#DEFINITION	Reference Metabolome for Sagittaria trifolia
#IDENTTFIER	RefMeta-Sagittaria trifolia.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Sagittaria trifolia
#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 Sagittaria trifolia was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5846
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	3.3
73.02921	2.7
77.03934	1.3
79.05498	48.9
79.05951	2.9
81.03425	8.3
81.07060	60.5
83.04984	7.8
83.08614	11.6
85.02905	9.3
85.06532	1.6
91.03967	4.9
91.05480	32.6
93.07044	45.0
93.07602	2.6
95.04964	18.5
95.08608	36.6
97.02905	8.7
97.06533	9.3
97.10170	10.5
99.04458	1.6
103.05460	1.9
105.04549	3.7
105.07035	25.1
105.07732	1.8
107.04945	11.1
107.08597	28.8
107.09261	2.7
109.02890	5.0
109.06512	11.6
109.10159	18.8
111.04455	3.9
111.08106	3.8
113.06022	1.8
115.05460	1.4
117.07017	13.0
119.08583	23.2
121.02873	3.8
121.06503	9.4
121.10159	18.9
123.04408	3.2
123.08063	6.5
123.11705	4.0
125.05983	2.6
125.09631	10.2
127.03914	3.6
128.06314	1.5
129.07013	5.3
131.08586	15.3
133.06516	4.0
133.10127	17.2
135.08058	11.6
135.11684	12.3
137.09654	4.3
137.13205	1.9
141.06996	1.7
143.08583	4.3
145.05025	3.6
145.06509	3.4
145.10135	12.9
147.08023	3.4
147.11682	7.8
149.06039	1.5
149.09671	3.9
149.13298	5.6
151.07562	2.1
151.11246	2.0
153.09105	4.2
153.12766	1.8
155.08553	2.5
157.10158	3.7
159.08055	7.7
159.11690	8.0
160.45546	1.3
161.09677	5.0
161.13290	3.4
163.06253	2.5
163.07573	10.3
163.11227	3.1
163.14833	2.8
165.09108	1.4
169.10130	3.2
171.11700	2.2
173.09631	3.6
173.13344	4.6
175.11197	3.8
175.14821	1.6
179.10730	3.6
183.11739	2.2
185.13260	3.3
187.11237	2.6
187.14812	3.3
189.11198	6.7
191.10716	2.4
193.12250	14.1
197.13319	2.2
215.14389	1.6
219.13873	2.4
220.82539	1.4
221.11784	1.6
227.12743	7.8
233.15356	8.5
243.17503	3.4
243.21217	2.9
251.16519	1.9
253.15916	1.4
259.20624	1.8
261.18570	3.6
261.22168	12.1
267.15854	2.3
271.16867	8.7
271.61053	1.4
273.18335	1.9
283.15518	1.8
289.17975	25.1
291.19406	3.3
307.19144	9.8
317.24817	3.4
321.64526	1.4
335.25797	100.0
363.21622	11.2
365.23184	1.8
381.22723	62.2
397.31201	2.9
458.42194	1.6
527.36713	1.6
543.36694	4.4
549.39539	1.8
623.43060	23.5
641.44098	94.6
642.44202	2.5
659.44922	4.0
785.48065	1.6
890.20593	1.5
890.76349	1.4
995.66345	1.8
1000.53601	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	1001.6564
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07378	2.2
71.08631	0.3
71.50595	0.1
76.66221	0.2
81.07047	0.3
83.08627	0.2
86.09708	28.2
87.10036	0.2
89.48225	0.2
92.70031	0.1
93.07042	0.2
98.23534	0.3
98.98465	2.2
99.85774	0.1
104.10743	2.5
125.00007	18.0
128.84708	0.2
143.01082	0.1
164.95981	0.1
184.07344	100.0
185.07744	0.4
229.57687	0.3
311.26035	0.2
313.27322	1.2
345.19394	0.2
366.84961	0.2
502.97534	0.2
504.34308	1.8
522.35577	24.4
523.35864	0.3
843.93005	0.2
928.33136	0.2
936.21936	0.2
1001.51093	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	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45939	2.3
69.46348	5.4
71.04995	5.4
77.03925	2.7
79.05495	60.8
81.03422	15.3
81.07056	92.0
83.04986	11.4
83.08610	17.0
85.02892	10.7
85.06539	2.6
91.03949	4.7
91.05480	48.4
91.06052	2.3
93.07045	56.6
95.04971	24.4
95.08602	47.9
97.02903	6.0
97.06516	13.4
97.10175	18.9
98.22659	2.7
99.04507	2.4
99.08105	2.4
101.09634	1.4
103.05475	3.0
105.04536	4.0
105.07036	31.0
107.04969	11.9
107.08590	32.4
107.09255	2.4
109.06528	18.3
109.10156	20.6
111.04449	9.3
111.08054	6.5
113.06047	1.6
115.05442	1.8
117.07026	18.0
119.08575	30.2
121.06503	7.8
121.10151	28.4
123.08075	19.4
123.11729	3.6
125.06074	1.9
125.09624	14.2
127.03942	3.9
127.07596	1.4
128.06232	2.8
129.06979	7.0
131.08563	26.3
133.06511	3.9
133.10114	18.9
135.08081	9.9
135.11699	15.3
137.09630	5.5
139.11185	3.5
143.08614	7.3
145.06500	2.8
145.10132	21.1
147.08043	9.1
147.11682	11.7
149.09602	8.6
149.13309	6.4
151.11180	1.7
153.09148	2.7
153.12776	4.2
155.08559	3.2
157.10115	8.2
159.08025	2.2
159.11682	9.8
161.09659	10.0
161.13319	5.1
163.11195	13.4
163.14803	1.7
165.09164	3.9
165.12802	2.4
167.10782	1.3
169.10149	2.5
171.10275	2.2
171.11722	4.8
173.09624	3.5
173.13274	5.7
175.11209	4.4
175.14880	2.0
177.12836	3.5
181.10173	1.5
181.12282	5.3
184.76060	1.5
185.13283	4.2
187.14815	3.6
189.11238	13.9
189.12648	2.3
189.16273	1.5
191.10690	4.4
193.12215	4.4
195.11681	2.8
197.13145	1.9
199.11215	2.0
199.14806	1.9
209.11641	2.0
213.12607	1.7
223.13319	3.4
227.12746	15.9
227.14296	1.4
243.21074	3.1
245.19075	4.2
255.17410	4.3
259.20560	2.6
261.18787	1.2
261.19672	1.5
261.22076	10.3
267.16016	3.2
269.17642	2.1
273.18494	37.0
275.20087	2.9
283.15561	2.1
289.17947	3.0
291.19559	65.2
299.23608	1.5
309.20544	13.9
317.24832	1.8
333.24152	4.1
335.25806	100.0
336.26190	2.0
337.27240	3.0
339.56439	1.5
347.22195	14.3
365.23257	39.7
374.08356	1.6
375.22653	1.4
383.24280	35.2
387.81744	1.7
435.23343	1.5
489.35742	1.9
527.37207	3.1
529.38727	5.9
533.40070	2.5
545.38068	2.4
551.40973	2.4
561.37250	1.6
607.43317	12.8
625.44580	73.9
626.45154	2.0
643.45642	71.1
644.45471	1.8
677.07623	1.8
688.53101	1.5
787.48926	3.0
1002.54218	2.2
1003.55298	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	1002.6
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	2.7
73.02923	1.9
77.03914	2.1
79.05492	49.8
81.03424	9.9
81.07055	70.9
83.04987	8.0
83.08614	11.7
85.02900	7.8
85.06532	3.7
87.90949	1.0
91.03943	2.9
91.05481	34.8
92.05779	0.9
93.07041	47.1
95.04958	17.0
95.08604	37.7
95.09212	2.1
97.02881	4.5
97.06535	10.7
97.10171	14.7
97.52354	0.9
99.04394	1.6
99.08109	2.3
103.05486	2.0
105.04520	3.6
105.07026	22.8
107.04946	7.9
107.08590	27.9
107.15237	0.9
109.06516	15.1
109.07214	1.3
109.10155	15.8
111.04430	5.9
111.08100	5.4
115.05471	1.3
117.07012	11.2
119.04974	1.3
119.08578	20.3
121.06506	4.9
121.10143	19.2
123.08065	13.0
123.11694	3.6
125.09630	12.6
127.03893	2.6
128.06230	1.3
129.05478	1.4
129.07022	6.6
131.08569	14.8
133.06483	1.8
133.10141	12.6
135.08052	6.6
135.11682	12.9
137.09628	4.7
139.11185	1.9
141.07048	1.3
142.07709	1.7
143.08546	5.4
145.04965	2.1
145.06473	1.9
145.10133	15.0
147.08060	7.3
147.11710	8.5
149.09615	5.8
149.13255	5.8
151.11206	1.4
153.09085	1.7
153.12773	3.2
155.08571	1.7
157.10100	5.5
159.08051	3.6
159.11723	8.2
161.09593	7.2
161.13280	3.7
163.11185	8.9
163.14807	2.3
165.09160	2.8
169.10182	1.4
171.10297	1.3
171.11681	4.1
173.04425	1.5
173.09637	2.6
173.11771	0.9
173.13251	3.6
175.11209	4.2
177.12733	2.1
181.12247	3.5
183.11771	1.1
185.09541	1.5
185.13245	2.1
187.11095	1.1
187.14876	1.6
189.11258	8.4
189.12737	2.3
191.10669	2.7
193.12202	1.7
195.11670	1.9
199.14851	1.0
201.12802	0.9
201.16368	1.3
220.87630	0.8
223.13315	2.4
227.12733	10.2
227.17957	1.5
241.14230	1.5
243.20966	1.8
245.19052	2.9
245.41965	0.9
255.17529	1.7
257.19003	1.0
259.20557	3.7
261.22147	7.0
263.20227	1.0
267.16061	2.1
273.18491	22.9
273.51062	1.0
275.20071	3.2
283.15204	2.0
290.18246	1.2
291.19525	36.6
307.19696	1.1
309.20685	6.2
317.24692	1.7
333.24121	2.4
335.25790	100.0
336.26309	1.6
337.27188	1.7
347.22177	10.6
349.23822	1.5
365.23239	29.7
383.24301	16.0
440.15622	0.9
489.35910	1.2
505.34952	2.3
509.77151	1.0
527.36926	1.7
529.38843	6.9
533.39606	1.1
545.37823	1.3
551.40839	1.8
553.38190	1.2
557.37506	1.4
561.37726	1.8
597.44647	1.9
607.43585	10.6
624.42780	1.4
625.44592	63.6
643.45660	53.3
769.48132	1.5
787.50067	4.5
806.61115	1.0
1002.56171	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	1005.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
69.86473	0.2
83.31358	0.2
86.09681	0.3
95.08553	0.2
96.53195	0.2
109.00111	0.2
124.46415	0.2
151.98703	0.2
154.94246	0.3
184.07292	1.0
210.97670	0.3
396.12051	0.3
397.13083	0.6
410.13452	0.4
411.14612	1.9
412.15466	1.9
413.16022	1.4
423.14700	0.5
424.15335	1.0
425.16373	5.0
426.16925	3.2
427.17609	0.9
428.18521	1.4
437.16281	0.4
438.12579	0.4
438.17557	0.6
439.13858	10.7
440.13364	0.3
440.18921	4.0
441.19315	23.0
442.19595	0.5
452.14377	1.0
453.15424	12.8
454.16052	3.2
455.21396	0.5
457.15057	0.3
458.19556	0.3
459.20114	0.3
463.13995	0.3
466.16608	0.3
467.17096	10.9
468.17999	8.8
469.18976	3.8
470.16248	0.3
471.16681	0.5
472.17807	0.3
480.17560	0.7
481.15289	2.4
481.19916	0.3
485.18277	0.8
486.18945	0.5
495.20151	1.2
496.17133	1.7
497.18423	0.7
498.18640	0.3
499.20346	1.1
508.19427	0.3
509.18906	0.4
512.20380	0.7
513.21301	0.7
514.22198	4.0
521.22601	0.3
526.19092	0.3
527.23291	3.3
528.23663	0.7
542.21497	0.3
545.23926	0.6
555.22455	43.8
556.22668	1.5
583.22003	14.3
584.21997	0.6
586.20392	1.4
587.25110	2.4
614.23578	1.5
615.24548	12.0
628.21216	0.3
628.47101	0.3
643.24030	100.0
644.24341	3.0
1005.53503	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01350	0.7
73.02931	2.0
79.05512	1.9
81.03426	0.9
81.07079	2.4
85.02900	3.0
86.21557	0.5
91.03978	1.5
91.05504	1.0
93.07064	2.0
95.04975	0.7
95.08633	1.5
97.02908	3.5
97.06554	0.8
101.02428	1.1
105.07055	1.0
107.08609	1.1
109.10170	0.6
121.10175	1.0
127.03977	1.1
130.81229	0.5
131.08572	0.6
135.11740	0.7
173.09979	0.6
184.07323	0.6
243.08470	1.7
292.86557	0.5
347.09775	1.5
347.18469	1.3
362.35052	0.6
365.10611	0.6
405.13565	4.5
519.29486	3.7
560.59308	0.6
565.25940	2.6
681.34113	3.4
727.31781	2.2
1005.53912	100.0
1006.53253	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	1005.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01361	0.4
73.02906	2.5
79.05502	1.9
80.32826	0.4
81.03439	1.1
81.07066	2.9
85.02910	3.6
91.03977	1.7
91.05502	1.0
93.07079	1.6
95.05000	0.5
95.08637	1.5
97.02888	3.2
99.04536	0.4
101.02399	1.1
105.07040	0.9
106.32673	0.4
107.08644	1.2
109.02929	0.8
110.51429	0.4
114.82646	0.3
117.07040	0.8
121.10190	0.6
127.03988	1.3
133.10147	0.8
134.52570	0.4
140.32899	0.4
145.10210	0.5
203.05392	0.6
243.08548	1.6
259.08075	0.5
334.65668	0.4
335.25809	0.9
342.35730	0.4
347.09628	1.4
347.18442	1.8
363.09070	0.5
365.10797	0.9
405.13687	4.8
421.13501	0.5
441.17264	1.0
479.22632	0.8
483.85172	0.5
519.29224	5.8
565.26544	1.4
603.22675	0.8
681.34576	7.0
727.31262	1.2
757.44427	0.7
843.49304	0.7
881.45361	1.7
919.50671	1.2
985.40179	0.5
1005.53912	100.0
1006.53564	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	1006.5739
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	18.6
81.03423	4.3
81.07056	27.1
83.04996	3.7
83.08623	3.6
85.02915	2.2
85.06568	1.4
91.03940	1.0
91.05472	18.2
93.07044	12.7
95.04963	10.5
95.08601	5.9
97.02934	1.6
97.06562	2.6
97.10170	5.4
105.04564	2.3
105.07021	9.5
107.04967	5.4
107.08589	10.1
109.02819	1.0
109.06559	3.5
109.10180	4.1
111.04503	2.7
111.08086	2.1
115.05463	1.9
117.07008	5.3
119.04968	2.6
119.08574	9.9
121.06514	5.5
121.10131	6.0
123.04467	1.9
123.08060	4.5
125.06001	1.1
125.09644	5.7
128.06245	1.0
129.07056	4.0
131.08574	6.7
133.06572	3.2
133.10197	4.0
135.04463	2.3
135.08104	2.7
135.11739	3.5
137.06003	11.8
137.09680	1.1
143.08607	1.8
145.06535	2.4
145.10164	5.8
147.04443	2.9
147.08044	6.6
147.11717	2.3
149.06032	2.3
149.09697	3.4
153.12781	1.6
155.08615	1.1
157.10185	3.7
158.06868	1.0
159.08133	1.5
159.11742	2.6
161.06035	4.8
161.09647	4.7
163.07582	2.0
163.11201	6.2
169.10124	1.3
173.06036	2.4
173.41032	0.9
175.07614	3.2
175.11232	1.9
176.07153	1.1
179.10759	1.0
181.12375	1.7
185.09651	1.2
187.07530	2.0
189.09200	2.1
189.11287	1.7
191.07370	1.1
191.10669	1.4
199.07646	1.3
221.92294	1.1
223.13344	1.1
227.12820	1.6
227.18164	1.0
245.19086	1.1
249.14871	1.8
257.15384	1.4
273.18512	7.0
285.15051	2.5
291.19531	8.6
299.16666	1.0
302.17639	3.8
303.16031	1.6
303.55185	0.9
355.97754	1.0
365.23514	1.2
438.92648	1.0
518.31091	1.5
781.11255	1.1
808.49744	5.8
826.50702	13.5
844.51996	75.2
845.51935	1.2
886.53900	1.5
898.58502	1.1
922.52698	1.9
952.54523	1.6
970.55157	5.1
988.56763	7.6
1006.57269	100.0
1007.57983	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	1007.5555
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.3
71.04985	0.5
73.02914	1.8
73.20846	0.2
79.05497	1.6
81.03423	0.8
81.07053	2.0
83.08665	0.4
85.02908	4.0
87.04484	0.2
91.03951	2.0
91.04435	0.2
91.05494	1.1
93.07049	1.6
95.04999	0.6
95.08637	1.0
97.02895	3.8
97.10189	0.3
99.04496	0.8
101.02386	1.1
105.07063	0.6
107.08637	0.6
109.02921	0.4
109.06560	0.2
109.10188	0.7
117.07077	0.3
119.08604	0.5
121.10195	0.9
123.49538	0.2
125.09618	0.3
127.03895	1.5
131.08629	0.4
135.08099	0.2
135.11687	0.4
145.10156	0.3
159.11786	0.3
185.04308	0.9
194.99968	0.2
201.03857	0.4
203.05367	0.7
208.38666	0.2
214.05820	0.2
226.40541	0.3
243.08345	2.0
259.07913	0.3
301.09103	0.2
315.10764	0.3
332.36447	0.2
335.26077	0.3
347.09445	2.3
349.19894	1.5
363.09341	0.8
365.10910	0.7
405.13724	5.0
405.22427	0.4
479.22629	0.4
519.29303	4.5
549.27057	0.3
567.27747	4.1
591.31049	0.3
601.23981	0.3
613.25098	0.4
642.11810	0.3
681.34589	4.7
729.32782	2.8
729.44342	0.3
753.37726	0.5
777.93427	0.3
845.50427	1.1
919.50714	0.4
1007.55438	100.0
1008.55316	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	1007.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	0.4
71.05015	0.4
73.02917	2.4
74.94653	0.1
75.04515	0.1
78.52063	0.1
79.05499	1.7
81.03411	1.3
81.07057	2.1
81.07494	0.2
83.04995	0.3
83.08634	0.3
85.02908	4.0
85.03411	0.2
87.04475	0.3
91.03955	2.2
91.04488	0.1
91.05492	1.1
93.07047	1.9
93.07594	0.2
95.04994	0.5
95.08609	1.6
97.02895	4.3
97.06567	0.2
97.10175	0.3
98.23475	0.4
99.04482	0.6
101.02367	1.3
103.03942	0.3
105.04529	0.3
105.07031	0.8
106.49290	0.1
107.04987	0.1
107.08572	0.9
109.02871	0.6
109.06536	0.2
109.10176	0.8
111.04468	0.2
111.08111	0.2
115.03973	0.4
115.43309	0.1
117.07056	0.3
119.08594	0.6
121.10148	0.8
123.08069	0.3
123.11691	0.2
125.09652	0.2
127.03925	1.4
129.05516	0.1
131.08620	0.4
133.10175	0.5
135.11743	0.4
145.05008	0.4
145.10127	0.3
147.11778	0.2
149.13303	0.2
159.11688	0.1
161.13313	0.1
163.11157	0.2
165.65962	0.1
185.04161	0.7
201.03815	0.4
201.07729	0.1
203.05336	0.6
240.95973	0.1
241.06941	0.1
243.08423	1.8
255.35434	0.1
259.07971	0.3
261.22211	0.2
284.70361	0.1
301.08987	0.2
301.20441	0.1
319.09894	0.1
327.34866	0.1
329.08298	0.2
335.25836	0.5
347.09521	2.4
347.13382	0.2
349.19858	1.9
363.09088	0.6
365.10516	0.8
403.12347	0.2
405.08304	0.3
405.13669	5.6
405.22601	0.3
463.14709	0.3
477.15744	0.2
497.20386	0.3
519.29291	5.5
535.16455	0.3
545.22449	0.2
567.27893	2.5
591.31110	0.2
613.25061	0.3
681.34534	7.2
682.35052	0.2
729.32813	1.5
753.36737	0.4
767.37268	0.1
823.44604	0.2
845.50403	1.0
891.47046	0.3
1007.55408	100.0
1008.55518	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	1007.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	0.1
71.07371	2.2
79.05474	0.2
81.07045	0.4
86.09706	28.0
87.10043	0.1
93.07066	0.2
95.08603	0.2
96.91988	0.1
98.23411	0.2
98.98460	2.4
104.10741	3.6
107.08629	0.1
109.10191	0.1
117.02313	0.1
125.00002	19.3
143.01065	0.1
145.15198	0.1
146.98161	0.2
166.02661	0.1
184.07339	100.0
185.07744	0.5
258.11066	0.3
325.40845	0.1
335.25867	0.1
445.04904	0.1
500.31409	1.9
518.32434	23.3
519.32690	0.5
540.30554	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51521	1.5
56.96569	6.0
60.04536	2.3
60.60259	1.6
62.28388	1.6
65.99003	2.0
68.76868	1.5
69.80132	4.6
79.01870	2.3
82.01455	3.2
82.99847	4.8
83.01485	8.3
84.01203	4.2
89.04066	2.0
91.08891	1.5
100.02486	6.0
101.00893	39.0
101.02572	20.1
101.75310	1.6
102.00964	1.8
102.02267	7.9
118.03529	6.3
119.01928	100.0
119.03670	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	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25819	1.4
55.05514	1.9
56.10307	1.5
56.96563	2.3
60.04512	3.8
69.63879	4.0
74.06074	2.8
82.99840	2.7
83.01518	2.1
85.02892	1.6
89.00262	1.6
98.00782	2.3
100.02450	2.2
101.00880	28.1
101.02562	6.7
101.07909	2.5
102.02217	2.5
102.05547	2.9
102.09171	5.6
102.12813	1.7
119.01917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
56.05029	3.1
56.96566	6.3
57.03413	1.1
59.04998	1.6
67.51060	1.3
71.00637	1.4
73.50233	0.9
74.02426	1.4
74.06043	0.9
79.01841	1.9
82.99850	3.5
83.01522	1.6
84.01191	1.2
84.04509	1.6
84.08156	1.1
85.02916	6.1
95.28283	1.0
98.97594	1.0
100.02483	3.3
100.98009	1.2
101.00884	36.1
101.01549	2.1
101.02534	7.0
102.00975	1.4
102.02230	2.1
102.04690	2.1
102.05511	2.1
111.53251	1.1
118.03529	1.3
119.01920	100.0
119.03644	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	101.0089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.2
55.05521	11.2
56.04779	3.0
56.05040	39.4
56.96563	18.1
57.07071	12.7
58.06592	6.3
59.04996	10.0
59.93113	2.7
59.95477	2.3
60.04522	8.8
60.05645	4.9
60.08165	5.5
60.95836	3.6
67.05469	2.3
67.51073	6.5
73.02921	4.6
74.02438	11.3
74.06084	11.9
74.09728	3.2
76.51599	2.7
79.01860	5.2
83.04976	5.2
84.04504	13.4
84.08146	32.0
85.02913	7.8
85.06530	3.3
85.07687	4.4
88.02377	2.8
89.00250	8.3
98.00769	4.3
100.02460	2.4
100.98927	2.3
101.00879	20.1
101.02501	8.1
101.06030	7.9
101.07145	20.2
101.07953	10.5
101.10783	75.1
101.11554	6.1
102.05542	18.1
102.09215	13.1
102.10315	8.8
102.12794	4.8
117.95987	3.2
119.01922	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.6414
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06591	0.1
71.07375	2.3
79.05448	0.1
80.97437	0.1
81.07056	0.4
83.08606	0.1
84.65384	0.1
86.05447	0.1
86.09707	27.3
93.07079	0.1
95.08600	0.2
98.22776	0.1
98.98466	2.6
100.82153	0.1
102.00964	0.1
104.10744	2.6
109.10162	0.1
119.08601	0.1
125.00002	19.1
140.09763	0.1
143.01030	0.1
163.01495	0.1
166.02725	0.1
170.57596	0.1
184.07341	100.0
185.07709	0.3
208.31424	0.1
212.20322	0.1
258.11026	0.2
337.27240	0.1
407.20813	0.1
502.32922	2.1
520.33984	26.6
521.34186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1015.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07372	4.6
77.45146	0.5
79.05499	6.9
81.07056	12.6
83.08634	1.2
86.09710	25.0
91.05495	3.7
93.07049	7.4
95.04993	1.1
95.08610	8.6
99.49059	0.5
104.10746	14.5
105.07053	1.8
107.08601	4.0
109.10149	4.7
119.08622	1.8
121.10171	3.2
123.11719	1.1
124.99997	1.0
129.85106	0.5
131.08572	1.5
133.10138	1.2
135.11720	1.7
145.10233	0.6
146.98181	45.2
147.11745	0.7
149.13245	0.9
150.30307	0.5
159.11749	0.6
161.13284	0.8
164.99268	0.9
173.13315	0.6
184.07376	5.2
188.00826	0.6
188.17566	0.5
256.71683	0.6
272.33414	0.5
279.48764	0.6
301.91812	0.5
310.17374	0.5
334.08224	0.5
335.25803	11.1
357.23865	2.5
473.05011	0.6
481.23267	35.3
540.30627	100.0
541.31036	1.6
585.69916	0.6
896.76593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1017.688
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07375	3.3
71.08630	0.3
81.07041	0.3
83.08617	0.2
85.10181	0.2
86.09706	30.6
87.10046	0.1
87.98080	0.1
95.08611	0.2
98.22607	0.2
98.97818	0.1
98.98466	2.7
104.10741	27.4
109.10171	0.1
113.53674	0.1
125.00002	19.4
139.01561	0.2
141.12897	0.1
143.01067	0.2
163.01590	0.3
175.32237	0.1
181.02544	0.1
184.07339	100.0
185.07684	0.4
198.08917	0.8
258.11118	0.4
313.27289	0.8
438.49390	0.1
478.32980	2.3
496.33969	28.5
497.34433	0.4
504.34552	1.2
510.35178	0.6
522.35559	22.3
523.36047	0.3
536.37158	0.3
553.33716	0.1
625.45837	0.6
679.40198	0.3
680.92352	0.1
994.49695	0.1
1017.68787	5.9
1018.68292	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	1024.5399
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04987	1.6
73.02931	1.8
79.05489	26.1
79.05932	1.5
80.94184	1.3
81.03434	3.1
81.07051	29.5
83.04992	2.3
83.08644	5.0
85.02942	3.6
91.05483	22.0
91.05980	1.8
93.07057	13.6
95.04971	12.6
95.08610	8.3
97.02934	3.3
97.06572	2.5
97.10222	4.4
105.07024	12.8
107.04974	6.7
107.08604	9.3
109.06565	5.4
109.10202	4.2
111.04476	2.0
115.05428	1.7
117.07025	9.0
119.04955	3.2
119.08582	14.0
119.17464	1.3
121.06572	3.8
121.10136	6.9
123.04501	2.5
123.08110	5.6
125.09700	5.1
128.06213	2.4
129.07054	5.0
131.08572	10.0
133.06561	4.5
133.10173	6.0
135.08112	3.8
135.11702	2.9
136.07634	1.4
137.05977	16.5
137.06837	1.4
143.08546	3.2
145.06548	2.2
145.10130	8.4
147.04471	3.2
147.08047	7.7
147.11765	2.6
149.06058	3.8
149.09636	7.0
150.27907	1.3
151.11119	1.4
153.07021	1.4
157.06555	3.1
157.10179	3.9
159.08131	3.1
159.11781	3.4
161.05991	6.7
161.09676	4.0
163.07632	2.7
163.11250	4.4
171.11748	2.1
175.07657	5.2
175.11186	2.3
176.29633	1.5
187.07629	3.1
190.08487	1.5
195.11772	2.0
199.11197	1.8
249.15086	1.5
273.18488	11.1
291.19592	9.6
302.17630	4.6
303.15921	2.7
334.40253	1.6
338.24478	1.4
369.78226	1.6
396.36627	1.5
518.31506	2.5
633.72949	1.5
808.49683	3.5
826.47693	3.3
844.47498	16.6
862.48553	82.1
863.49396	3.4
940.49713	1.8
970.29919	1.5
970.52869	3.4
988.52197	3.8
1006.53094	14.3
1013.05048	1.6
1024.54004	100.0
1025.53723	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	1025.6566
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07365	5.4
71.46387	0.4
75.96198	0.2
79.05473	0.6
79.69485	0.3
81.07056	2.2
86.09703	47.0
91.05451	0.4
93.07041	0.8
95.08585	1.6
97.10176	0.3
98.98466	3.2
104.10739	86.7
105.07032	0.3
105.11072	0.4
107.08576	0.5
109.10181	0.7
119.08563	0.4
123.11693	0.3
124.99999	27.5
142.50333	0.3
146.98210	0.8
163.01541	0.8
166.02750	0.3
184.07333	100.0
185.07706	0.3
258.11084	0.7
337.27365	1.0
365.04889	0.3
394.84348	0.3
443.25375	0.5
483.24728	0.9
484.24878	0.6
502.32919	7.6
520.33972	88.6
521.34387	1.0
542.31927	1.5
543.32635	1.3
894.86371	0.3
1025.55518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1026.6046
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07384	3.1
71.46345	0.4
72.23176	0.3
81.07052	0.7
86.09709	29.2
95.08655	0.4
98.98468	3.3
104.10742	4.3
125.00010	22.1
146.98216	0.4
184.07350	100.0
256.70450	0.4
502.32922	1.2
520.34039	18.6
542.31927	0.6
568.85229	0.3
578.24463	0.3
586.36847	0.3
795.10986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.8
53.03950	7.6
58.06597	2.7
59.07374	0.8
60.07870	1.4
60.08167	26.1
60.72662	0.7
60.95852	0.7
69.03440	1.6
77.03933	11.4
81.03407	0.7
85.32575	0.6
86.06077	2.3
86.09718	2.2
86.53213	0.6
87.04471	2.9
95.04972	33.7
102.04682	3.4
103.05474	100.0
104.05827	2.3
104.10747	84.8
105.04521	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	1034.6514
Annotation	Unknow
Peak:m/z	Relative Intensity
77.33385	0.2
77.71438	0.2
79.05481	0.3
79.65032	0.2
81.07054	1.3
83.08620	1.1
85.10187	1.6
86.09702	19.6
95.08593	2.0
97.10167	0.4
98.98478	0.2
104.10738	96.2
105.11045	0.3
107.95930	0.2
109.10156	0.7
123.11674	0.5
125.00017	0.7
136.93130	0.3
146.98174	16.4
150.42329	0.2
154.94138	0.2
164.99310	0.3
172.95273	0.4
176.99265	0.6
184.07355	1.6
188.00829	0.4
190.96274	0.2
198.05544	0.2
198.96866	0.3
228.97931	0.2
239.23630	0.3
247.25835	0.2
313.27344	10.0
337.20657	0.3
356.99744	0.2
415.22089	1.3
459.24808	36.6
460.25067	0.4
475.21234	0.4
496.33862	0.3
518.32153	100.0
519.32410	0.9
528.32086	0.6
544.33636	0.3
775.98395	0.9
776.48633	0.5
818.50983	0.2
973.52789	0.5
1034.57996	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1037.6071
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02920	0.5
79.05483	0.9
81.07063	0.9
85.02924	0.9
91.03928	0.4
91.05449	0.6
92.69780	0.4
93.07029	0.6
95.08592	0.7
97.02885	0.8
98.22721	0.5
101.02373	0.4
105.07016	0.5
107.08595	0.5
119.08614	0.4
130.91713	0.3
130.93285	2.0
148.94360	0.7
185.04193	0.5
243.08336	0.4
318.05890	0.4
331.01703	0.5
333.20633	0.4
337.81451	0.4
349.02576	0.6
395.21219	0.4
405.13757	1.1
415.10648	0.5
431.14328	1.0
433.15732	1.0
441.27039	0.3
449.15097	0.6
451.16843	2.6
469.17410	0.4
551.28314	0.6
565.26208	0.6
635.29596	0.4
699.35675	0.9
713.32629	0.6
715.35583	0.7
717.37738	4.9
733.36536	3.1
735.38232	5.6
758.40338	0.6
877.47552	1.6
886.48810	0.8
887.49097	0.5
905.17529	0.4
983.56787	2.9
1001.58435	6.5
1019.59790	7.4
1024.58337	0.5
1037.61023	100.0
1038.61169	4.2
1042.60364	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.3
58.06599	3.9
59.07381	1.0
60.08164	37.4
61.08502	0.5
62.92982	0.3
69.03433	0.7
74.06052	0.2
86.06077	0.7
87.04470	2.3
98.22664	0.8
104.10743	100.0
105.07024	0.6
105.11074	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	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06600	3.4
59.07378	1.3
60.08163	37.0
61.08501	0.5
69.03416	0.2
69.58164	0.5
86.09707	0.1
87.04455	0.3
104.10743	100.0
105.10438	0.3
105.11074	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	3.2
59.07381	1.1
60.08163	34.8
61.08488	0.4
61.63294	0.1
64.00557	0.2
70.14067	0.4
86.09673	0.2
87.04482	0.3
104.10742	100.0
105.11070	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	105.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	0.5
51.02385	0.9
53.03949	3.4
60.04519	1.3
60.08160	1.5
61.08507	1.8
66.69572	0.3
70.23087	0.9
77.03927	4.4
79.05496	39.2
80.05827	0.5
80.71630	0.3
85.45960	0.3
88.04804	0.7
95.04974	17.4
103.05471	26.5
104.05820	0.7
105.04537	7.8
105.07033	100.0
105.10458	0.6
105.11073	9.1
106.06647	0.7
106.07363	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	105.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.4
51.02386	0.8
51.52088	0.3
53.03943	3.9
53.81149	0.3
60.04510	0.4
60.08167	0.3
61.08500	0.3
66.04825	0.3
66.72625	0.3
70.84800	0.4
77.03925	5.1
79.05493	39.1
80.05824	0.9
84.80866	0.3
95.04967	16.9
96.05284	0.5
103.05468	30.2
104.05809	0.5
105.04533	8.4
105.07028	100.0
105.11042	1.6
106.06599	0.6
106.07349	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01589	0.4
51.02372	1.0
52.65488	0.3
53.03733	0.3
53.03948	3.5
56.34857	0.3
60.04519	0.8
60.08178	1.7
61.08232	0.3
61.08498	2.0
69.23109	0.8
69.23522	1.1
72.16125	0.3
77.03927	4.9
79.05492	38.6
80.05814	0.7
81.19172	0.3
95.04967	17.0
96.05298	0.6
98.23507	0.5
103.05468	28.7
104.05764	0.7
105.04530	8.7
105.07028	100.0
105.10436	0.9
105.11068	11.5
106.06556	1.4
106.07363	3.0
112.58688	0.3
112.75369	0.3
117.58467	0.3
118.61161	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
77.52197	0.6
113.02106	1.5
131.43710	0.8
150.13791	0.7
153.12492	0.8
153.85948	0.7
176.04550	2.6
185.04309	3.0
197.55051	0.7
201.03725	1.1
203.03157	11.8
204.03859	3.5
212.84752	0.9
217.04802	1.2
219.06262	8.5
219.69200	0.7
224.34068	0.7
231.06436	3.1
247.05797	5.0
248.06699	0.8
286.08228	1.0
353.09897	0.8
373.70108	0.8
379.11530	0.9
381.11673	1.3
393.11603	4.8
409.12338	3.0
410.13358	1.6
421.12720	1.6
422.13876	1.1
424.11520	1.9
425.12415	1.2
438.13101	3.3
439.13675	3.7
440.14401	7.5
511.16174	3.3
563.17755	1.3
663.21130	1.3
664.21124	8.4
665.21960	3.3
673.21271	1.0
826.26508	24.4
827.27179	1.1
889.28748	9.6
1021.33942	2.4
1051.34143	100.0
1052.34717	3.9
1057.91675	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05505	0.7
104.10753	1.5
120.08130	0.8
125.67490	0.5
146.75955	0.6
197.10689	0.6
204.06543	0.6
209.10854	1.3
210.11563	1.4
212.13222	0.7
221.10750	0.9
222.11516	0.6
223.12361	1.8
224.13161	1.3
225.06618	0.6
225.10249	1.0
225.13858	4.3
226.14630	1.0
235.12279	1.2
236.13072	0.6
237.10242	1.1
237.13879	2.9
238.14795	0.7
239.15538	0.9
249.10275	0.9
249.13927	1.7
251.08109	2.5
251.12022	0.6
265.13254	0.6
269.12796	1.0
275.15543	0.9
284.15274	0.6
311.14294	0.6
314.16663	0.6
316.14740	1.1
327.13849	0.7
337.12100	1.0
340.14560	0.8
350.12735	0.6
354.12238	0.7
366.16174	1.1
388.17178	0.7
389.17932	0.8
398.14874	0.9
399.19434	0.7
401.18243	0.6
403.15228	1.0
403.19781	0.9
404.20236	0.7
405.21356	0.7
416.16931	0.9
417.16895	4.0
418.17853	2.9
419.18628	1.8
419.23087	1.1
427.18948	0.9
429.17203	1.1
430.18713	1.1
431.18753	3.6
432.19208	3.5
433.20160	6.4
443.18665	1.3
444.19885	1.3
445.16226	1.6
445.20956	1.6
446.16614	0.8
446.21582	0.8
447.21838	13.4
448.22702	0.8
454.17871	1.6
458.16653	0.8
459.17337	1.1
459.22327	1.7
460.18707	1.2
461.19308	1.0
471.18109	0.6
474.20630	2.4
475.21344	31.0
476.22110	7.7
477.22607	0.8
487.21704	3.6
489.23132	1.6
501.22897	1.0
503.20422	4.3
505.22769	0.8
507.24158	0.8
515.20929	1.8
519.24097	2.4
521.22040	0.7
521.25372	0.7
522.22949	0.6
529.22327	2.1
533.25531	1.7
534.26178	1.8
535.23395	22.5
547.23505	4.3
549.24976	2.7
561.25037	35.5
562.25580	9.0
563.26392	4.5
579.26373	1.5
589.24420	2.0
590.25464	2.2
607.25708	2.0
621.27106	85.7
622.27887	100.0
623.28131	3.2
1033.40356	1.0
1059.49109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.618
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09725	0.1
91.92645	0.1
104.62273	0.1
156.59834	0.1
184.07373	0.2
185.04185	0.5
203.05244	1.0
259.07822	0.5
291.47269	0.1
301.20163	0.2
324.99734	0.1
375.24872	0.2
390.40262	0.1
447.21906	0.1
462.24353	0.1
475.21384	0.3
476.21606	0.1
535.23492	0.3
537.30334	100.0
538.30542	2.4
621.27258	0.4
622.27783	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1055.6493
Annotation	Unknow
Peak:m/z	Relative Intensity
81.34165	0.1
86.09712	0.1
104.10741	0.1
136.88768	0.1
184.07396	0.1
185.04193	0.4
203.05275	1.1
259.07965	0.6
321.22699	0.1
377.26724	0.2
539.31873	100.0
540.24640	0.1
540.32196	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.6368
Annotation	Unknow
Peak:m/z	Relative Intensity
76.89401	0.1
77.03970	0.2
79.05492	3.1
81.07058	11.8
83.04977	0.5
83.08620	3.3
85.06567	0.3
86.09708	25.5
87.10051	0.2
91.05486	2.5
93.07043	3.4
95.04980	0.3
95.08607	9.6
97.06538	0.8
97.10169	2.3
99.08128	0.2
104.10744	8.3
105.07040	1.9
105.11134	0.2
107.08594	2.1
109.06449	0.2
109.10162	3.8
111.08083	0.5
111.11734	0.4
119.08593	1.6
121.10155	1.6
123.08073	0.2
123.11720	1.7
125.00004	1.2
125.09556	0.2
133.10120	1.5
135.11684	1.2
136.93134	0.3
137.13263	0.5
138.52975	0.2
139.01581	0.2
146.98181	43.0
147.11703	0.8
149.13289	0.5
151.11169	0.3
151.14827	0.3
153.12753	0.2
154.94167	0.3
161.13252	0.8
163.14830	0.4
164.99225	0.7
172.95177	0.2
175.14848	0.5
177.16376	0.2
180.95755	0.3
181.02617	0.3
181.16051	0.2
184.07339	1.2
188.00853	0.5
189.16393	0.2
189.89023	0.1
198.08876	0.2
198.96791	0.7
216.97917	0.3
240.10042	1.1
245.22725	0.2
263.23709	0.5
278.93579	0.2
319.19397	0.4
337.20685	0.6
337.27365	15.9
338.27567	0.3
359.25708	1.3
364.40433	0.2
455.18802	0.2
461.67380	0.2
473.19931	0.4
483.24820	32.2
484.25043	0.6
502.33011	0.2
520.34668	0.2
539.31396	4.0
539.81537	1.9
540.31342	0.4
542.32172	100.0
543.32611	1.9
798.97821	3.4
799.48035	3.7
799.98334	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1056.6368
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05494	1.4
81.07056	5.4
83.08624	1.5
85.06538	0.5
86.09710	16.9
87.28046	0.5
91.05463	0.8
93.07026	1.7
95.08620	4.0
104.10747	78.4
105.07038	1.2
105.11025	0.5
107.08599	0.9
109.10166	2.0
119.08609	0.7
121.10134	0.7
123.11684	0.5
146.98186	19.3
176.99303	0.6
184.07417	0.6
226.47360	0.6
308.80484	0.5
337.27359	6.7
439.22394	1.3
483.24832	35.5
484.25272	0.9
542.32190	100.0
543.32495	1.6
686.92957	0.6
704.26660	0.6
1056.52917	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1060.6671
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05490	2.4
79.28415	0.2
81.07058	6.4
83.04964	0.3
83.08624	6.6
85.06548	0.4
85.10202	0.8
86.09706	27.4
87.82472	0.2
91.05491	0.4
91.76177	0.2
93.07043	4.1
94.19946	0.2
95.08604	6.6
97.06510	1.4
97.09589	0.3
97.10174	4.0
97.66074	0.2
98.22668	0.2
98.98489	0.3
99.08079	0.2
104.10745	10.1
105.07016	0.2
105.11073	0.3
107.08598	2.1
109.10152	3.0
111.08073	0.7
111.11707	1.5
121.10145	3.9
123.11713	0.8
124.99986	1.6
125.09621	0.5
135.11685	2.8
137.13251	0.2
139.11211	0.4
146.98177	40.3
149.13274	1.3
151.14806	0.3
153.12750	0.2
154.94228	0.3
160.52811	0.2
163.14822	0.6
164.99277	0.7
165.16432	0.3
172.95222	0.4
177.16476	0.4
180.95763	0.4
181.02635	0.4
184.07318	2.0
188.00842	0.7
191.17871	0.2
198.09027	0.2
198.96797	1.2
216.97957	0.3
229.33430	0.2
240.09975	1.0
247.24176	0.8
265.25272	0.7
278.93512	0.4
321.20731	0.2
339.22186	0.5
339.28928	17.2
340.29257	0.5
361.27252	0.6
475.21371	0.4
485.26398	29.0
486.26590	0.4
501.23795	0.3
504.34381	0.2
541.32861	4.0
541.82983	1.6
542.32819	0.4
544.33728	100.0
545.34259	1.2
560.31067	0.3
632.86322	0.4
802.00336	6.2
802.50317	4.8
803.00543	1.4
992.51007	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	1061.655
Annotation	Unknow
Peak:m/z	Relative Intensity
74.07450	0.1
79.05497	3.1
81.07058	11.1
82.07385	0.1
83.04974	0.4
83.08623	3.1
85.06551	0.4
85.10199	0.2
86.09708	25.0
87.10056	0.2
91.05481	2.1
93.07045	3.3
95.04955	0.4
95.08607	8.3
97.06535	0.6
97.10166	1.6
99.08089	0.2
104.10748	3.4
104.11460	0.2
105.07034	1.6
105.11063	0.2
107.08596	1.6
108.97536	0.1
109.06532	0.2
109.10161	3.6
111.08086	0.5
111.11726	0.3
113.87307	0.1
119.08589	1.4
121.10143	1.4
123.08057	0.2
123.11713	1.6
125.00000	0.4
125.09618	0.4
133.10130	1.5
135.11694	0.8
137.09654	0.1
137.13278	0.3
139.01595	0.4
139.11197	0.1
140.88283	0.1
146.98183	41.8
147.11699	0.9
149.13275	0.4
151.14789	0.2
161.13277	0.9
161.28682	0.1
163.14865	0.5
164.99242	0.7
172.32079	0.1
175.14844	0.4
176.99257	0.2
177.16426	0.2
184.07373	0.6
188.00839	0.7
189.16440	0.1
198.08937	1.8
206.05573	0.2
240.09941	0.3
245.22701	0.3
263.23764	0.3
290.16852	0.1
337.27368	13.3
338.27817	0.3
359.25577	1.3
376.93448	0.1
439.22324	0.3
483.24832	25.9
484.25290	0.6
534.35657	1.4
542.32159	100.0
543.32495	2.0
605.42676	0.2
710.05658	0.1
722.93701	0.1
800.48932	0.2
801.47809	0.4
1061.15588	0.2
1061.65369	7.3
1062.65320	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1063.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
104.84400	0.4
140.19777	0.4
192.29082	0.4
218.58420	0.4
237.46875	0.3
251.65396	0.3
395.11646	0.3
396.12158	0.5
397.13315	0.5
410.14001	0.8
411.14270	1.9
412.15405	1.5
413.16147	1.5
423.14880	0.6
424.10910	0.6
424.15564	1.0
425.11710	0.5
425.16269	4.9
426.16785	4.6
427.17679	1.0
428.18472	1.4
438.17142	0.7
439.13803	10.7
440.18781	4.4
441.19281	22.2
442.19458	0.9
452.14951	1.3
453.15387	11.3
454.15955	3.1
463.13849	0.5
465.15994	0.5
467.17194	13.5
468.17920	8.1
469.18961	5.0
471.16843	0.7
472.17264	0.5
480.17331	0.6
481.14343	5.1
482.15894	1.0
485.18188	0.5
494.18326	0.4
495.16653	1.4
495.21799	0.4
496.17245	4.1
497.18027	1.2
499.20099	0.8
509.18719	1.0
512.20587	0.5
513.21503	0.5
514.22186	3.4
523.20233	0.7
527.23297	3.0
555.22406	36.7
556.23059	1.6
583.21869	38.7
584.21857	1.9
586.20392	0.7
587.24695	2.1
611.21399	0.9
614.24097	1.1
615.24445	9.1
615.33643	0.7
642.23322	1.8
643.23944	100.0
644.24243	3.4
954.72369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0496
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01602	0.4
51.02382	0.7
53.03945	2.4
54.81745	0.3
55.01643	0.3
55.01878	0.5
55.70943	0.2
56.07961	0.2
56.96564	0.3
59.58658	0.2
61.97788	0.2
67.05527	0.3
76.04012	0.3
77.03930	2.1
79.05493	100.0
80.05025	2.3
80.05814	2.3
81.03381	0.3
91.05485	1.8
95.04973	12.2
96.04498	0.5
96.05281	0.2
104.42879	0.2
105.04514	5.6
105.07011	0.6
107.04955	22.6
107.06126	0.6
107.06886	0.8
107.08593	1.1
108.04477	2.7
108.05293	0.7
108.08120	2.4
109.06556	0.3
119.06040	0.5
124.03978	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.08387	1.3
58.83069	1.4
65.03941	11.1
67.05501	2.8
68.61410	1.2
79.05492	34.7
80.05025	8.7
91.05482	100.0
92.05772	2.7
92.06264	3.5
93.05813	1.7
94.98251	1.2
95.04982	7.8
96.04485	1.6
105.04546	3.0
105.07033	32.3
106.06546	1.6
107.04960	23.5
107.06085	2.5
107.08592	48.7
108.04500	10.9
108.08122	12.7
109.06511	17.4
119.06078	11.8
120.82965	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
65.03942	9.7
67.05509	1.3
69.63980	1.5
77.03910	0.5
79.05495	12.1
80.05051	0.4
80.86845	0.4
91.05482	100.0
91.57894	0.4
92.05785	2.6
92.06291	1.9
95.04965	1.5
100.27946	0.4
105.04521	0.7
105.07035	31.4
106.07358	1.3
107.04951	4.9
107.08595	51.7
108.04504	1.0
108.05230	0.3
108.08120	1.8
108.08932	2.0
109.06519	19.9
119.06062	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62482	0.5
53.03941	0.8
63.06958	0.5
65.03944	10.5
67.05494	2.0
71.45605	0.4
77.03911	0.5
79.05044	0.8
79.05499	13.9
80.05018	2.1
80.05842	0.6
91.05482	100.0
92.05779	3.0
92.06287	2.2
93.05775	1.1
95.04972	1.9
96.04494	0.8
103.05436	0.6
105.07032	34.3
106.07380	0.9
107.04959	5.7
107.06108	0.9
107.08595	51.5
108.04475	2.8
108.08116	5.1
108.08929	1.9
109.06519	21.1
119.06065	15.4
120.06426	0.5
124.05215	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
55.01887	0.4
65.03942	9.3
67.05495	1.4
69.13628	1.1
69.14043	1.7
75.23485	0.5
77.03931	0.6
79.05492	13.2
80.05031	2.1
82.71088	0.4
91.05480	100.0
91.87652	0.4
92.05765	2.9
92.06334	2.1
93.05778	0.7
95.04956	1.6
103.05402	0.5
105.04544	0.7
105.07031	33.4
106.04218	0.5
106.07355	1.1
107.04950	4.6
107.06120	0.9
107.08593	51.3
108.04498	3.0
108.08112	3.5
108.08928	1.9
109.06519	19.2
119.06066	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	107.086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
62.55354	0.7
65.03947	10.4
67.05498	1.0
69.41161	2.4
79.05492	13.6
80.05017	4.8
82.70936	0.8
82.80878	0.7
91.05480	100.0
92.05812	2.5
92.06284	1.9
93.05792	2.8
95.04973	2.0
96.04485	1.0
105.07032	32.9
106.07345	1.3
107.04971	4.7
107.06125	1.6
107.06841	3.8
107.08592	53.4
108.04496	6.2
108.08124	16.8
108.08898	2.2
109.05764	1.0
109.06516	19.2
119.05276	1.4
119.06072	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	1070.257
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	1.5
81.03419	2.4
83.04964	1.0
89.03925	4.6
95.04956	1.4
105.03362	0.9
107.04948	3.1
109.02868	2.6
111.00819	2.0
111.04441	2.9
117.03354	4.7
119.04964	1.4
121.02836	1.2
123.03524	1.3
123.04425	36.2
127.03913	100.0
131.04933	0.9
135.04408	35.1
137.02312	2.2
139.03897	52.6
145.02864	7.8
147.04398	6.2
149.02356	2.8
151.03899	6.4
159.04378	1.9
161.05998	3.0
163.03899	84.6
165.05475	7.5
167.03412	6.6
169.06441	1.6
173.06006	2.0
175.03906	2.0
177.01840	1.3
177.05489	3.8
179.03442	2.6
187.03903	6.4
189.05486	2.9
191.03387	8.3
193.05005	2.4
197.05984	2.9
201.05484	6.3
203.03392	8.5
203.07101	1.9
205.04996	2.7
207.06606	2.1
215.03337	1.4
215.07025	1.6
217.04916	1.5
225.05484	1.6
227.03490	1.3
229.04953	7.7
231.06508	1.6
233.04489	7.5
241.05025	2.4
243.06590	4.9
245.04440	7.1
247.06070	18.0
251.05568	2.9
253.04898	1.1
255.06596	1.8
257.04446	9.0
259.06018	9.0
269.04587	2.3
271.05997	22.2
275.05472	13.3
283.05954	7.5
285.07553	1.8
287.05502	25.3
289.07037	35.0
291.08624	46.4
295.04449	4.9
299.05511	4.0
301.07062	13.0
303.08603	2.7
409.09158	28.7
411.10635	6.3
421.09589	1.0
424.10175	1.0
427.10272	42.5
435.10727	1.7
439.10080	3.2
453.11731	3.2
473.76178	1.0
579.14941	41.2
604.94818	1.0
1003.26923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.257
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05495	1.5
81.03419	2.4
83.04964	1.0
89.03925	4.6
95.04956	1.4
105.03362	0.9
107.04948	3.1
109.02868	2.6
111.00819	2.0
111.04441	2.9
117.03354	4.7
119.04964	1.4
121.02836	1.2
123.03524	1.3
123.04425	36.2
127.03913	100.0
131.04933	0.9
135.04408	35.1
137.02312	2.2
139.03897	52.6
145.02864	7.8
147.04398	6.2
149.02356	2.8
151.03899	6.4
159.04378	1.9
161.05998	3.0
163.03899	84.6
165.05475	7.5
167.03412	6.6
169.06441	1.6
173.06006	2.0
175.03906	2.0
177.01840	1.3
177.05489	3.8
179.03442	2.6
187.03903	6.4
189.05486	2.9
191.03387	8.3
193.05005	2.4
197.05984	2.9
201.05484	6.3
203.03392	8.5
203.07101	1.9
205.04996	2.7
207.06606	2.1
215.03337	1.4
215.07025	1.6
217.04916	1.5
225.05484	1.6
227.03490	1.3
229.04953	7.7
231.06508	1.6
233.04489	7.5
241.05025	2.4
243.06590	4.9
245.04440	7.1
247.06070	18.0
251.05568	2.9
253.04898	1.1
255.06596	1.8
257.04446	9.0
259.06018	9.0
269.04587	2.3
271.05997	22.2
275.05472	13.3
283.05954	7.5
285.07553	1.8
287.05502	25.3
289.07037	35.0
291.08624	46.4
295.04449	4.9
299.05511	4.0
301.07062	13.0
303.08603	2.7
409.09158	28.7
411.10635	6.3
421.09589	1.0
424.10175	1.0
427.10272	42.5
435.10727	1.7
439.10080	3.2
453.11731	3.2
473.76178	1.0
579.14941	41.2
604.94818	1.0
1003.26923	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1070.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03924	0.3
79.05491	8.9
81.07056	15.0
83.04971	0.7
83.08621	1.4
85.06554	0.5
91.05469	4.0
93.07044	10.5
95.04967	1.3
95.08604	12.8
97.06523	0.6
97.10170	0.7
98.98424	0.4
105.04541	0.4
105.07015	2.7
107.08590	4.1
109.06510	0.4
109.10158	5.2
117.07010	1.0
119.08591	2.3
121.10149	4.3
122.77144	0.3
123.07993	0.4
123.11703	1.1
131.08586	1.9
133.10127	1.4
135.11671	2.3
137.13254	0.5
145.10139	1.1
147.11693	1.0
149.13232	1.4
159.11705	0.8
161.13264	0.4
163.14803	0.4
173.13231	0.5
216.06377	0.5
261.21924	0.4
269.72766	0.3
304.26382	1.3
335.25790	100.0
336.26086	1.6
443.35144	0.3
458.26422	0.6
476.27722	5.4
694.02563	0.3
727.76538	0.4
918.57953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1081.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02834	0.2
86.96836	0.2
98.23499	0.3
123.33569	0.1
185.04204	3.2
309.09241	0.2
317.06491	0.3
337.99835	0.3
338.03958	7.0
339.04785	4.1
375.05856	0.2
429.58630	0.2
440.14407	0.9
441.15152	0.2
453.88330	0.1
488.33359	0.2
501.10007	100.0
502.10345	1.4
603.20453	28.4
604.20789	0.6
876.14587	0.1
882.35590	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	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	4.2
55.05500	1.6
55.55437	0.4
58.12534	0.5
65.03939	2.2
66.04713	0.9
67.04224	0.5
67.05502	17.5
69.07066	0.8
69.27272	1.3
69.27680	1.5
69.46825	0.4
79.05492	29.0
80.05830	0.7
81.03407	1.6
81.07054	32.5
82.06573	1.2
82.07356	1.1
87.00475	0.9
91.05486	8.4
94.04198	2.5
95.04955	1.0
107.04935	0.6
107.08611	0.9
109.02913	0.9
109.06517	100.0
109.07597	8.7
109.08485	1.7
109.10154	10.0
110.06040	12.3
110.06853	3.6
110.10551	0.7
113.96400	0.5
119.49860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
53.03942	4.8
53.21104	1.3
54.92831	1.1
55.01871	3.9
55.05511	2.9
65.03932	4.5
67.04228	1.5
67.05505	23.6
69.07076	1.6
71.47025	1.4
79.05486	25.9
81.03414	4.0
81.07056	33.3
81.07504	2.4
82.06580	5.4
87.00464	4.8
91.05493	6.5
94.04173	2.0
98.89328	1.2
105.15642	1.2
109.02885	2.3
109.06516	100.0
109.07615	21.0
109.10157	14.5
110.06042	36.2
110.06818	3.3
110.07923	1.4
113.96391	1.7
123.29149	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03943	3.1
53.67004	0.6
54.68433	0.7
55.05513	10.9
55.58422	0.5
55.82806	0.6
61.59575	0.5
65.03947	3.8
67.05505	100.0
68.05837	1.4
69.07072	5.2
71.06277	0.9
79.05496	9.1
80.06271	1.0
81.03413	3.3
81.07058	32.5
82.06583	2.6
91.05477	1.4
94.07810	0.7
107.08588	3.7
109.02886	1.9
109.06523	7.9
109.07663	7.5
109.10155	57.5
110.06049	16.5
110.06770	0.5
110.10509	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	109.1017
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.11815	1.2
53.03944	3.1
55.05513	8.5
65.03941	4.1
67.05509	100.0
68.05842	2.0
69.07061	5.2
69.24099	2.1
69.24500	4.2
73.35831	1.1
79.05505	6.5
81.03406	4.9
81.07061	33.2
82.06583	3.4
82.07366	1.3
89.19540	1.1
98.22711	2.4
107.08595	3.7
107.12193	1.0
109.02877	1.5
109.04828	1.3
109.06538	7.6
109.07647	13.5
109.08391	2.3
109.10158	51.8
110.06048	40.5
110.07177	1.6
110.10474	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	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03946	0.7
55.05515	10.2
55.93672	0.7
65.03939	4.0
67.05507	100.0
68.05850	2.3
69.07077	5.9
69.92008	0.6
70.71788	0.7
71.08220	0.8
79.05499	6.9
80.06284	1.0
81.03428	0.8
81.07058	28.0
81.18905	0.7
82.06605	1.4
83.40881	0.7
107.08615	3.5
109.06504	2.8
109.07657	4.4
109.10159	49.1
110.06048	10.0
110.10484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1100.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05473	1.4
86.10854	1.0
89.03919	14.1
107.04958	2.4
117.03364	10.4
123.04443	10.4
131.04953	1.3
133.62627	0.9
135.04422	19.5
135.05359	1.9
137.02289	1.7
137.06009	1.4
139.70691	0.8
143.04916	1.3
145.02850	13.6
146.05984	3.5
147.04420	5.2
152.07100	1.5
160.05179	1.6
161.05992	1.4
162.05580	1.9
163.03912	72.8
163.06227	3.3
164.04230	1.5
164.07082	9.0
165.07056	1.8
167.08626	1.4
175.03865	3.2
176.07162	1.3
177.06992	4.0
178.04984	1.1
181.06395	1.2
195.08093	4.3
204.08125	1.9
205.06465	19.5
211.07533	2.8
221.06073	2.6
223.07552	24.6
227.06978	1.0
232.07434	1.4
233.06007	16.0
234.06746	1.4
239.07013	4.2
249.05426	1.4
250.06314	1.8
250.08636	11.3
251.07040	43.9
255.59027	0.9
257.08142	1.8
261.05402	3.8
267.06378	4.5
269.08099	15.8
278.08105	9.2
279.06512	80.3
280.06949	1.3
282.05197	1.9
285.07608	11.2
286.10727	8.6
295.04568	1.7
296.09222	19.1
297.07578	45.4
314.10229	93.8
315.10663	1.4
446.10748	1.6
464.11880	54.5
547.17157	1.2
626.15045	100.0
627.15228	2.4
734.35034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Imidazole-4-acetaldehyde
Peak:m/z	Relative Intensity
51.00920	0.2
54.03468	0.5
55.01870	0.5
55.05508	1.0
55.30022	0.3
56.05029	2.8
56.96553	0.4
67.05518	0.3
68.05029	10.1
68.12634	0.3
69.03431	6.9
69.04549	2.0
69.07072	0.5
69.68369	1.0
70.06592	8.3
81.04533	2.2
82.05322	58.1
83.05103	1.4
83.06103	70.4
84.04520	1.4
84.05872	0.3
84.06439	1.7
84.08139	2.3
88.00472	0.8
89.00250	0.4
93.04546	0.3
94.02937	1.5
94.04040	0.3
94.06506	0.3
95.02450	4.2
95.06086	1.2
97.01020	0.4
98.22659	0.5
103.00652	0.2
103.01347	0.3
111.05565	100.0
112.03934	1.2
112.05100	22.2
112.05910	2.8
112.07600	15.7
112.08479	0.4
112.08768	0.5
115.96484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03471	0.5
55.01874	0.6
55.05505	1.2
56.05035	2.7
65.03934	0.4
67.05514	0.4
68.05030	11.4
69.03428	5.3
69.04559	1.9
69.07065	0.9
69.80058	0.9
70.02966	0.6
70.06590	8.3
81.04542	1.8
82.05323	56.0
82.16000	0.3
83.06104	71.2
84.04502	1.3
84.06451	1.1
84.08149	2.0
88.00483	0.7
94.02946	1.8
94.04054	0.6
94.06563	0.4
95.02462	2.9
95.06084	1.1
111.05566	100.0
111.09191	0.9
112.03931	1.2
112.05104	19.0
112.05910	3.0
112.07600	13.7
112.08715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03470	0.3
55.01869	0.6
55.05515	1.7
56.05034	2.3
65.03941	0.4
67.05505	0.4
68.05034	9.1
68.99782	0.3
69.03430	2.6
69.04554	1.8
69.05372	0.3
69.07069	1.1
70.02962	0.5
70.06598	10.0
70.36623	0.3
81.04547	2.7
82.05327	58.7
83.05095	1.8
83.06107	71.6
84.04509	1.3
84.05995	0.3
84.06428	1.9
84.08150	1.4
88.00475	0.4
93.04532	0.7
94.02957	2.0
94.04166	0.3
94.06589	0.4
95.02477	1.6
95.06097	0.9
96.04468	0.3
100.02497	0.4
111.00819	0.5
111.05571	100.0
111.25105	0.3
112.03992	1.7
112.05096	10.0
112.05910	2.7
112.07605	6.9
112.08733	0.6
122.08808	0.3
127.04255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1112.6045
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09708	26.8
98.98486	3.1
104.10743	6.3
120.13877	0.4
124.99998	19.9
146.98219	0.8
184.07343	100.0
185.07724	0.4
335.25739	0.8
394.07626	0.4
465.01566	0.4
481.22934	0.9
497.20291	0.4
500.31509	1.9
518.32446	19.4
519.32214	0.5
540.30359	0.7
561.10632	0.4
717.12726	0.4
862.56873	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	112.0509
Annotation	Cytosine
Peak:m/z	Relative Intensity
52.01894	0.2
53.08852	0.1
56.96544	0.2
59.44828	0.1
62.37773	0.1
67.02978	0.4
68.01385	0.5
69.04554	6.6
70.02951	0.5
70.06604	1.0
70.68742	0.3
71.02483	0.3
71.94104	0.2
94.04058	2.5
95.02453	18.2
96.00837	0.3
96.02779	0.3
97.75899	0.1
112.05090	100.0
112.62549	0.1
113.03493	1.6
113.04781	0.4
113.05439	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	1120.6425
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05360	20.3
79.05875	3.4
81.03281	5.0
81.06923	30.1
81.07452	4.6
81.07729	1.1
83.04852	2.2
83.08483	4.0
85.02764	6.4
85.06429	0.9
85.94730	0.5
91.03815	3.4
91.05334	21.7
91.05970	2.7
93.06901	19.1
93.07552	2.4
95.04824	10.8
95.08456	14.7
97.02744	6.0
97.03397	0.8
97.06380	2.6
97.10023	3.4
99.07990	0.6
101.02293	0.8
103.05338	0.7
105.04372	1.7
105.06875	13.9
105.07634	1.3
107.04785	4.0
107.08437	12.0
109.02779	0.7
109.06360	4.3
109.10000	8.0
109.10800	1.4
111.04326	0.7
111.07937	1.4
115.05279	2.0
116.06049	0.5
117.06846	7.6
119.04752	2.9
119.08413	14.5
119.09310	1.2
121.06339	4.4
121.09973	7.8
123.04256	4.8
123.07905	3.2
123.11543	2.0
125.09460	3.4
127.03799	1.2
128.06126	1.4
129.06993	4.9
131.04810	1.1
131.08392	7.3
133.06458	3.8
133.09953	6.2
135.04242	2.0
135.07878	2.4
135.11693	4.3
137.05978	16.1
137.09465	1.3
139.10994	0.8
141.06839	1.6
142.07610	0.6
143.08368	2.3
145.06496	2.9
145.10118	7.2
147.04402	3.9
147.08037	7.8
147.11511	4.0
149.05965	5.6
149.09608	4.6
149.13062	1.8
151.07344	0.7
151.11063	1.1
153.08928	0.7
154.08519	1.4
155.08347	1.1
157.06302	2.1
157.10091	4.1
159.08093	3.5
159.11694	3.1
161.05969	6.6
161.09592	4.7
161.13130	1.3
163.06163	0.7
163.07515	3.5
163.11209	3.5
164.06972	1.0
165.12683	1.1
169.09908	1.1
171.07855	1.9
171.11519	1.6
173.05992	3.3
173.09344	1.9
173.13089	0.7
175.07559	5.0
175.10939	2.3
177.09015	0.9
181.06335	0.7
183.07863	2.3
183.11662	1.0
185.05878	1.0
185.09381	1.9
185.13110	0.9
187.07570	3.1
187.10999	1.2
189.08949	1.7
189.11049	1.5
189.12564	0.7
191.10573	0.8
193.12047	1.7
195.07877	1.3
195.11636	0.8
197.09465	1.1
199.07358	2.3
201.08842	2.0
203.10530	1.1
205.12161	0.7
209.09497	0.9
209.13136	0.6
211.11029	0.7
211.13058	1.1
213.09094	1.1
213.12492	1.1
213.16382	0.7
214.08574	0.7
215.10579	1.2
217.12100	1.3
223.11118	0.8
223.13110	1.4
225.09044	0.8
227.10500	0.7
229.12192	0.8
231.13895	0.8
239.14166	0.8
241.12029	1.0
249.14735	1.4
255.17352	1.6
257.15094	1.7
273.18497	14.6
274.18033	0.6
275.19824	0.9
285.14810	3.3
287.16272	0.7
291.19547	13.2
302.17566	5.9
303.15848	1.3
316.69769	0.6
335.25818	6.8
338.17249	0.6
341.17444	0.8
347.22079	0.9
395.26019	0.6
409.23798	1.6
426.26773	1.0
427.25012	0.7
438.07074	0.6
444.27304	1.2
470.25858	0.8
474.27859	1.0
500.29807	0.9
518.31506	3.2
607.41876	0.8
750.14832	0.6
778.52649	3.3
796.53540	96.9
797.54071	3.7
838.54285	2.5
874.54028	3.9
886.54211	1.2
904.55402	3.0
922.56573	11.8
923.57928	0.7
940.57806	10.2
958.58801	100.0
959.58575	4.3
1000.60309	1.4
1036.61401	0.8
1066.62012	1.3
1084.62231	3.7
1102.63574	5.4
1103.63977	0.9
1120.64111	83.4
1121.64795	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	1122.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
77.73703	0.2
78.13799	0.1
81.03410	0.4
81.95157	0.1
85.02908	0.7
91.05477	8.1
97.02892	1.0
109.02911	0.4
116.29394	0.1
119.04940	15.6
120.05216	0.2
127.03910	0.7
145.58942	0.1
147.04404	100.0
148.04742	0.8
163.28864	0.1
165.05475	2.7
166.55191	0.1
190.83214	0.2
210.25339	0.2
273.07602	0.5
291.08694	1.0
309.09671	18.1
310.10065	0.2
327.10794	0.2
451.26266	0.2
455.13168	0.4
471.14886	1.9
536.88123	0.2
586.18280	0.2
617.18597	1.5
840.83093	0.2
992.71899	0.2
1072.13428	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	1124.6225
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05488	1.9
81.03420	5.7
81.07058	6.2
83.01328	0.4
83.04963	0.3
83.08611	1.4
85.02905	100.0
86.03204	0.3
87.04469	1.6
91.03955	5.4
91.04492	0.4
91.05465	2.7
93.07047	4.8
95.04986	0.9
95.08113	0.2
95.08605	11.3
97.02892	25.9
97.10175	0.9
98.23495	0.4
99.04448	3.7
101.02386	0.6
103.03944	0.9
103.05460	0.3
105.04561	0.4
105.07034	6.1
107.08592	8.2
109.02878	10.2
109.06573	0.3
109.10158	7.7
111.08088	0.9
111.11795	0.3
115.03951	1.1
117.07045	1.3
119.06113	0.2
119.08583	8.3
119.83223	0.2
120.29897	0.2
121.10154	7.1
123.11704	3.4
125.09621	0.4
127.03915	30.0
129.06998	0.6
131.08551	2.4
133.10132	6.1
135.08208	0.3
135.11700	5.0
137.13229	2.6
141.07008	0.3
143.08568	1.2
145.04959	63.5
145.10115	5.0
146.05305	0.3
147.11691	4.0
149.13272	4.1
151.14708	0.3
157.10121	1.9
159.11693	5.7
159.12938	0.4
161.13260	4.6
163.06015	31.0
163.14810	3.0
169.10144	0.6
171.11714	1.4
172.52342	0.2
173.13260	3.8
175.14818	5.7
177.12816	0.2
177.16400	2.1
179.14285	1.4
181.07161	0.3
183.11743	0.6
185.13293	1.2
187.13202	0.4
187.14801	3.9
189.16379	4.4
191.14316	0.5
191.17947	13.4
193.15874	1.3
197.13239	0.4
199.14867	1.6
201.16380	3.8
203.17966	4.6
204.08646	0.4
205.15872	0.9
205.19495	1.8
207.17448	3.5
211.14764	0.6
213.16371	1.9
215.17960	6.3
217.15947	0.7
217.19507	1.9
219.17506	1.5
221.19072	0.4
225.16335	0.5
227.17950	1.4
229.19533	1.5
231.17368	1.0
231.21036	1.2
233.19008	4.4
239.18056	0.5
241.19720	0.5
243.17476	0.3
243.21196	1.1
245.19035	0.7
245.22556	0.6
247.08264	0.3
247.20595	0.3
253.07167	0.4
253.19563	0.5
255.21106	0.9
257.22552	0.4
267.21143	0.4
269.22711	0.8
271.08099	1.6
271.20657	0.3
271.24344	0.3
273.22226	0.5
275.23901	0.2
281.22781	0.4
283.24188	0.5
285.22104	0.6
289.09161	4.7
295.24213	0.4
297.25851	0.5
299.23517	0.4
307.10095	0.3
315.26807	0.3
325.11285	37.5
326.11725	0.5
335.27332	0.2
349.28790	0.3
377.31601	0.3
381.31223	0.3
393.35135	1.5
405.35162	10.5
406.35461	0.3
407.36841	0.8
411.36185	2.0
423.36212	43.4
424.36575	1.4
425.37933	0.4
441.37265	10.3
442.37805	0.3
504.19351	0.3
549.38977	0.3
567.40387	0.4
585.41400	2.4
603.42499	0.7
621.43402	0.4
712.61401	0.2
742.38837	0.3
825.37769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1152.6451
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07056	13.9
83.04964	0.5
83.08614	1.1
84.00295	0.2
85.06506	0.3
91.05480	4.3
93.07041	8.4
95.04965	1.2
95.08604	11.2
97.06528	0.6
97.10162	0.5
98.98458	0.3
105.04488	0.4
105.07031	2.6
107.07923	0.3
107.08590	4.5
109.06506	0.3
109.10153	4.3
111.08076	0.3
117.07014	0.8
119.08578	2.2
121.10146	4.3
123.08077	0.4
123.11699	1.3
124.01569	0.3
125.09641	0.2
131.08556	1.5
133.10146	1.6
135.11687	2.3
137.09494	0.2
137.13252	0.3
145.10138	1.0
147.11699	1.0
149.13254	0.9
159.11685	0.6
161.13245	0.6
173.13277	0.6
175.14778	0.4
196.61728	0.2
198.05199	0.5
199.83176	0.2
216.06345	0.6
261.22122	0.4
304.26294	1.5
335.25793	100.0
336.26135	1.8
362.46082	0.2
443.96393	0.2
458.26605	0.8
476.20892	0.3
476.27740	7.1
582.90894	0.2
1011.29004	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	1164.5892
Annotation	Unknow
Peak:m/z	Relative Intensity
80.63203	0.1
81.07013	0.1
86.09705	27.6
87.10043	0.1
89.78907	0.1
91.02892	0.1
93.07088	0.2
95.08612	0.2
98.98463	4.3
104.10740	10.7
105.11099	0.1
125.00002	20.8
143.01064	0.2
154.94215	0.2
163.01602	0.2
172.95433	0.1
184.07339	100.0
185.07692	0.6
210.97684	0.2
445.27676	0.2
495.16522	0.8
496.16928	1.0
504.34467	2.7
521.22681	0.5
522.35559	24.7
523.35706	0.6
580.64508	0.1
583.21527	0.3
584.22351	0.2
642.23462	0.7
643.23334	1.2
682.19806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0701
Annotation	INDENE
Peak:m/z	Relative Intensity
55.05522	1.1
56.96562	0.4
58.06587	0.9
59.07375	0.6
69.58449	0.5
71.06915	1.2
72.04514	2.4
72.08150	5.6
74.09711	0.8
86.92306	0.4
89.87673	0.4
91.05478	15.9
98.97570	0.5
100.07594	0.9
110.16180	0.4
115.05457	46.2
116.05757	1.3
116.98611	0.9
117.07017	100.0
118.06578	0.7
118.07343	3.8
118.08643	2.8
123.01807	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
50.58220	1.1
51.02379	3.8
53.03949	19.7
55.01870	2.5
55.05494	2.6
58.06594	4.1
59.07358	3.3
69.34824	3.0
69.35230	4.1
72.07793	1.4
72.08158	18.7
73.02911	2.1
77.03924	14.6
81.03419	2.1
90.12202	1.4
91.05479	14.6
95.04968	85.6
96.05312	3.3
104.06277	1.9
105.04516	40.5
106.04841	1.6
116.05827	1.7
117.07027	3.2
118.06546	100.0
118.07304	6.5
118.08638	11.8
119.06077	1.5
119.06879	3.8
119.08561	10.5
127.77226	1.3
130.33269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.4
51.02385	0.7
52.87693	0.3
53.03951	4.2
55.05514	17.2
56.05037	0.4
57.05824	0.9
58.06600	6.6
59.05004	1.6
59.07382	6.2
60.08165	1.4
66.91586	0.3
71.45163	0.3
72.08157	100.0
73.08493	1.2
77.03932	3.5
81.03410	0.6
89.64987	0.4
91.05489	3.4
95.04973	16.7
96.05298	0.3
97.17777	0.3
101.06013	1.4
105.04522	8.3
118.06551	18.5
118.08659	26.7
118.12285	3.0
119.04935	0.7
119.06859	0.6
119.09052	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02378	5.0
53.03951	23.6
55.05509	12.8
56.05035	1.6
58.06614	8.6
59.04998	2.2
59.07378	4.7
62.02435	1.5
62.63021	1.9
65.03938	9.5
68.95287	1.4
69.79974	2.8
69.80333	3.5
72.08158	78.2
73.08476	2.4
75.58299	1.4
76.07653	2.2
76.93354	2.2
77.03931	22.1
83.96472	1.5
91.05484	49.2
91.06060	2.4
95.04969	91.4
96.05283	2.3
97.11738	1.3
100.02467	4.3
101.00851	7.8
101.06013	2.0
105.04514	46.0
106.04998	2.1
112.07620	1.9
118.03500	3.0
118.06545	100.0
118.08657	24.1
118.12273	2.6
119.01919	37.2
119.04940	6.8
119.06871	2.8
121.55373	1.3
131.42546	1.3
137.02956	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0655
Annotation	4-Ethynylaniline
Peak:m/z	Relative Intensity
53.03940	0.8
53.52269	0.6
55.05506	3.8
57.03424	1.1
58.06598	4.1
58.24471	0.8
59.07386	4.7
62.02452	0.8
65.03945	1.5
70.06549	0.7
70.57829	1.3
72.07789	1.3
72.08158	20.9
76.93370	0.8
90.04248	1.0
91.05481	49.9
94.98508	0.6
95.04974	2.7
98.95094	0.6
99.15279	0.8
105.04518	1.4
117.05772	2.5
118.06542	100.0
118.08648	22.6
119.04929	4.2
119.06146	0.8
119.06898	4.2
123.37293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05513	16.7
56.05028	0.8
56.05836	0.3
57.05812	0.8
58.06599	8.7
59.05009	0.6
59.07381	8.7
60.08144	0.3
61.96225	0.2
62.59797	0.3
62.81973	0.2
72.08155	100.0
73.08485	2.1
77.69751	0.3
83.04990	0.4
83.84477	0.3
87.04467	0.3
91.05525	0.4
100.07622	0.5
100.51336	0.3
101.05991	0.9
118.08656	35.1
118.12295	0.9
119.08971	0.8
129.43680	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0867
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
52.96901	0.2
53.03937	0.5
55.05513	15.0
56.05035	0.4
56.05853	0.6
57.05826	1.0
57.16403	0.2
58.06599	9.9
59.04993	0.3
59.07384	10.0
60.07697	0.3
69.03424	0.3
70.89589	0.4
72.08156	100.0
73.08492	2.5
87.04478	0.2
91.05474	0.6
100.02512	0.3
101.06034	0.6
106.05070	0.3
118.08656	46.7
119.09028	1.5
130.70610	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40659	1.7
62.02243	1.8
65.55792	1.9
82.99826	2.7
91.05479	15.3
101.00879	23.9
119.01923	100.0
119.06041	3.4
119.08568	2.8
120.02032	6.6
120.05592	5.4
137.02971	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
63.72271	2.4
69.81202	6.0
69.81569	6.3
72.34373	3.2
75.16496	2.7
75.38073	3.5
91.05466	4.3
96.75639	3.0
100.02496	3.7
101.00888	32.3
104.04471	2.9
113.57339	2.9
119.01094	6.0
119.01923	100.0
120.01978	4.6
137.02957	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33882	0.9
55.92342	0.9
64.93233	1.1
67.02984	1.2
69.76559	1.9
69.76932	2.0
73.20480	0.9
77.50333	1.0
82.99841	3.3
91.05479	9.3
92.02496	3.8
92.54383	1.0
93.42720	0.9
94.98434	1.0
98.23396	1.4
101.00235	2.1
101.00877	31.1
102.00983	2.4
102.09183	1.8
119.01922	100.0
119.03540	24.5
119.04885	1.6
119.06061	1.2
120.01968	6.2
120.05592	1.4
120.08118	2.1
134.63666	0.9
137.01907	1.7
137.02948	29.1
138.03053	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	119.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33882	0.9
55.92342	0.9
64.93233	1.1
67.02984	1.2
69.76559	1.9
69.76932	2.0
73.20480	0.9
77.50333	1.0
82.99841	3.3
91.05479	9.3
92.02496	3.8
92.54383	1.0
93.42720	0.9
94.98434	1.0
98.23396	1.4
101.00235	2.1
101.00877	31.1
102.00983	2.4
102.09183	1.8
119.01922	100.0
119.03540	24.5
119.04885	1.6
119.06061	1.2
120.01968	6.2
120.05592	1.4
120.08118	2.1
134.63666	0.9
137.01907	1.7
137.02948	29.1
138.03053	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.91715	0.5
65.03942	16.1
68.95423	0.5
69.83065	0.9
69.83389	0.9
74.06035	0.6
74.22440	0.5
84.08147	0.6
91.05483	100.0
92.05806	2.9
95.04983	1.0
103.05457	0.6
117.85838	0.5
119.04949	51.0
119.08595	1.8
120.05432	2.2
120.08099	1.7
120.45779	0.4
129.04459	0.9
135.05525	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0607
Annotation	Benzimidazole
Peak:m/z	Relative Intensity
51.02380	1.8
60.04513	0.4
69.53146	1.8
78.03452	15.5
79.05497	0.6
91.05486	7.3
96.04493	100.0
97.04839	1.9
98.22716	0.8
102.09177	0.9
103.05488	1.2
104.06252	0.7
113.82377	0.4
115.05442	0.4
116.80405	0.4
117.07034	2.1
119.06071	19.9
119.08569	8.4
120.04482	0.4
120.05592	1.3
120.06416	1.0
120.08101	0.8
120.08898	0.4
134.58476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98487	0.4
53.03946	1.2
57.20329	0.4
65.03954	2.0
69.20100	0.8
69.20484	1.2
77.03954	0.7
78.04697	0.6
79.05497	5.8
87.88515	0.4
91.05483	61.5
92.05827	2.2
93.07041	4.7
95.04968	2.0
96.05269	0.5
99.97272	0.5
103.05473	10.7
104.06255	7.6
105.04525	1.2
105.07070	0.5
109.06536	0.9
115.05471	3.2
117.07019	15.4
119.06081	2.1
119.08582	100.0
120.04427	0.6
120.05593	1.4
120.08094	4.7
120.08927	5.5
126.36310	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03955	1.0
65.03934	1.9
77.03928	1.0
78.04718	0.7
79.05495	6.6
91.05480	62.2
92.05817	2.4
93.07045	4.4
95.04980	2.7
98.12721	0.4
99.13013	0.5
102.04698	0.5
103.05457	10.2
104.06258	8.0
105.04510	1.5
105.07049	0.7
106.04861	0.5
115.05437	3.2
117.07021	15.4
119.06075	1.5
119.08577	100.0
120.05597	1.4
120.08096	4.0
120.08930	4.4
131.06055	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80849	1.2
56.05027	1.3
57.07076	40.6
58.07423	1.8
63.04505	1.9
65.03927	3.1
69.82922	2.3
69.83303	2.8
79.05481	5.6
91.05478	80.1
92.05805	3.9
93.07040	4.3
95.04951	3.2
96.05325	1.7
103.05457	10.1
104.06246	9.0
105.04549	1.5
106.11166	1.1
108.38562	1.2
109.06495	2.0
115.05454	2.7
116.52740	1.2
117.07022	17.7
119.04923	3.4
119.06059	5.4
119.08574	100.0
120.04406	1.7
120.05584	5.1
120.08079	6.4
120.08912	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	120.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45497	0.5
51.02385	0.5
53.03940	0.7
60.36038	0.4
65.66694	0.5
66.02161	0.5
70.67952	0.8
73.78880	0.5
77.03926	2.1
77.19866	0.4
79.05474	0.7
79.79196	0.4
91.05482	6.3
93.07047	11.8
93.41957	0.5
95.04945	2.8
100.58791	0.5
102.04693	0.7
103.05469	57.5
104.05782	2.5
105.04510	1.2
114.90607	0.5
118.06541	1.0
119.07361	0.8
120.08105	100.0
121.08447	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	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
52.95601	1.0
53.03954	6.6
54.03471	1.8
55.01870	1.8
55.96585	1.3
56.05043	1.1
62.25610	1.2
62.92982	5.2
65.03938	3.3
66.00845	0.9
69.68278	3.8
77.03925	7.0
77.10427	0.9
79.05486	2.7
79.95625	3.1
80.04998	3.5
80.93204	2.1
81.03426	1.1
81.04539	17.4
85.86116	1.0
89.23045	1.1
89.96911	1.0
91.05482	50.8
92.05803	2.4
92.17775	1.0
93.04551	2.5
93.07049	55.4
94.06581	2.5
94.07392	2.4
95.04973	34.7
100.47948	1.1
103.05472	68.6
104.05093	1.2
104.05816	4.6
105.04517	21.0
105.07033	4.8
107.07341	4.4
119.05047	1.3
120.97989	1.1
121.01666	2.6
121.02906	4.4
121.04079	5.7
121.06514	100.0
121.08421	3.0
121.95844	1.4
121.96671	3.2
122.06023	7.7
122.07101	14.7
122.09658	14.1
139.82144	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.5
51.02378	1.1
53.03946	7.0
55.01874	1.3
56.05053	0.5
57.54266	0.4
65.03926	0.6
77.03499	0.7
77.03927	9.5
78.04281	0.4
78.04703	0.4
79.05480	0.8
81.03403	1.0
91.05477	49.0
92.05806	2.4
93.07040	53.5
94.04177	0.6
94.07388	2.5
95.04964	32.0
96.05292	0.7
102.04713	1.0
103.05464	70.0
104.05811	3.7
105.04510	15.9
121.06500	100.0
121.40901	0.3
122.06792	4.3
122.44073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0651
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
50.01598	0.7
51.02383	1.2
53.03944	7.3
53.88360	0.4
55.01872	1.2
57.03426	0.5
58.93557	0.3
59.48767	0.3
62.77917	0.4
65.03924	1.1
70.39804	0.6
77.03928	12.1
78.04285	0.4
79.05534	0.4
80.93182	0.5
81.03410	0.5
81.04550	0.4
85.22702	0.4
91.05480	50.3
92.05814	1.9
93.04549	1.3
93.07045	53.5
94.07372	1.8
95.04968	32.2
96.05299	0.8
102.04691	0.9
103.05468	70.9
104.05807	3.0
105.04514	14.9
105.49561	0.3
106.04852	1.0
107.19707	0.4
121.01665	1.3
121.06505	100.0
122.06824	4.2
122.09653	0.8
131.64688	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02374	1.2
53.03945	3.4
55.05507	1.3
60.79483	0.5
65.03951	1.0
67.05518	0.5
77.03928	5.2
79.05494	29.3
81.03421	0.5
81.07055	0.8
91.05479	23.9
92.05818	1.1
93.04541	0.6
93.07045	48.5
94.06524	0.5
94.07372	1.4
95.04969	19.4
99.63314	0.4
103.05469	31.0
104.05821	0.9
105.04528	8.4
105.07029	100.0
106.07236	1.2
106.07912	5.1
107.07347	1.9
117.07035	0.4
119.08581	14.1
120.08914	0.6
121.02831	0.4
121.03992	2.0
121.06511	23.3
121.10143	73.0
122.06020	1.3
122.06850	1.2
122.09663	3.1
122.10496	2.6
123.08064	11.3
123.08901	0.9
124.08418	0.5
133.07611	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	122.9248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	2.3
52.42443	1.1
53.03931	2.1
54.03865	1.1
54.27117	1.0
54.97077	1.0
56.18760	0.9
56.44165	1.0
67.05495	7.9
69.03432	1.0
70.46919	2.1
72.52572	1.3
77.03928	10.8
78.03461	3.1
78.52960	1.6
79.05521	1.7
80.05022	31.3
81.07065	7.5
82.01445	6.1
82.06596	1.5
86.73383	1.0
93.01857	1.1
94.64098	1.0
95.04971	13.6
95.06086	2.7
95.08614	1.9
96.04490	11.4
100.02486	27.2
101.00881	6.5
105.03404	7.8
105.04503	3.2
106.02904	3.4
116.80981	1.0
118.03519	20.2
119.01088	2.0
119.01923	32.9
122.09681	2.5
123.04432	100.0
123.05548	97.5
123.06297	2.3
123.08066	2.5
123.09177	7.5
123.11691	2.7
124.03941	18.2
124.04768	1.7
124.07578	5.6
127.70324	1.0
137.02957	17.7
140.03430	1.2
142.03493	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63783	1.6
57.03433	2.3
69.03420	1.9
71.39107	1.9
82.01443	31.1
82.99837	4.6
96.31961	1.8
100.02487	91.8
101.00886	35.6
101.02592	4.5
118.03526	26.3
119.01915	100.0
131.01875	1.9
137.02972	23.2
142.03508	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63783	1.6
57.03433	2.3
69.03420	1.9
71.39107	1.9
82.01443	31.1
82.99837	4.6
96.31961	1.8
100.02487	91.8
101.00886	35.6
101.02592	4.5
118.03526	26.3
119.01915	100.0
131.01875	1.9
137.02972	23.2
142.03508	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	123.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75576	1.2
70.19516	3.0
70.19887	2.7
72.19571	1.3
82.01447	19.3
82.99842	2.3
96.04485	2.1
100.01820	3.0
100.02486	63.4
100.41856	1.4
101.00878	30.2
101.02601	2.1
112.58818	1.6
118.03528	26.3
119.01923	100.0
137.02959	22.7
142.03493	5.8
143.27010	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0444
Annotation	Tropolone
Peak:m/z	Relative Intensity
50.01589	0.6
51.02381	2.3
53.03943	1.4
55.01864	0.5
55.63703	0.2
64.71980	0.2
65.03931	0.7
67.05159	0.3
67.05504	5.0
70.55766	0.3
77.03928	10.0
78.04256	0.3
81.03412	0.2
82.01433	0.7
84.17751	0.2
95.04965	8.4
100.02479	1.5
101.00882	1.4
105.03399	9.3
105.04490	3.3
106.03687	0.3
111.95300	0.2
118.03519	0.6
119.01917	4.5
123.04426	100.0
124.04757	2.5
137.02969	1.0
142.03479	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.6
51.02378	2.4
53.03952	1.5
55.01858	0.7
62.23690	0.1
65.03935	0.6
67.05507	5.3
70.62708	0.3
76.31425	0.1
77.03933	11.9
79.66095	0.1
81.03422	0.1
82.01449	0.7
83.51487	0.2
84.63992	0.1
88.18145	0.1
95.04974	8.7
95.65840	0.1
96.05316	0.2
97.63145	0.1
100.02492	1.6
101.00885	1.7
105.03400	10.7
105.04481	3.4
105.06076	0.2
118.03509	0.5
119.01925	3.6
123.04433	100.0
124.03907	0.2
124.04761	2.1
137.02965	0.7
142.03511	0.2
142.82242	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	123.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.5
51.02377	2.3
53.03940	1.2
54.40476	0.2
55.01863	0.6
56.34732	0.2
57.42764	0.2
57.69705	0.2
59.31096	0.2
65.03942	0.6
67.05503	4.2
71.45029	0.2
77.03929	10.2
82.01441	0.8
85.92371	0.2
95.04965	8.9
100.02472	1.5
101.00887	1.8
105.03394	10.0
105.04470	2.8
106.03714	0.2
115.38601	0.2
118.03519	0.7
119.01913	4.8
123.04428	100.0
124.03966	0.3
124.04765	1.7
137.02946	1.2
138.35599	0.2
142.03503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0556
Annotation	Nicotinamide
Peak:m/z	Relative Intensity
53.03943	0.5
68.05025	0.3
70.40411	0.3
71.60890	0.1
78.03461	2.6
80.05017	29.7
81.05344	0.8
82.01440	1.5
82.99827	1.0
95.06087	0.3
96.04496	7.4
99.25500	0.1
100.02486	3.7
101.00882	10.7
103.55792	0.2
104.36384	0.2
105.04517	0.3
106.02913	2.1
111.00442	0.2
118.03546	1.5
119.01922	27.3
119.87989	0.1
123.05552	100.0
124.02464	0.4
124.03953	2.6
124.04837	0.2
124.05087	0.2
124.05910	3.0
137.02957	6.1
142.03511	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
50.08116	0.8
53.03941	3.5
55.01871	2.3
55.05514	16.8
57.07069	1.1
65.03934	3.7
65.04245	0.8
67.05505	84.6
68.05825	0.8
69.03420	1.7
69.46954	3.5
77.03912	1.2
78.03461	1.2
79.05486	8.0
80.05019	14.9
80.06274	1.9
80.30151	0.9
81.03413	1.3
81.07056	25.0
91.05483	2.6
93.07047	15.5
95.04980	7.1
95.06050	1.5
95.08606	100.0
96.04503	7.9
96.08949	3.8
98.23415	1.8
100.02483	2.7
101.00868	5.4
105.03412	1.2
105.04485	1.3
105.07024	8.0
106.02922	1.4
106.07386	1.8
107.04969	1.9
108.05743	14.4
108.07660	1.7
112.03955	1.5
118.03520	1.3
119.01922	31.1
121.06472	2.0
123.04456	8.8
123.05557	44.2
123.08070	48.2
123.09103	2.9
123.09884	4.7
123.11700	9.6
124.03951	19.2
124.05872	1.4
124.07582	4.6
124.08364	1.5
137.02956	12.1
140.03404	1.5
142.03499	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
52.74882	0.4
53.03936	0.5
55.01871	0.5
55.05513	3.4
57.07062	0.8
58.89967	0.4
61.68382	0.4
65.03959	0.5
67.05505	14.2
67.32211	0.3
68.05028	0.4
69.03424	0.9
69.07061	0.4
72.44109	0.3
79.05484	3.5
80.05012	5.0
81.07059	16.2
83.38788	0.4
90.39491	0.4
91.05478	0.9
93.07045	2.5
95.04966	5.4
95.06045	0.6
95.08604	10.1
96.04493	3.3
96.08138	0.3
100.02485	0.8
101.00889	1.7
105.04510	0.4
105.07035	2.8
107.09240	0.4
108.05759	3.2
108.07671	0.5
112.03967	1.0
119.01923	9.3
123.04462	3.3
123.05556	17.7
123.08067	100.0
123.11690	5.5
124.03960	7.5
124.04868	0.5
124.05901	0.7
124.07578	1.0
124.08416	3.0
137.02972	2.8
142.03465	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03935	1.1
55.05498	2.0
65.03932	0.6
67.05502	18.0
68.63998	0.5
70.25954	1.1
77.03922	1.2
78.03427	1.0
79.05491	8.3
80.05020	7.1
80.05800	0.5
80.06269	1.4
81.07055	8.5
91.05486	0.7
92.97414	0.5
93.07044	3.8
95.04980	3.7
95.06109	0.6
95.08603	37.0
96.04485	4.5
96.08913	1.1
100.02492	1.6
101.00885	4.0
103.05469	2.0
105.03366	0.7
105.04501	1.6
105.07029	12.8
106.07354	1.2
107.04953	8.6
108.05737	49.5
108.07684	1.6
109.06084	1.3
112.03976	1.8
118.03535	0.9
119.01918	18.5
121.06499	8.0
123.04453	6.1
123.05551	24.3
123.08064	100.0
123.09870	3.3
123.11665	2.8
124.03949	10.9
124.04764	0.5
124.05879	0.8
124.07580	1.9
124.08425	3.5
125.05895	1.0
133.07622	0.9
135.05545	1.1
137.02966	6.1
140.03427	0.9
142.03496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
52.07701	0.6
53.03950	2.2
55.05525	3.5
55.05741	0.7
56.81502	0.6
57.07077	6.3
63.69951	0.6
65.03939	0.9
65.30934	0.6
67.05155	1.2
67.05504	14.1
68.05846	0.8
69.07069	2.0
69.36795	3.2
76.33743	0.6
77.03918	3.9
78.03481	0.8
79.05488	12.7
80.05019	11.6
81.07055	100.0
82.07393	2.8
84.96730	0.6
93.07031	2.0
95.04962	5.4
95.06041	0.9
95.08609	15.6
95.71882	0.7
96.04492	8.2
98.22654	1.2
100.02482	2.2
101.00880	4.8
101.07439	0.6
105.03394	3.3
105.04514	2.0
106.07346	1.5
108.05760	0.6
108.07698	1.6
112.03944	2.9
118.03516	1.2
119.01920	21.2
121.10130	1.5
123.03540	1.5
123.04430	32.7
123.05544	40.7
123.08007	3.8
123.09182	2.4
123.09999	2.1
123.11704	39.0
124.03954	20.8
124.04772	1.5
124.05892	1.5
124.07571	2.5
124.08479	0.6
124.11979	1.2
137.02969	8.7
140.03423	1.5
142.03491	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72977	0.1
51.92892	0.1
53.52583	0.1
70.66660	0.2
82.01441	0.4
82.99848	3.7
83.01521	0.3
93.50181	0.1
96.00901	0.1
96.04514	0.2
100.02480	0.7
101.00883	37.0
102.00935	1.3
102.02245	0.3
111.00459	0.2
112.03984	0.2
118.03548	0.4
119.01922	100.0
120.01999	3.9
121.02360	0.5
124.02483	0.7
124.03926	0.8
137.02960	21.7
138.03001	0.7
142.03497	5.8
143.03682	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04166	0.3
70.89582	0.3
82.01451	0.5
82.99841	4.1
83.01528	0.7
84.01176	0.4
98.22710	0.3
100.02483	1.3
101.00886	40.5
101.02551	1.7
102.00969	1.8
102.02244	0.6
112.04082	0.3
119.01924	100.0
120.01998	3.9
121.02342	0.6
123.83851	0.3
124.02462	0.8
130.95872	0.3
137.02960	20.1
138.03062	0.6
142.03508	6.3
143.03645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76799	0.2
52.80037	0.1
60.00648	0.3
62.25320	0.1
68.05846	0.3
70.61008	0.2
72.30817	0.2
78.03458	0.4
78.04258	0.4
78.04696	0.3
80.05017	6.0
82.01460	0.3
82.06554	0.3
82.99843	2.8
83.01514	0.5
87.72192	0.1
96.04491	1.4
96.05295	0.5
96.08133	0.2
100.02507	1.2
101.00880	32.6
101.02534	1.5
102.00928	1.1
102.02242	0.7
103.69321	0.1
106.03723	0.7
111.00441	0.2
112.04025	0.2
118.03520	0.3
119.01919	100.0
120.01987	3.7
120.03271	0.3
121.02345	0.3
124.02458	0.6
124.03948	14.7
124.04780	5.3
124.07597	4.8
124.08590	0.3
124.09560	0.3
124.11221	0.9
125.07088	0.3
125.10744	1.7
136.57365	0.1
136.58772	0.1
137.02956	22.9
138.03053	1.2
140.03377	0.2
142.03496	5.8
143.03612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
64.42872	0.2
70.84584	0.4
75.43336	0.2
78.03458	0.3
80.05016	3.6
81.05347	1.8
82.01447	0.3
82.06566	0.3
82.99829	3.8
83.01497	0.3
93.97164	0.2
96.04521	1.0
96.05132	0.2
100.02470	0.8
101.00874	35.7
101.02554	1.0
102.00932	1.5
112.03966	0.3
118.03513	0.3
119.01912	100.0
120.01974	3.7
121.02350	0.4
124.02429	0.8
124.03965	3.9
124.04819	0.9
124.05900	5.7
124.07581	3.4
124.11223	0.3
125.10728	0.5
137.02946	23.3
138.02994	1.2
140.03325	0.3
142.03493	6.4
143.03641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Isonicotinic acid
Peak:m/z	Relative Intensity
53.95819	0.5
64.80075	0.6
68.05019	1.2
69.25214	3.2
78.03445	1.8
79.05449	0.7
80.05022	14.0
81.05383	0.7
82.06583	2.1
83.06108	0.6
96.04501	11.0
96.08135	0.5
101.00876	2.0
107.06123	0.6
112.03971	2.1
114.14433	0.6
119.01926	13.7
124.03960	100.0
124.07597	5.2
124.08679	1.8
125.04313	2.1
125.07117	0.9
137.02957	5.9
140.03419	1.0
142.03494	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	124.0395
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
53.03930	0.8
55.01870	0.7
61.12617	0.5
62.76720	0.5
65.50725	0.5
65.91550	0.4
67.05498	0.5
68.05025	1.2
69.03442	0.6
69.12894	0.5
69.91521	1.4
78.03444	2.0
78.04718	0.7
79.10877	0.4
80.05016	46.7
81.04569	0.6
81.05350	1.8
82.05334	0.8
82.06585	6.0
82.99845	0.6
83.06101	0.5
96.04495	13.6
96.08113	0.8
97.04810	0.6
97.07679	0.5
98.79890	0.5
100.02479	1.5
101.00877	11.2
101.02570	1.8
102.02235	1.2
110.04802	6.4
112.03969	4.7
119.01917	58.4
120.02015	3.3
120.03235	0.7
124.03953	100.0
124.04729	5.3
124.05801	5.0
124.07593	36.9
124.08530	0.9
124.11228	1.3
125.04287	1.7
125.07122	5.7
125.07953	1.0
125.10749	1.4
137.02954	26.7
138.03131	1.1
140.03419	3.7
141.28635	0.4
141.83363	0.4
142.03506	4.3
144.03297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01870	0.7
61.12617	0.5
62.76720	0.5
65.50725	0.5
65.91550	0.4
67.05498	0.5
68.05025	1.2
69.03442	0.6
69.12894	0.5
69.91521	1.4
78.03444	2.0
78.04718	0.7
79.10877	0.4
80.05016	46.7
81.04569	0.6
81.05350	1.8
82.05334	0.8
82.06585	6.0
82.99845	0.6
83.06101	0.5
96.04495	13.6
96.08113	0.8
97.04810	0.6
97.07679	0.5
98.79890	0.5
100.02479	1.5
101.00877	11.2
101.02570	1.8
102.02235	1.2
110.04802	6.4
112.03969	4.7
119.01917	58.4
120.02015	3.3
120.03235	0.7
124.03953	100.0
124.04729	5.3
124.05801	5.0
124.07593	36.9
124.08530	0.9
124.11228	1.3
125.04287	1.7
125.07122	5.7
125.07953	1.0
125.10749	1.4
137.02954	26.7
138.03131	1.1
140.03419	3.7
141.28635	0.4
141.83363	0.4
142.03506	4.3
144.03297	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0396
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
51.02379	0.4
66.74379	0.2
69.79788	0.5
69.80137	0.3
78.03456	5.5
79.92102	0.2
80.05019	0.4
82.06559	0.4
86.97460	0.2
96.04493	100.0
97.04819	2.0
98.04932	0.3
98.23312	0.4
101.00871	1.0
106.02901	0.9
116.40990	0.2
119.01921	6.7
119.06064	1.0
124.03953	65.4
124.07568	1.6
124.08595	0.5
124.93698	0.2
125.04305	1.3
125.07079	0.4
125.10809	0.2
130.98994	0.2
137.02930	2.2
138.27458	0.2
140.03429	0.2
142.03571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	100.0
55.05515	29.9
56.02207	1.4
59.53606	1.2
60.85502	1.2
69.07052	3.3
69.90483	4.5
70.06593	1.4
72.19970	1.3
77.72269	1.4
79.05500	5.9
80.05032	2.6
81.07073	4.7
82.06587	9.5
83.04984	7.2
84.96037	4.3
91.05486	1.9
97.07713	1.8
97.10163	1.4
98.23445	1.6
98.98473	3.8
101.59489	1.3
107.06091	1.9
108.04485	6.7
116.97900	1.3
119.01897	1.7
120.01979	7.2
121.01725	3.9
125.00027	5.7
125.06083	2.3
125.07117	7.8
125.07920	2.0
125.09650	3.0
125.10771	4.3
126.05538	10.2
126.06406	1.9
126.58150	1.2
130.28033	1.4
135.63725	1.3
138.03046	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	125.0963
Annotation	2E,4Z-Octadienal
Peak:m/z	Relative Intensity
53.03941	1.6
55.01872	2.1
55.05520	13.2
57.03437	2.4
67.05499	2.8
68.99792	20.5
69.03432	100.0
69.07072	3.7
70.06583	1.9
79.05487	10.5
80.04998	3.7
81.07062	8.8
82.06586	14.0
83.04976	9.8
83.06091	1.3
83.08618	2.2
84.04498	1.2
84.08105	1.0
84.58974	1.3
84.96037	3.3
87.91398	1.1
91.05489	5.0
96.06858	1.2
97.06540	6.9
97.07697	1.1
102.00986	2.1
103.00639	1.2
105.07043	3.1
107.06091	4.1
107.08591	16.2
108.04485	11.1
109.06519	3.3
119.01910	2.7
120.01994	14.0
121.01694	6.3
125.04298	2.0
125.06078	7.4
125.07094	8.9
125.07951	1.5
125.09642	41.7
125.10633	2.6
126.05513	10.0
126.09178	3.3
126.09970	1.8
132.78963	1.1
138.03012	5.5
139.02713	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	126.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
53.31639	0.3
55.01871	0.5
55.05513	20.7
56.05037	3.4
57.03436	0.8
58.06594	0.7
67.05504	0.9
68.05056	0.4
69.03436	2.8
69.18649	2.2
70.02932	0.5
70.06593	5.0
71.04980	0.5
74.99820	0.3
75.49400	0.4
79.05040	0.6
79.05495	8.7
80.05013	2.2
81.03413	1.6
81.07059	24.1
82.06563	0.6
83.04992	0.7
83.08630	8.5
84.04513	2.3
84.08146	4.7
84.96030	2.5
91.05481	2.0
93.05789	2.1
96.04507	2.4
97.02898	0.4
97.05278	12.5
98.06057	10.2
98.09702	7.7
98.22717	0.9
99.04450	0.4
103.00625	0.8
108.04480	6.7
108.08120	14.7
109.02859	1.0
109.06521	22.7
109.10162	0.5
110.06101	0.3
110.06837	0.7
111.06866	0.9
121.01667	3.9
126.05535	6.6
126.09156	100.0
127.03940	1.2
127.04980	0.4
127.07398	0.4
127.09507	2.5
139.02708	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	127.0505
Annotation	6-METHYLURACIL
Peak:m/z	Relative Intensity
53.03954	3.2
54.03473	4.1
55.01860	2.0
55.05497	1.4
56.05039	4.9
57.03418	1.2
57.07049	0.5
58.06599	6.5
58.90643	0.5
61.90558	0.5
65.13402	0.4
67.05500	0.9
69.03426	7.5
70.06572	1.3
70.25424	1.0
71.04994	1.2
81.02969	0.7
81.03419	11.1
81.04527	1.6
81.07059	1.5
82.02945	5.5
82.03738	0.6
82.06580	7.0
84.04501	16.3
84.08141	52.4
85.02883	0.6
85.05186	0.6
85.07664	0.5
85.08472	0.6
86.06065	1.1
86.09698	0.5
88.58780	0.5
95.24799	0.6
97.02879	0.9
98.22836	1.2
99.04442	0.8
100.07601	2.2
109.02866	15.8
109.03989	14.6
109.04739	0.9
109.07600	0.9
110.02402	48.8
110.06063	2.8
111.02740	0.9
121.01659	0.8
122.02040	0.6
127.03932	16.6
127.05024	100.0
127.07067	2.6
127.12301	3.1
128.03462	0.6
128.05461	2.8
128.07079	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	129.0913
Annotation	cis-2-Hydroxymethyl-3-methylcyclopentanone
Peak:m/z	Relative Intensity
53.03956	1.4
55.01875	9.8
55.05516	48.8
56.05838	1.1
57.03433	1.9
57.07078	5.1
58.06604	3.8
58.97674	1.1
59.05006	13.0
67.05505	8.0
69.03439	39.3
69.07073	63.4
70.06598	3.5
71.05000	5.1
73.02921	16.5
73.06551	6.6
74.09726	2.2
74.92075	1.0
77.03938	1.1
82.06583	2.8
83.06124	2.1
83.06950	2.0
83.08627	34.3
83.09101	2.3
84.04514	3.6
84.08149	31.8
85.06573	1.8
86.09712	6.3
87.04485	7.7
87.08116	16.9
91.05499	4.3
93.07043	14.2
95.04971	8.5
96.72197	1.1
97.02908	1.8
100.07667	1.6
101.10788	1.8
102.04709	2.2
104.55043	1.3
111.08086	74.7
112.07615	100.0
112.08315	4.6
112.11247	11.1
113.06026	2.0
116.66840	1.1
117.18308	1.0
128.06245	2.5
129.05475	3.2
129.07077	3.5
129.09140	43.5
129.10234	6.3
129.13907	2.5
130.06551	17.0
130.07553	1.5
130.08640	25.8
130.09396	1.7
130.12303	1.9
130.15909	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	130.1592
Annotation	Octylamine
Peak:m/z	Relative Intensity
52.75239	0.4
57.07076	47.0
58.07402	0.8
61.31342	0.5
69.03434	2.9
69.94378	1.2
69.94746	1.0
72.08172	1.0
74.09717	35.2
75.10050	0.7
78.21429	0.5
84.04533	0.6
84.08152	2.2
98.23409	0.8
112.07596	7.5
124.44413	0.5
130.06519	0.9
130.08629	2.0
130.15919	100.0
131.16246	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	131.0701
Annotation	3-Oxobutyl acetate
Peak:m/z	Relative Intensity
52.27214	0.9
56.05033	1.3
57.03429	4.8
58.07384	1.0
68.05025	1.5
69.03429	1.0
69.07061	1.2
69.54742	4.1
71.04997	100.0
72.04483	1.0
72.05312	2.1
74.09721	1.2
78.23696	0.9
85.08463	1.8
86.06060	1.5
86.09712	5.5
90.05528	1.5
91.05480	5.8
113.07941	2.6
114.25562	1.0
116.06237	1.9
129.06926	1.3
131.06018	1.9
131.06895	2.4
131.08534	8.6
131.16266	4.3
132.06587	5.0
132.08043	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0809
Annotation	6-Methyl indole
Peak:m/z	Relative Intensity
53.03934	0.4
56.05036	1.5
57.03180	0.5
57.03439	5.9
58.02952	1.4
58.47240	0.3
63.81303	0.4
68.05025	0.6
69.03439	0.8
69.07076	1.8
69.91467	1.1
70.06615	0.4
72.04481	0.6
72.08170	0.4
72.93769	0.6
74.02450	3.6
77.03902	0.4
79.05492	1.3
84.04500	1.1
86.06069	1.5
86.09710	16.9
87.04446	0.5
87.05593	1.3
88.03969	0.5
90.05550	0.9
90.90378	1.2
90.94804	0.4
91.05490	2.1
93.05779	0.4
100.63575	0.4
103.05450	0.7
104.04995	1.6
105.07024	8.8
106.06569	0.5
114.05504	0.8
115.05466	10.9
117.05760	39.2
118.06107	1.8
123.80357	0.5
130.06535	4.8
131.07341	3.3
132.04494	2.5
132.06667	6.2
132.08090	100.0
132.95821	0.8
133.06644	2.3
133.07603	1.3
133.08476	3.8
143.06030	1.1
147.11716	0.4
150.96851	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1022
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.17971	0.4
69.07085	2.3
70.94968	0.8
72.08135	0.4
73.06555	0.4
74.02440	1.0
78.99375	0.4
86.09707	100.0
87.10032	2.1
96.51732	0.5
104.33647	0.4
114.50290	0.4
132.10213	1.8
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	L-Alloisoleucine
Peak:m/z	Relative Intensity
50.68261	0.3
55.01851	0.3
55.05509	2.8
56.05017	0.7
57.03435	1.0
57.32111	0.3
58.06590	0.9
59.04991	0.7
60.04520	1.3
60.05660	0.5
60.08158	0.3
61.01145	0.6
68.05029	1.1
69.07066	10.7
70.02953	1.8
70.06583	2.8
72.04513	0.7
72.08151	2.5
72.74351	0.4
73.02917	0.4
73.06535	0.7
73.08492	1.4
74.02441	35.0
82.71820	0.3
83.04984	0.5
84.04528	0.5
85.02885	0.4
86.06071	2.8
86.09705	100.0
87.02708	0.6
87.05588	15.2
87.10030	1.7
88.03981	3.8
90.05551	1.3
98.06062	1.0
99.09377	0.3
101.06009	1.5
105.00109	1.0
114.05542	0.5
114.08464	0.3
114.09120	1.8
115.07603	0.4
115.08718	0.7
115.09505	1.5
116.03446	3.8
118.03525	0.7
119.01942	0.7
131.01901	0.5
132.06566	1.3
132.07631	0.6
132.10211	3.7
132.11267	0.8
133.06065	1.7
145.70795	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.061
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
53.17413	0.4
56.05038	2.6
56.19323	0.5
57.03448	0.5
58.06615	0.6
60.04518	1.3
60.08181	0.7
63.82462	0.4
69.50209	0.9
69.50591	1.2
70.02956	6.2
70.06596	1.4
72.08157	6.1
73.02929	1.0
74.02443	100.0
74.06075	5.7
74.87485	0.4
75.02762	1.1
77.32536	0.4
87.05592	36.1
87.10031	0.9
88.04001	12.4
88.05915	0.5
88.07637	1.0
90.09199	4.3
90.10353	0.4
94.69698	0.4
98.02419	1.1
98.22729	0.6
99.00839	1.2
100.34921	0.4
101.00893	0.4
102.02394	0.5
102.09174	5.3
105.07079	0.7
106.06587	0.4
112.65961	0.5
116.03459	9.3
116.04229	0.7
119.01907	0.6
133.06073	5.3
134.06088	0.6
134.08096	0.5
134.11768	16.4
142.03461	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01862	2.5
67.03313	0.6
70.06573	1.5
70.33090	0.8
70.33422	0.9
74.02440	6.3
77.03922	1.2
79.05490	12.0
87.05588	2.2
87.09997	0.8
88.02204	1.1
88.04018	1.1
91.05466	2.8
95.04958	2.4
103.05458	8.5
105.07028	85.7
106.06627	1.1
106.07359	3.8
107.04958	1.0
115.05462	4.3
131.04897	1.1
132.90549	0.7
133.06490	100.0
133.10089	3.1
134.05966	1.3
134.06854	5.2
134.08073	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0651
Annotation	2-Indanone
Peak:m/z	Relative Intensity
55.01871	1.7
55.05512	5.4
57.03436	2.6
58.33701	1.6
65.60759	1.2
70.00215	3.3
70.00550	1.5
70.06592	1.9
72.08204	1.9
74.02451	3.8
74.96200	1.3
77.03885	1.2
77.86925	1.3
78.94366	1.2
79.05499	11.1
85.55139	1.2
88.02259	2.3
88.04012	1.9
90.04704	1.5
91.05484	18.9
95.04984	2.1
100.79961	1.3
103.05471	9.4
105.03403	1.7
105.07038	100.0
106.07387	3.8
111.94479	1.4
115.05468	3.4
116.07139	1.5
117.07036	1.6
118.04184	10.6
118.07823	1.9
131.08575	3.4
133.06517	74.9
133.07632	12.1
133.10139	28.3
134.03653	1.4
134.06017	5.3
134.06932	3.4
134.08128	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.5
55.05503	5.1
56.54310	1.1
59.96563	1.3
67.05499	1.2
70.06578	1.6
74.02441	3.7
74.06088	1.4
78.25640	1.3
79.05497	11.9
87.10039	3.3
88.02193	1.8
88.03977	1.8
90.04692	4.0
91.05485	14.4
95.04977	3.8
103.05468	9.4
105.04507	1.5
105.07033	97.4
106.06574	3.5
106.07355	2.7
115.05457	3.7
117.07025	2.3
118.04160	14.2
118.07829	1.5
126.07533	1.2
131.04968	1.5
131.08585	3.4
133.06500	100.0
133.07588	7.7
133.10130	22.8
134.06017	3.2
134.06926	4.0
134.08101	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03925	0.5
55.05513	2.8
57.03450	0.6
57.74401	0.4
70.06567	0.6
70.75573	0.7
71.46886	0.4
74.02429	2.4
74.80943	0.4
77.03918	0.8
79.05492	5.6
87.05587	0.6
88.02215	0.8
88.04022	0.6
91.04943	0.9
91.05479	14.9
91.06055	0.7
93.07053	3.8
95.04992	1.1
103.05489	2.9
105.04537	0.9
105.07030	45.2
106.06639	0.6
106.07371	1.2
107.08636	0.7
115.05458	5.0
116.07130	0.7
117.07021	4.9
118.04188	0.7
118.07801	6.7
129.06932	0.5
131.08566	6.5
133.06500	2.4
133.07602	3.5
133.10126	100.0
134.06068	1.1
134.07065	1.1
134.08104	0.9
134.09630	0.9
134.10468	3.6
135.96027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
55.05510	2.6
57.03433	1.7
69.42672	6.1
70.06586	3.4
72.08145	2.4
74.02437	3.4
79.05482	6.0
79.35527	1.4
86.89437	1.3
87.10006	1.7
88.02240	2.2
91.05489	18.6
93.07034	6.0
95.04990	1.5
98.22722	2.6
103.05448	3.4
105.07030	63.6
106.06526	1.9
107.08592	1.9
115.05461	5.7
117.07005	7.0
118.07809	8.5
131.08588	9.6
133.06512	7.6
133.07611	5.2
133.10133	100.0
134.06071	3.4
134.09592	2.3
134.10503	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	133.1014
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
51.72428	0.3
55.05511	1.8
65.03934	0.3
67.05515	0.3
70.06581	0.9
74.02438	1.4
79.05489	4.2
87.05587	0.7
88.02214	0.7
90.04699	0.4
91.05482	13.3
93.07047	4.8
95.04958	1.0
103.05473	2.6
104.06216	0.5
105.07030	40.8
106.07357	1.0
107.08600	0.5
115.05458	4.6
116.06222	1.3
116.06969	0.4
117.07017	5.2
118.07820	5.9
119.08154	0.4
131.08578	5.8
133.06506	1.6
133.07607	3.9
133.10129	100.0
134.06036	1.0
134.07066	0.5
134.09605	0.6
134.10472	3.2
142.08350	0.4
151.07486	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47156	0.3
53.74266	0.3
55.05516	1.8
58.93901	0.3
60.80439	0.3
67.05490	0.4
68.68375	0.3
69.42365	1.5
77.03928	0.8
79.05491	3.7
91.05476	14.3
92.06270	0.5
93.07051	4.1
95.04965	1.1
103.05463	2.5
105.07030	37.6
106.07391	1.3
107.08603	1.2
115.05445	4.1
116.06232	0.8
117.07025	5.0
118.07809	6.9
129.06999	0.6
131.08572	5.6
133.10127	100.0
134.05989	0.4
134.10460	3.5
139.28058	0.3
145.87347	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	o-Phthalaldehyde
Peak:m/z	Relative Intensity
53.03932	1.7
56.59472	0.9
63.02369	2.3
64.48910	0.9
69.65849	0.9
69.99737	2.8
74.02433	1.1
77.03917	2.2
79.05490	17.5
83.68828	0.8
86.55733	0.9
89.03918	97.2
90.04273	2.1
91.05465	1.3
91.81775	0.9
95.04979	6.2
105.04511	3.9
107.04951	20.3
117.03379	45.6
118.03719	1.4
129.41147	1.1
135.04414	100.0
136.02165	8.9
136.04790	2.0
136.06145	4.0
145.03946	1.8
150.82701	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
50.50554	0.7
53.03943	0.7
55.01869	1.9
55.57650	0.8
65.03939	4.1
67.05493	2.5
69.03422	1.4
69.58997	2.9
77.03915	1.5
79.05495	23.7
91.05479	100.0
92.05775	1.6
92.06281	1.6
93.07047	5.0
95.04975	2.8
98.22711	0.9
105.07030	28.4
107.04952	4.6
107.08593	58.1
108.08909	1.2
108.11233	0.8
109.06518	15.3
115.05455	64.8
116.06225	3.6
117.07018	42.4
118.07343	1.1
119.06055	11.0
120.05721	2.8
123.69907	0.8
133.06520	1.8
133.39458	0.7
135.08049	96.5
135.11696	1.6
136.02141	11.1
136.06178	4.7
136.08405	3.2
141.50626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03945	2.1
55.01863	1.1
55.05506	5.2
65.03940	3.3
67.05503	2.0
69.07064	2.7
70.86723	0.9
77.03927	1.7
79.05491	21.7
81.07056	2.2
84.76997	0.9
89.03906	1.4
91.05478	58.8
92.06269	1.7
93.07041	40.3
94.02955	1.1
94.07310	1.2
95.04976	6.3
103.05409	0.9
105.04546	3.0
105.07024	20.3
106.05361	0.9
107.04961	4.2
107.08592	100.0
108.08148	1.5
108.08933	2.8
109.01128	2.3
109.06538	10.6
115.05460	23.3
116.06286	1.5
117.07010	17.9
117.39075	0.9
119.03542	1.7
119.06052	8.3
119.08601	4.4
120.05698	1.0
133.06490	1.0
135.04416	2.1
135.05518	2.7
135.08057	53.0
135.09114	1.9
135.11693	16.6
136.02161	49.1
136.03918	2.2
136.06184	22.5
136.07518	2.7
136.08415	2.1
136.11212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0806
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03945	2.2
55.01867	14.3
55.05507	3.0
65.03940	6.4
67.05507	5.0
69.03438	11.1
70.52499	1.5
70.52811	1.8
77.03929	2.7
79.05495	66.6
80.05818	1.4
84.50598	1.3
85.59242	1.2
91.05484	100.0
92.05796	2.8
92.06285	2.3
93.07047	33.8
95.04967	11.2
105.04533	3.9
105.07035	35.3
107.04970	4.7
107.08595	70.0
108.08191	1.3
108.08932	2.8
109.01113	1.8
109.06528	13.7
115.05460	27.5
117.07024	26.3
119.03555	2.5
119.06061	14.7
119.08553	2.4
120.05739	1.7
128.93150	1.4
133.10147	1.3
135.04446	2.1
135.05545	2.1
135.08058	66.3
135.11696	7.6
136.02167	32.5
136.03885	1.6
136.06187	45.8
136.07372	1.4
136.08421	2.0
137.04646	1.8
137.09602	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1171
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	4.4
55.01874	1.3
55.05507	5.7
65.03944	3.6
67.05495	3.0
69.07062	3.1
77.03918	2.7
79.05495	22.7
81.07056	2.0
82.62668	1.2
89.03922	18.5
91.05484	61.1
91.06056	3.0
92.05811	1.7
93.07046	36.2
94.02931	1.5
94.04047	2.4
94.06590	1.8
95.04956	10.0
96.90204	1.2
105.04520	4.6
105.07030	25.5
107.04958	14.1
107.08595	84.3
108.08154	1.5
108.08914	3.2
109.01096	4.7
109.06520	8.8
115.05460	17.8
117.03378	6.3
117.07049	10.6
119.03512	5.1
119.06072	6.8
119.08588	10.8
120.09372	3.0
120.87045	1.2
135.04416	19.5
135.05544	7.1
135.06549	2.9
135.08058	31.9
135.09119	2.0
135.11694	26.8
136.02170	100.0
136.03868	2.7
136.06190	68.6
136.07513	7.4
136.08380	2.6
136.11197	3.5
137.04564	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03951	1.3
55.05507	8.1
57.07069	0.9
61.30813	0.8
65.03942	1.9
67.05508	2.5
69.07062	2.9
69.13118	4.6
71.77586	0.9
77.03928	1.8
79.05492	17.6
81.07056	3.5
85.17220	0.9
91.05476	31.6
93.07044	57.9
94.04057	1.6
94.06577	1.2
94.07332	1.6
94.07853	1.7
95.04965	6.9
105.04530	3.5
105.07033	11.9
107.04979	1.0
107.08591	100.0
108.08179	1.7
108.08931	4.2
108.27495	0.8
109.01102	2.5
109.06519	3.7
114.74970	0.7
119.03516	5.2
119.06070	4.2
119.08558	4.6
120.09409	1.1
135.04532	1.2
135.05548	2.9
135.06537	1.6
135.09134	1.5
135.11685	23.4
135.12640	1.6
136.02162	67.4
136.03946	2.4
136.06181	82.3
136.07501	3.4
136.11180	2.0
136.12093	1.0
137.04585	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.78236	1.0
51.65696	1.1
53.03932	3.4
55.05516	6.1
64.20544	1.1
65.03928	3.4
67.05495	1.9
69.07058	2.0
69.14280	2.9
69.14693	5.9
77.03922	3.0
79.05047	1.7
79.05495	26.8
81.07026	1.3
89.03915	16.5
91.05479	50.8
93.07043	34.5
94.04110	1.4
95.04980	12.6
98.22616	2.3
103.05425	1.5
105.04516	7.1
105.07037	21.7
107.04967	12.6
107.08594	86.8
108.08163	1.6
108.08936	3.5
109.01093	4.0
109.06519	10.2
114.97815	1.2
115.05459	13.3
117.03351	5.8
117.07037	9.9
118.11968	1.1
119.03543	2.7
119.06064	8.8
119.08599	14.2
120.09364	5.1
121.08893	1.2
135.04414	18.8
135.05505	7.6
135.08064	26.0
135.09097	2.4
135.11694	31.7
136.02167	100.0
136.03897	4.1
136.05103	3.0
136.06181	51.1
136.07544	5.7
136.11171	3.8
136.12086	2.2
137.04558	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	135.117
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	2.6
55.05500	5.3
57.07063	2.3
65.03940	2.3
67.05500	1.7
69.07059	1.9
77.03907	1.7
79.05506	18.0
81.07026	2.3
91.05482	42.9
92.05810	1.3
92.08446	1.0
93.05800	1.6
93.07050	43.3
94.04097	1.4
94.07399	1.4
95.04986	8.7
95.08604	1.3
103.05476	1.8
105.04507	2.9
105.07034	21.0
106.86069	1.1
107.04967	1.4
107.08598	100.0
108.08218	1.0
108.08929	4.4
109.01096	2.9
109.06528	6.0
115.05407	1.2
117.07027	1.7
119.03539	3.5
119.06061	6.3
119.08588	23.8
120.09364	4.7
133.10118	1.9
135.05539	2.2
135.06538	1.7
135.08086	4.0
135.09088	1.5
135.11694	50.4
136.02167	50.3
136.03210	1.8
136.03914	2.6
136.06189	58.0
136.07500	3.2
136.12044	1.7
137.04584	1.8
138.50485	1.0
147.09285	1.9
154.14658	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
51.01900	0.2
52.26030	0.2
67.02969	0.2
69.92225	0.2
78.52905	0.2
78.92771	0.2
92.02460	0.3
94.04053	2.6
109.01096	0.2
109.05131	0.5
112.05151	0.2
119.03552	8.2
123.98530	0.2
136.02170	2.5
136.06183	100.0
137.04594	3.7
137.06622	1.6
137.55981	0.2
150.44720	0.2
151.18959	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66521	0.2
67.03000	0.3
70.38784	0.6
75.01861	0.3
80.27348	0.3
94.04050	2.6
109.05153	0.4
119.03558	7.7
133.47920	0.3
136.06186	100.0
137.04597	4.0
137.06525	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	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50230	0.2
54.40714	0.2
59.60707	0.1
61.70688	0.1
67.02992	0.2
74.63792	0.1
83.97855	0.2
85.03284	0.2
91.05479	0.5
92.02470	0.4
94.04046	2.7
102.24155	0.2
104.67793	0.2
109.05131	0.6
112.05038	0.2
119.02689	0.3
119.03547	7.9
136.06177	100.0
137.04588	4.0
137.06610	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02991	0.2
70.13294	0.4
84.83443	0.2
92.02460	0.5
94.04050	2.4
109.05134	0.5
113.72282	0.2
119.03554	7.7
123.09218	0.2
123.45279	0.2
136.02209	1.2
136.06184	100.0
137.00594	0.2
137.04599	3.7
137.06619	1.6
147.05948	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.02983	0.3
70.04628	0.4
72.82442	0.2
80.96727	0.2
82.28305	0.2
92.02488	0.2
94.04057	2.2
97.98650	0.2
98.23374	0.2
109.01060	0.2
109.05122	0.5
112.05101	0.3
114.55968	0.2
119.03548	8.1
133.70062	0.2
136.02177	3.8
136.06186	100.0
137.04591	3.5
137.06635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	136.062
Annotation	Adenine
Peak:m/z	Relative Intensity
60.58827	0.2
63.43413	0.2
67.02976	0.5
71.42834	0.3
78.12737	0.2
82.04121	0.2
90.74347	0.2
92.02486	0.4
94.04057	2.4
97.31977	0.2
109.05148	0.5
119.03561	7.5
119.82235	0.2
136.06192	100.0
137.04608	3.8
137.05676	0.3
137.06676	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	100.0
56.02207	1.3
56.93740	1.0
65.00642	36.3
66.74268	0.9
69.84887	2.6
73.02919	72.9
104.92236	0.9
109.32374	0.8
109.92312	0.8
118.10720	0.9
119.01643	20.9
137.02623	1.9
137.05997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.44780	0.7
55.80104	0.6
65.03951	0.9
66.04711	2.7
66.71433	0.7
67.05484	1.0
79.05487	3.3
80.05002	0.6
81.07047	1.9
91.05488	4.1
94.04187	27.3
94.06548	0.8
95.04987	1.8
96.04456	0.7
105.04501	0.7
107.04944	1.4
109.06514	1.2
109.07657	1.4
110.06084	1.0
116.24068	0.6
120.04389	0.6
121.06494	1.6
122.03648	50.6
123.04005	1.2
123.06834	0.8
137.02461	2.6
137.05966	100.0
137.09612	1.5
137.10727	1.8
138.01689	1.0
138.05447	2.1
138.06334	2.7
138.09145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02373	0.2
53.03962	0.4
55.01894	0.3
55.40865	0.2
63.62293	0.2
64.86427	0.2
65.03933	0.9
66.04727	3.8
67.05492	0.3
67.32154	0.2
69.03429	0.2
70.42291	0.3
70.42644	0.3
77.03930	0.8
79.05497	3.5
81.07059	1.7
85.52940	0.2
86.18691	0.2
86.22060	0.2
91.05486	3.0
94.04193	30.1
95.04467	0.4
95.05018	0.9
98.86791	0.2
105.03406	0.6
105.04511	0.4
107.04961	1.3
109.06528	0.8
122.03654	52.0
123.03983	1.4
135.04417	0.6
137.05984	100.0
138.06320	3.1
152.39316	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	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
51.73512	0.2
56.86512	0.2
65.03941	6.7
65.04272	0.5
67.58984	0.2
68.53779	0.2
70.83354	0.4
71.30846	0.3
75.07213	0.2
79.05499	1.1
81.07055	1.6
83.50060	0.3
88.10567	0.2
89.80490	0.2
91.05480	100.0
92.05819	2.7
93.07041	0.3
94.04176	0.2
103.05424	0.2
107.04929	0.3
109.06508	3.0
118.45808	0.3
119.04942	37.5
120.05271	0.9
121.06503	2.0
137.05971	34.0
138.06323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	Toluate
Peak:m/z	Relative Intensity
51.64627	0.3
53.03951	0.3
53.85047	0.3
65.03942	5.7
65.24784	0.3
67.90299	0.3
69.30183	0.6
69.30579	0.9
79.05486	1.3
79.09258	0.3
81.07063	2.6
85.46075	0.3
91.05482	100.0
92.05820	2.1
93.07040	0.9
94.04199	0.4
94.06570	0.8
95.05006	0.3
98.22694	0.6
103.05470	0.6
107.04954	0.5
109.06527	3.2
110.06041	0.7
118.98407	0.3
119.04944	37.6
120.05267	1.3
121.06508	8.4
129.15099	0.3
137.05977	38.5
138.05475	5.5
138.06364	0.9
158.79553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.9
56.75103	0.7
65.03948	1.4
67.05502	22.4
69.03409	1.5
69.07079	0.9
69.61552	2.7
69.61887	0.7
70.06657	0.6
77.03934	1.0
79.01648	0.6
79.05509	3.6
81.03403	1.0
81.07057	9.8
90.95605	0.6
91.05477	16.6
91.06046	1.0
92.04912	0.8
93.07054	4.0
94.04169	1.8
94.07807	0.8
95.04974	2.3
95.07651	0.6
95.08610	9.2
103.05466	1.3
105.04507	1.3
107.04964	11.6
107.08590	2.0
108.22407	0.7
109.06553	1.2
109.10153	28.8
110.06003	0.8
117.07001	1.5
119.04932	3.1
119.08569	12.8
121.06497	11.9
121.07312	0.9
122.03700	3.5
122.07287	70.9
123.07628	1.6
135.08069	3.9
135.08936	0.6
137.02509	5.6
137.05878	10.6
137.09616	100.0
138.01747	1.8
138.05498	2.4
138.09978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
67.05508	18.6
79.05499	2.0
81.07049	7.2
91.05479	10.4
93.07055	3.1
95.04962	2.0
95.08606	7.8
103.05418	0.9
107.04951	12.4
107.08559	1.2
109.09415	1.7
109.10161	32.7
117.07042	2.1
119.08578	14.2
121.06515	8.3
122.07289	74.7
123.07622	1.5
125.50356	0.9
131.76215	1.0
135.08034	2.9
137.02463	3.3
137.06013	2.8
137.07224	2.0
137.09618	100.0
138.05489	1.8
138.09969	2.2
154.89377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31536	1.4
53.03934	5.0
55.01872	54.3
55.05509	9.2
57.03429	2.6
58.46900	1.5
65.03941	7.3
67.05507	84.0
69.03429	6.2
69.07079	8.1
70.17970	1.3
79.05496	36.3
81.03418	2.9
81.07059	100.0
82.07391	2.1
86.55636	1.4
91.05480	77.1
93.07035	18.7
94.04184	3.8
95.04398	2.3
95.04968	20.7
95.08609	28.4
103.05431	1.8
105.04523	2.6
105.07020	6.6
107.04945	6.2
107.08595	48.9
108.05627	1.3
109.06519	62.4
109.10156	58.7
110.06070	3.6
117.07011	2.9
119.04939	15.3
119.06055	5.4
119.08575	22.9
121.06507	20.1
122.03618	4.6
122.07295	17.4
123.06814	2.4
137.02524	17.0
137.05907	54.2
137.09618	63.1
137.10657	3.3
137.13277	2.0
138.01740	5.4
138.05492	12.3
138.06398	2.0
138.09103	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	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.72675	1.1
53.03939	1.6
55.01859	2.8
55.05516	6.4
65.03927	3.1
67.05505	51.7
69.03421	3.2
69.07061	2.8
69.35087	4.9
79.05488	5.9
81.03407	4.6
81.07059	19.7
83.04967	2.3
86.37505	0.9
91.05483	42.7
92.05805	1.5
93.07034	6.6
94.04189	3.1
94.07825	1.5
95.04969	13.9
95.08617	8.5
104.06243	1.4
105.04493	2.1
107.04961	10.1
107.08601	4.9
108.05731	2.8
109.06518	47.3
109.10158	45.5
109.25767	1.0
110.06091	2.2
110.06806	1.1
117.06997	2.3
117.40802	0.9
119.04958	7.0
119.06043	5.3
119.08584	15.6
121.06504	7.9
122.07287	56.8
123.07682	1.2
124.76229	1.0
135.08049	2.8
137.02524	4.6
137.05980	13.5
137.09615	100.0
138.01770	1.8
138.05510	4.8
138.09956	2.4
154.31937	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01867	3.1
55.05518	6.0
57.07067	2.2
64.90981	0.9
65.03930	2.5
67.05509	56.8
68.05840	0.9
69.03424	2.1
69.07070	2.2
69.70110	2.9
73.23573	0.9
79.05489	7.5
81.03435	2.2
81.07059	22.7
83.04971	2.2
91.05484	30.2
91.06057	1.7
93.07050	7.1
94.04199	2.5
95.04974	11.5
95.08614	15.8
96.05783	1.0
98.22749	2.0
103.05472	1.8
104.06287	1.1
105.04517	2.2
107.04964	12.5
107.08581	5.5
108.05794	1.0
109.06524	38.7
109.10162	56.5
110.03548	0.8
110.06007	0.9
110.10497	1.5
117.07048	2.8
119.04975	4.3
119.06051	3.9
119.08585	13.0
121.06514	11.7
122.03626	2.0
122.07291	54.1
126.95946	1.2
128.57410	0.8
130.73254	1.0
135.08073	3.0
137.02562	4.5
137.05881	8.9
137.09622	100.0
137.13242	2.9
138.01752	2.5
138.05536	2.9
138.09996	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	137.0963
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	1.9
55.05511	5.4
65.03944	5.7
67.05508	54.7
69.03432	2.5
69.07087	1.9
77.80052	0.9
79.05495	9.1
81.03409	3.1
81.07060	27.6
83.04982	2.3
91.05486	67.4
93.07051	9.2
94.04189	4.9
94.06557	1.4
94.07846	1.2
95.04428	1.2
95.04980	13.2
95.06078	0.9
95.08608	18.6
97.06564	1.3
103.05479	2.5
105.04499	1.3
107.04953	14.7
107.08607	4.8
108.05749	1.5
109.06525	48.3
109.07632	2.1
109.10162	48.5
110.06059	1.9
110.06826	1.1
117.07018	2.6
119.04944	13.1
119.06060	3.3
119.08588	18.7
120.04432	1.3
121.03933	1.0
121.06505	18.9
122.03660	3.9
122.07290	59.1
123.07625	1.1
135.08075	2.2
137.02562	7.3
137.05922	25.4
137.07117	2.3
137.09621	100.0
137.13237	1.7
138.01753	2.4
138.05507	4.1
138.06468	0.9
138.09978	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.9
64.02324	1.4
64.59194	1.2
65.03961	1.7
66.04725	2.0
67.05506	25.7
68.58178	1.2
69.07087	1.2
69.42062	3.5
69.42465	2.9
79.05488	3.9
80.05746	1.3
81.07063	13.3
91.05487	19.1
92.05787	1.4
93.07039	4.0
94.04182	4.9
94.06547	1.6
95.04968	4.7
95.08614	16.3
96.04473	2.6
103.05448	1.6
107.04936	12.0
109.06503	3.0
109.07676	2.0
109.10154	32.4
110.06051	2.3
113.21494	1.3
117.06982	2.1
119.04945	3.4
119.08567	11.7
120.04468	2.2
121.06511	10.0
122.03660	9.4
122.07285	77.3
123.07686	1.8
135.08026	2.4
137.02519	12.7
137.04517	1.3
137.04865	2.7
137.05989	25.3
137.07121	6.7
137.09616	100.0
137.10594	3.5
138.01761	2.6
138.05473	7.1
138.09995	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	137.0963
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
52.64094	0.8
52.99916	0.8
53.03946	1.2
55.05511	1.7
56.74861	0.8
57.07066	0.9
67.05506	21.3
69.03416	1.4
69.07064	1.7
79.05482	3.8
81.06626	1.2
81.07058	12.1
91.05480	15.0
93.07053	4.4
93.96882	1.0
94.04166	2.5
95.04980	3.5
95.08605	8.9
103.05498	1.0
104.06284	1.2
105.04556	1.2
107.04950	12.3
107.08590	1.2
109.06522	1.4
109.10162	30.8
110.01428	1.4
110.06049	2.3
117.07024	3.1
119.04947	1.3
119.08584	14.0
120.04503	1.2
120.77707	0.8
121.06490	8.3
122.03667	3.5
122.07288	78.1
123.07598	1.2
135.08044	3.9
137.02536	6.9
137.04477	0.9
137.04855	1.5
137.05864	11.0
137.07126	3.8
137.09618	100.0
138.01782	1.5
138.05513	4.7
138.09071	1.3
138.10007	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	4-Nitrotoluene
Peak:m/z	Relative Intensity
53.03975	0.8
55.01897	0.4
61.65850	0.2
65.03932	1.2
66.04285	1.3
67.05534	0.6
69.27715	1.2
77.03951	0.9
78.03473	0.4
81.07100	0.3
82.07405	0.4
84.44776	0.2
87.76383	0.3
88.30527	0.2
91.05480	11.0
92.05025	4.7
92.05836	26.4
93.07046	9.3
94.06568	13.7
94.07249	0.2
95.04977	2.3
95.06908	0.3
95.08638	0.3
96.04494	2.4
103.05472	6.9
105.04520	1.4
110.06046	8.9
110.06811	0.8
111.06385	0.3
120.04559	0.2
120.05272	10.9
121.06506	81.7
122.06837	2.3
133.03438	0.3
138.05482	100.0
138.06302	7.7
139.05843	3.1
154.04985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03975	0.8
55.01897	0.4
61.65850	0.2
65.03932	1.2
66.04285	1.3
67.05534	0.6
69.27715	1.2
77.03951	0.9
78.03473	0.4
81.07100	0.3
82.07405	0.4
84.44776	0.2
87.76383	0.3
88.30527	0.2
91.05480	11.0
92.05025	4.7
92.05836	26.4
93.07046	9.3
94.06568	13.7
94.07249	0.2
95.04977	2.3
95.06908	0.3
95.08638	0.3
96.04494	2.4
103.05472	6.9
105.04520	1.4
110.06046	8.9
110.06811	0.8
111.06385	0.3
120.04559	0.2
120.05272	10.9
121.06506	81.7
122.06837	2.3
133.03438	0.3
138.05482	100.0
138.06302	7.7
139.05843	3.1
154.04985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41122	3.2
51.70731	2.8
62.88889	2.8
66.89505	2.8
70.45480	2.6
81.04551	3.5
100.02483	6.4
100.97182	6.0
100.97969	6.8
101.00887	42.5
115.39199	2.7
118.03526	13.0
118.98200	3.4
119.01089	6.8
119.01918	100.0
124.02454	3.9
136.04558	5.1
137.02943	18.7
142.03494	36.8
160.04570	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64783	2.8
67.25875	3.1
69.87453	10.3
78.52190	3.0
82.99842	7.9
100.02513	7.0
101.00892	58.4
101.55090	3.2
118.03529	11.2
119.01933	100.0
122.39428	2.8
124.02422	4.5
136.04562	6.6
137.02977	15.1
142.03519	48.2
160.04556	17.0
163.15434	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04441	2.9
53.87962	3.4
70.52482	4.9
70.52820	4.3
82.28486	3.1
100.02498	5.6
101.00883	46.8
118.03491	13.4
119.01919	100.0
120.02074	4.1
124.02459	4.1
136.04599	4.4
137.02983	16.3
142.03522	37.7
143.03529	3.5
160.04555	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66602	2.9
62.71961	3.3
70.43299	2.5
70.67619	4.6
82.99837	6.9
100.02508	5.6
101.00890	51.9
118.03541	11.5
119.01923	100.0
124.02468	4.5
136.04582	6.1
137.02931	15.7
142.03494	44.4
160.04584	12.5
160.40495	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	144.0326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29650	1.3
56.05027	1.6
60.95853	8.6
60.98722	2.5
61.68476	1.2
61.95198	1.4
62.92983	3.4
69.03419	1.4
70.06592	6.0
70.68657	1.6
71.97990	1.3
72.04508	1.5
77.28346	1.2
78.99778	4.5
84.04513	6.2
84.99613	1.9
85.02902	2.7
97.00820	5.6
98.06053	15.7
98.09698	2.9
99.04445	3.3
101.00873	2.1
102.00928	10.0
102.02218	4.0
102.05582	2.6
102.96873	24.0
103.00640	25.6
103.01317	2.0
116.98624	2.0
119.01926	14.7
120.02032	58.8
120.03268	12.6
120.97908	20.3
121.00808	10.1
121.01654	100.0
121.96627	6.3
126.02206	3.8
126.05518	3.9
134.99635	1.9
137.02977	7.5
138.03072	23.8
138.04311	10.5
138.98940	17.6
138.99861	1.7
139.01805	22.6
139.02725	39.0
144.03220	37.6
144.06537	7.4
144.08087	6.2
144.10225	3.1
144.13898	1.5
157.00000	1.9
162.04300	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0497
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03953	3.0
55.01874	15.1
57.03437	16.8
57.04555	1.3
58.06594	1.4
60.04533	4.1
60.05635	1.7
61.02932	3.7
68.72912	1.0
69.03430	53.6
69.07070	10.6
69.60582	2.2
70.06600	1.3
71.04996	3.5
72.04527	8.2
72.08156	33.0
73.02901	2.7
73.09499	0.8
74.07197	5.2
81.03005	1.2
81.03403	4.5
82.06602	2.4
83.01373	1.5
83.86153	0.8
84.08148	7.2
85.02906	100.0
85.08513	1.1
86.03242	1.6
86.06066	9.4
86.09708	63.0
87.04478	7.4
97.02891	10.0
99.04455	24.1
99.10036	2.7
100.07623	4.1
103.00639	1.6
104.07076	1.2
109.02921	1.6
114.69221	0.9
121.01662	6.8
121.96653	1.9
121.98569	1.0
127.03918	10.8
128.07082	1.7
128.10713	19.3
128.11720	1.4
133.23764	1.1
139.02710	2.0
145.05051	1.7
145.07587	1.1
145.10568	7.5
145.13332	8.2
145.14198	0.9
146.06046	2.4
146.08139	8.5
146.09277	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	145.0496
Annotation	1,5-Anhydro-4-deoxy-D-glycero-hex-3-en-2-ulose
Peak:m/z	Relative Intensity
53.03939	2.5
55.01618	0.8
55.01870	14.4
55.05508	0.8
55.96774	0.6
56.05019	0.6
57.03435	15.2
57.76235	0.6
58.06583	1.0
58.82624	0.5
59.04985	1.0
60.04517	4.9
60.05640	1.4
60.08157	0.6
61.02927	3.0
69.03426	51.5
69.07063	8.7
69.20015	2.0
69.20425	1.7
70.03772	0.6
70.06594	0.7
71.01356	2.0
71.04994	3.1
72.04509	7.0
72.08135	2.1
73.02914	3.5
74.07188	0.6
81.03396	4.1
82.06590	0.8
83.01326	1.4
83.04940	0.8
84.08142	1.0
85.02900	100.0
86.03275	0.8
86.06060	6.6
86.09700	59.7
87.04462	6.2
87.10032	0.9
97.02884	9.9
98.06105	0.7
98.23481	1.2
99.04449	23.2
100.07613	1.7
101.02363	0.7
107.11157	0.7
109.02873	1.1
111.05510	0.7
115.04027	0.5
116.07079	0.7
121.01675	1.7
121.96645	0.8
127.03898	9.4
127.08672	1.5
127.09490	0.6
128.07077	1.1
128.10707	18.3
144.13878	0.6
145.05009	1.7
145.09717	1.9
145.10709	0.8
145.13329	9.3
145.14365	0.9
146.05965	0.6
146.08122	4.0
146.09241	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	145.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	11.8
57.03436	13.0
57.04562	4.7
57.07071	6.9
57.82924	1.7
58.06597	6.2
60.82770	1.7
62.93003	10.2
67.05495	5.8
68.05027	2.1
68.35091	1.6
69.03432	5.3
69.07084	1.8
70.06615	3.3
71.04991	17.6
72.04544	4.3
72.08157	100.0
73.06573	10.1
74.07204	13.2
75.04476	2.1
75.09238	2.5
80.05038	2.3
81.03438	3.5
82.06589	9.4
83.04980	4.6
83.08612	2.9
84.04514	2.9
84.08150	7.1
85.02908	9.5
86.06095	10.9
87.04470	2.5
87.08089	2.4
91.05493	6.9
98.06057	3.2
99.04465	3.3
100.07626	16.1
103.95580	1.9
105.07030	14.3
109.10172	10.6
110.06036	3.7
111.04449	2.9
112.11236	11.7
116.07100	3.9
117.07013	7.4
118.06532	6.6
121.96643	27.8
127.11201	11.9
128.04929	2.5
128.07083	5.7
128.11815	2.3
129.07036	2.1
129.13887	4.2
130.07765	11.8
139.01907	2.1
143.08632	2.6
145.05240	1.9
145.06522	3.2
145.07626	6.3
145.10123	28.1
145.12251	2.1
145.14470	4.6
146.06076	16.4
146.08127	59.2
146.16537	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	145.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
57.03434	1.5
60.04528	8.0
67.32198	0.5
69.03432	4.1
69.06714	0.7
69.07072	13.0
70.93791	0.5
70.99653	0.6
72.04513	16.1
72.08157	2.7
74.07197	0.7
74.75003	0.7
81.03387	0.6
84.08157	0.6
85.02901	10.3
86.06069	1.0
86.09706	100.0
87.04449	1.2
87.10039	1.6
97.02898	1.2
99.04465	1.7
102.12981	0.7
103.00648	1.2
103.12321	1.1
110.65111	0.5
119.01900	1.0
119.70854	0.6
121.01653	3.1
127.03962	0.8
127.08646	0.6
128.10718	31.1
129.11009	1.1
139.02684	0.8
145.13361	14.9
145.14502	0.8
146.08093	0.9
146.15379	1.4
149.23936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.01875	5.7
55.05509	1.0
56.05033	0.9
57.03437	7.9
57.04555	5.6
58.06601	1.5
59.05003	1.7
60.04525	6.3
61.02931	1.2
62.92986	2.5
67.97392	0.7
68.05031	0.9
69.03434	19.5
69.07073	14.2
70.06607	1.6
70.31271	0.9
70.31579	0.9
71.04992	2.0
71.06921	1.0
72.04522	12.7
72.08157	100.0
73.02913	1.7
73.08492	1.2
74.07208	19.6
74.86602	0.6
81.03426	3.1
82.06577	2.0
84.08149	15.3
85.02905	38.3
86.06063	2.8
86.09708	85.8
86.84576	0.6
87.04465	2.4
87.10042	1.6
89.03931	0.7
89.10786	0.9
91.05444	0.7
97.02901	4.2
97.07663	1.9
98.06062	0.8
99.04452	9.6
99.10028	0.8
100.07611	2.6
101.00887	1.4
103.00642	8.1
109.02901	0.6
111.04436	0.8
111.09204	0.8
112.11241	3.5
114.10284	2.2
115.21098	0.6
116.07127	1.2
117.07035	0.7
118.06544	1.1
119.01937	6.1
120.02007	2.1
121.01669	33.9
121.02374	1.4
121.96638	7.3
122.01991	0.8
127.03938	4.6
128.07048	1.0
128.10733	30.6
128.11786	4.8
129.11072	0.9
129.13901	1.0
137.02980	1.6
139.01782	1.0
139.02701	9.3
145.03522	1.9
145.05008	2.7
145.13347	13.2
145.14464	4.4
146.06010	2.3
146.08131	11.7
146.09210	0.6
163.04622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00068	0.5
55.01878	2.9
55.75753	0.5
56.86944	0.5
57.03437	2.9
57.04556	1.2
57.74502	0.6
58.06595	1.0
59.01294	0.5
60.04522	6.6
60.05641	2.3
60.08153	2.1
69.03428	9.3
69.06702	1.0
69.07068	13.8
70.06575	0.7
70.07383	0.5
71.05009	0.8
71.18224	0.7
72.04514	13.6
72.08154	17.1
73.02893	0.6
74.07210	4.0
81.03409	0.6
83.04935	0.6
84.08141	2.1
85.02902	15.3
86.06074	8.4
86.09703	100.0
87.04462	13.7
87.10048	2.1
97.02885	2.1
99.04490	3.5
100.07628	0.8
101.05988	0.8
103.12342	1.4
104.07146	1.1
110.06065	0.6
111.05565	1.2
114.10320	0.6
117.11054	0.6
127.03936	1.3
128.07083	0.6
128.08206	1.3
128.10715	30.4
128.11714	1.2
129.11055	0.9
145.09598	1.2
145.10547	2.2
145.13353	14.2
145.14371	1.7
146.08107	1.6
146.09251	4.8
146.11752	2.1
146.13696	0.5
146.15433	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.06
Annotation	Indole-3-carboxaldehyde
Peak:m/z	Relative Intensity
55.05502	0.7
56.05023	1.0
57.03428	3.0
58.06593	1.4
65.03934	1.6
68.05023	0.4
69.03404	0.5
69.07059	0.5
69.38372	1.8
70.06583	0.7
72.08158	7.3
75.09249	0.4
80.05022	0.7
81.03410	1.3
82.06593	2.2
83.04973	1.4
83.23963	0.5
84.04493	1.5
84.08140	1.1
85.02895	0.4
86.06080	2.4
86.53975	0.4
87.04480	0.4
91.05478	15.6
98.06059	0.5
99.04446	0.4
100.07618	2.6
110.06017	1.2
111.04446	0.6
112.11235	1.5
116.07096	0.6
117.05731	0.6
118.06544	3.8
119.04943	17.5
119.08569	1.4
123.96468	0.7
128.04965	31.5
128.07048	1.6
128.14394	0.4
129.04472	1.2
129.05405	1.2
129.13849	0.6
146.06007	100.0
146.08105	11.6
147.04425	9.4
147.06311	3.5
147.09132	0.5
147.11723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.0602
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
55.05505	0.4
56.05018	0.6
57.03459	2.0
58.06593	0.8
64.92800	0.3
65.03925	0.9
68.05019	0.7
70.45371	0.4
71.01370	0.3
72.08158	9.0
80.04997	0.3
81.03419	0.5
82.06576	1.3
84.04510	2.4
84.08138	0.8
86.03204	0.4
86.06053	1.7
87.04477	0.5
90.04227	0.4
91.05481	24.4
92.25381	0.3
98.06060	0.4
100.07603	2.1
103.43285	0.3
110.06035	0.6
111.04463	0.4
112.11257	1.8
116.07099	0.9
117.05763	4.1
118.06544	100.0
119.04946	9.0
119.06859	3.0
123.96432	0.7
128.04965	1.1
128.07065	0.8
129.05551	0.4
129.13896	0.3
130.05016	0.8
146.06018	19.6
146.08078	8.7
147.04410	4.4
147.05443	0.6
147.06390	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	146.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
55.05508	3.9
56.05025	5.3
57.03438	18.2
57.07080	6.9
58.06601	6.8
64.92797	4.3
65.03933	4.4
68.05022	3.2
69.03426	3.4
70.06598	2.2
70.33602	2.3
71.04985	3.0
72.04510	2.5
72.08157	61.2
75.09242	2.1
80.05012	2.0
81.03414	5.2
82.06578	13.9
83.04967	4.5
84.04504	5.4
84.08144	6.3
86.06072	15.6
86.09708	100.0
87.04456	3.7
87.10020	2.3
91.05480	33.4
98.06055	2.2
99.42496	1.3
100.07613	21.9
110.06040	5.6
111.04440	3.4
112.11248	14.9
116.07094	7.7
118.06557	2.0
119.04941	36.5
119.08601	1.2
123.96489	7.2
128.07057	10.1
129.05486	2.1
129.13869	3.2
146.06003	8.2
146.08119	75.2
146.11754	13.7
146.16559	2.1
147.04405	21.2
147.05547	4.9
147.09268	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	146.1653
Annotation	Spermidine
Peak:m/z	Relative Intensity
50.34631	0.5
55.01851	0.6
55.05502	1.4
56.05031	2.6
56.28801	0.5
57.03437	8.5
57.17823	0.4
58.06340	0.7
58.06600	9.1
62.62004	0.4
64.92812	3.1
65.03919	0.9
66.08636	0.4
68.05015	1.3
68.98476	0.5
69.03422	1.7
70.03757	0.6
70.06587	1.7
71.04992	0.8
72.04517	0.9
72.08154	100.0
73.08493	1.9
75.09238	3.8
80.05016	0.7
81.03407	1.7
82.06577	4.9
83.04980	2.1
83.06875	0.4
83.43111	0.5
84.04501	13.5
84.08138	14.6
85.02904	0.7
86.03238	1.6
86.06061	5.4
87.04464	2.0
90.04256	0.7
91.05484	6.1
98.06048	1.3
100.07616	7.0
100.11249	1.1
101.07124	0.8
102.05527	1.0
104.07156	0.6
110.06034	1.7
111.04436	1.4
112.11240	25.6
113.11557	0.6
116.07089	2.8
118.06550	2.5
118.37349	0.5
119.04939	7.1
121.01631	0.6
121.96615	0.6
123.96469	5.4
128.07047	3.1
129.13872	6.0
130.04974	4.8
130.08661	0.7
146.06128	5.6
146.08119	28.7
146.16530	2.4
147.04391	4.6
147.05530	1.4
147.09181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
52.68893	0.7
54.40662	0.8
55.59652	0.7
57.02351	0.7
64.92813	1.6
65.03949	6.8
69.63924	3.1
72.08161	10.2
73.07869	0.9
73.08495	8.7
84.04525	2.8
84.08137	1.8
85.64187	0.8
87.82232	0.7
91.05486	87.3
92.05809	2.8
112.11246	1.3
113.11603	2.5
118.15354	0.9
119.04950	100.0
120.04519	1.0
120.05276	3.5
123.96467	3.5
124.65150	0.9
142.46217	0.9
145.80923	0.8
146.91832	1.2
147.04420	53.7
147.05498	3.3
147.08287	1.2
148.03906	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
56.14849	0.6
65.03945	7.0
69.09888	4.3
91.05481	76.6
92.05798	1.9
98.23529	1.5
100.57901	0.6
119.04945	100.0
120.05280	2.8
133.21841	0.6
147.04414	53.4
147.06351	3.0
147.09241	0.8
148.04723	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
55.33601	1.0
61.36309	1.0
61.83240	0.8
65.03940	7.3
84.04525	1.2
91.05482	83.1
92.05808	2.0
110.96243	0.9
119.04944	100.0
120.05271	2.2
147.04405	59.1
148.04759	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
64.92815	0.8
65.03938	9.0
70.73229	0.9
79.06876	0.5
84.04506	1.8
89.88596	0.5
91.05479	88.1
92.05813	2.3
98.23395	0.7
119.04940	100.0
120.05270	3.1
123.96469	1.1
130.04990	0.9
130.24641	0.4
147.04402	51.4
148.04744	1.4
157.49023	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16620	0.7
62.17508	0.6
65.03939	8.2
68.69441	0.6
70.06758	1.8
72.94346	0.7
78.23681	0.6
84.04499	1.5
85.81597	0.6
87.44906	0.7
87.73751	0.6
91.05484	82.8
92.05820	1.9
95.05031	0.8
98.22792	0.8
102.46433	0.6
119.04946	100.0
120.05285	2.1
123.96439	0.7
147.04414	53.3
148.04785	1.4
155.83026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0766
Annotation	D-Glutamine
Peak:m/z	Relative Intensity
55.01880	0.4
56.05034	3.5
56.91360	0.4
58.06606	0.5
60.91754	0.4
63.54851	0.4
64.92822	0.6
70.06595	9.2
70.06985	0.5
70.77596	0.5
72.08154	0.7
84.04508	100.0
84.08145	26.6
85.02909	1.4
85.04849	1.6
85.06553	0.4
86.05315	0.4
88.03986	0.5
88.07638	1.0
91.05483	1.1
92.05006	0.4
100.07621	0.9
101.07149	2.8
101.07909	0.6
102.05556	4.4
102.09198	0.7
112.07678	0.5
119.04965	1.3
123.96473	1.1
129.10245	0.6
130.05009	38.0
130.08655	4.8
130.09587	0.6
142.91335	0.4
147.04465	0.6
147.05547	1.6
147.07550	0.8
147.08493	0.6
147.11816	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.71759	0.8
56.03841	0.9
64.92810	10.3
69.44433	3.2
77.73917	0.8
78.73529	0.7
79.05478	1.8
84.04523	1.3
90.05022	0.8
91.05482	31.1
92.05830	1.2
93.07041	1.8
103.05465	2.6
104.06230	2.3
105.07045	2.5
107.04937	2.3
115.05469	1.7
117.07018	16.6
119.08583	100.0
120.08915	3.5
123.96463	19.5
123.97309	1.7
124.96751	1.0
128.06279	0.9
129.07013	7.2
132.05690	6.5
146.98073	1.8
147.05563	2.0
147.08061	47.6
147.09163	4.1
147.11674	1.6
148.08478	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0805
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
50.40572	0.6
63.15731	0.7
64.92809	6.2
68.45277	0.6
79.05489	1.4
84.04521	0.7
84.08134	1.2
91.05482	22.4
93.07035	1.3
99.45534	0.7
103.05463	2.6
104.06243	1.9
105.07022	3.3
115.05457	1.2
117.06180	1.0
117.07018	16.6
119.08583	100.0
120.08913	2.7
120.68327	0.7
123.96460	13.0
123.97308	1.1
129.07027	7.6
132.05705	0.9
146.98030	0.9
147.04489	1.0
147.05548	3.5
147.08058	24.7
147.09198	3.3
147.11708	1.9
148.03964	0.8
148.07468	0.6
168.97356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0806
Annotation	4-Isopropenylbenzaldehyde
Peak:m/z	Relative Intensity
51.54867	0.4
64.54823	0.4
64.92809	3.0
69.16730	0.9
69.17138	1.8
77.37656	0.4
79.05495	1.7
91.05482	24.1
93.07046	1.5
98.22752	0.8
103.05470	2.4
104.06227	1.5
104.90746	0.5
107.04948	0.7
115.05465	0.9
117.07021	16.0
119.08579	100.0
120.08894	3.1
123.96462	5.6
128.06230	0.9
129.06990	5.7
132.05722	1.3
147.05592	2.4
147.08051	25.5
147.09163	2.0
148.08459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05509	11.9
64.82244	1.4
67.05506	2.2
69.07064	5.3
70.73038	1.6
72.08152	2.9
73.08488	3.9
79.05490	6.5
84.08173	1.3
85.02936	1.4
91.05482	47.1
92.05782	1.4
93.07033	2.8
95.04937	2.0
103.05489	3.1
105.07028	77.4
106.07355	2.9
107.08590	8.2
116.06252	2.1
117.07021	11.0
118.94463	1.5
119.04935	11.0
119.08579	100.0
120.08920	3.1
123.96428	2.1
129.06996	3.1
129.61292	1.2
131.08598	1.7
132.09337	4.4
145.10114	8.0
147.04471	7.3
147.05505	2.5
147.08083	4.0
147.09209	3.4
147.11687	76.2
148.12042	4.5
151.22241	1.7
157.48241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15252	0.9
55.05518	9.4
64.92805	2.0
65.03931	2.4
67.05500	1.9
69.07063	3.8
70.32078	1.7
72.08143	3.2
73.08490	3.9
79.05498	6.8
81.07086	1.5
84.04501	1.6
84.08156	1.9
91.05482	41.3
92.04994	1.0
92.05846	1.5
93.07051	3.8
103.05467	3.4
105.07034	79.6
106.07314	1.7
107.08604	8.5
113.11564	1.2
115.05444	0.9
116.06265	1.5
117.07024	14.5
119.04948	12.5
119.08585	100.0
120.04470	1.6
120.08916	4.4
121.74593	0.9
121.75494	0.9
123.96447	3.4
129.07033	1.5
131.08586	1.9
132.06754	1.0
132.09341	3.7
145.10150	7.3
147.04430	8.2
147.05489	2.1
147.08131	3.9
147.09216	3.9
147.11691	77.0
148.03911	1.4
148.07529	1.6
148.12025	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	149.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
60.27084	0.6
65.03944	26.1
67.05497	1.4
68.69611	0.5
73.35078	0.6
75.85474	0.5
77.03928	1.3
79.05042	1.4
79.05493	22.6
82.04031	0.8
82.06433	0.6
84.20095	0.5
85.04848	0.7
91.05484	5.7
93.03403	6.6
93.07043	18.0
94.06577	5.3
95.04970	5.2
103.05470	58.1
104.05814	2.2
105.04519	2.2
105.07017	1.2
106.06539	0.9
107.04958	13.9
109.05131	2.7
111.04449	6.7
119.03580	0.8
121.02867	41.4
121.03973	13.6
121.06497	7.6
122.03173	1.5
122.06033	11.3
131.04932	8.4
133.05103	2.9
149.02344	100.0
149.05968	4.7
149.07101	2.4
150.02708	3.3
150.05569	11.5
150.07753	56.7
151.19501	0.6
167.03363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03942	2.3
53.26356	0.8
55.01875	1.3
57.69034	0.9
65.03941	27.0
67.05472	0.9
69.03419	1.7
69.20821	0.8
69.38892	3.4
75.31239	1.0
77.03921	1.5
79.05500	14.6
81.07052	1.7
86.34534	0.9
91.05480	26.2
91.06057	1.4
93.03405	7.3
93.07047	33.2
94.07362	1.0
95.04968	5.5
103.05463	6.6
105.03407	1.3
105.04498	2.5
105.07032	24.8
106.07807	2.6
107.04952	2.1
107.08584	7.3
107.89452	1.0
109.06525	1.9
111.04449	5.5
115.05441	0.9
116.06248	4.4
119.06130	0.9
119.08564	3.6
121.02866	38.6
121.03982	15.6
121.06520	8.3
121.10147	24.9
122.04342	1.0
122.06033	1.5
123.08026	2.2
129.07001	1.2
131.08572	9.9
133.07591	2.7
134.07217	1.3
149.02341	95.4
149.05988	5.4
149.09613	100.0
150.02658	3.6
150.05472	2.0
150.09990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
53.26356	0.8
55.01875	1.3
57.69034	0.9
65.03941	27.0
67.05472	0.9
69.03419	1.7
69.20821	0.8
69.38892	3.4
75.31239	1.0
77.03921	1.5
79.05500	14.6
81.07052	1.7
86.34534	0.9
91.05480	26.2
91.06057	1.4
93.03405	7.3
93.07047	33.2
94.07362	1.0
95.04968	5.5
103.05463	6.6
105.03407	1.3
105.04498	2.5
105.07032	24.8
106.07807	2.6
107.04952	2.1
107.08584	7.3
107.89452	1.0
109.06525	1.9
111.04449	5.5
115.05441	0.9
116.06248	4.4
119.06130	0.9
119.08564	3.6
121.02866	38.6
121.03982	15.6
121.06520	8.3
121.10147	24.9
122.04342	1.0
122.06033	1.5
123.08026	2.2
129.07001	1.2
131.08572	9.9
133.07591	2.7
134.07217	1.3
149.02341	95.4
149.05988	5.4
149.09613	100.0
150.02658	3.6
150.05472	2.0
150.09990	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
57.07075	1.7
60.16491	0.8
65.03943	27.8
69.07071	1.3
69.17717	0.8
75.07293	0.7
77.03932	1.4
78.04748	2.0
79.05501	4.5
80.08315	0.8
85.83673	0.8
87.57789	0.7
91.05481	11.2
93.03407	8.1
93.07050	9.3
95.04964	3.4
103.05472	2.8
105.03414	1.1
105.04520	1.9
105.07037	12.6
106.04184	5.7
107.08603	16.2
108.04500	1.2
109.06496	1.2
111.04436	7.4
119.06139	1.0
119.08619	4.0
121.02875	40.2
121.03980	16.6
121.06512	7.3
121.10149	41.1
122.03295	1.6
122.06035	1.4
122.10483	1.4
123.08073	1.9
131.08560	1.1
133.07614	1.7
134.03604	1.4
149.02347	100.0
149.05991	5.6
149.07043	1.8
149.09637	3.3
149.13255	7.7
150.02672	4.2
150.03711	1.5
150.05490	1.8
150.07713	2.0
167.03368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Hormodirene
Peak:m/z	Relative Intensity
51.69781	0.9
52.40746	0.9
55.01867	1.5
55.05511	4.6
57.04816	0.9
58.48164	0.9
65.03941	32.3
67.05210	1.1
67.05510	12.5
69.07069	8.3
73.06870	0.9
79.05497	19.8
81.03413	1.5
81.06561	1.5
81.07058	30.0
83.08614	2.2
91.05479	8.7
93.03394	7.6
93.07045	31.7
93.54483	1.1
94.06548	1.2
95.04976	2.9
95.08608	6.4
105.04529	1.5
105.07045	3.1
107.04959	13.9
107.08599	27.0
108.04529	1.5
108.05259	0.9
109.01073	1.0
111.04440	7.1
119.06002	1.0
120.05715	1.6
121.02869	39.7
121.03979	17.2
121.04800	1.8
121.06543	1.1
121.07568	1.0
121.10149	9.0
122.03212	1.8
122.06054	5.1
149.02345	100.0
149.07056	2.4
149.09625	7.7
149.13258	25.3
150.02725	4.5
150.03726	2.0
150.05518	4.2
150.07753	2.9
150.09015	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
57.07075	1.7
60.16491	0.8
65.03943	27.8
69.07071	1.3
69.17717	0.8
75.07293	0.7
77.03932	1.4
78.04748	2.0
79.05501	4.5
80.08315	0.8
85.83673	0.8
87.57789	0.7
91.05481	11.2
93.03407	8.1
93.07050	9.3
95.04964	3.4
103.05472	2.8
105.03414	1.1
105.04520	1.9
105.07037	12.6
106.04184	5.7
107.08603	16.2
108.04500	1.2
109.06496	1.2
111.04436	7.4
119.06139	1.0
119.08619	4.0
121.02875	40.2
121.03980	16.6
121.06512	7.3
121.10149	41.1
122.03295	1.6
122.06035	1.4
122.10483	1.4
123.08073	1.9
131.08560	1.1
133.07614	1.7
134.03604	1.4
149.02347	100.0
149.05991	5.6
149.07043	1.8
149.09637	3.3
149.13255	7.7
150.02672	4.2
150.03711	1.5
150.05490	1.8
150.07713	2.0
167.03368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0551
Annotation	5-Hydroxyoxindole
Peak:m/z	Relative Intensity
53.03912	0.6
56.05000	0.5
57.00227	0.2
57.03445	0.2
57.04529	0.3
60.67134	0.2
65.03945	1.2
66.04250	0.6
67.05505	4.9
68.05008	0.3
70.13744	0.5
72.93761	0.4
77.03890	0.2
79.05494	0.9
80.05029	0.2
80.05786	0.3
81.46474	0.2
82.04042	0.4
88.44187	0.2
90.90369	0.3
90.94814	0.4
91.05479	2.6
91.42792	0.2
93.05781	0.4
94.04124	0.8
94.06567	16.6
95.04966	1.0
95.06924	0.2
96.04503	0.3
104.04955	0.2
104.05843	0.4
105.04491	0.3
105.07007	0.9
106.04052	0.2
106.06555	3.9
108.05598	0.2
109.05130	2.9
119.01840	0.3
119.03550	0.6
119.04926	1.1
121.02876	0.3
121.06480	0.2
122.03194	1.2
122.06029	22.7
123.06573	0.8
131.96172	0.2
132.04442	0.3
132.05315	0.3
132.06592	0.3
133.05095	4.4
134.04582	0.2
135.05455	0.3
137.04567	0.2
148.03889	0.3
149.94131	0.2
149.97284	0.2
150.02814	4.1
150.05536	43.0
150.07742	100.0
151.03958	0.3
151.05965	0.8
151.07579	0.9
151.08307	0.9
168.06566	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	150.0585
Annotation	D-Methionine
Peak:m/z	Relative Intensity
53.03937	0.6
55.02989	0.2
56.05033	100.0
56.96547	0.3
57.03432	0.9
57.03683	0.1
57.04533	0.3
57.05367	0.9
58.06595	0.4
58.99593	0.7
59.04966	0.2
59.96748	0.1
61.01148	60.3
62.01480	0.3
65.03924	0.7
66.04274	0.4
67.05500	3.6
69.03418	0.1
70.06580	0.3
71.04990	0.2
73.02920	0.2
74.02008	0.3
74.02438	6.9
74.06078	7.1
74.99056	0.5
75.02690	0.8
77.00623	0.5
79.05492	0.5
79.05904	0.1
81.03419	0.3
82.01468	0.2
82.04056	0.4
84.04501	2.8
85.01128	0.5
85.02903	2.9
86.06104	0.2
86.09702	14.1
87.02688	12.9
88.07632	0.4
89.04240	0.3
91.02176	0.3
91.05460	0.2
93.03460	0.1
93.05759	0.2
94.04070	1.0
94.06563	10.7
95.04961	0.4
96.04500	0.3
97.02892	0.1
98.97539	0.2
100.02491	0.4
100.11254	0.4
101.00871	0.3
101.12064	0.9
102.05536	20.4
103.05927	0.2
104.05324	70.2
105.00066	1.0
105.03741	1.3
105.04443	0.2
105.05686	0.8
105.07026	1.4
106.04031	0.2
106.06553	3.0
107.07377	0.2
108.05607	0.4
109.05119	2.3
111.04405	0.1
112.05087	0.2
115.02225	0.2
117.99062	0.2
118.03555	0.3
119.01908	1.5
119.03535	0.6
122.03193	0.7
122.06026	6.2
122.07298	1.0
123.06657	0.4
128.01997	0.3
131.96164	0.4
132.06567	0.4
133.03185	45.0
133.05103	3.2
134.03516	0.8
134.04509	0.2
135.05396	0.5
137.02972	0.3
137.04590	0.4
142.03508	0.2
145.03485	0.5
146.03021	0.7
148.03931	0.2
148.06137	0.2
149.97253	0.6
150.02776	2.6
150.05653	19.8
150.07739	91.9
150.10379	22.4
150.96887	0.2
151.04568	0.3
151.05913	0.3
151.08176	1.1
168.06563	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	150.0776
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
55.02995	0.2
56.05025	0.5
57.04552	0.4
60.14363	0.1
61.01144	0.2
67.05491	0.1
70.61913	0.2
71.04977	0.3
80.04993	0.2
82.04049	0.3
82.28904	0.1
86.09715	0.7
94.04057	0.9
94.06571	0.6
104.05331	0.4
105.07001	0.1
106.04031	0.2
106.06548	0.3
108.05614	0.5
109.05131	2.4
112.05054	0.1
119.03546	0.4
122.06036	0.6
123.06632	0.5
131.00381	0.1
133.03224	0.3
133.05095	3.1
134.04619	0.2
135.05380	0.4
137.04559	0.2
150.07745	100.0
151.08182	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
50.98619	1.2
51.02376	1.0
53.03938	3.6
55.01870	1.7
55.05513	100.0
57.03432	1.8
65.03941	1.8
67.05511	9.1
69.03425	4.5
69.07067	2.8
69.49784	2.7
69.50170	3.0
79.05499	6.9
81.03441	1.2
81.07060	23.8
83.04988	3.1
87.01021	1.2
89.06021	1.4
91.05484	14.1
93.07050	19.8
95.04964	10.5
95.08611	4.5
97.06550	8.4
105.04528	1.2
105.07027	13.1
106.06562	1.9
107.04965	3.5
107.08589	12.8
109.06525	12.4
109.10166	7.5
110.06047	1.4
115.04390	1.2
119.04904	5.7
121.10149	3.3
121.37445	1.1
123.04457	6.1
123.05540	1.2
123.08076	6.5
123.09126	1.0
123.11707	6.9
133.07605	1.7
133.10109	8.6
134.06073	2.5
135.04443	2.6
136.05281	1.5
151.02817	5.2
151.03955	6.4
151.05948	2.1
151.07564	6.9
151.08681	5.6
151.11186	12.1
151.12277	1.7
152.03455	1.1
152.05972	1.2
152.07059	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	151.1119
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03944	3.1
54.27915	0.8
55.01863	1.7
55.05513	100.0
56.05852	1.0
60.86967	0.9
63.51713	0.8
64.28094	0.9
67.01775	0.9
67.05502	7.4
69.03412	2.1
69.07062	1.5
69.88052	1.9
69.88409	2.0
70.27029	0.9
71.04960	0.9
78.61343	1.0
79.05496	5.1
80.88921	1.0
81.07059	15.1
83.04990	2.7
85.79339	0.8
89.06011	1.7
91.05477	8.1
93.07047	8.1
95.04974	8.9
95.08598	2.0
97.06543	7.9
98.23386	1.8
105.04510	0.9
105.07045	8.2
107.04951	5.0
107.08606	7.9
109.06522	6.5
109.10155	5.5
110.06890	1.0
119.04931	1.0
121.06508	1.7
121.10175	1.4
123.04442	22.2
123.08064	1.8
123.11687	4.0
133.10112	4.5
151.02858	1.7
151.03922	10.4
151.05882	1.1
151.07539	2.0
151.08646	2.2
151.11205	7.6
152.03418	1.2
152.07042	2.1
161.60776	0.9
163.94374	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
54.05481	0.7
55.01873	1.4
55.05514	1.7
57.07058	1.0
57.54157	0.7
59.05014	0.9
64.22582	0.8
65.03942	1.2
67.05513	8.9
69.03423	2.1
69.07059	1.2
71.45741	0.9
79.05499	6.5
81.07055	17.0
83.04987	1.4
84.02684	0.8
89.06020	1.3
91.05476	6.8
93.07034	8.8
95.04967	4.3
95.08607	10.3
97.06519	0.8
105.07027	13.2
107.04947	1.7
107.08607	6.2
108.98930	0.7
109.06523	18.4
109.10157	9.5
110.06087	0.8
119.04891	0.7
120.28653	0.7
121.10097	2.1
123.08082	7.9
123.11694	4.1
124.07619	0.9
124.93665	0.8
133.06534	0.8
133.10115	5.6
134.06042	0.9
136.08850	2.0
151.02914	1.5
151.04019	1.5
151.04979	1.1
151.07539	8.9
151.08656	3.0
151.11180	100.0
152.07002	2.1
152.11572	1.6
156.95763	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Guanine
Peak:m/z	Relative Intensity
55.02990	0.4
56.05034	0.2
69.80167	0.6
69.80519	0.3
79.05501	0.2
82.04063	0.3
82.43346	0.2
85.23548	0.2
86.09698	0.6
98.97559	0.3
107.03570	0.4
107.04999	0.2
108.08143	0.9
109.05141	1.3
110.03532	10.4
110.97568	0.3
128.04567	3.6
128.36470	0.2
134.04637	0.9
134.06038	1.2
135.03027	19.1
136.01459	0.5
147.01404	0.5
152.05681	100.0
152.10750	1.7
153.04082	23.1
153.05885	1.3
154.02466	0.4
160.72859	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88920	0.3
68.47487	0.3
78.77076	0.3
82.04089	0.6
86.09685	0.8
96.04494	0.4
107.03610	0.3
108.08115	1.0
108.16434	0.3
109.05119	1.5
110.03529	10.8
110.06062	0.6
115.44843	0.3
124.07626	0.6
127.40965	0.4
128.04582	3.4
134.04645	1.3
134.06003	3.2
135.03024	18.3
136.01392	0.6
147.01375	0.7
152.05679	100.0
152.10774	2.4
153.04083	24.2
154.02466	0.9
172.43716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
56.76782	0.8
59.72940	0.8
70.07906	1.4
73.13073	0.7
73.50629	0.7
75.48724	0.7
77.03930	1.4
79.05493	9.0
81.03398	0.9
87.06828	0.8
88.15380	0.7
89.54487	0.6
95.04967	2.1
98.23348	1.2
100.48359	0.8
106.06555	42.8
107.04956	53.1
109.02856	4.0
110.03532	3.5
123.04433	33.8
124.04790	1.1
124.07571	6.7
128.04503	0.8
134.06017	100.0
135.03055	4.6
135.04416	31.7
138.03107	0.7
146.76491	0.9
152.05692	32.5
152.07063	64.8
153.04071	7.7
153.05476	3.3
153.07275	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0707
Annotation	2-Amino-3-methylbenzoate
Peak:m/z	Relative Intensity
56.96574	1.3
57.03422	1.0
59.56057	0.8
60.11037	0.8
61.94619	0.9
67.05495	1.1
70.95152	2.0
77.03947	2.0
79.05496	15.7
81.03425	2.0
89.03928	1.2
95.04947	2.0
105.03377	0.9
106.05824	1.6
106.06556	47.4
107.04955	100.0
108.05293	1.2
109.02866	7.9
110.03549	12.3
110.97613	1.0
123.04432	24.0
124.07600	1.8
128.04555	2.8
134.06017	95.1
135.03033	12.4
135.04414	52.1
135.05469	1.1
135.06216	1.4
136.04837	1.1
137.02316	1.8
138.03160	2.0
148.76587	0.9
152.05681	81.4
152.07060	75.6
153.04073	17.1
153.05478	6.2
155.89064	0.8
157.43590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
57.37149	0.9
61.38458	0.9
69.14915	6.0
70.95874	1.4
79.05501	11.3
81.03407	3.1
88.96922	1.0
95.04988	2.2
96.08143	1.0
104.58592	0.9
105.04517	1.6
106.06567	22.8
107.04961	100.0
108.05269	1.0
109.02901	7.1
110.06051	2.5
123.04430	1.7
125.05981	1.8
134.06020	27.9
135.04420	66.3
136.03891	1.1
137.04700	1.2
152.07077	63.3
152.10692	2.7
153.07457	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0708
Annotation	(R)-Mandelamide
Peak:m/z	Relative Intensity
53.03939	0.8
56.79514	0.5
63.02364	0.5
69.71175	1.5
73.58415	0.5
77.03946	1.2
78.16786	0.4
79.05494	12.9
81.03433	2.0
86.02581	0.4
89.03899	0.6
95.04957	3.2
105.04495	1.2
106.05809	0.6
106.06560	21.2
107.04958	100.0
108.05301	1.9
109.02887	8.3
110.06032	0.7
111.48927	0.4
123.04464	1.0
124.07622	0.7
125.05999	0.8
134.06023	27.1
135.04420	57.4
136.04749	1.1
152.07069	61.9
153.07495	0.8
154.78191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.1435
Annotation	AMANTADINE
Peak:m/z	Relative Intensity
53.03933	0.2
54.31574	0.2
55.05510	0.2
59.05005	0.5
60.02477	0.2
62.97319	0.2
64.27457	0.2
67.05479	0.5
69.30012	0.2
69.53147	0.9
70.94254	0.2
70.95867	0.9
79.05474	1.6
81.03414	0.4
81.07054	0.5
82.06590	0.3
93.07031	1.4
95.04977	0.3
96.08141	0.4
106.06550	0.5
107.04944	0.2
107.08588	1.6
110.06101	0.6
111.04435	0.3
111.98455	0.3
115.69476	0.2
124.07597	0.4
134.06017	0.8
135.11690	100.0
136.03951	0.3
136.12024	2.0
152.03473	0.4
152.07056	3.0
152.08128	0.3
152.14340	36.0
153.14691	0.5
153.65169	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0911
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03939	2.0
53.32195	1.5
53.50554	1.4
55.01875	33.9
55.05512	10.3
57.03430	5.5
59.05003	33.2
65.03938	3.7
67.05158	1.8
67.05505	20.0
68.96328	2.7
68.99770	1.8
69.03430	18.6
69.07059	8.8
69.17717	8.2
69.18121	3.2
70.95869	7.0
71.04995	3.2
71.95270	8.9
79.05045	3.1
79.05492	53.6
81.03413	4.6
81.07050	14.2
83.01325	1.6
83.04976	14.8
83.08607	4.5
85.09882	1.4
87.74140	1.4
88.47228	1.4
88.96906	2.6
91.05480	36.5
93.03394	3.0
93.07052	20.6
95.04958	16.7
95.08601	10.4
97.06517	5.0
97.10191	1.8
98.22652	2.9
105.07022	27.6
107.04962	9.5
107.08593	100.0
108.05717	2.6
108.08916	3.1
109.06519	16.7
109.10149	6.1
111.04447	26.6
111.08076	22.5
111.96874	1.5
115.05455	5.0
117.07040	12.2
119.06100	9.0
119.06816	1.5
123.08068	51.4
125.06065	2.4
125.08705	2.1
125.09627	40.8
126.05475	3.0
130.96303	4.1
131.63850	1.5
133.07599	8.1
135.08055	87.3
135.11664	2.9
136.03946	2.4
136.08429	2.8
137.05989	4.4
148.97377	4.9
153.05444	2.8
153.09105	43.1
153.10161	2.9
153.12729	6.6
154.04961	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	2-Isopropenyl-5-methylhexa-trans-3,5-diene-1-ol
Peak:m/z	Relative Intensity
51.72338	2.5
54.43944	2.5
55.01856	3.6
55.05514	30.6
57.07074	6.6
59.04994	11.3
66.38386	2.3
67.05508	16.3
68.96342	4.4
69.03428	5.0
69.07069	100.0
70.94243	3.0
70.95862	12.4
71.05000	8.8
71.95265	29.5
75.93060	2.9
79.05497	21.8
81.03403	8.2
81.07060	20.2
83.04984	24.4
83.08636	4.1
88.96122	2.5
88.96910	5.0
91.05488	18.8
93.07034	41.6
94.95374	2.4
95.04964	7.5
95.08608	25.6
97.06530	88.8
105.07055	5.3
107.08598	49.5
108.04484	3.7
109.10164	38.0
111.08088	6.8
111.98492	5.2
114.18176	2.5
117.06955	2.5
119.08570	2.7
129.99451	4.1
135.08012	2.6
135.11700	26.5
136.03979	13.4
136.07652	2.8
137.06010	12.5
146.04532	2.4
148.97426	4.1
153.05515	3.3
153.06610	7.7
153.09105	5.7
153.10240	6.2
153.12755	34.4
154.05017	3.1
154.08688	2.8
172.13234	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	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
52.31677	0.6
53.03949	1.4
55.05508	4.6
57.03424	1.8
57.07077	1.2
59.04997	1.7
63.96204	0.6
64.44338	0.6
65.03925	0.7
67.05508	10.8
68.61566	0.6
69.03420	0.9
69.07065	8.5
69.62010	0.6
69.62345	2.3
70.95855	0.8
71.04991	2.0
71.95282	1.4
73.06569	0.7
77.03906	1.0
78.01999	0.6
79.05493	10.8
81.07061	13.8
83.04972	5.0
83.08622	2.6
91.05476	8.4
93.07047	71.2
95.04971	6.6
95.08608	61.6
95.09489	0.9
96.08964	0.7
97.06532	9.4
105.04480	1.7
105.07005	3.2
107.08594	100.0
108.08933	1.7
109.06519	3.1
109.10156	12.7
111.08091	1.7
116.92438	0.5
119.06035	0.7
129.94260	0.5
135.11694	45.3
136.11951	0.6
137.05937	0.9
153.00027	0.6
153.05466	0.6
153.06548	0.6
153.10255	0.8
153.12747	17.4
153.13832	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-para-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.20652	1.1
55.01871	1.5
55.05521	6.7
55.93530	1.4
57.03427	2.9
65.03915	1.7
67.05208	1.6
67.05508	18.8
69.06712	2.8
69.07069	36.8
70.94254	1.4
70.95864	18.9
70.99989	1.9
71.94912	2.2
71.95267	21.7
73.16541	1.4
79.05499	18.3
81.07062	24.9
83.04979	3.5
83.06087	1.3
83.08614	2.8
85.06525	1.8
88.01892	1.3
88.96889	4.3
91.05475	2.8
93.07040	34.1
94.03714	1.6
94.04591	1.2
95.04961	2.0
95.08605	16.3
97.06540	13.8
105.42242	1.3
107.08589	36.7
109.10155	27.1
111.08087	4.5
111.98447	3.9
121.79717	1.5
125.06037	1.3
126.06276	1.9
129.99515	1.4
130.96301	1.8
135.11693	95.3
136.03952	5.2
136.07501	1.6
137.05991	1.8
148.97362	3.6
153.04349	1.3
153.05479	3.2
153.07408	5.2
153.09119	2.6
153.10208	3.2
153.12740	100.0
153.98010	1.5
154.04971	2.0
154.08644	1.8
155.64655	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.83341	0.7
52.58414	0.7
55.05518	4.8
57.03432	1.5
57.07078	1.2
65.03936	0.8
67.05507	9.8
68.96321	0.7
69.03442	0.8
69.07076	8.9
70.94254	1.1
70.95869	3.8
71.04994	1.9
71.95264	5.0
79.05492	8.6
81.07053	9.5
81.49412	0.8
83.04979	3.6
83.08606	1.9
91.05486	7.9
93.07046	64.6
94.07426	1.1
95.04945	3.6
95.08605	55.9
97.06529	5.1
98.23418	2.3
104.86246	0.6
105.04540	1.0
105.07037	1.9
107.08593	100.0
108.08920	1.9
109.06539	1.2
109.07594	0.8
109.10158	11.5
111.04464	1.2
111.08087	1.5
111.98521	0.9
121.06422	0.9
126.05480	0.9
130.96361	0.9
135.11690	39.9
136.03944	1.1
136.12038	1.0
137.05975	2.2
148.97353	1.4
153.05501	1.7
153.06558	1.0
153.09068	1.9
153.10202	1.7
153.12756	14.8
154.08621	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.91512	1.6
53.03935	4.1
53.68305	1.4
55.01863	1.8
55.05300	1.4
55.05515	14.0
57.03413	2.8
57.07063	4.3
59.04990	5.0
65.03925	2.7
67.05507	21.9
68.05834	1.8
68.96308	2.5
69.03439	2.3
69.06775	1.5
69.07073	19.3
70.94250	3.0
70.95861	7.0
71.04994	20.7
71.05360	2.5
71.95247	4.3
73.06557	11.6
77.03915	3.3
79.05493	47.6
81.07056	76.6
83.05007	3.5
83.08620	3.3
85.06498	1.9
88.96869	2.1
91.05479	28.2
93.07043	95.3
95.04973	10.4
95.08598	11.2
97.06547	9.2
105.04485	3.4
105.07032	10.2
107.04951	6.6
107.08594	100.0
108.08869	1.9
109.06503	4.4
109.10161	69.2
109.98902	1.7
110.03645	1.6
111.04440	2.5
111.08060	5.0
111.98455	2.0
118.93471	1.5
119.04936	2.5
119.06049	2.9
119.08578	4.8
121.02861	6.5
126.05507	2.3
129.99487	1.7
130.96275	2.3
135.04402	3.9
135.08072	2.2
135.11690	52.2
136.03943	5.2
136.07568	2.8
137.05983	16.0
148.97383	7.3
153.01804	1.8
153.05466	11.9
153.06538	3.0
153.07619	1.9
153.09111	3.0
153.10211	2.2
153.12738	25.7
154.04916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03941	0.7
53.95369	0.5
55.01865	1.2
55.05507	3.5
57.03427	1.8
57.07067	1.5
65.03920	1.1
67.05500	10.1
68.05820	0.6
68.96327	1.8
69.07064	8.1
70.94244	1.5
70.95863	7.4
71.04969	1.2
71.95271	7.4
79.05499	8.1
80.12231	0.6
81.07055	10.1
83.04984	3.7
83.08617	1.8
86.97408	0.6
88.95285	1.4
88.96909	2.1
91.05477	9.8
93.03422	0.7
93.07042	65.4
93.91712	0.5
94.07330	0.7
95.04974	4.4
95.08604	53.6
96.08958	0.9
97.03970	0.7
97.06522	4.8
105.07024	2.7
107.08589	100.0
108.08925	1.8
109.06528	2.6
109.10155	9.4
109.98930	1.3
111.04451	1.2
111.08070	1.6
111.96889	1.2
111.98457	1.7
119.06131	1.6
129.99484	0.8
130.96301	2.2
135.04390	1.0
135.11685	37.6
135.50453	0.7
136.03929	1.9
137.06007	0.8
148.97336	4.3
153.06572	1.4
153.07750	0.7
153.09067	1.1
153.10233	1.8
153.12741	11.6
153.13828	1.0
154.04909	0.7
154.08589	0.8
154.09727	0.7
159.31479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	Isolyratol
Peak:m/z	Relative Intensity
52.53333	2.8
55.05499	11.4
57.03412	3.5
67.05505	20.3
69.07066	21.0
69.94806	6.4
70.94256	6.2
70.95871	36.2
71.04993	100.0
71.95264	58.0
79.05495	64.8
81.07047	19.0
83.04985	4.1
85.06526	5.4
88.96903	11.8
91.05477	11.6
93.06460	3.4
93.07048	69.5
95.04978	10.7
95.08618	23.0
97.06518	27.3
105.07018	5.0
111.08067	13.7
111.96843	4.7
111.98438	16.7
119.70554	2.9
121.10120	27.4
125.09639	3.1
126.09019	2.7
129.97948	3.3
129.99503	4.1
130.96301	6.0
136.03944	12.9
137.05939	5.4
148.97357	9.9
153.06601	8.6
153.09050	3.7
153.10199	9.5
153.12759	16.7
154.08620	3.2
154.09795	3.1
155.28865	2.9
155.66992	3.2
172.19267	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	154.0864
Annotation	Dopamine
Peak:m/z	Relative Intensity
65.03945	0.6
66.59874	0.1
70.91290	0.3
81.07070	0.8
91.05485	29.8
92.05833	0.5
109.06520	2.3
119.04947	20.9
120.05295	0.5
137.05983	100.0
138.06293	1.9
154.08636	0.5
165.94290	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55503	0.2
55.01855	0.3
55.05514	1.6
56.96559	0.6
67.05508	5.6
68.96325	1.2
69.03416	0.4
69.07062	1.3
69.45995	0.7
69.46383	0.6
69.96165	0.5
70.94255	1.0
70.95836	0.3
71.94090	0.4
71.95266	5.1
72.93790	3.7
79.05486	0.9
81.07059	26.7
82.03790	0.3
82.07404	0.6
83.04972	1.0
83.08623	1.3
84.04518	0.4
86.97366	0.3
90.94857	1.3
91.05498	0.6
93.07060	0.4
95.04947	0.5
95.08611	28.1
96.08926	0.5
98.06031	0.4
98.98483	1.1
99.04490	0.6
108.08153	0.3
108.95882	0.4
109.10174	1.4
109.98932	1.2
111.04433	0.8
112.03984	0.3
112.07591	0.6
113.06016	0.8
113.07076	0.3
113.09603	0.2
113.96402	2.3
126.05511	0.4
126.09146	0.3
127.07569	0.6
128.00023	0.4
130.96289	1.6
130.98827	0.3
131.96165	1.2
131.97446	2.0
136.07591	1.0
137.05960	1.2
137.07047	0.5
137.13248	4.4
140.03412	0.4
148.97362	3.0
149.97197	1.8
150.00763	0.3
153.97882	0.4
154.05006	0.8
154.08633	0.9
154.15907	100.0
155.07053	2.6
155.08199	0.4
155.16310	2.7
171.99011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77068	1.4
55.60009	1.3
69.94872	4.6
73.02907	6.1
76.16254	1.7
82.01450	2.9
82.05341	2.8
83.06095	10.0
85.12064	1.3
91.34310	1.3
93.01896	2.4
93.04525	4.9
95.06081	8.8
96.93114	1.7
100.02503	9.0
101.00898	9.6
102.02411	1.4
108.24237	1.4
110.02160	4.3
110.07167	100.0
113.00844	2.1
113.96382	1.8
118.03514	2.1
119.01910	16.0
124.02467	2.8
131.01953	8.1
131.02782	1.4
131.96228	2.0
137.02946	3.8
138.01637	17.6
142.03499	13.5
143.03600	1.5
149.97232	3.3
150.96797	1.6
152.94110	1.6
155.04279	42.0
155.11795	4.9
156.04233	6.2
156.07710	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.1431
Annotation	p-Menth-1-en-9-ol
Peak:m/z	Relative Intensity
51.40721	1.9
53.03941	2.1
55.05510	30.1
55.93517	2.8
56.60877	2.2
56.96574	6.0
57.03453	1.8
57.07074	23.8
59.05001	8.0
65.03970	2.1
67.05508	13.6
69.03426	5.0
69.07072	17.9
69.96187	2.1
70.24181	2.2
70.24513	3.5
70.95864	54.1
71.04996	5.6
71.08639	1.9
72.93788	54.0
73.02901	2.9
73.06569	2.3
81.07059	34.6
83.04977	14.5
83.08621	11.3
84.35008	1.7
85.06545	10.9
86.09714	2.3
88.96878	12.3
90.94826	14.3
95.04964	21.2
95.08610	43.0
97.10182	8.3
98.98486	11.9
99.04468	6.0
99.08109	3.3
105.04552	2.2
106.46690	1.7
108.95853	3.1
109.06538	4.6
109.10193	7.0
110.07158	5.4
111.04463	6.8
111.98483	26.7
113.05997	9.4
113.96413	22.8
123.04444	8.2
127.07579	5.7
129.05524	2.1
129.99516	12.9
131.96185	8.1
131.97421	14.1
131.99695	4.1
132.95828	59.4
137.07062	2.6
137.13263	29.8
149.97235	10.1
150.96893	100.0
155.05998	3.1
155.07076	28.4
155.08325	4.2
155.14291	11.1
155.97401	10.3
156.06607	2.2
156.08057	2.9
168.98004	4.2
173.98550	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	156.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06583	1.3
59.28995	1.1
65.60159	1.1
69.94678	1.0
70.06609	1.8
70.95860	2.9
72.08166	2.2
74.09721	18.2
77.80930	1.0
80.18753	1.1
82.99845	1.3
83.06109	6.0
83.77012	1.2
85.07648	2.5
93.04514	2.4
95.06107	2.1
96.96918	3.2
101.00876	13.7
110.07169	53.3
110.09647	1.5
112.05266	3.5
119.01928	42.7
120.02010	1.1
124.02477	2.4
130.06300	20.3
132.95844	2.6
133.03426	2.3
137.02968	10.2
138.09193	1.4
142.03500	24.1
150.96907	3.6
156.04224	100.0
156.07690	4.7
156.10196	7.4
156.13815	7.0
156.84508	1.5
160.04576	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	156.0423
Annotation	N-Methylethanolamine phosphate
Peak:m/z	Relative Intensity
54.96473	1.0
62.64516	1.9
69.58619	4.6
74.09719	15.9
77.87050	1.1
83.06114	1.6
84.01576	1.2
85.62107	1.0
95.06113	1.3
96.96919	2.9
110.07165	16.1
112.05302	1.9
117.46963	1.1
130.06310	20.0
132.02003	2.4
133.03458	2.6
138.03047	1.3
144.03258	1.3
149.01230	2.0
156.04219	100.0
156.07672	3.2
156.84508	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	156.077
Annotation	L-Histidine
Peak:m/z	Relative Intensity
54.36710	0.2
55.01871	0.8
56.05033	0.5
57.83022	0.2
58.06611	0.3
64.25104	0.2
68.05032	0.8
70.06585	0.3
70.30740	0.2
70.31065	0.4
70.34840	0.2
70.95866	0.6
72.93790	0.5
81.04527	0.7
82.05331	2.3
82.99878	0.3
83.05613	0.4
83.06107	9.3
84.06421	0.2
87.04480	0.3
93.04529	6.8
95.06095	7.1
101.00883	2.9
110.07168	100.0
111.05557	0.7
111.06823	0.2
111.07524	1.2
111.98482	0.4
119.01924	9.3
120.01998	0.4
124.02461	0.5
130.06274	0.5
132.95834	1.0
133.03459	0.5
137.02954	2.2
138.09123	0.6
139.05057	0.2
139.06445	0.2
142.03502	5.5
150.96878	0.9
156.04222	1.6
156.07686	11.5
156.10187	1.8
157.07802	0.2
160.04582	1.1
174.06030	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	156.077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80112	0.2
53.58732	0.2
54.09486	0.2
55.93534	0.4
56.05032	0.5
56.96558	0.5
58.06601	1.4
59.84171	0.2
60.22757	0.2
68.05024	0.9
68.42810	0.2
70.01438	0.2
70.56055	0.4
70.95866	9.0
72.08133	0.5
72.93789	5.1
81.04555	0.6
82.04951	0.2
82.05325	2.1
83.05608	0.4
83.06107	8.7
83.15842	0.2
85.07666	0.6
87.85600	0.2
88.96915	1.0
90.94820	0.7
93.03976	0.5
93.04530	6.4
94.90279	0.2
95.06096	7.9
101.00883	2.2
110.07166	100.0
110.97565	0.4
111.05564	0.4
111.07510	1.1
111.98469	4.4
113.96362	0.4
114.94762	0.3
119.01927	6.2
128.98634	0.3
129.99527	1.2
132.05048	1.0
132.84149	0.2
132.95836	12.4
133.03485	1.2
137.02934	1.0
138.06595	0.3
142.03503	3.4
147.03761	0.2
150.96886	13.7
151.04507	0.4
155.97411	1.1
156.05069	0.5
156.07684	12.2
156.10242	0.4
156.13832	0.5
156.14980	0.3
156.97441	0.3
160.04546	0.7
173.98500	0.9
174.06119	0.7
174.99176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	100.0
62.98257	1.7
70.18732	1.7
70.19072	1.4
70.95867	13.1
72.93793	6.3
74.93170	10.7
85.94197	0.8
88.96896	2.5
90.94812	2.5
94.06576	0.8
103.90100	1.0
110.07172	3.7
111.11371	0.9
111.98478	6.8
113.96463	1.1
129.07079	0.9
129.99495	3.4
132.95827	15.6
150.96887	22.7
155.97392	3.3
156.08084	3.4
156.10197	1.5
156.13806	1.4
157.07541	2.0
173.98538	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	157.1226
Annotation	60046-50-6
Peak:m/z	Relative Intensity
53.03931	1.5
53.44666	0.8
55.01875	5.3
55.05514	61.3
56.96565	4.4
57.03188	1.5
57.03428	7.4
57.07077	9.3
59.05000	3.5
67.05510	17.8
69.03436	6.7
69.07072	100.0
69.58102	2.4
69.58495	1.6
71.04980	4.3
71.08636	17.2
72.51955	1.0
73.06542	5.1
74.93175	11.0
75.94660	1.5
79.05496	25.9
81.07057	17.6
83.04984	69.1
83.08621	3.7
85.06556	1.4
87.04477	3.1
91.05501	2.7
93.07049	37.4
95.04967	2.3
95.08611	28.2
97.06538	21.7
97.10173	27.9
98.97585	42.7
99.08118	6.3
101.06034	2.8
102.09203	2.4
103.31725	1.1
111.11734	3.1
112.07608	4.4
115.11264	1.3
116.97234	4.3
116.98626	25.8
121.10147	15.5
129.07062	1.1
134.99661	11.1
139.11188	33.3
140.00197	2.1
140.11491	1.9
150.96973	1.2
152.96936	1.9
154.33174	1.0
157.07576	2.6
157.10141	2.9
157.12244	20.6
158.01285	2.2
158.08450	1.2
158.09660	6.5
158.15402	4.5
163.79478	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.3
56.96568	10.6
63.83955	0.5
69.07090	0.7
70.06593	20.5
70.36400	0.4
70.67326	0.5
71.01357	0.6
71.04996	27.7
71.06110	13.8
71.95256	0.5
81.07060	1.5
84.08188	0.6
88.07642	4.6
88.08099	0.5
88.08199	0.8
88.08752	9.6
89.08464	0.5
89.32496	0.5
95.08610	5.0
96.08146	1.4
97.10160	4.1
98.97585	100.0
99.97921	0.8
102.09175	0.5
112.07619	3.1
112.08769	0.7
116.07129	1.3
116.97255	2.5
116.98622	49.5
117.98999	0.6
121.01657	0.9
122.09672	0.5
123.08060	0.9
127.00288	0.9
127.01188	0.6
134.02948	0.7
134.99657	14.1
136.00105	0.6
140.00206	1.0
140.10704	1.5
152.96930	1.1
153.00720	0.6
158.01326	0.8
158.11844	2.1
158.12891	59.3
158.15456	1.7
159.13257	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55428	0.9
52.74768	0.9
53.07534	0.8
55.05502	1.5
56.05019	1.4
57.03424	1.9
58.02939	1.2
60.04534	1.0
60.08162	1.6
68.05030	0.9
69.03411	1.8
70.06588	2.8
72.04509	2.1
72.08144	2.6
74.06085	1.0
82.99852	2.7
83.05012	1.2
84.04524	1.6
84.08145	4.6
86.06082	1.8
87.04462	2.5
96.04487	1.5
96.08096	1.5
98.97539	1.0
100.02499	2.6
100.07626	1.8
101.00877	28.3
101.06003	2.4
101.08018	0.9
114.05548	2.6
114.09171	18.6
116.04783	1.1
116.98577	1.1
118.03514	8.2
118.06499	0.8
118.96741	2.4
119.01920	100.0
120.02012	2.0
124.02458	2.9
126.09125	1.4
129.01842	2.0
132.06534	1.8
136.04555	4.7
137.00269	0.9
137.02957	35.2
137.99823	1.3
138.03000	0.9
142.03500	56.5
142.08598	2.0
143.03627	1.5
143.11798	3.0
154.96547	1.4
160.00711	2.0
160.04568	58.5
160.06012	3.1
160.09683	8.1
160.10757	1.1
160.13348	4.3
161.02963	2.9
161.04688	1.9
165.05147	1.7
178.05627	16.6
179.04028	3.5
179.05571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75735	0.4
55.94512	0.5
69.44496	0.9
69.44889	1.5
82.01482	0.6
82.99838	5.3
100.02484	4.8
101.00879	46.9
102.00949	1.3
107.67934	0.4
112.40496	0.5
118.03524	7.9
119.01920	100.0
120.02000	1.4
124.02447	8.7
136.04514	2.6
137.02956	19.4
138.03088	0.5
142.03499	64.5
143.03596	1.9
160.04555	58.0
161.02986	3.7
161.04720	1.7
178.05614	11.7
179.04030	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	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35255	0.2
53.86324	0.2
56.96559	0.3
59.04987	0.2
60.00640	0.3
61.91953	0.2
70.06606	0.3
72.04505	0.8
72.08151	0.7
82.99841	2.5
83.99876	0.3
84.08141	1.5
86.09682	0.3
92.48148	0.2
98.97588	0.7
100.97205	0.3
101.00881	33.0
102.00939	2.1
102.96890	0.3
103.00656	0.3
114.09177	3.1
119.01920	100.0
120.01996	4.9
120.97922	0.4
121.01632	0.5
121.02391	0.4
124.93904	0.3
125.02643	0.3
126.09201	0.6
137.02959	23.5
137.99847	0.3
138.03070	0.8
142.03523	1.0
143.01921	0.3
143.03647	3.8
143.11794	0.9
144.03217	0.4
160.13295	0.3
160.16997	0.6
160.36218	0.2
161.02968	6.6
161.04674	3.0
161.13000	0.3
162.04335	0.4
165.33002	0.2
179.04025	6.8
179.05725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26229	0.2
56.96549	0.3
70.06582	0.6
70.71303	0.3
71.27063	0.2
72.04514	0.3
72.08173	1.3
82.99828	1.9
84.08147	1.7
97.02873	0.2
98.97575	0.4
101.00880	25.1
101.06018	0.3
101.97193	0.3
102.00955	2.3
102.96887	0.3
103.00623	0.3
105.07023	0.2
114.09157	1.7
119.01923	100.0
119.98808	0.5
120.02004	5.7
120.97911	0.2
121.01680	0.5
121.02425	0.3
124.02466	0.3
125.02582	0.4
126.09171	0.4
137.02959	28.5
137.99788	0.6
138.03020	1.6
142.03499	1.3
143.01968	0.2
143.03636	5.1
143.11818	0.6
144.03226	0.9
144.06607	0.2
144.10222	0.2
156.00940	0.3
161.02957	6.1
161.04659	4.1
161.07069	0.4
161.09573	0.2
161.12833	0.3
162.04318	0.6
179.04028	7.8
179.05701	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99856	0.2
63.08391	0.2
65.68618	0.2
68.75352	0.2
69.16026	0.5
69.16434	0.5
72.33668	0.2
82.99838	3.4
83.99924	0.3
98.97586	0.5
100.25008	0.2
101.00877	36.2
102.00951	2.6
102.96867	0.3
103.00642	0.4
111.00456	0.2
118.03489	0.3
119.01916	100.0
120.02000	5.0
120.02968	0.2
120.03127	0.1
120.97901	0.2
121.01648	0.6
121.02395	0.3
125.02592	0.7
137.02954	21.5
138.03073	1.3
142.03485	1.5
143.01941	0.3
143.03632	5.5
144.03270	0.7
161.02963	5.9
161.04655	4.6
162.04333	0.4
179.04021	7.1
179.05661	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
52.28641	0.6
53.03944	1.5
55.01875	5.0
56.96571	0.9
60.88386	0.9
63.12466	0.8
65.60971	0.7
66.04691	0.8
67.60782	0.6
70.95672	0.7
70.96024	0.8
72.08153	9.3
73.08487	1.2
77.03931	1.2
79.05499	18.8
80.47460	0.8
84.08067	0.8
85.02917	0.7
86.18572	0.6
89.03928	0.7
90.04703	4.0
91.05470	3.0
94.25445	0.7
95.04973	3.8
97.02882	1.0
98.97558	1.5
101.00899	1.3
101.38036	0.8
101.95020	3.3
102.04720	0.8
102.96857	2.0
103.05464	21.9
105.04508	2.2
105.07027	100.0
106.07359	1.0
114.09158	1.1
115.05457	26.9
116.07056	0.9
118.04158	18.6
118.06483	1.9
118.98185	1.0
119.01917	8.7
119.08550	1.4
119.96059	1.0
119.96838	1.1
120.02036	1.0
120.96520	1.3
120.97917	2.7
125.51637	0.7
126.12851	0.8
131.04922	3.7
132.05760	1.3
133.06487	56.0
134.06824	1.0
134.99680	0.8
137.02975	3.3
137.97084	1.1
138.03383	0.9
138.98943	1.6
139.01868	1.0
143.04953	1.2
143.06015	7.5
144.06549	1.4
144.08089	4.9
161.04721	1.5
161.05991	14.4
161.07130	3.5
161.09589	1.8
161.10750	5.1
180.04440	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0923
Annotation	2-[[(2R)-2-azanylpropanoyl]amino]propanoic acid
Peak:m/z	Relative Intensity
50.54569	2.6
65.40302	2.5
69.27873	15.4
72.04521	5.1
72.08153	3.8
84.08131	6.1
84.36469	2.6
84.94904	2.8
86.09697	5.0
88.04057	3.3
90.05557	100.0
90.06120	5.0
98.53233	2.8
101.00869	15.5
114.09177	14.5
115.08713	15.3
115.09406	3.9
119.01929	31.0
129.01820	3.9
134.08267	2.7
137.02957	8.9
137.99838	2.7
143.11824	3.4
161.02965	8.6
161.09221	19.8
161.12827	3.1
162.11270	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	161.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05519	7.0
60.92361	1.1
62.93894	1.0
67.05500	2.6
69.03430	1.8
69.07056	2.0
69.64141	2.5
69.64524	2.5
70.06590	1.6
72.04515	1.2
72.08156	2.0
79.05499	22.6
81.03410	2.0
81.07036	1.3
87.04008	1.1
89.48253	1.3
91.05482	74.8
93.07056	9.8
95.04977	2.5
97.02887	1.7
103.05483	1.7
105.03384	2.0
105.07034	100.0
107.04971	2.6
107.08578	1.3
115.05452	4.1
117.07022	6.6
119.04893	2.9
119.08566	11.0
121.06508	2.1
128.06216	21.3
131.08571	21.1
133.06490	5.5
133.10132	52.7
143.08565	16.4
144.06584	2.7
146.07295	3.7
155.06068	2.1
161.07085	4.6
161.09621	87.7
161.13214	5.4
162.07645	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.2
69.03416	1.6
73.02925	0.9
74.06080	0.9
79.05479	2.2
82.46164	0.7
87.25474	0.6
91.05475	6.1
93.07047	2.8
95.48161	0.8
102.96830	0.9
103.05460	1.4
105.07033	31.6
107.04988	1.4
115.05457	1.4
117.07020	1.3
118.04108	0.7
118.06598	1.1
119.01907	1.3
119.08579	4.0
119.96031	0.9
120.97915	1.6
121.06505	8.1
128.06229	7.5
131.04926	1.7
131.08528	2.5
133.06485	2.9
133.10127	17.6
138.03404	0.7
138.98944	0.8
143.08553	10.9
144.06667	1.0
145.06464	2.5
146.07278	15.1
159.08083	1.1
161.06006	1.5
161.07159	2.5
161.09621	100.0
161.13266	2.6
162.05515	1.2
162.07629	1.0
162.09982	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
55.74177	0.7
56.05037	1.2
60.04522	3.6
60.08169	0.8
67.05516	3.9
70.06588	2.5
70.36096	1.4
72.04520	19.3
72.08153	6.8
79.57923	0.8
84.04492	4.1
84.08145	38.1
86.09712	1.7
88.03996	3.3
90.05553	0.8
98.22751	1.1
101.00887	6.6
101.96671	0.6
102.09170	1.7
103.03957	0.7
107.24624	0.8
114.09171	100.0
115.09525	1.8
119.01923	24.0
119.02774	1.4
120.02042	1.9
121.01647	0.8
125.10794	0.6
126.09154	15.9
130.08640	1.2
133.71413	0.7
137.02960	6.1
137.99867	0.8
141.39899	0.8
141.60001	0.7
143.01909	1.2
143.03795	0.9
143.11806	32.1
144.06532	1.5
144.10207	5.0
161.02959	2.6
161.12766	5.0
162.11250	2.6
179.04015	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	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.80965	0.3
52.56208	0.3
53.03939	0.5
53.16580	0.3
55.05515	5.5
64.43385	0.2
65.12495	0.2
67.05498	0.4
67.98493	0.2
69.07071	1.7
69.44683	0.2
79.05489	1.0
81.07061	0.9
82.59909	0.3
91.05479	6.8
93.07036	1.1
103.05467	0.9
104.06226	0.6
105.07029	14.0
107.08612	1.3
114.99343	0.3
115.05460	0.8
117.07007	2.5
117.23444	0.3
119.08581	100.0
120.08903	2.1
121.10161	2.1
131.08592	1.8
133.06500	1.0
133.10129	14.5
134.10454	0.3
146.10907	0.8
159.11711	0.8
161.05888	0.5
161.07071	0.4
161.09579	0.9
161.13258	18.5
162.07610	0.3
162.13606	0.6
165.94164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05513	11.1
65.03957	0.9
67.05503	6.8
68.49322	0.6
69.07069	11.6
70.96712	0.9
70.98245	0.7
77.03905	0.8
79.05492	9.1
81.07059	17.8
83.08578	0.7
83.67276	0.7
84.69161	0.6
91.05479	30.2
93.07043	14.4
95.04958	1.6
95.08612	2.4
102.96871	1.5
103.05484	4.3
104.06271	0.9
105.07030	95.9
106.07315	1.3
107.08022	0.7
107.08606	7.6
112.96531	0.6
115.05441	2.4
116.04990	0.9
117.07017	7.3
118.04163	0.7
118.06571	4.1
118.07760	1.0
119.01894	1.4
119.08582	100.0
120.08855	1.3
121.10182	3.4
121.10904	0.6
131.08559	7.6
132.09357	1.9
133.06491	1.9
133.10130	49.8
134.10519	1.0
144.06459	0.8
145.10115	1.3
146.10918	2.8
159.11713	3.8
161.05972	1.9
161.07133	1.8
161.09718	3.5
161.13257	82.7
162.05476	2.7
162.13568	2.4
180.04300	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
53.03951	1.0
55.79830	0.7
58.76260	0.5
58.93207	0.6
63.02382	2.3
65.09705	0.6
66.99125	0.7
67.65465	0.6
69.15093	4.0
77.03925	2.2
79.05492	10.8
89.03918	72.8
90.04244	1.0
90.77052	0.6
91.05493	0.7
95.04967	2.8
98.23505	1.4
105.04523	1.3
107.04962	12.4
116.04472	0.6
117.03381	60.6
118.03705	1.2
127.78325	0.7
130.06534	0.6
135.04416	100.0
136.04718	1.7
145.02855	48.1
145.03870	2.1
146.03252	1.4
163.03906	91.5
164.04253	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0603
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
50.75527	0.9
51.22303	1.0
53.03938	4.2
55.01626	1.3
55.01873	18.4
55.05500	2.4
56.05030	6.1
57.03436	21.4
57.07077	5.1
59.04988	1.7
59.40512	0.9
61.02927	11.0
69.03429	71.5
70.06589	1.4
71.01349	1.8
71.04981	2.8
71.44398	1.0
73.02914	11.9
74.02431	1.5
74.06069	3.4
77.03896	1.3
79.05483	3.0
81.03410	7.3
83.01359	1.7
84.08115	1.2
85.02905	100.0
87.04461	2.7
89.06014	3.2
91.03923	1.2
92.02643	1.7
95.04979	8.5
97.02893	20.6
99.04458	11.7
101.02374	13.4
102.05542	8.7
103.00590	1.6
103.03948	1.2
105.03407	2.5
105.04485	3.2
106.06560	4.2
107.07096	1.2
107.07887	1.0
109.02866	3.2
115.03951	2.8
117.05643	3.6
120.08117	1.6
121.01661	8.7
127.03918	22.2
130.06512	9.9
132.08083	12.8
133.02878	11.8
135.04416	8.0
139.02686	2.7
145.04950	1.3
145.06552	1.2
162.14861	1.6
163.03894	49.1
163.07506	2.0
163.08774	1.7
163.12347	12.7
164.06984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	(+)-Isoclavukerin A
Peak:m/z	Relative Intensity
55.05515	5.6
57.07071	2.5
65.03931	0.7
67.05503	2.5
68.80209	0.6
69.03432	1.4
69.07069	21.1
69.23919	3.1
72.08174	3.1
77.03908	0.7
78.95266	1.0
79.05492	11.3
81.07055	21.2
83.08618	5.3
84.08154	2.9
85.02908	1.4
89.03929	2.4
89.06020	1.3
91.05483	8.8
93.07047	36.6
95.04976	5.5
95.08607	18.6
99.64993	0.5
102.96886	0.6
103.05460	1.6
105.03391	1.4
105.04520	1.1
105.07037	5.2
106.06560	3.5
107.04976	1.0
107.08596	100.0
108.08886	0.9
109.06507	1.5
109.10126	0.6
117.03377	1.7
117.05752	2.7
117.07041	1.6
119.06069	0.9
119.08625	3.5
120.08092	1.6
121.06526	1.2
121.10150	26.8
121.96693	0.9
130.06532	8.5
130.07651	1.3
131.04916	1.8
132.08096	10.3
133.02902	0.9
135.04463	5.5
135.08102	1.0
135.11682	14.3
145.02863	2.5
145.10144	3.5
146.06085	0.7
163.03906	9.6
163.07552	1.9
163.08765	0.8
163.11153	10.0
163.12334	8.3
163.14821	52.9
164.07062	2.2
181.02882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74483	0.4
55.01881	0.3
56.05036	68.8
57.03429	0.5
62.18905	0.3
63.02716	1.4
63.40939	0.3
69.03424	0.6
69.98998	0.8
70.03786	0.9
72.08146	0.5
74.02443	22.4
74.06081	27.7
74.20637	0.3
78.95266	0.7
84.04504	10.0
85.02911	2.8
86.03243	0.9
87.04496	0.5
91.05497	0.5
95.05013	0.3
100.02480	1.8
101.00901	2.7
102.05541	100.0
103.05901	0.5
118.03542	1.0
118.06544	0.4
119.01922	10.5
119.04906	0.4
120.08054	0.3
120.10255	0.6
121.76819	0.3
124.02440	0.5
128.07065	0.9
136.07581	0.7
137.02927	2.4
142.03497	6.9
142.36388	0.3
146.05959	0.4
146.08099	0.9
158.96288	0.5
160.04521	1.9
164.04283	0.7
164.07076	2.3
164.09273	0.5
164.10634	0.8
164.12791	1.5
164.14085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55875	1.5
69.56291	0.9
82.01454	0.8
82.99843	7.9
96.37599	0.4
100.02483	1.4
101.00883	61.9
102.00970	1.1
111.00401	0.8
119.01920	99.2
120.02011	2.0
124.02454	13.3
137.02960	13.3
142.03502	100.0
143.03668	2.0
160.04561	17.4
165.05145	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39997	0.4
56.02494	0.4
58.69815	0.4
66.87341	0.5
70.83906	0.8
79.01713	0.5
82.01458	1.2
82.99847	7.7
100.02438	1.1
101.00880	56.7
102.00996	1.1
119.01919	100.0
120.02032	1.6
121.97553	0.4
124.01546	0.7
124.02449	13.8
124.03325	0.9
125.89597	0.5
137.02953	15.2
142.03499	97.6
143.03638	1.8
160.04552	16.3
165.05156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
50.85920	0.8
53.85952	0.7
54.24454	0.7
55.05507	2.2
57.03429	2.3
57.07067	2.6
59.05005	1.7
65.03933	0.8
67.05508	10.2
69.03425	3.1
69.07069	5.3
71.34966	0.9
73.00820	0.7
79.05482	6.6
81.03412	1.5
81.07059	14.1
82.99839	3.3
83.04996	0.9
83.08625	1.1
91.05474	6.7
93.07037	4.8
95.04967	22.4
95.08605	12.7
100.02467	1.0
101.00877	35.3
102.00973	1.0
103.05423	0.7
105.07012	6.3
107.04959	2.0
107.08591	22.7
109.06514	12.5
109.09303	0.7
109.10149	2.0
111.08063	0.7
117.07000	1.7
119.01918	100.0
119.08580	17.0
120.02009	3.6
120.08086	2.1
120.08883	0.9
121.06483	1.5
121.10130	6.7
123.04463	0.9
123.08067	17.4
123.11698	15.4
124.02446	7.7
130.88863	0.7
132.05725	1.4
136.08781	0.9
137.02953	18.9
137.05966	1.1
137.09612	3.3
137.13289	3.6
142.03496	89.0
143.03635	3.8
147.04402	1.2
147.08054	9.6
147.11690	7.7
160.04552	20.7
161.04672	1.7
165.05191	2.6
165.07634	1.0
165.09079	3.8
165.12750	53.6
166.08607	1.0
166.13014	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
50.30636	0.2
50.63034	0.1
51.55204	0.1
77.03948	0.2
79.05490	1.2
91.05484	0.6
93.07057	1.7
103.05469	8.4
105.19994	0.1
107.04951	2.2
119.01946	0.2
120.08105	100.0
121.08459	2.0
121.75737	0.1
125.65672	0.2
131.04935	2.4
143.03596	0.4
149.05978	0.8
166.08665	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0864
Annotation	Tricaine
Peak:m/z	Relative Intensity
56.96574	0.6
65.92620	0.4
69.03437	0.4
72.07832	0.3
73.20783	0.3
80.94971	1.0
83.99926	0.4
91.05481	3.9
93.07052	1.5
95.04964	1.9
97.54449	0.4
98.97600	0.4
101.00903	1.6
102.00945	4.3
103.00650	1.3
103.05479	4.2
106.96600	0.4
109.06509	0.5
110.01286	0.4
115.02492	0.4
119.01933	3.7
119.04932	2.4
120.01992	8.2
120.08095	5.2
121.01686	2.2
121.06506	32.9
121.97540	0.5
122.06843	0.4
123.04436	8.8
124.93906	0.6
125.02600	0.9
131.04941	7.4
133.03445	0.4
133.05234	0.7
136.06178	0.9
137.05978	49.5
138.03055	1.4
138.05461	0.9
139.02715	0.5
142.03528	1.4
143.03615	9.7
144.03239	2.7
148.07571	2.6
149.05983	36.5
150.06337	0.5
160.04605	0.5
160.95930	0.8
161.03064	0.5
161.04709	1.5
162.04237	0.5
166.04970	1.7
166.08633	100.0
167.08957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09502	1.4
51.33309	1.4
53.03932	1.5
58.99584	4.3
61.01147	24.3
66.25997	1.3
70.06587	10.0
72.04523	5.0
77.00632	2.3
80.05019	2.4
81.03409	1.8
85.01136	2.9
87.02691	27.3
88.07629	9.1
93.83188	1.6
94.93015	100.0
96.04529	1.9
102.05552	2.8
103.00641	10.1
103.52832	1.5
105.03727	92.9
120.02024	2.1
120.08099	3.4
121.01669	38.5
121.06500	3.2
126.02215	3.4
136.94034	3.8
137.05962	3.8
139.02734	7.5
143.03641	2.1
144.03224	31.0
162.04285	7.4
166.08591	10.9
166.09915	1.9
167.07297	25.2
167.11801	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	168.0657
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
50.09514	0.3
51.38472	0.4
53.04005	1.1
55.01913	0.7
55.77120	0.4
56.96570	2.3
65.03982	0.9
67.05514	4.3
67.92574	1.7
69.03468	0.7
69.70645	1.5
79.05560	1.2
80.05075	0.5
81.03438	0.4
81.07111	0.7
82.94842	3.6
85.93567	0.6
86.00932	0.4
89.51043	0.4
91.05484	10.2
94.06569	12.4
95.04964	2.9
96.04512	0.6
97.02947	1.0
98.06126	0.4
98.97601	1.0
101.00943	0.5
103.00618	3.0
103.01234	0.3
104.01009	1.0
104.02027	0.4
104.05042	0.5
106.06557	3.9
107.04936	0.6
108.04530	1.2
111.04432	0.8
112.06228	0.5
113.00011	0.9
116.98650	0.7
117.00352	0.4
119.01951	1.9
119.04945	9.1
120.02126	0.4
121.01665	13.2
121.06476	0.6
121.99424	0.8
122.01965	5.2
122.06028	10.9
123.02054	0.3
123.04457	1.3
123.07203	0.5
123.08047	0.4
123.97458	2.8
124.07618	1.0
125.04778	0.5
125.06029	0.5
126.00790	0.7
126.02264	0.4
126.05538	1.3
126.93816	1.4
127.01560	1.0
127.02526	0.6
132.04460	0.8
133.02879	0.4
134.06036	1.6
136.05223	1.4
137.02979	0.8
137.05998	1.2
139.02693	4.2
139.03632	0.6
139.06494	0.4
140.03033	1.8
140.05782	0.7
140.07079	1.3
140.09280	0.4
143.11620	0.4
144.03252	6.4
144.05066	1.1
144.94882	1.7
145.00978	0.9
145.03572	9.6
146.02924	2.1
150.05501	100.0
151.04002	1.9
151.05969	1.3
151.07541	28.3
152.07021	3.1
162.04277	1.9
162.06102	1.2
162.95885	3.9
163.04655	3.3
163.97676	0.8
164.03996	0.7
167.96402	0.8
168.05220	1.4
168.06540	12.9
168.08891	0.9
168.10220	1.1
169.04781	0.4
169.07109	0.4
185.97488	0.7
186.06085	2.0
189.10159	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03934	0.9
55.01843	0.6
56.96550	1.1
65.03943	63.8
67.05510	1.8
69.36235	3.9
71.04984	0.8
71.61254	0.8
79.05484	1.0
80.82775	0.7
81.03409	1.5
81.07068	2.9
82.96849	0.7
85.94597	2.1
89.14206	0.7
90.48710	0.8
91.05470	1.4
93.03407	31.9
93.07037	2.9
95.04960	1.7
99.04461	1.5
101.51263	0.7
103.95661	2.0
107.04962	0.8
108.02119	1.0
109.02901	2.3
110.03671	12.9
111.04446	100.0
111.08062	1.1
112.04774	1.0
123.04404	1.4
123.08035	1.2
123.11701	1.2
125.05994	35.7
126.03161	1.0
127.03976	0.9
128.95096	1.3
134.05998	1.9
141.05450	2.1
141.25122	0.7
145.96680	2.2
151.03923	17.4
151.05013	2.2
151.08653	1.1
152.03424	2.9
152.07100	2.8
163.97720	4.5
168.17531	1.0
169.04956	10.0
169.07530	1.3
169.09761	1.5
170.09602	1.5
181.98851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0497
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
50.94745	0.3
53.03949	0.4
53.25000	0.3
55.01889	0.4
68.99771	1.9
69.56289	0.9
70.06590	0.4
79.05099	0.3
80.02564	0.3
81.03424	0.9
81.07067	0.5
87.56306	0.3
93.07042	0.3
94.51627	0.3
95.04942	0.4
97.02895	0.9
98.03667	2.1
109.02894	1.2
111.00803	20.8
113.06023	0.4
126.03134	27.2
141.05461	100.0
142.05818	1.1
151.08655	0.4
159.57800	0.3
162.62975	0.3
163.97742	0.3
169.04958	55.6
170.05348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	2,6-Dimethoxybenzoquinone
Peak:m/z	Relative Intensity
53.03951	0.3
55.01867	0.5
57.03444	0.5
57.95728	0.3
65.74468	0.3
68.99783	2.4
71.21259	0.3
81.03423	0.3
85.06544	0.4
97.02894	0.6
98.03671	2.6
99.04492	0.3
109.02889	1.0
111.00807	21.1
113.06021	0.4
126.03140	27.0
127.03452	0.4
132.83086	0.3
141.05467	100.0
142.05852	1.0
169.04964	57.3
170.05293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0498
Annotation	DHMAL
Peak:m/z	Relative Intensity
53.03948	1.1
55.01873	0.4
55.05513	0.4
65.03937	0.7
67.05508	0.8
68.02647	0.8
68.99795	0.7
69.03419	0.3
69.07030	0.3
71.04985	0.8
81.03426	2.1
81.07059	1.4
85.06550	0.7
85.94603	0.6
91.05495	0.4
93.07034	0.6
95.04974	5.4
95.08631	0.6
98.03657	1.1
105.07043	0.4
107.08632	0.8
109.02881	13.9
109.06507	0.6
109.10179	0.5
111.00820	0.7
111.04436	2.3
111.08092	0.7
113.06029	0.5
123.04443	4.2
123.08140	0.3
126.03138	28.3
128.95084	0.5
133.07588	0.4
133.10161	0.4
134.06020	0.6
139.03952	0.3
139.14363	0.3
141.05466	100.0
142.05806	1.1
151.08675	0.8
152.07050	0.8
154.02615	0.6
155.03358	0.5
163.97711	0.7
169.04965	29.1
169.07585	1.5
169.09879	0.8
169.12215	0.5
170.05701	0.5
181.98541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	1-(3,3-Dimethyloxiranyl)-2,2-dimethyl-3-buten-1-one-epoxyartemisia ketone
Peak:m/z	Relative Intensity
50.19893	0.7
53.03952	0.9
53.73952	0.8
55.01873	3.0
55.05511	2.9
56.96588	1.0
57.03436	12.5
57.86533	0.9
57.96831	0.9
60.35616	0.8
67.05509	5.9
68.99841	0.7
69.03445	1.2
69.07069	100.0
71.04985	2.3
79.05489	3.2
81.03433	1.7
81.07063	7.3
83.04990	1.0
83.08638	1.0
85.06557	3.8
93.07040	3.0
95.04968	3.4
95.08614	5.4
97.06539	11.4
99.04455	7.8
99.08100	0.9
103.95622	0.9
105.07028	2.5
107.08585	2.3
109.02889	3.6
109.06503	3.1
109.10158	6.6
110.06039	1.1
111.00813	1.8
111.04442	1.5
111.08083	3.0
113.06002	9.0
115.07552	1.4
117.05478	1.0
123.04404	1.2
123.08084	4.8
123.11727	2.5
124.07619	1.2
126.03141	8.4
127.11194	11.7
128.95100	3.3
133.10115	1.1
134.05994	2.6
139.03900	1.2
141.05467	27.2
141.09102	6.0
146.96222	1.2
151.07515	1.3
151.08672	1.3
151.11215	2.4
152.07080	5.7
163.97720	2.3
169.05002	11.2
169.07553	14.5
169.09819	0.9
169.12215	3.9
170.09607	1.2
188.87459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1225
Annotation	(-)-1,2-campholide
Peak:m/z	Relative Intensity
50.22925	0.6
54.27755	0.8
55.05508	2.6
56.96577	1.3
57.03429	1.4
57.07072	8.2
59.04976	1.3
67.05500	12.4
69.03436	1.3
69.07059	5.5
70.05882	0.7
70.06205	1.9
71.04981	2.8
79.05460	0.9
81.07056	6.3
83.08630	3.7
85.06544	1.4
85.10130	0.7
85.94605	3.4
86.09704	34.7
91.05485	1.3
93.07040	5.0
95.04939	1.9
95.08619	1.4
96.61930	0.7
99.04475	1.2
103.95634	1.8
105.16343	0.7
107.08582	1.8
109.02893	1.4
109.06518	1.4
109.09061	1.1
109.10155	71.8
111.08080	100.0
112.08416	1.2
116.79072	0.7
123.08001	0.8
123.11691	1.3
123.62309	0.7
126.03135	1.5
127.11189	96.1
128.10707	8.1
128.11522	1.4
128.95094	2.7
134.06071	0.7
141.05457	8.4
145.96646	2.6
146.96144	1.4
151.08678	1.6
151.11208	2.6
163.97673	5.2
169.04974	2.0
169.07626	7.8
169.09843	1.5
169.12234	15.0
170.09724	0.8
170.11775	2.7
181.98749	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1178
Annotation	3alpha-Acetoxynortropane
Peak:m/z	Relative Intensity
50.31177	0.1
50.59760	0.1
55.01879	1.0
55.05506	0.5
55.71691	0.2
55.93513	0.2
56.96566	0.4
57.07068	1.7
60.04533	0.3
71.44939	0.2
72.04511	1.2
83.08614	0.2
86.06090	1.0
86.09707	100.0
87.10021	1.1
88.10339	0.2
89.07172	0.8
97.10291	0.1
100.44499	0.2
116.10735	1.0
124.07570	0.2
128.10718	26.5
128.95108	0.6
129.11078	0.3
134.65454	0.1
142.12221	0.4
146.96140	0.5
152.07132	0.2
170.08130	0.2
170.09612	0.4
170.11755	5.8
170.15370	0.2
171.14928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.3
55.05510	12.6
56.96543	2.6
57.03432	3.4
57.07079	22.0
58.06566	2.3
67.05484	7.3
69.07067	100.0
70.99960	2.0
71.04986	2.7
71.08646	11.3
72.04512	17.3
72.08153	13.1
77.13453	1.7
79.05492	7.6
81.07059	22.2
83.04961	6.4
83.08616	24.2
84.08146	1.9
86.06078	14.7
86.09691	2.2
89.07156	12.3
93.07048	20.4
95.08611	21.0
97.06532	34.6
98.09698	1.8
100.07619	32.2
107.08587	24.7
109.10131	13.9
110.06096	2.6
111.08087	18.9
111.11715	25.0
114.08368	2.0
114.09165	35.2
125.13297	2.3
126.12942	1.8
128.07036	1.8
128.10693	3.7
128.14342	5.6
128.95102	4.8
135.11693	58.2
135.42924	1.6
146.96188	3.5
152.07066	3.6
153.12743	53.5
164.97751	1.6
170.05931	2.2
170.08060	5.9
170.09602	5.3
170.11777	3.1
170.15396	57.5
171.14861	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	171.0168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97413	28.5
55.94168	30.2
70.27694	73.7
72.38768	28.9
75.33429	28.3
97.50179	23.8
97.59402	26.7
112.89614	100.0
147.76549	28.4
192.25479	26.4
194.66891	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0654
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01876	1.9
55.05514	3.2
55.73002	0.6
62.33289	0.6
65.03941	19.9
66.20863	0.7
67.05502	1.2
68.99797	6.9
69.03424	1.7
69.17207	3.1
72.04520	4.5
81.03416	2.8
83.04983	8.6
83.08628	1.7
84.79085	0.6
86.09722	1.1
89.07153	4.6
92.80915	0.6
93.03407	9.3
96.02110	1.0
97.02881	1.2
98.23428	1.2
104.43203	0.6
109.02863	0.8
111.04443	73.2
112.04787	1.2
121.02782	0.6
121.03148	0.9
121.04002	9.5
139.03899	100.0
140.04280	0.6
156.03720	0.9
165.99461	0.6
168.15735	0.5
171.06502	8.0
171.07738	0.9
171.14914	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1382
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.03955	1.5
54.09898	1.0
55.01880	14.7
55.05257	1.9
55.05513	25.9
57.03439	49.8
57.07081	1.4
59.05001	2.1
65.90639	1.1
67.05505	41.1
69.03423	2.2
69.07069	54.4
70.75519	1.1
70.75867	1.9
71.04996	5.4
72.04515	32.0
72.08148	1.7
73.06570	2.5
79.05497	6.0
81.07058	22.5
83.04984	8.2
83.08625	33.7
85.06540	3.3
87.04454	1.3
88.95311	2.6
89.07153	26.2
91.05489	1.9
93.07051	7.8
95.04969	2.0
95.08606	17.8
97.06532	13.3
98.97575	1.9
99.08082	1.9
101.06048	2.4
107.08609	12.3
109.06495	2.8
109.10157	100.0
111.04437	3.4
111.08076	14.2
125.09631	4.8
127.10255	1.4
127.11198	29.4
135.08090	1.6
135.11713	6.2
139.03906	1.0
142.78554	1.0
143.08524	1.2
153.09073	3.3
153.12746	8.0
156.09384	3.6
171.05519	2.3
171.10196	2.2
171.11739	3.0
171.13742	2.9
171.14963	22.8
172.07611	1.3
172.11221	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
55.01871	11.0
55.05513	21.4
57.03411	2.4
66.92988	1.6
67.05506	23.4
69.03435	3.8
69.07074	11.3
71.04997	15.8
72.04519	68.3
79.05503	14.5
81.06637	2.2
81.07046	12.9
83.04990	2.3
83.08620	20.0
84.04533	2.4
85.02939	1.9
86.09717	3.9
87.10051	2.7
88.11283	4.4
89.07157	55.2
91.05462	3.8
93.07043	46.2
95.08611	66.2
97.06532	100.0
98.97598	2.9
103.27669	2.0
107.07914	3.3
107.08597	42.1
109.10162	25.8
111.08083	5.0
115.33457	1.6
122.83205	1.8
123.11704	2.7
128.06206	6.2
132.56035	1.7
135.11696	72.9
140.81760	1.7
153.12744	20.5
153.30022	1.8
156.09363	2.2
171.05515	2.3
171.08044	6.8
171.11728	4.7
171.13788	4.0
171.14960	45.2
172.07370	2.1
178.70500	2.0
191.09541	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1381
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
53.00317	2.9
53.03940	2.0
55.05515	17.8
57.07092	4.6
57.29570	2.0
59.05001	4.3
62.80931	1.5
67.05495	9.7
69.07074	23.1
69.38552	2.0
69.38848	8.3
71.04996	47.2
72.04520	28.9
73.06549	12.3
75.04488	8.6
77.79302	2.0
79.05492	18.5
81.07058	100.0
83.04982	3.0
83.08616	9.9
85.06549	24.6
89.07163	19.5
91.05484	7.9
93.07049	39.6
95.04990	2.1
95.08627	9.6
97.06543	12.0
99.04460	5.0
107.08595	37.6
109.10157	21.9
111.08108	4.3
123.11715	31.5
127.11169	2.4
135.11691	50.5
141.12747	40.8
153.12750	47.4
156.09378	7.4
171.02921	3.9
171.11700	7.2
171.13744	4.1
171.14964	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1174
Annotation	(2E)-9-hydroxynon-2-enoic acid
Peak:m/z	Relative Intensity
53.25670	1.0
55.05514	20.6
57.03431	2.7
57.07085	2.0
59.05011	7.5
67.05508	100.0
69.07079	1.5
71.04976	2.5
72.93789	4.4
79.05492	2.4
81.07059	12.9
82.57648	1.0
83.04974	8.5
83.08628	8.6
85.06541	3.4
86.96204	1.1
90.94826	4.5
91.05512	5.1
93.07034	2.9
95.08593	3.7
96.91640	1.2
101.06036	6.0
107.08551	1.5
107.13398	1.1
109.10162	75.8
110.10505	2.0
111.04459	11.1
111.08126	2.5
117.07043	1.6
119.08591	6.0
120.98199	1.2
128.07066	1.2
128.31902	1.0
129.05473	3.3
131.08551	2.5
137.09630	1.4
145.10117	1.8
146.09456	1.3
149.94077	1.3
149.96045	1.0
155.06998	7.2
155.10634	1.3
167.97162	1.7
173.08167	14.3
173.11739	5.8
173.13109	2.4
186.88702	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1175
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.05511	30.5
57.03439	51.5
59.05006	5.2
67.05511	16.2
71.08638	100.0
72.93774	17.0
75.04475	7.2
81.07065	4.1
83.04974	25.4
86.06068	4.5
87.04473	10.2
89.06025	14.3
90.90386	12.3
90.94841	13.4
91.05479	4.4
99.08098	76.5
101.06038	21.7
103.03300	4.3
109.10143	7.3
110.10464	3.6
111.04446	33.1
113.96390	4.7
117.09126	31.3
127.07589	3.4
129.05475	14.0
131.08539	12.4
131.92990	6.6
145.07617	3.4
149.94044	11.5
149.96089	6.1
155.07031	29.4
167.95087	3.7
167.97171	4.6
173.08182	45.1
173.11748	39.8
173.13264	10.8
174.07579	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.7
56.05014	0.7
56.96562	4.6
57.04546	1.0
60.05643	1.1
61.38323	0.5
68.05023	0.7
69.03416	1.4
69.92340	1.0
69.92698	1.0
70.06586	3.6
70.95875	5.3
71.06116	20.5
72.08144	1.8
72.93788	4.3
74.74926	0.5
82.06588	0.6
83.04961	0.5
86.06068	9.7
87.04469	29.5
88.08764	3.9
88.96909	1.0
90.94799	1.8
97.02876	0.4
97.35114	0.4
98.06014	0.6
98.97621	0.6
98.97852	0.5
98.98461	4.0
101.00869	1.6
102.05551	0.6
103.02438	0.8
104.07109	7.2
110.97549	2.1
111.04464	0.7
111.98473	5.6
113.96360	0.8
113.98628	1.2
114.05492	0.9
115.02415	0.6
116.07073	1.0
119.01917	3.0
128.07063	1.5
128.98605	2.0
129.05678	0.5
129.06592	0.9
129.99515	2.1
131.24857	0.5
131.97409	3.0
131.99657	0.6
132.05058	2.1
132.06551	1.0
132.08098	0.6
132.94910	1.0
132.95834	12.1
133.03494	2.4
144.95808	0.5
146.06058	0.6
146.08141	0.9
146.99628	0.7
149.98505	1.7
150.96887	14.3
151.04498	1.2
151.93857	0.5
151.97040	0.5
155.97430	5.4
156.11328	1.2
156.98047	0.8
160.04659	0.8
173.98509	4.9
174.06082	4.8
174.07645	2.2
174.12386	100.0
174.99176	5.4
175.04503	6.0
193.00198	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	174.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.2
57.03447	0.7
57.04557	1.2
60.04523	1.1
60.05628	0.8
63.23501	0.6
69.03412	0.9
69.77254	2.0
69.77614	0.8
70.06586	1.3
70.95844	0.9
71.06121	21.0
72.08156	0.9
86.06071	9.5
87.04472	29.7
88.08765	3.8
98.98479	0.7
99.29087	0.7
101.00883	1.4
104.07104	7.9
111.05537	0.7
111.98481	0.8
114.05521	0.7
119.01906	2.7
119.72678	0.6
128.43773	0.6
132.95839	2.5
141.87093	0.5
142.03534	0.8
143.08116	0.7
145.02594	0.8
150.96869	1.6
156.10249	0.8
160.04602	0.7
173.98416	0.8
174.12386	100.0
174.14873	2.8
175.04504	1.6
175.12737	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.1491
Annotation	9-Aminononanoic acid
Peak:m/z	Relative Intensity
55.01872	1.7
55.05514	12.7
56.05030	2.9
56.05830	1.8
57.03423	2.8
57.07081	2.0
59.05001	1.9
67.05502	3.5
67.92645	0.8
69.03442	1.7
69.06711	1.6
69.07071	25.5
70.06592	1.9
70.95863	12.9
71.35155	1.2
72.04511	2.1
72.93791	10.8
73.93838	1.1
79.05503	5.3
81.07052	5.7
82.06592	1.1
83.04519	0.8
83.04976	3.2
84.05302	1.8
86.06066	1.3
88.96907	3.7
90.94828	2.8
91.94867	1.2
93.07051	11.1
95.08610	6.7
97.06525	5.7
97.10162	9.4
98.06050	1.1
98.98474	13.9
100.07613	1.0
101.06021	1.9
102.06356	1.5
102.29670	0.9
111.11696	1.5
111.98477	12.7
112.04778	2.2
113.96391	1.3
116.07127	1.0
116.97234	1.3
118.06529	1.1
121.10156	7.9
128.07092	3.1
129.99525	4.5
130.05806	1.7
131.97446	7.8
131.99638	2.2
132.06558	5.6
132.08086	1.5
132.95839	26.7
138.12744	1.9
139.11176	4.2
146.06012	1.2
146.08153	1.8
149.96181	1.0
149.98483	4.0
150.96884	35.0
151.93857	2.0
151.98616	0.9
155.97429	10.4
156.07423	2.2
156.13841	100.0
157.14195	1.3
167.97099	1.8
168.98045	1.1
173.98471	14.0
174.05490	1.5
174.07393	6.7
174.12756	6.8
174.14896	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.6
58.99863	1.3
69.62994	1.2
69.63384	1.0
70.99896	0.5
73.06600	0.5
77.00886	0.5
82.80074	0.5
82.99857	1.3
85.01411	6.6
90.84407	0.5
97.01420	0.4
98.22831	0.9
98.97570	1.6
98.98468	11.6
101.00876	13.7
103.00649	0.5
103.02444	21.1
113.00903	1.4
115.02429	7.2
116.01949	1.2
116.97237	1.1
116.98627	1.2
118.03511	0.7
119.01920	42.1
120.02030	1.7
121.01663	1.8
121.03484	6.5
127.02425	1.1
131.01892	3.4
133.03467	53.5
133.05150	2.0
134.02974	1.7
134.03778	0.8
134.99658	0.6
136.44402	0.5
137.02950	10.9
142.03461	0.7
145.03461	13.3
148.03925	0.5
149.02962	0.9
151.04521	18.6
151.98460	1.1
152.96870	0.8
157.03468	3.5
160.74619	0.5
163.04518	5.1
174.06081	0.6
175.04527	100.0
175.06207	6.2
175.14793	1.0
176.04617	2.7
176.05978	0.5
185.07176	0.4
193.05573	3.9
193.07396	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0755
Annotation	1,2-Dihydroxy-8-methylnaphthalene
Peak:m/z	Relative Intensity
52.60476	1.3
54.83457	1.8
55.01860	2.2
69.03418	3.4
70.06573	6.0
71.44212	2.0
72.04474	1.5
74.96186	3.4
79.05474	2.8
85.66653	1.6
91.05478	45.6
91.43325	1.6
92.97188	1.5
93.07066	2.0
95.04940	1.6
98.97520	2.4
98.97791	2.3
98.98468	46.7
103.05465	2.2
104.06239	11.5
105.07014	3.8
107.04968	9.5
115.05453	29.2
116.97216	3.4
116.98611	3.4
117.07021	25.1
119.07742	2.9
119.08583	51.5
125.21324	1.4
128.06226	19.2
129.06998	16.9
130.03271	1.5
131.04924	4.9
131.99496	1.5
132.05710	54.3
133.10121	3.0
143.04973	1.7
145.06456	6.4
147.06865	2.7
147.08047	47.0
151.93990	3.0
151.98495	4.1
152.96924	2.0
155.05988	4.6
160.05200	41.1
175.07533	100.0
175.10988	3.1
175.13393	1.8
175.14783	2.7
175.98463	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	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15118	0.3
60.05652	41.3
69.64111	1.6
70.06595	100.0
71.04988	1.7
71.06927	0.6
72.08154	4.7
81.84544	0.3
84.08154	1.2
84.10595	0.4
88.07631	0.7
97.07648	0.5
98.06033	0.6
98.98463	1.4
111.79562	0.4
112.08723	4.1
113.07133	0.5
114.05555	0.4
114.10317	0.7
115.08713	1.2
116.07096	30.6
119.01906	1.0
130.08746	0.8
130.09770	12.9
133.03450	0.5
157.10895	1.9
158.09259	9.8
175.04527	1.1
175.11913	34.3
187.98770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1191
Annotation	L-Arginine
Peak:m/z	Relative Intensity
60.05650	40.9
70.06593	100.0
71.04996	1.4
71.06944	0.8
71.11134	0.4
72.08157	4.2
84.08153	5.0
88.07624	0.8
96.66615	0.3
97.07645	0.7
98.06054	0.6
100.93852	0.3
112.08743	4.0
113.07173	0.3
114.10305	1.2
115.08677	0.8
116.07094	29.9
117.07429	0.3
130.08672	1.6
130.09760	13.7
130.12257	0.8
132.02127	1.9
144.54741	0.3
157.10829	1.5
158.09267	9.4
175.11908	32.0
175.14403	1.1
176.01086	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05648	39.1
70.06593	100.0
71.04989	1.6
72.08161	5.1
78.93926	0.8
85.21172	0.8
92.04575	0.7
97.07610	0.8
98.91991	0.9
103.58031	0.8
112.08729	4.6
114.89340	2.8
115.08688	0.9
116.07093	29.5
116.89135	1.2
130.08781	1.1
130.09758	14.1
157.10860	1.1
158.09247	8.6
175.10338	1.8
175.11902	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	6.1
56.96574	0.6
57.07074	0.9
63.02716	0.5
65.21178	0.5
67.05490	2.0
69.07066	18.6
70.06580	0.6
70.62648	1.3
71.06517	0.5
74.96176	0.7
76.14213	0.5
77.03944	0.7
79.05489	2.3
81.07059	5.3
82.21781	0.6
83.08610	3.2
85.16398	0.6
91.05474	8.6
92.90090	0.7
93.07049	3.1
95.08631	4.7
98.97597	1.9
98.98470	15.7
105.07028	18.3
107.08581	4.5
115.05453	0.8
116.97208	1.8
116.98608	2.1
117.07026	3.0
119.08576	73.9
120.43075	0.6
121.10133	2.5
129.07022	0.8
130.06508	0.7
131.08546	3.6
131.99615	0.6
133.10127	64.8
134.99649	1.4
145.03526	0.7
145.10098	5.7
146.10925	0.9
147.08046	1.8
147.11679	9.9
151.93909	1.2
151.98514	1.3
152.96880	0.8
157.06403	0.9
157.10101	0.8
159.11641	0.7
160.05232	0.8
160.12437	2.9
173.13239	2.9
175.07445	1.3
175.08763	1.3
175.14816	100.0
175.98653	0.6
176.06987	0.8
176.15152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	5.9
69.07070	17.0
70.83617	1.2
70.83976	1.4
74.05692	1.2
79.05482	2.6
81.07044	6.9
83.08611	4.0
91.05471	7.5
93.07034	3.6
95.08611	6.9
98.98480	2.9
105.07022	18.2
107.08582	4.5
117.07014	3.1
119.08581	74.2
121.10130	2.5
131.08562	2.9
133.10127	70.3
145.10123	7.6
147.11665	9.9
158.10921	1.5
160.12468	4.5
160.90300	1.2
173.13205	3.1
175.14816	100.0
181.09402	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
53.45574	0.9
54.11221	0.9
55.05513	10.4
55.30265	0.9
57.07063	3.0
58.07403	1.2
65.87603	0.9
67.05499	3.8
67.44171	0.9
67.64180	0.9
69.07071	22.2
69.57259	2.2
69.57655	2.5
70.06596	1.7
71.08627	1.2
74.96216	1.1
79.05483	2.9
81.07056	11.8
83.08604	5.0
91.05473	9.8
92.97160	0.8
93.07070	4.8
95.08617	11.7
98.22618	0.9
98.97540	1.0
98.98469	20.6
104.06238	0.9
105.07034	36.7
105.07738	2.0
107.08609	8.1
109.10120	0.9
116.97208	2.0
116.98619	1.7
117.07008	4.0
117.58823	0.9
119.08583	92.9
119.79239	1.0
121.10153	4.2
131.08559	4.9
132.09276	1.3
133.10130	74.7
134.99591	0.9
145.10109	6.7
146.10913	1.7
147.08195	1.0
147.11671	11.9
147.12708	1.1
151.93919	1.4
151.98569	1.0
157.17857	1.1
160.12498	2.5
173.13264	3.0
174.18541	1.3
175.07365	1.0
175.11229	3.3
175.14822	100.0
175.18875	11.5
176.15144	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88073	0.8
55.05511	8.1
56.61545	0.7
57.07071	0.9
67.05513	3.9
69.07071	24.6
69.38690	3.0
70.06599	1.0
74.93185	0.7
79.05502	3.6
81.07063	10.4
83.08618	4.5
88.24874	0.6
91.05489	11.2
92.97254	1.1
93.07055	5.5
95.08608	8.0
95.33768	0.8
98.97550	0.9
98.97784	1.0
98.98470	16.9
101.56963	0.8
103.05460	1.4
105.07036	34.5
107.08588	6.8
115.51667	0.7
116.97200	2.0
116.98592	1.7
117.07045	3.9
119.08587	85.7
121.10137	3.5
129.07065	1.0
131.08537	5.4
132.09291	0.8
133.10132	73.0
134.10524	1.2
142.07735	0.9
145.10109	5.3
146.10902	2.2
147.11673	11.2
151.94005	1.6
151.98563	1.3
152.96928	1.1
157.04294	1.2
157.10049	1.3
160.12482	2.5
173.13275	3.1
175.04593	1.2
175.07430	1.4
175.08817	1.5
175.11189	3.4
175.14824	100.0
175.98534	1.6
176.07167	0.8
176.15129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04550	1.3
60.05655	8.9
70.06596	27.8
71.04984	1.3
72.08160	1.9
84.08138	4.7
85.06548	3.0
97.43699	1.1
98.97573	2.2
116.07097	5.8
130.09785	4.1
132.02116	100.0
133.02408	1.5
134.03635	1.8
144.13858	4.4
158.08089	1.3
175.11938	5.4
176.01097	27.6
176.04681	3.8
176.12749	1.8
176.16492	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	176.0111
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05647	4.6
69.87389	1.4
70.06598	9.3
71.04982	1.1
72.08169	0.9
84.08156	1.0
85.06534	1.0
95.08614	1.2
98.06007	0.8
98.23449	1.0
116.03308	0.8
116.07110	3.2
130.09822	1.3
130.83313	1.0
132.02116	100.0
133.02429	1.0
144.13898	1.6
175.11879	1.6
176.01099	25.9
176.12802	1.1
176.16493	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0544
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
56.96557	0.7
57.46674	0.5
63.02391	1.3
69.64252	1.4
69.64648	1.1
75.02295	0.6
78.04730	2.6
88.02215	0.7
89.03916	38.5
91.05482	2.9
93.07039	0.7
94.06608	0.9
95.04978	1.3
98.23528	0.5
98.98490	1.9
103.05470	1.5
105.06973	0.6
106.04166	3.6
107.08618	0.8
117.03381	69.8
118.03767	0.6
121.06557	1.2
124.05229	0.9
129.07152	0.5
134.03644	7.8
135.04424	4.9
135.11685	0.8
139.78760	0.6
145.02849	100.0
146.03206	1.4
149.05984	25.1
150.06302	0.6
158.06021	2.3
162.03105	1.3
163.03957	1.8
177.05466	33.2
177.10207	2.2
177.12677	1.0
178.05652	0.7
178.08611	1.1
186.05513	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	177.0545
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.83838	2.6
52.11911	3.3
53.86674	2.9
56.28521	2.5
56.96571	5.0
67.79478	2.5
70.33681	5.0
70.43005	2.7
79.05489	3.0
80.04993	2.7
89.03921	32.7
91.05493	7.6
93.06999	3.2
98.22739	3.7
98.97614	14.2
98.98451	21.5
103.05447	3.5
106.04156	4.0
106.74126	2.7
107.08604	5.2
116.98640	9.3
117.03374	64.7
119.08570	3.9
121.10133	2.5
133.10187	2.8
134.03645	6.5
134.99660	7.7
135.04434	6.0
137.09624	2.9
145.02855	100.0
149.02341	6.7
149.05966	18.4
177.05406	32.7
177.10320	12.8
177.12709	7.1
177.16360	2.8
178.12288	2.4
178.15892	8.4
186.84995	3.2
190.95290	3.5
197.98785	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	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.62899	0.3
63.02375	0.6
69.36974	1.1
69.37389	0.7
78.04706	1.8
89.03917	31.3
91.05482	2.5
93.07025	0.6
95.04971	1.1
98.97585	2.4
98.98447	2.0
103.05486	0.9
106.04169	3.1
107.08587	0.5
116.98604	1.2
117.03377	62.6
118.03704	0.7
119.04964	0.4
121.06532	0.5
121.10136	0.4
129.04521	0.7
134.03633	6.3
135.04417	4.2
145.02844	100.0
146.03183	1.1
149.02351	1.0
149.05975	20.1
158.06039	0.5
162.03154	0.6
163.03920	1.3
177.05464	28.9
186.05550	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
63.02352	1.3
69.29991	1.1
69.30405	0.4
71.25344	0.3
74.59738	0.3
76.69184	0.2
77.03922	0.5
78.04708	2.2
80.36819	0.2
89.03914	34.7
90.04271	0.5
91.05463	2.5
95.04958	0.7
98.97571	2.7
98.98518	0.3
103.05481	1.2
105.03396	0.3
105.04559	0.4
106.04165	2.8
115.08134	0.3
116.98624	1.0
117.03376	68.3
118.03694	0.7
119.04882	0.2
121.06440	0.5
124.05218	0.6
124.56553	0.3
129.04483	0.4
131.04922	0.3
134.03629	7.4
134.99631	0.3
135.04413	3.6
145.02843	100.0
146.03154	1.2
149.05975	22.6
150.06296	0.3
158.06096	0.5
162.03136	0.9
163.03900	0.8
177.05467	28.6
178.05814	0.3
181.34186	0.3
186.05557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.80602	0.2
62.01580	0.3
63.02383	1.0
70.73238	0.4
77.03954	0.4
78.04731	2.4
79.05508	0.3
82.63268	0.2
84.30272	0.2
89.03922	36.6
90.04241	0.3
91.05483	2.4
93.07068	0.3
95.04955	0.9
98.97580	0.7
98.98470	0.6
103.05496	1.3
105.03387	0.4
105.04533	0.4
106.04170	3.6
117.03385	71.9
118.03706	0.7
119.04929	0.5
121.06516	0.4
124.05161	0.7
129.04488	0.4
132.30737	0.3
134.03641	8.4
135.04439	3.7
145.02853	100.0
146.03221	1.2
149.02414	0.6
149.05983	21.7
158.06056	0.4
159.32864	0.4
161.38483	0.3
162.03131	0.7
163.03922	1.4
177.05476	30.4
178.98044	0.3
186.05495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.2
65.04258	1.1
69.74008	3.7
78.04707	1.8
78.77242	1.1
79.05519	1.3
87.15842	1.0
88.88380	1.0
89.03383	2.3
89.03922	41.7
89.68823	1.0
90.04282	1.2
91.05468	3.5
93.07039	1.3
95.04993	1.6
98.98456	2.2
99.13640	1.0
103.05508	1.1
104.63754	1.0
106.04155	3.6
117.03387	73.8
118.03660	1.1
119.04906	1.1
121.06490	1.5
124.05168	1.5
126.65768	1.3
134.03629	9.6
135.04427	8.9
145.02852	100.0
149.04855	1.7
149.05989	26.5
158.05995	3.0
162.03113	2.3
163.03899	2.5
167.06125	1.0
177.05461	35.4
177.10297	5.5
178.08647	1.1
186.05490	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	178.0501
Annotation	Isalexin
Peak:m/z	Relative Intensity
53.03955	0.3
55.87956	0.3
56.96575	0.5
61.12666	0.3
68.99784	0.7
71.47516	0.4
73.23287	0.2
79.05491	3.4
80.05022	0.6
82.06579	0.5
83.01365	0.4
88.02226	1.0
91.05474	0.4
92.05012	1.4
94.02930	7.5
94.06573	0.3
95.04980	1.1
95.08637	0.3
95.34355	0.3
103.73016	0.2
104.04985	0.4
105.04512	0.8
105.07049	0.3
106.06540	0.4
107.03705	1.0
107.04408	0.4
107.08580	0.4
108.04494	0.8
117.43650	0.3
117.56130	0.2
118.02887	2.4
118.03661	0.3
118.96754	0.6
119.08601	0.3
120.04472	3.2
122.02387	1.1
122.06038	0.4
132.04456	0.7
133.10146	0.4
135.03157	9.2
135.04160	0.6
138.01852	0.7
146.03270	0.5
150.05502	52.2
151.05824	0.7
154.96504	0.4
163.02615	0.6
163.06244	0.5
172.94261	0.4
177.12770	0.3
178.04991	100.0
179.05299	1.0
179.10664	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88369	0.4
59.30986	0.4
66.63346	0.4
70.10207	0.5
70.10559	0.9
73.02898	0.5
79.97806	0.4
82.99820	1.8
85.02895	0.5
100.02496	0.8
101.00879	28.5
102.00941	0.7
115.02444	1.0
118.03513	0.6
119.01915	100.0
120.02012	3.2
121.02381	0.4
133.03490	4.4
134.02977	0.4
136.53648	0.4
137.02951	25.2
142.03523	1.4
143.01912	1.1
143.03598	0.4
151.04556	1.4
156.05046	3.9
161.02953	28.9
161.04494	1.4
162.02946	0.4
166.52194	0.4
174.06146	0.8
176.44855	0.4
179.00717	1.4
179.04010	34.8
180.04146	1.0
184.04576	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43790	0.3
69.10738	1.8
73.02939	0.3
73.64346	0.3
82.99834	1.8
100.02479	0.7
101.00883	26.3
102.00951	0.7
114.82500	0.3
115.02453	0.9
116.60421	0.3
118.03536	0.4
118.07723	0.3
119.01921	100.0
120.01996	2.3
121.02407	0.7
133.03468	5.5
137.02962	26.0
138.03043	0.6
142.03500	1.2
143.01830	0.5
143.03682	0.5
151.04532	1.3
156.05058	3.8
161.02965	28.6
161.04462	1.5
162.02974	0.4
163.07571	0.3
166.30449	0.3
168.31335	0.3
174.06119	1.2
175.68430	0.3
175.82802	0.4
177.22168	0.3
179.00795	1.6
179.04018	34.6
180.04163	0.7
184.04533	0.7
197.99127	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77334	0.5
53.03940	1.1
55.01871	9.7
55.16240	0.6
57.03442	9.8
60.04507	1.0
61.02927	5.6
69.03432	32.4
70.67696	1.0
71.01328	0.6
71.04991	2.1
72.04512	3.3
73.02918	6.5
81.03463	2.9
83.01358	0.5
84.04490	0.7
85.02907	100.0
86.03260	0.6
87.04482	1.3
91.03967	0.8
97.02894	19.6
98.06046	0.8
98.97623	0.5
99.04451	10.4
101.02371	5.2
103.03956	1.9
109.02863	2.9
114.05498	0.8
115.03931	4.6
117.03374	1.0
121.06509	0.7
123.91966	0.5
127.03918	59.7
135.04434	1.5
145.04961	29.0
156.97482	0.9
163.03900	3.7
163.06012	4.1
179.99127	1.0
180.02890	0.6
180.06708	0.7
180.08650	1.8
180.10159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.102
Annotation	(-)-Salsolinol
Peak:m/z	Relative Intensity
53.03939	0.7
55.01873	6.4
56.96569	4.9
57.03438	4.9
61.02932	3.4
63.36679	0.7
64.79144	0.7
69.03430	16.3
69.98615	2.3
70.79639	0.7
71.01358	1.1
71.04981	1.3
72.04532	0.9
73.02934	2.9
79.05412	0.7
81.03422	1.2
85.02909	48.6
87.04485	0.7
88.80377	0.8
91.05466	4.8
97.02891	10.1
98.01285	0.8
98.97591	44.3
99.04465	3.1
101.02401	2.5
102.01128	0.8
102.96892	1.9
105.07051	1.2
107.04991	1.1
109.02885	1.5
115.03890	0.7
115.05460	9.1
116.98626	22.7
117.07021	61.6
119.01925	0.9
119.04947	2.0
120.02037	2.7
120.97937	1.1
121.06500	3.2
122.06894	0.8
127.03922	29.9
133.05089	0.7
133.06474	1.5
133.48282	0.7
134.99658	7.4
135.04414	1.9
135.08060	2.3
135.71838	0.7
137.05984	12.9
141.01323	1.3
145.04997	12.5
145.06490	97.7
146.06828	1.0
148.02065	0.9
148.05293	0.9
150.05515	2.8
151.07570	5.7
153.00676	0.9
155.06075	2.0
155.60841	0.9
157.02585	1.8
158.01186	1.1
162.03076	1.4
163.07547	100.0
164.07918	1.5
166.30777	0.7
180.05318	5.0
180.10194	95.9
181.10582	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1385
Annotation	Tecomine
Peak:m/z	Relative Intensity
50.00854	0.3
53.03946	0.3
53.15915	0.3
55.05252	0.5
55.05511	5.9
56.96568	2.1
60.48372	0.3
64.31042	0.3
65.03941	0.3
67.04243	1.1
68.05030	6.2
69.07075	2.1
69.37371	1.6
70.06626	0.3
79.05499	0.9
79.74589	0.3
80.05035	0.4
81.07055	0.8
82.06583	3.4
83.08623	5.6
86.34764	0.3
90.49388	0.3
93.07040	0.8
94.06568	2.6
95.08624	0.5
96.04493	0.4
96.08118	0.6
98.06042	0.7
98.22645	0.4
98.97587	26.5
99.18010	0.3
105.07027	0.8
106.06590	0.3
107.07333	0.8
107.08608	1.5
108.08143	0.4
110.06042	71.8
112.07589	0.7
112.55865	0.3
116.98626	13.2
119.08562	0.6
120.08054	0.7
121.10143	1.0
122.09694	1.9
122.73772	0.3
123.61919	0.3
124.07594	14.3
133.60948	0.3
134.99643	4.1
138.09149	0.6
140.00146	0.7
147.10574	0.4
147.11699	1.3
148.11209	4.2
152.10637	0.7
158.01273	0.8
162.12782	1.4
163.13576	5.7
168.86557	0.3
180.13831	100.0
181.14183	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	181.0496
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
56.96565	3.3
57.14054	0.2
63.02377	0.3
65.03941	0.4
69.72540	0.7
71.95248	0.3
77.03931	0.4
79.05494	3.4
89.03918	13.3
90.04230	0.3
91.05486	1.8
92.64158	0.3
93.03413	0.6
93.07053	0.8
95.04947	1.0
98.22745	0.6
98.97583	48.7
105.04569	0.3
105.05773	0.7
105.07029	0.3
106.04182	0.8
107.04961	5.1
107.08627	0.7
111.04454	0.5
116.98624	24.3
117.03381	17.0
117.07051	0.5
118.03687	0.3
119.04947	0.7
121.06500	1.3
123.04361	0.6
133.05214	1.1
134.99654	6.8
135.04411	30.4
135.08044	2.8
136.04688	0.3
139.03906	0.5
140.00221	1.7
145.02847	21.2
145.03864	0.8
146.03191	0.4
151.06282	5.3
153.00705	0.5
158.01227	1.2
163.03900	100.0
164.04282	1.8
181.04742	0.6
181.06268	1.4
181.08571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.03976	0.3
56.96566	1.6
57.38539	0.2
63.02383	0.3
63.69408	0.2
65.03938	0.3
69.88342	0.3
69.88657	0.5
70.85806	0.2
79.05491	2.3
82.06985	0.2
89.03915	12.0
91.05499	1.1
95.04952	0.3
98.97583	22.4
107.04952	4.0
111.04441	0.4
116.98623	11.4
117.03378	17.0
119.04921	0.4
134.99661	3.1
135.04416	30.3
136.04753	0.5
139.03888	0.6
140.00175	0.9
145.02846	21.9
145.03867	0.9
146.03166	0.4
158.01230	0.8
163.03900	100.0
164.04240	1.6
167.93716	0.2
181.04883	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
53.03934	1.0
54.56795	0.9
55.01864	1.4
55.05503	1.8
56.96544	1.3
57.07077	32.4
59.04992	3.4
66.70147	0.8
67.05488	1.0
69.03412	1.4
69.07066	4.3
69.89234	2.2
75.85474	0.9
79.05486	7.4
81.03419	6.7
81.07038	5.5
83.04981	60.7
88.36132	1.0
91.05503	1.5
93.07047	5.3
95.04414	1.7
95.04970	21.4
97.06535	33.3
98.97591	18.9
100.03883	0.9
105.07019	3.6
106.36751	1.0
107.04947	2.2
107.08593	7.9
116.98618	8.4
117.06995	1.6
119.08575	3.5
121.06481	2.9
121.10141	9.1
125.05993	94.9
126.06320	1.2
130.07773	1.5
131.88144	0.9
134.99654	3.4
135.11731	4.7
139.41071	0.9
145.10124	10.4
158.01277	1.0
163.11186	100.0
164.11458	1.6
165.17911	0.9
181.12230	40.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
54.01230	0.8
55.05513	2.4
56.96562	1.6
57.07075	30.5
59.04995	2.8
67.05510	1.4
69.03418	1.8
69.07063	3.0
69.65917	3.4
77.03946	1.0
79.05489	9.7
81.03418	7.3
81.07067	4.1
83.04980	58.7
86.11681	0.9
90.05745	0.8
91.05485	2.0
91.46253	0.7
93.07034	5.0
95.04414	1.6
95.04972	19.4
97.06532	29.0
98.97585	24.0
105.07036	5.9
107.04961	2.8
107.08595	8.4
116.98619	12.5
117.07014	2.3
119.08589	2.5
121.06502	2.5
121.10130	9.5
125.05990	94.1
126.06335	0.9
130.07771	1.2
134.99669	3.9
135.11668	3.4
140.00191	2.0
145.10123	10.1
158.01250	1.8
163.11180	100.0
164.11514	1.8
181.12236	38.4
183.80257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01864	1.2
55.05500	4.2
55.57437	1.0
56.96549	3.2
57.07074	35.6
59.04987	2.6
67.05484	1.9
69.03426	1.5
69.07057	4.6
69.45613	1.9
69.46021	3.4
70.55318	1.0
79.05488	12.2
81.03418	8.8
81.07030	4.6
83.04978	73.8
84.73180	1.2
85.06514	1.5
91.05495	2.4
93.07062	7.6
95.04972	21.9
97.06530	37.2
98.97580	23.4
99.47408	1.0
105.07011	6.1
107.04949	2.0
107.08575	12.0
116.98618	17.3
117.07020	2.1
119.08568	4.5
121.06509	3.0
121.10125	11.3
125.05988	96.8
130.07744	1.5
134.99660	11.8
135.11678	5.9
140.00192	4.5
145.10132	13.0
158.01259	3.0
163.11180	100.0
164.11493	1.3
165.94420	1.0
180.90080	1.2
181.12222	38.0
204.28864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.045
Annotation	2-Methyl-3-hydroxy-5-formylpyridine-4-carboxylate
Peak:m/z	Relative Intensity
51.02385	0.6
52.01902	0.8
53.03952	2.4
54.03477	0.6
54.34267	0.5
55.01871	3.6
63.02380	2.7
65.03942	3.6
66.93959	0.5
67.01870	5.6
68.01403	3.4
68.02629	0.5
68.05019	1.9
68.99786	0.6
69.03424	0.7
69.39101	2.2
78.03459	3.3
79.01844	0.9
79.04253	0.9
79.05481	0.5
80.05021	25.3
81.03416	6.2
83.01337	2.3
83.17903	0.5
87.45222	0.4
89.03889	0.7
90.03457	2.9
92.05019	0.8
93.03391	0.6
94.14265	0.5
96.04494	3.7
97.02884	3.2
98.97572	2.5
99.97908	0.6
106.02933	2.5
108.04482	11.4
109.02874	1.5
110.03660	7.2
111.04482	0.6
116.98606	1.2
118.02895	1.6
118.03693	0.8
119.03670	1.3
122.06017	0.5
123.04433	7.2
124.03954	6.8
124.05277	0.5
125.04764	3.8
128.03429	0.8
132.04440	1.4
136.03938	23.9
136.05174	12.3
136.07558	1.3
137.02348	1.6
137.03662	0.8
137.04720	19.4
137.05791	1.1
138.05435	0.5
140.03436	6.4
146.03252	1.0
147.03163	0.8
150.03130	0.6
150.05499	3.3
151.03906	0.6
152.03424	1.9
152.04648	1.2
164.03336	16.8
164.07137	0.6
165.04254	7.0
165.05505	0.5
165.06639	0.8
182.04492	100.0
183.04802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02359	0.4
50.46128	0.4
51.02390	0.5
52.01906	0.6
52.20227	0.4
53.03949	2.8
55.01872	3.5
58.02950	0.5
63.02377	3.0
65.03941	3.6
67.01873	4.5
68.01393	4.1
68.05028	1.4
68.99802	0.6
69.03414	0.5
69.95671	0.5
69.95998	1.1
70.02965	0.5
78.03453	3.2
79.01848	1.2
79.04216	0.6
80.05019	23.1
81.03420	5.8
82.04203	0.9
83.01340	2.0
90.03454	3.5
92.04984	1.2
93.03448	0.5
94.06574	0.9
95.04958	0.4
96.04499	3.3
97.02885	2.3
98.97590	3.3
99.97913	1.1
106.02900	3.1
108.04484	12.0
109.02881	1.7
109.05289	0.5
110.03665	6.2
111.04449	1.3
116.98618	1.6
117.99004	0.5
118.02888	1.3
118.03701	0.7
119.03699	1.1
119.06102	0.5
120.04459	0.6
122.06026	1.2
123.04437	6.5
124.03953	6.9
125.02303	0.6
125.04745	2.8
128.03474	0.7
134.99699	0.5
135.04434	0.5
136.03937	21.9
136.05167	11.6
136.07523	1.3
137.02350	1.5
137.03574	1.1
137.04716	19.6
140.03423	6.4
146.03296	0.5
147.03195	1.2
150.03098	0.6
150.05507	4.5
152.03447	1.6
152.04649	1.0
164.03307	15.8
165.04231	8.5
165.06548	0.6
182.04489	100.0
183.04895	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60553	0.2
56.12001	0.3
70.06564	0.3
71.06398	0.3
73.08158	0.3
80.94976	0.3
82.99837	4.0
84.08130	0.8
86.09697	1.1
86.98325	0.3
98.98450	0.3
99.71630	0.2
100.24297	0.3
101.00875	41.4
102.00975	1.2
118.03445	0.3
119.01915	100.0
120.01981	2.4
121.02378	0.4
121.97575	0.5
124.02448	3.1
124.99975	0.8
125.02520	0.5
137.02953	19.1
138.03018	0.5
142.03494	24.2
142.94855	0.3
143.01923	0.7
143.03636	1.6
160.04529	5.3
160.95959	0.4
161.02959	12.3
161.04614	2.1
165.96581	0.7
166.12231	0.3
179.04010	14.1
179.05565	0.7
180.04094	0.4
184.04567	0.8
184.07333	1.3
184.09598	0.3
184.13347	0.7
202.05667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48645	0.3
70.68657	0.4
72.74623	0.2
76.41539	0.2
78.00626	0.2
82.01442	0.5
82.99835	3.5
85.29995	0.3
100.02476	0.3
100.61161	0.3
101.00876	46.9
102.00941	1.5
105.03596	0.3
119.01914	100.0
120.01996	3.0
124.02443	4.3
125.02599	0.3
133.03372	0.3
137.02948	17.9
138.03145	0.3
142.03493	26.0
143.01900	0.7
143.03578	2.2
160.04539	4.7
160.38472	0.3
161.02968	12.8
161.04657	2.6
162.03021	0.3
162.04317	0.3
164.52686	0.3
177.81375	0.3
179.04007	13.6
180.04018	0.3
184.04642	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77023	0.3
60.00629	0.3
61.04527	0.3
79.87859	0.3
82.99845	3.7
84.08170	0.3
86.09731	0.3
86.39233	0.3
89.84690	0.3
98.97603	0.5
101.00888	41.5
101.95017	0.3
102.00951	1.6
110.09682	0.3
119.01927	100.0
120.02019	2.6
120.51575	0.3
124.02454	3.1
125.02575	0.4
125.47739	0.4
133.01654	0.9
137.02965	19.1
138.03091	0.3
142.03508	23.9
143.01924	0.7
143.03613	2.2
144.03284	0.4
156.03212	1.1
160.04570	4.8
161.02969	11.8
161.04614	2.4
161.53044	0.3
166.05000	0.4
179.02422	0.8
179.04015	14.0
179.05634	0.6
184.04509	0.4
184.07428	0.5
194.09460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
58.06578	1.0
60.08163	15.0
69.31263	2.5
69.31670	3.8
71.07367	7.3
71.95271	1.2
75.18809	1.1
86.09706	76.7
96.13127	1.1
98.22689	2.2
98.98471	10.8
99.97910	0.9
101.00880	1.0
101.95027	20.4
101.97202	2.2
102.96863	4.5
103.85062	1.0
104.10727	3.5
106.16480	1.1
119.01909	5.3
119.96060	10.0
119.98152	1.3
120.02012	2.9
120.97888	4.7
125.00004	61.1
137.03023	2.1
137.97119	7.4
138.98949	3.5
142.03499	2.7
142.97606	2.2
143.03604	5.2
155.98183	1.6
160.04539	1.5
160.98717	3.4
161.04678	6.4
178.99774	1.7
179.05768	2.4
184.07349	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	184.0726
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05024	1.5
58.06604	1.3
60.08167	15.7
69.10728	2.7
69.11147	2.0
71.07374	9.5
74.83421	0.7
85.75885	0.7
86.09705	86.8
90.87648	0.7
98.72254	0.7
98.98471	15.9
101.95030	4.5
102.96868	2.4
104.10720	3.4
119.01917	1.7
119.64607	0.8
119.96061	1.8
120.97904	1.3
125.00004	75.4
137.97061	0.8
142.03514	0.9
143.03625	0.9
161.04642	2.5
171.69922	0.7
173.45937	0.8
184.07339	100.0
185.07545	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	184.0733
Annotation	O-Phosphocholine
Peak:m/z	Relative Intensity
56.05019	1.0
58.06595	1.6
58.43952	0.9
59.58942	0.8
60.08164	15.4
60.95843	1.1
65.74385	0.7
66.88046	0.7
71.07376	9.5
71.95280	1.2
81.86292	0.7
86.09709	81.6
98.98470	13.1
101.00898	1.4
101.94363	1.1
101.95036	21.6
101.97211	2.4
102.96864	4.8
104.10773	3.5
119.01913	5.7
119.96069	10.8
119.98223	1.3
120.02028	2.4
120.97920	4.1
125.00004	69.2
137.00110	0.8
137.02992	1.5
137.97108	6.4
137.99271	0.8
138.09088	1.0
138.98933	3.1
141.25107	0.7
142.03578	1.8
142.34735	0.7
142.97667	1.4
143.03670	3.8
155.98166	1.5
158.30159	0.8
160.04538	0.9
160.98691	2.9
161.04688	5.8
162.04243	0.8
164.55142	0.9
178.99774	1.4
179.05727	1.6
184.07347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	184.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83370	0.6
60.95832	1.0
64.60376	0.6
69.69944	2.3
70.06607	1.7
80.02612	0.7
81.03399	0.9
86.09721	2.5
95.04954	2.8
97.02898	0.9
98.03643	2.4
98.98451	2.0
100.97175	0.9
101.00871	5.9
101.95026	11.7
101.97208	2.3
102.00930	0.8
102.96870	5.5
108.08983	0.7
109.02852	2.3
111.04430	1.1
119.01921	23.1
119.03693	0.8
119.96085	6.3
119.98235	0.9
120.02023	2.3
120.97911	5.0
121.07632	0.8
123.04443	3.9
124.02477	1.0
125.00046	1.2
125.05982	1.6
126.03139	9.9
137.03075	5.5
137.97127	4.3
137.99246	1.3
138.03012	0.7
138.98943	3.0
141.05466	47.8
142.03500	7.2
143.03610	2.6
154.02603	12.8
154.06210	1.2
155.98149	1.1
157.76561	0.7
160.04604	2.4
160.98711	0.9
161.02989	3.7
161.04716	5.5
169.04961	89.6
170.05305	0.8
178.99704	1.0
179.03970	2.6
179.05734	2.0
184.07314	100.0
185.07626	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24263	7.8
59.06191	7.0
70.16759	18.9
70.17110	16.0
71.54060	8.5
74.29084	9.1
80.70068	8.4
84.08182	9.1
85.71128	8.3
97.52604	10.1
98.22713	13.4
101.00890	23.6
102.00970	37.5
103.00635	12.5
107.46603	8.5
119.01924	52.1
120.02003	100.0
120.14799	8.1
121.01676	28.8
121.07629	10.2
131.01926	24.8
137.03012	10.2
138.03084	20.6
139.98120	8.2
143.03627	29.4
144.03250	19.7
145.03452	11.0
149.07037	11.5
162.03072	16.8
162.04343	20.1
166.70116	9.1
173.03006	11.1
180.04118	11.2
185.02861	18.7
185.04274	37.3
185.11426	10.4
185.12854	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96873	0.3
68.99111	0.3
69.73312	0.7
69.73703	0.7
73.97884	0.3
79.96332	0.3
80.00735	0.3
82.06549	0.3
84.04491	0.4
88.02171	0.4
95.70924	0.3
97.00809	0.3
102.96871	0.5
103.97175	0.3
104.99250	0.6
104.99953	0.3
111.27184	0.3
115.05422	1.2
117.06990	0.5
119.02089	0.3
120.97898	0.6
121.00773	3.5
121.01662	1.4
124.56921	0.3
126.05562	0.8
128.48640	0.3
129.98250	0.3
130.06511	0.4
138.98874	0.5
139.01817	3.2
139.02718	0.4
142.06519	2.1
143.06030	0.4
143.07283	0.3
144.08076	20.4
154.04955	0.7
155.06024	0.4
157.07596	0.8
159.08055	0.3
163.01802	6.4
168.06712	0.5
169.07608	34.1
170.07976	0.6
179.09323	0.3
181.02855	10.5
186.10252	100.0
186.18571	1.0
187.10667	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0602
Annotation	Antibiotic C 2554A-II
Peak:m/z	Relative Intensity
53.03937	1.1
55.05516	0.5
57.03437	0.5
58.06594	0.6
63.97130	0.3
65.48677	0.3
67.05493	0.6
68.99793	5.7
69.03423	1.4
70.06586	0.8
70.58424	0.6
71.00971	0.3
71.01357	1.7
72.08150	1.4
81.03416	4.8
81.07063	0.6
83.01299	0.4
83.08618	1.2
84.02122	1.4
84.08134	0.5
85.02893	0.7
88.02200	3.1
89.03925	0.5
90.04235	0.4
95.55599	0.4
97.02888	0.5
99.04457	0.8
99.09213	0.4
104.99271	3.5
109.02878	8.8
111.00804	2.4
112.01582	14.4
117.03390	0.6
118.03724	0.9
126.03143	3.5
127.03911	93.0
128.07062	0.4
137.03499	0.4
141.05463	24.9
145.02872	0.6
145.96637	0.4
146.03145	2.1
155.03384	100.0
156.03726	0.7
159.07079	1.8
163.97707	2.0
169.04922	3.5
170.09665	0.5
170.11786	0.5
170.15367	0.7
182.03291	0.5
187.06010	5.5
187.10867	0.7
187.12381	2.5
187.14366	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72305	0.4
54.53241	0.3
56.96561	0.8
84.08170	0.3
84.96071	0.4
88.49408	0.4
91.05488	3.6
103.05471	0.4
106.43819	0.5
115.05470	5.0
117.05758	1.4
117.07014	3.5
118.06548	64.5
132.08128	0.4
142.06529	6.1
143.07309	10.5
144.04417	0.7
144.08096	23.9
145.06520	0.6
146.06013	100.0
146.91856	0.7
147.06334	1.0
154.12119	0.3
155.06000	0.9
160.07565	1.3
170.06026	8.3
181.41176	0.4
188.07072	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
54.39146	0.3
61.34310	0.3
69.77599	1.0
71.65829	0.3
88.75231	0.3
91.05474	3.5
92.46608	0.3
103.05529	0.5
115.05452	4.7
117.05761	1.3
117.06998	4.1
118.06541	62.0
119.06883	0.8
132.08112	0.7
142.06528	5.4
143.07307	11.3
144.04465	0.7
144.08084	24.1
145.06499	0.7
146.06004	100.0
147.06306	1.0
155.06047	1.2
160.07582	0.8
170.06023	7.9
174.23827	0.4
188.07066	27.5
204.23723	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.07069	1.2
57.59161	0.3
69.37241	0.9
69.37641	0.6
72.04497	0.5
86.06056	0.7
86.09708	100.0
87.10031	0.4
95.00274	0.3
106.86519	0.3
116.10735	0.7
128.10721	40.3
142.12280	0.4
146.11766	19.5
149.04945	0.3
170.11765	25.9
174.37735	0.3
188.12825	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	189.0395
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
55.01873	54.9
56.96556	6.5
57.03438	70.8
58.06603	1.3
59.05002	7.7
59.83384	0.9
60.08162	8.3
61.02930	3.9
63.02142	1.1
68.99776	1.5
69.60542	4.1
70.06593	1.9
70.98139	1.7
71.01355	40.2
71.04997	8.5
72.04509	1.4
72.08157	15.5
73.02916	28.4
75.04484	3.1
78.44267	1.1
83.01340	14.9
84.08145	39.3
84.99259	2.0
85.02914	4.9
86.09708	1.5
87.00836	2.3
87.04471	54.4
87.05016	2.6
88.99143	1.4
89.02404	10.5
92.73523	1.4
95.01331	11.0
97.02957	1.6
98.97588	10.0
99.00817	1.5
100.07607	7.4
101.02380	99.9
103.03954	9.0
110.97604	1.5
111.00796	10.7
112.07590	1.2
113.02352	9.3
114.05537	1.8
114.09179	2.7
115.03931	100.0
116.98618	4.7
117.01888	2.4
118.08677	4.1
119.01894	2.4
121.01656	1.5
121.03424	1.3
122.42599	1.4
126.09129	9.8
127.03915	4.3
129.01833	32.1
129.66483	1.0
130.08629	13.3
131.03380	3.0
133.01424	1.1
133.04997	1.6
134.99712	1.6
136.80463	1.1
141.01805	1.3
143.03401	11.5
143.11780	2.1
144.13855	1.4
145.03474	1.4
157.01324	87.5
159.02966	1.1
171.14925	3.0
175.02406	4.7
188.17613	1.7
188.97003	1.7
189.03995	6.3
189.05962	1.7
189.12439	1.5
189.15976	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	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.66404	0.8
55.05506	2.9
56.96539	1.2
57.03402	0.9
67.05502	1.8
69.03421	3.7
70.97063	1.0
77.44078	0.9
79.05491	3.4
80.27893	0.8
81.07062	4.2
83.04971	1.6
87.49919	0.9
91.05485	12.0
93.07035	3.5
95.04967	5.8
97.06499	1.3
98.47582	0.8
101.16190	1.1
103.05379	1.0
105.07038	24.7
106.96540	1.1
107.04955	0.9
107.07956	1.0
107.08591	6.8
109.06485	4.2
115.05448	0.9
116.06249	1.7
117.07013	3.7
119.04957	4.2
119.08581	33.3
120.08902	0.8
121.06575	0.8
121.10147	1.2
124.97583	0.9
128.06219	4.8
129.07016	4.8
130.07782	2.8
131.08569	27.4
133.06540	4.2
133.10139	8.5
135.08054	2.8
141.07002	4.2
142.07800	2.7
143.08594	9.8
145.06479	2.4
145.10129	15.5
146.07190	1.1
146.10909	3.0
147.04478	1.6
147.08063	13.3
147.11682	46.4
155.08513	1.4
156.09349	26.6
159.08066	7.9
159.11644	2.7
159.77153	0.9
160.08818	2.9
161.09578	5.3
161.13269	12.5
171.11694	34.9
174.10413	18.8
189.09157	4.5
189.12738	100.0
190.13068	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	6.4
63.23444	1.6
67.05484	8.3
69.03429	18.7
69.07054	6.5
70.06583	3.5
71.04974	5.0
71.45616	2.3
79.05510	9.0
81.07048	6.8
83.05000	2.3
89.94621	1.7
91.05484	16.4
93.07049	11.2
95.04953	3.4
95.08605	2.4
98.97584	2.4
103.75896	1.7
105.07031	39.9
105.47389	1.9
106.96553	5.6
107.08577	5.4
109.06483	3.6
114.22065	1.8
115.05511	2.0
116.98628	2.0
117.06999	6.9
119.04929	6.7
119.08579	60.3
121.85783	1.6
124.97582	3.7
128.06213	5.7
129.06967	7.0
130.07767	2.4
131.08539	7.1
133.06464	6.9
133.07416	1.7
133.10115	18.0
134.99582	2.1
135.08038	7.2
141.06996	5.3
142.07744	2.8
143.08574	18.1
144.09303	2.0
145.06454	5.4
145.10097	9.2
147.08034	22.7
147.11685	40.1
156.09352	26.2
159.08014	5.1
159.11703	4.3
160.08823	3.2
161.09651	8.5
161.13249	32.9
171.11685	30.3
174.10364	12.0
189.12732	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1347
Annotation	N(omega)-Methyl-L-arginine
Peak:m/z	Relative Intensity
50.65035	0.7
55.01878	6.4
55.05509	1.1
56.05048	1.1
57.03440	8.7
57.04562	10.1
59.04998	1.8
60.08169	20.0
60.08470	1.3
67.05503	2.2
69.03419	0.9
69.07062	0.6
70.06595	100.0
71.01363	5.3
71.05000	4.0
71.34402	0.6
71.45497	0.6
71.85022	0.6
72.08157	18.7
73.02917	2.9
74.07206	36.3
75.04457	0.8
83.01344	1.6
83.04971	1.1
84.04554	0.7
84.08146	88.0
84.99346	0.6
85.06573	1.3
85.08537	0.7
86.09715	2.7
87.04477	6.3
88.07630	1.7
89.02386	1.1
94.93067	0.7
98.06052	1.2
98.97594	0.9
100.07625	3.1
101.02385	14.1
103.03981	1.9
110.77490	0.6
111.00775	0.6
112.07615	1.6
112.08738	2.8
113.02356	0.7
114.05521	0.7
114.89361	0.7
115.03934	13.6
115.08698	6.2
116.07096	38.4
116.98651	0.8
118.08641	1.7
119.01900	0.9
126.09158	8.1
126.10221	1.5
127.03917	0.7
129.01854	3.7
129.10240	1.0
130.08643	32.7
131.03363	0.8
131.92467	0.6
133.09703	4.1
143.03374	1.7
144.11333	17.8
144.13800	2.1
157.01331	11.7
158.09282	5.9
164.81334	0.6
171.12291	0.7
172.09709	0.8
172.10841	6.7
175.02409	1.5
189.03911	1.2
189.13448	43.7
189.15977	18.1
190.14322	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1639
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.34579	0.6
55.05502	2.6
57.00525	0.5
65.73956	0.7
67.05496	3.0
69.07063	2.1
69.53140	1.4
69.53530	1.1
76.65478	0.5
79.05492	2.4
81.07059	19.8
83.08621	1.2
91.05479	9.2
93.07035	4.2
95.04926	0.6
95.08607	20.3
95.09219	1.1
97.10146	0.6
98.23467	1.3
98.65961	0.6
105.06348	1.1
105.07030	18.4
105.07738	1.1
106.96567	2.5
107.07942	0.7
107.08607	7.8
109.10157	5.4
119.08580	100.0
120.08916	1.4
121.10172	2.7
121.10995	0.5
124.97611	2.2
131.08502	1.4
133.10126	16.3
142.98654	1.7
145.10101	1.7
147.11688	10.3
149.02319	1.1
161.13257	39.7
162.13594	0.6
174.10318	0.6
189.12756	2.1
189.16383	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12827	2.9
54.30499	2.7
56.05044	3.1
56.96579	6.1
57.03447	5.7
60.08164	28.3
62.35319	3.3
67.05515	6.7
70.06595	79.1
70.41057	2.9
70.41373	4.5
71.04996	8.4
71.06126	8.8
72.08167	7.5
73.02926	4.0
74.07227	3.2
84.08149	100.0
85.02930	3.3
85.06569	22.2
85.08490	10.3
86.06060	4.1
98.97614	6.8
101.02394	5.7
102.02712	5.9
112.89643	5.9
114.05524	18.7
114.06224	3.2
114.89340	38.3
115.03949	6.4
116.89149	12.8
116.98634	4.4
119.01904	4.1
130.04962	4.0
130.08647	38.0
131.08983	7.0
140.11871	8.5
144.13829	3.9
149.01178	4.3
149.02362	4.0
158.01689	7.9
158.12921	27.6
171.45399	3.1
172.14481	13.6
183.77708	3.0
185.03033	3.8
189.16068	13.9
190.01259	8.5
190.10695	3.9
190.14182	16.1
190.15773	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	190.0128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52702	9.3
60.08158	39.2
60.68148	9.8
70.06590	70.8
71.04977	15.7
71.21453	14.4
72.08168	18.0
84.08146	100.0
85.08464	17.6
98.97562	11.8
100.07629	16.9
102.99969	10.4
112.07657	21.8
123.53840	8.8
126.09145	11.9
127.63893	9.0
130.08673	55.0
131.10938	10.5
172.09694	21.2
189.15977	30.2
190.01225	50.0
190.10707	15.5
190.14374	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	190.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	4.0
57.04555	4.6
57.47591	1.8
60.08178	11.0
65.06029	1.8
65.93284	1.8
67.05495	2.8
70.03184	5.8
70.06597	100.0
71.04984	4.4
71.06110	7.7
71.06933	3.4
72.08156	8.0
74.07202	12.3
75.07581	1.8
81.07050	3.7
83.86192	1.7
84.08154	36.7
84.08649	2.9
85.06557	8.5
88.07621	2.2
105.25856	1.9
109.06443	2.3
109.10168	2.4
115.08733	3.1
116.07095	9.5
126.09138	2.4
130.08633	15.5
134.16249	2.0
134.22760	1.9
137.05978	3.9
140.11844	6.6
144.11354	4.8
144.13797	1.8
154.08627	3.2
155.07028	2.3
156.31061	2.2
158.09360	2.0
158.12906	20.5
164.11986	1.9
166.07568	2.1
172.10896	2.8
172.14505	10.1
189.13448	9.0
189.15991	6.6
190.14066	3.7
190.15602	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	190.0266
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08172	15.0
67.05511	20.1
67.59659	13.2
70.06584	99.4
70.62767	23.7
72.08190	16.3
79.05569	12.0
81.07053	16.0
84.08140	100.0
98.97597	25.7
98.98576	14.7
100.07669	31.3
116.54080	14.7
130.08647	33.7
130.96632	13.9
131.09090	18.1
137.05995	24.9
150.58511	14.1
154.08641	18.8
182.21141	12.0
189.13496	40.3
189.15990	22.2
192.04272	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	190.0501
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
55.05512	0.9
56.96568	0.6
65.52923	0.4
68.99800	0.6
69.03422	0.8
70.06603	1.1
76.12976	0.4
79.04241	1.4
79.05490	0.7
81.07056	1.7
88.07639	0.4
89.03938	0.4
91.05499	1.2
95.04972	0.6
95.08608	0.4
98.97630	0.5
99.08136	0.6
105.07043	1.5
106.02890	2.5
106.06590	0.6
109.10167	0.4
116.04975	1.6
117.05726	0.6
117.06977	0.4
119.03694	0.9
119.08614	2.2
120.08905	0.5
120.89710	0.4
130.02873	0.6
131.08556	0.6
133.05232	0.4
133.10115	0.7
134.06029	0.9
140.12877	0.4
143.08534	0.6
144.04465	0.8
145.10086	1.1
146.10391	0.7
147.03154	15.3
147.07994	0.6
147.11700	1.9
148.12064	0.7
149.02309	2.2
156.09358	3.1
157.09630	1.3
159.08020	0.8
160.08530	0.4
162.05505	100.0
163.05928	0.9
166.53963	0.4
171.11699	2.9
172.11996	2.2
174.10399	0.7
175.10765	0.6
189.12735	6.8
190.04994	49.2
190.13126	3.9
190.15822	0.4
190.18021	1.6
191.05420	0.7
191.07065	1.0
191.14377	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1261
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99070	1.0
55.05499	0.5
57.07074	18.4
59.99103	3.1
71.12722	0.6
78.00152	29.5
84.08153	0.5
85.38266	0.3
86.09706	8.3
87.04446	0.6
92.01700	0.5
95.08569	0.5
134.06348	35.3
142.59598	0.4
148.07880	2.7
149.02325	1.8
162.05582	0.5
190.12595	100.0
191.12941	0.8
192.31761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94666	0.5
53.62452	0.4
55.05505	2.7
56.96566	1.9
57.03419	0.6
60.08167	3.0
61.02920	0.7
61.08506	0.7
67.05516	0.6
68.05028	0.7
69.84852	1.3
70.06592	100.0
71.01360	3.0
71.05001	6.3
71.06116	15.9
72.04515	0.5
75.04467	2.4
81.04559	0.6
84.08137	3.4
85.02915	0.8
85.06541	15.2
85.08467	3.5
86.06075	0.6
86.09753	0.5
87.04462	1.1
87.10052	0.6
88.07626	2.4
88.08752	2.0
90.94828	0.7
97.99292	0.5
98.22765	0.6
98.97577	0.9
101.02397	0.5
102.09173	1.1
103.03941	2.9
105.03730	0.6
114.05541	0.4
114.09179	0.5
116.98637	1.3
119.01945	0.5
126.09082	0.6
130.05061	0.5
130.08633	1.1
131.03429	1.6
131.08981	1.4
140.11826	13.0
142.08702	1.2
144.13794	3.2
149.01266	1.5
149.02339	0.9
149.96072	0.7
154.08618	0.5
155.11821	0.5
158.12891	36.3
159.13159	0.4
162.11302	0.9
167.97214	0.6
172.06177	0.7
172.09679	1.7
172.14459	16.4
185.02940	0.7
190.08643	1.0
190.10857	1.0
190.12321	1.1
190.14343	6.2
190.15598	10.7
191.12955	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.9719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.5
56.05003	2.2
56.96556	9.3
56.96808	2.0
57.03457	3.7
62.06086	3.3
62.98248	3.7
67.05491	2.3
68.78091	2.1
69.03413	4.8
69.80254	6.3
70.06593	100.0
71.04989	8.6
71.06107	17.5
71.06924	7.6
72.08153	4.8
73.02917	6.6
73.08474	3.3
74.06081	12.1
78.95641	11.7
81.03414	2.6
84.04501	3.6
84.08146	4.6
85.02902	6.1
85.06546	18.4
85.08469	3.7
88.07623	2.2
94.93008	8.2
97.02888	3.5
98.97580	8.2
101.00925	3.4
114.05589	3.7
114.89363	11.9
116.89133	5.0
116.98610	6.4
119.01894	7.2
131.01830	2.6
140.11826	9.2
141.10225	2.7
143.01854	5.7
143.61900	2.6
144.11316	3.3
145.03479	8.4
149.01253	5.7
155.01871	3.1
158.12894	28.7
159.13254	3.3
161.02953	7.4
168.05063	2.2
172.14500	10.0
173.02983	8.2
173.14864	2.1
177.00717	2.3
185.02916	2.5
186.06247	2.4
190.14055	4.3
190.15594	5.9
190.97168	3.5
191.02443	4.0
191.04044	27.7
191.14047	3.1
191.15915	2.7
203.04021	2.2
209.57593	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Damascenone
Peak:m/z	Relative Intensity
53.03937	1.4
55.05513	8.7
56.96555	4.2
59.04996	1.6
67.05504	5.1
68.79031	1.1
69.03434	20.5
69.06717	1.5
69.07075	17.9
69.42976	1.0
71.05006	1.9
79.05504	17.7
80.05052	1.6
81.07057	8.1
83.04984	4.7
83.08613	2.3
85.06532	1.3
91.05484	26.4
93.07060	13.0
95.04964	4.0
95.08611	9.8
97.06544	3.7
100.63075	1.0
103.05460	3.9
105.07036	82.2
106.06548	1.4
107.04960	4.5
107.07916	2.1
107.08598	28.3
109.06519	10.3
109.10124	1.7
111.08099	5.3
114.93175	1.1
115.05413	1.7
116.06213	1.9
117.07028	11.1
119.08587	100.0
120.08109	1.7
120.08904	1.3
121.06522	7.7
121.10147	27.8
123.08077	7.0
130.07814	1.5
131.00142	1.8
131.08575	21.2
132.09352	2.7
133.07646	1.8
133.10130	13.2
135.08064	16.1
135.11710	3.2
137.09546	1.9
143.08580	4.4
144.09381	1.6
145.10124	18.8
146.06007	2.6
147.08043	2.8
147.11685	39.9
149.01236	7.5
149.09624	85.4
149.13251	6.2
158.10851	5.9
160.05087	10.4
161.09637	1.7
162.05542	1.7
163.05858	4.6
163.11205	1.6
163.14815	3.1
167.02260	1.3
170.42320	1.2
173.09589	1.4
173.13298	18.9
176.11955	1.4
191.05406	2.4
191.08228	3.9
191.10600	3.8
191.11813	4.4
191.14314	71.9
192.07750	1.6
200.45256	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03954	0.4
55.05521	2.2
56.96579	1.4
57.03456	0.5
57.07084	0.9
59.04990	0.4
61.99288	0.3
67.05508	2.9
69.03426	7.0
69.07072	3.3
69.51287	1.4
71.05003	0.5
72.93778	0.5
77.03928	0.5
79.05492	5.5
81.07050	5.3
82.90511	0.4
83.04967	1.7
83.08649	0.5
87.04480	1.2
90.94817	0.5
91.05476	6.0
93.07044	4.5
95.04957	1.1
95.08611	2.2
98.97590	0.4
102.04698	0.4
103.05470	3.0
105.07028	10.7
107.04970	2.6
107.08589	15.9
109.06525	1.4
109.10152	6.2
110.43399	0.4
112.99148	0.4
115.05463	0.8
117.07012	1.4
118.04191	0.9
118.07774	0.5
119.06068	0.5
119.08566	3.0
120.08121	0.5
121.06459	1.7
121.10142	12.3
122.07289	1.8
123.08051	1.4
129.07025	0.4
130.04076	0.5
131.00156	0.8
131.04993	2.0
131.08577	4.8
133.10126	100.0
134.10500	0.8
135.08035	3.8
135.11685	1.6
137.09607	15.6
137.10663	0.8
143.08528	1.4
144.09373	0.4
145.07617	0.4
145.10098	2.2
147.11679	2.1
148.05157	1.4
149.01213	3.4
149.09581	1.7
149.12093	0.7
149.13251	10.0
149.96097	0.7
150.96806	0.6
158.10896	2.9
163.07521	2.4
163.11157	0.5
163.14833	1.8
167.02299	0.8
167.97141	0.5
173.13266	9.2
176.04565	0.4
191.07021	3.8
191.08543	0.7
191.11880	2.2
191.14270	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.5
55.01870	0.4
55.05512	3.0
56.96574	1.7
57.03439	0.5
57.07081	1.1
59.05006	0.6
61.08908	0.4
67.05508	2.8
69.03434	9.3
69.07077	2.1
79.05491	5.2
81.07057	6.0
81.22596	0.4
83.04975	1.6
91.05489	5.1
93.07055	4.6
95.04974	1.3
95.08598	2.2
96.81602	0.4
98.97604	0.6
103.05509	1.1
105.07043	9.5
107.04976	2.1
107.08600	16.2
109.06506	2.1
109.10155	6.3
109.52279	0.4
115.05472	0.9
117.07047	1.6
118.07778	0.5
119.08589	3.6
121.06529	1.7
121.10156	11.1
122.07273	2.6
123.08049	1.2
131.00183	0.9
131.08569	6.3
133.10135	100.0
134.10493	1.1
135.08052	4.6
135.11690	2.2
137.09622	19.9
143.08572	1.6
145.10138	2.7
147.11717	2.5
148.05251	0.7
149.01248	2.4
149.09592	2.0
149.13261	8.8
150.96880	0.6
158.10942	2.6
163.07512	0.6
163.14775	2.0
167.02362	0.7
173.13272	11.8
191.02292	0.6
191.06931	1.0
191.08430	0.5
191.11920	1.8
191.14308	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.03650	1.9
55.05512	3.4
56.96543	2.9
57.78479	1.8
59.04980	2.9
63.78155	2.2
64.10495	1.7
67.05495	18.7
69.03441	1.8
69.07051	8.7
70.07010	1.8
70.73653	3.1
71.04631	3.5
71.04989	50.7
79.05495	9.4
81.07050	9.6
82.18141	1.9
83.04970	4.0
83.08620	3.6
85.06542	19.8
86.30608	2.0
91.05489	19.0
93.07040	14.1
95.04949	5.4
95.08598	10.3
97.06527	14.4
98.23375	2.7
99.08072	2.3
103.05450	2.3
104.95365	2.3
105.07027	36.6
107.07850	3.0
107.08583	51.2
109.06510	23.6
109.10149	46.1
115.05423	2.4
117.07022	5.2
119.08564	17.6
121.06472	6.2
121.10142	86.0
122.10435	2.0
123.08064	50.4
129.06995	3.2
131.00148	2.4
131.07639	3.8
131.08559	42.0
133.10123	39.7
135.08066	41.1
143.08614	3.2
145.10085	13.0
147.11678	25.5
149.01167	3.4
149.09618	10.1
149.13245	14.0
158.10889	10.4
163.07578	2.3
163.14746	3.3
173.13246	47.1
191.07034	3.6
191.11775	4.1
191.14299	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Damascenone
Peak:m/z	Relative Intensity
55.05508	3.3
56.96562	16.7
59.04978	2.7
59.42114	2.4
67.05507	17.7
69.03415	2.9
69.07053	6.7
71.04996	17.4
71.45131	3.1
72.93758	2.9
79.05474	10.8
80.05008	2.4
81.07034	11.4
85.06528	4.4
86.71223	2.3
90.57817	2.0
90.94833	4.3
91.05460	14.7
93.07042	9.7
95.04966	14.7
95.08599	13.1
97.06509	3.2
98.97572	4.1
103.05450	6.8
105.07027	19.3
107.08582	27.7
109.06517	79.6
109.09419	4.9
109.10155	90.9
115.05414	3.2
116.98627	3.6
117.07015	6.5
117.23655	2.6
119.08562	10.6
120.08063	3.1
121.10151	14.0
123.08070	17.3
129.07007	4.7
131.00143	8.9
131.04916	6.7
131.08568	50.1
131.97485	3.2
133.10150	18.9
135.08051	91.2
139.01772	2.4
143.08519	4.0
145.10100	11.1
146.06058	4.6
146.09726	3.1
147.08110	3.0
147.11658	10.1
148.05196	2.6
148.08830	2.7
149.01201	26.0
149.09628	12.7
149.13245	8.0
149.96120	4.6
150.10402	5.2
158.10912	7.4
159.08046	5.3
161.09651	3.3
163.07555	5.9
167.02272	7.6
167.97127	5.0
170.72339	2.5
173.13257	48.3
173.14728	2.6
176.11893	3.2
191.02200	2.7
191.06955	6.0
191.10390	5.5
191.12001	15.4
191.14293	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64700	0.6
55.05509	2.7
56.96577	0.6
57.03426	0.6
57.07076	1.1
67.05511	1.3
67.91934	0.5
69.03432	7.6
69.07069	2.4
69.90302	0.5
70.60372	0.9
79.05489	3.9
81.07069	4.7
83.04986	1.3
83.08627	0.8
85.70673	0.5
91.05473	4.4
93.07039	3.0
95.08607	1.9
105.07032	8.6
107.04964	2.1
107.08595	15.9
109.06512	1.8
109.10165	5.3
115.05491	0.7
117.07015	1.5
118.07745	0.9
119.08569	3.3
121.06525	0.9
121.10138	10.0
122.07285	2.5
123.08087	1.2
129.07021	0.5
131.08554	4.9
133.10129	100.0
134.10417	1.1
135.08051	3.8
135.11720	1.7
137.09618	18.5
143.08580	1.2
144.72240	0.5
145.10107	2.1
147.11720	1.4
149.01167	0.7
149.09596	1.3
149.13258	9.4
158.10921	2.7
163.14830	2.1
163.24745	0.5
173.13263	10.4
190.45084	0.7
191.14304	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	192.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.1
55.01873	20.4
57.03436	33.8
58.99874	4.1
60.04517	4.1
61.02633	3.1
61.02925	39.7
65.45856	1.9
67.05511	4.0
68.63333	2.2
69.03426	48.9
69.07051	4.0
70.06586	6.1
70.17371	3.8
71.04992	4.0
73.02918	90.5
79.05508	2.0
81.01910	3.1
81.03408	13.9
82.99858	5.9
84.04507	3.9
85.02902	88.4
86.03249	2.5
86.09684	2.8
87.01902	6.1
87.04446	2.3
88.02659	4.9
91.04030	2.7
91.05476	2.4
93.01895	8.2
93.07032	7.7
94.02669	10.2
94.06552	2.3
94.99773	3.2
95.08606	7.1
96.02407	8.8
96.08115	3.9
97.02261	3.3
97.02888	57.8
97.06508	9.2
98.09698	4.4
99.01917	6.0
99.04440	11.8
100.02671	5.7
101.00884	42.8
101.03474	2.3
102.00980	1.7
102.02413	22.5
102.52567	2.8
103.03948	3.3
105.02930	2.0
106.02642	4.0
107.03454	3.5
108.02407	10.0
109.02914	5.1
111.02930	17.3
111.08103	4.1
113.00874	26.9
114.02397	12.2
114.09171	4.6
115.02421	5.4
115.03185	4.7
115.03925	4.1
117.02917	21.1
117.53063	4.4
118.03695	2.6
119.01926	39.6
120.02341	4.5
120.03426	2.5
121.03186	2.3
123.02928	22.6
123.53113	2.2
125.30977	1.7
126.02419	6.4
126.03439	8.7
127.02396	5.2
127.03912	43.8
129.02922	19.0
129.03865	4.0
130.03664	4.1
131.01894	49.2
132.02013	3.5
132.03427	17.5
133.03430	2.7
135.02910	10.5
136.03711	4.2
137.02925	3.7
138.03445	35.4
138.09152	3.7
138.53484	4.1
139.02364	4.8
139.07558	7.1
139.31621	1.8
141.03914	4.3
143.00775	3.8
143.01898	70.1
144.02011	5.1
144.03453	22.4
144.53589	2.1
145.03467	22.2
145.04962	7.5
147.01360	3.1
147.03979	24.9
147.54019	3.5
149.02983	4.8
150.03392	3.4
152.03181	2.7
153.03986	18.0
153.54091	2.1
155.01897	85.0
156.02019	10.3
156.10173	3.9
157.03464	14.7
157.08607	8.0
161.02945	50.9
162.03072	5.1
162.04483	7.1
165.03983	5.0
167.01923	21.8
168.02083	2.4
171.01450	2.4
173.02963	100.0
174.03056	6.8
174.04526	14.9
174.11256	8.9
174.15048	2.9
175.04575	2.8
183.05034	8.2
185.02956	57.8
186.03162	7.6
191.03987	8.3
191.13799	2.2
192.05492	3.4
192.12352	12.2
192.15938	3.7
197.02989	8.6
203.03990	37.2
204.04140	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	192.0768
Annotation	Carbendazim
Peak:m/z	Relative Intensity
59.04968	0.4
65.03913	0.4
66.44251	0.3
70.53304	0.3
72.93778	0.4
73.61568	0.3
83.19438	0.3
84.58629	0.3
86.09695	0.7
90.94794	0.5
91.05454	2.0
100.11211	1.0
105.07012	0.5
107.04964	1.5
120.02369	0.4
121.00734	0.4
130.27599	0.3
132.05585	1.6
132.06366	0.3
132.95836	1.4
133.06372	0.7
135.05516	0.4
138.03418	0.7
139.01752	0.7
146.06004	1.3
148.07623	0.3
149.94080	0.3
149.96179	0.3
150.96875	2.8
160.05055	100.0
161.05449	0.7
169.93752	0.3
174.05568	0.3
177.07834	0.7
191.97203	0.4
191.99678	0.4
192.07703	24.8
192.10074	1.5
192.13733	1.6
192.17455	2.2
193.04898	0.3
211.70345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.102
Annotation	Ephedroxane
Peak:m/z	Relative Intensity
56.96548	1.5
64.05827	0.8
69.91422	2.2
70.95874	1.8
72.34982	0.9
72.93428	0.8
72.93782	4.5
74.88499	0.8
81.03418	2.6
86.34524	0.7
90.94833	4.2
120.02361	2.6
121.00758	2.1
122.06022	1.0
122.29096	0.9
131.97437	2.9
132.95839	15.7
138.03444	6.2
139.01862	4.2
146.06046	1.5
148.07544	1.4
149.08386	5.1
149.96094	3.3
149.98505	2.3
150.01634	1.1
150.96902	25.6
155.97340	0.8
167.97189	1.8
168.98022	1.1
173.98508	2.4
174.05560	1.6
177.07854	42.2
191.97142	4.7
191.99472	1.7
192.06543	2.4
192.10194	100.0
192.13672	4.2
209.98192	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	192.1385
Annotation	DEET
Peak:m/z	Relative Intensity
65.03948	0.9
68.23479	0.4
69.95457	0.5
69.95790	0.8
72.04523	4.7
72.08139	0.4
80.69375	0.3
83.66194	0.4
91.05476	5.9
98.23368	0.7
100.07613	5.5
109.06530	6.8
119.04945	100.0
119.05985	3.6
120.05322	0.8
138.03384	0.8
139.01866	0.5
168.92683	0.4
192.10170	1.6
192.13829	53.6
192.17493	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
56.43770	2.2
57.03444	3.2
59.04983	2.2
61.21041	2.6
62.99282	2.3
69.03425	4.5
70.91247	3.6
73.02906	9.8
85.02900	8.4
97.02870	5.1
98.09715	3.7
101.00887	3.2
103.02335	2.3
115.29690	2.4
119.01931	6.6
127.03932	3.0
127.35262	2.4
128.50905	2.2
133.40953	2.3
138.53571	3.0
142.67700	2.4
143.01852	2.4
145.01639	2.5
145.03297	2.7
147.01408	7.0
153.54105	2.7
156.02089	5.8
162.03117	3.4
170.03021	5.3
174.14915	3.9
174.98775	2.7
175.02734	3.3
175.97215	6.1
187.02696	3.6
192.12137	3.8
192.15970	6.6
192.17610	2.7
192.99887	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71286	3.2
58.49977	3.1
69.93968	8.2
69.94287	3.0
70.06573	3.0
91.91473	3.1
96.92800	3.8
98.47281	3.4
101.07169	3.1
112.70918	3.5
114.89329	49.7
116.89122	100.0
117.05658	3.2
118.88936	10.2
134.08134	10.0
138.00369	3.3
141.82924	3.0
142.00694	3.0
175.97247	4.4
192.99870	84.5
193.01514	6.2
193.11877	4.1
198.26126	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	193.0498
Annotation	Scopoletin
Peak:m/z	Relative Intensity
51.02395	0.5
53.03953	0.5
53.74411	0.3
55.01860	1.0
57.03426	0.4
59.05004	0.7
69.69273	1.4
77.03915	0.4
79.05487	4.1
81.07066	0.5
89.03929	1.3
90.04664	0.5
91.05482	1.9
93.07036	0.4
94.04182	1.3
95.04980	1.3
102.99164	0.3
103.05466	5.3
105.03389	1.2
105.04520	0.5
105.07033	30.9
107.04979	0.5
107.08603	0.4
109.06508	1.0
109.10119	0.4
115.05460	6.1
117.03398	0.4
118.04157	3.5
119.05000	0.4
119.08575	1.0
121.06527	0.7
122.03660	3.6
131.04939	1.0
132.02066	0.4
133.02852	33.2
133.06490	26.7
133.10135	0.4
135.11694	0.7
137.05981	9.3
143.04976	0.8
143.06039	3.0
147.04417	0.4
147.11678	0.6
149.05975	2.5
150.03114	6.5
151.11156	0.5
160.08734	0.4
161.02403	1.6
161.05981	31.5
165.05505	2.6
165.07608	0.3
174.79579	0.3
175.11177	1.3
175.14951	0.4
178.02614	38.1
179.02945	0.4
192.13870	0.5
193.04970	100.0
193.08446	4.5
193.12225	1.1
194.05310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0862
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
53.03952	0.5
55.01875	3.7
55.55711	0.4
63.78448	0.4
69.67185	0.8
69.67577	0.9
77.03934	1.4
77.52146	0.4
79.05500	8.5
89.03906	0.7
90.04699	1.4
91.05501	2.9
94.04184	0.5
95.04970	2.4
95.09285	0.5
96.25134	0.5
102.04684	0.4
103.05476	12.3
104.06299	0.5
105.03411	0.9
105.07037	87.8
106.07375	0.9
107.04913	0.7
109.06554	0.6
115.04643	0.9
115.05458	17.6
118.04171	7.5
119.04927	0.5
122.03651	1.3
131.04945	3.7
132.05705	1.2
133.02870	10.6
133.06497	81.4
134.06863	0.7
137.05977	2.7
141.39902	0.4
143.04909	1.7
143.06052	8.2
149.05957	1.1
150.03117	5.3
161.05986	100.0
162.06346	1.0
165.05486	0.8
165.07413	0.9
176.06982	0.6
178.02626	23.4
183.15260	0.4
193.04988	49.6
193.06815	4.2
193.08534	12.6
193.12209	0.9
194.05396	0.4
200.95482	0.4
205.79388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
55.01867	3.7
55.05506	2.2
57.07059	0.6
59.05005	9.3
67.04617	0.5
67.05508	4.1
69.07063	1.1
71.46986	0.8
79.05490	11.9
80.24328	0.5
81.07048	2.5
82.04198	0.8
82.06481	0.7
84.70575	0.6
85.06539	2.4
89.03859	0.6
90.04701	1.5
91.05477	4.4
92.02586	0.7
93.07044	3.6
95.04979	3.3
95.08616	3.5
99.08107	4.6
103.05470	14.5
104.06237	0.6
105.03396	1.0
105.07029	88.3
106.07375	1.3
107.04937	0.8
107.08594	4.5
109.06502	1.3
109.10159	6.5
110.03630	0.7
115.05458	16.3
118.04154	10.4
119.04957	0.8
119.08581	4.7
121.10168	1.0
131.04935	3.3
132.05659	1.0
133.06488	91.6
133.10120	10.3
135.08026	1.2
135.11702	4.4
137.05940	0.7
137.09618	5.0
143.04958	1.2
143.06020	8.4
146.03479	0.7
147.04440	0.7
147.11702	1.9
149.05995	0.9
150.01866	1.4
151.11171	1.4
161.05978	100.0
162.06433	1.2
165.05420	1.3
172.69954	0.5
174.36459	0.5
175.03798	0.6
175.07469	0.6
175.14825	3.3
176.07117	0.6
178.06311	1.2
193.03519	1.2
193.04955	1.6
193.06781	0.5
193.08554	13.4
193.12242	1.5
193.15857	7.1
194.15382	1.3
205.34164	0.6
212.24005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.01866	2.3
55.05511	19.4
57.07080	10.4
57.07301	2.0
59.05001	9.7
67.05504	25.1
69.03444	10.0
69.07071	15.7
70.80891	2.6
71.04987	5.5
79.05495	14.3
81.07054	32.8
83.04980	25.4
83.08602	13.8
85.06522	4.9
91.05470	8.3
93.07054	24.5
95.04960	5.1
95.08607	54.5
95.09209	3.3
97.06508	2.6
103.05444	7.7
105.07031	61.6
107.08595	51.5
109.06527	16.7
109.10152	85.2
111.08069	9.9
115.05476	11.7
117.06966	3.3
119.06125	2.1
119.07735	4.3
119.08578	60.6
121.10144	37.3
123.08065	44.1
123.11694	10.6
131.04866	2.4
133.05536	3.1
133.06488	40.2
133.10121	51.3
135.11693	100.0
135.41974	2.2
137.09608	31.1
138.10442	3.6
143.06018	2.5
147.11682	6.3
149.13260	22.5
151.11169	10.1
151.14813	10.3
161.05972	45.7
165.16425	3.5
169.46017	2.0
175.14822	51.3
193.04930	2.4
193.08601	7.8
193.15871	90.3
194.15376	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.33746	1.3
55.05512	22.2
57.07068	5.5
59.05009	2.6
67.05506	21.2
69.03436	11.9
69.07069	19.5
69.76012	3.4
71.04987	3.2
71.08636	1.7
76.50550	1.2
79.05486	8.9
81.07059	32.7
83.04982	30.4
83.08619	11.9
85.06541	5.4
91.05470	9.6
93.07040	21.1
95.04973	3.7
95.08609	54.8
95.09216	3.2
97.06543	3.1
97.10153	2.2
99.08098	2.4
103.05499	2.6
105.07032	33.3
107.08592	42.2
109.06517	22.0
109.10159	71.4
111.08076	9.5
115.05459	3.4
117.07024	2.5
118.04095	2.1
119.08581	52.2
121.10141	29.9
123.08068	41.4
123.11729	10.6
124.08878	1.4
125.09655	2.4
131.08530	1.7
133.06497	11.5
133.10130	39.3
135.11694	85.9
137.08577	2.2
137.09616	30.4
138.10390	4.3
143.06070	1.3
147.11673	6.5
147.73714	1.2
149.13280	16.9
151.11183	12.5
151.14804	9.9
161.05981	13.9
161.49867	1.3
165.16380	4.8
175.14810	43.3
193.08585	5.4
193.15883	100.0
194.15701	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.9831
Annotation	Unknow
Peak:m/z	Relative Intensity
61.82731	5.9
71.45345	6.3
78.95649	41.2
86.59792	6.4
95.15298	5.5
96.72693	5.5
106.92574	6.4
107.97248	5.8
112.89623	11.5
140.84915	5.8
170.99034	7.4
176.95628	8.8
193.98274	100.0
194.00238	33.7
194.92038	11.6
197.57750	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	194.1178
Annotation	SALSOLINE
Peak:m/z	Relative Intensity
56.96559	1.2
57.87276	0.7
58.29263	0.6
62.95879	0.6
65.03915	0.9
70.49303	1.5
73.91911	0.6
79.05496	1.6
81.03416	0.8
89.06002	0.6
91.05480	8.4
93.07045	3.6
95.04964	2.1
98.97576	2.4
100.02472	0.6
103.05486	2.7
105.07020	2.0
106.06546	1.1
107.04947	0.7
107.08551	0.7
107.57759	0.6
110.40124	0.6
115.05453	8.6
116.98661	1.1
117.07021	67.7
118.07366	1.1
119.04969	4.2
120.08129	0.6
121.06508	31.7
125.05983	0.9
131.08563	1.7
133.06519	1.8
134.06012	1.8
134.09602	0.9
134.99660	1.4
135.04387	0.9
137.05980	1.0
138.06708	0.7
145.06490	100.0
146.06923	0.7
148.07610	3.0
148.11201	1.1
148.97375	1.4
149.05960	2.5
149.09641	1.8
150.09167	1.8
151.07547	25.7
153.05484	2.1
154.19128	0.7
155.06059	3.2
159.08098	1.9
159.11703	0.9
162.05486	4.5
162.06763	4.6
162.09143	1.0
163.03888	1.4
163.06274	0.7
165.07906	1.0
165.09135	3.9
166.08501	0.9
176.07082	2.4
177.09109	75.2
178.09471	1.1
179.05798	2.0
188.92511	0.7
193.31882	0.6
194.08142	29.3
194.11769	79.6
194.15398	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	194.1178
Annotation	Heliamine
Peak:m/z	Relative Intensity
56.96543	0.7
65.03937	0.8
67.05486	0.7
69.85068	1.1
72.52364	0.5
79.05495	1.7
81.03352	0.7
89.06044	1.8
91.05477	9.8
93.07053	3.6
95.04964	2.4
98.97591	2.2
103.05454	2.2
105.05786	0.7
105.07027	1.9
106.06585	0.7
106.07470	0.5
107.04961	0.7
107.08625	0.6
115.05460	10.3
116.06242	0.7
116.98617	1.4
117.07020	68.9
118.07378	1.2
119.04962	4.2
121.06507	28.6
125.05989	0.7
127.05461	0.8
133.05222	1.3
133.06488	1.3
134.06004	1.4
134.09622	2.0
134.99669	1.0
135.11711	0.7
137.05997	1.2
145.06485	100.0
148.07584	3.8
148.97339	0.9
149.05991	1.3
149.09576	1.6
150.05498	1.1
150.06775	0.8
150.09157	2.3
151.07544	30.5
153.05484	1.0
155.06070	2.8
159.08078	1.1
161.03461	0.5
161.04707	2.9
162.05496	4.6
162.06783	2.8
162.09135	1.4
163.03947	0.9
163.06268	1.7
165.07819	1.0
165.09145	4.0
169.49745	0.6
171.99043	0.8
176.07066	6.2
177.09109	81.2
178.04964	0.8
178.09319	0.8
179.05801	1.8
188.92526	0.7
194.08139	24.2
194.11771	90.8
194.15398	9.1
195.12218	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
62.61676	8.8
70.18855	21.7
83.09808	9.5
91.54398	8.6
94.93021	100.0
98.23421	13.0
117.07004	16.7
121.06495	36.1
132.62823	8.9
136.94026	10.1
145.06506	15.4
153.05498	10.1
161.64514	10.3
177.09193	21.7
194.94615	55.0
207.31200	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	194.9668
Annotation	Unknow
Peak:m/z	Relative Intensity
62.02333	7.6
65.68867	7.0
65.98396	7.2
70.06607	15.6
80.44977	8.2
81.81120	7.5
94.93066	11.8
105.03744	13.8
112.89609	100.0
121.02699	8.6
132.10194	10.1
136.94032	78.4
143.84416	7.8
194.13852	13.7
194.96672	59.7
194.99643	13.3
195.11285	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	195.0653
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
57.03424	1.1
58.38855	0.7
59.13942	0.7
67.05518	1.2
68.96333	2.1
69.37622	0.7
70.94246	1.0
71.45615	0.8
78.04722	1.4
79.05482	1.8
80.24039	0.7
81.03439	1.3
81.07056	2.5
85.02920	0.7
88.68005	0.7
89.03922	23.7
89.06028	3.6
91.05448	3.9
93.03424	1.6
93.07061	4.2
95.04989	1.0
95.08634	1.7
95.25326	0.7
96.08128	0.7
99.04446	1.2
103.05493	1.4
105.07031	1.3
106.04166	2.1
107.04980	0.8
107.08595	1.2
109.02867	1.3
109.98964	2.2
111.05548	0.9
117.03378	53.4
118.03686	1.1
121.06505	2.5
121.10110	1.0
125.06008	1.3
127.99976	1.1
130.96280	3.9
131.96126	1.2
134.03612	8.1
135.04420	8.7
135.11676	2.4
138.06592	1.0
139.04916	1.0
145.02846	96.3
146.03178	1.8
148.97368	4.3
149.05988	24.1
149.10789	1.2
149.13307	1.1
149.97226	2.3
153.05467	2.4
153.97900	2.8
159.11699	1.0
162.03098	1.7
163.03915	13.2
171.98952	4.8
172.98825	1.4
177.05470	100.0
178.03186	0.9
178.05827	2.7
186.05496	1.6
194.15404	3.4
195.11562	1.1
195.15614	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	195.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	1.1
58.38855	0.7
59.13942	0.7
67.05518	1.2
68.96333	2.1
69.37622	0.7
70.94246	1.0
71.45615	0.8
78.04722	1.4
79.05482	1.8
80.24039	0.7
81.03439	1.3
81.07056	2.5
85.02920	0.7
88.68005	0.7
89.03922	23.7
89.06028	3.6
91.05448	3.9
93.03424	1.6
93.07061	4.2
95.04989	1.0
95.08634	1.7
95.25326	0.7
96.08128	0.7
99.04446	1.2
103.05493	1.4
105.07031	1.3
106.04166	2.1
107.04980	0.8
107.08595	1.2
109.02867	1.3
109.98964	2.2
111.05548	0.9
117.03378	53.4
118.03686	1.1
121.06505	2.5
121.10110	1.0
125.06008	1.3
127.99976	1.1
130.96280	3.9
131.96126	1.2
134.03612	8.1
135.04420	8.7
135.11676	2.4
138.06592	1.0
139.04916	1.0
145.02846	96.3
146.03178	1.8
148.97368	4.3
149.05988	24.1
149.10789	1.2
149.13307	1.1
149.97226	2.3
153.05467	2.4
153.97900	2.8
159.11699	1.0
162.03098	1.7
163.03915	13.2
171.98952	4.8
172.98825	1.4
177.05470	100.0
178.03186	0.9
178.05827	2.7
186.05496	1.6
194.15404	3.4
195.11562	1.1
195.15614	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	195.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57878	0.3
55.05517	0.3
56.96556	0.6
58.25978	0.3
64.41363	0.3
65.03942	12.4
67.05493	0.7
68.96328	0.9
69.74175	1.1
70.06587	0.6
70.94252	0.5
71.04995	0.6
77.24222	0.4
79.05500	0.8
81.03419	2.1
81.07058	0.4
84.08145	0.4
89.03886	0.6
89.06039	1.2
91.05479	7.4
93.03404	23.6
93.07079	0.5
97.06539	0.4
98.06055	0.8
98.23383	0.6
98.97588	1.3
100.02471	1.6
105.07021	0.4
107.04955	0.7
107.08620	0.4
109.02884	1.6
109.98936	1.5
110.03648	2.3
111.04443	30.2
113.05954	0.3
116.98624	1.3
117.03380	0.6
118.03539	0.8
119.04945	5.5
121.06535	1.5
121.10144	0.4
122.06839	0.5
124.11250	0.4
125.05991	43.9
127.99982	0.6
130.96289	1.8
131.96155	0.6
133.08627	0.5
134.05997	0.4
134.99643	1.2
135.04411	1.0
135.11662	0.7
137.05923	0.4
138.06601	0.9
148.97334	2.5
149.97278	0.6
150.06721	0.7
151.07582	0.7
153.05466	100.0
153.97874	1.6
154.05824	0.7
159.11635	0.3
163.03914	2.8
167.11792	0.9
171.98947	2.0
172.95288	0.8
177.05435	0.5
177.10258	0.8
178.24864	0.3
181.44926	0.4
190.95302	0.4
194.15356	1.8
195.06528	5.3
195.08624	0.9
195.11295	4.4
195.15764	0.7
204.16035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0811
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01871	2.2
55.93528	0.3
57.66535	0.3
65.03942	1.6
65.06969	0.2
67.05512	2.3
70.69886	0.5
70.95862	5.3
70.96219	0.4
72.93786	2.9
73.02917	22.0
76.49905	0.2
77.03925	0.4
78.85433	0.3
79.05460	0.3
85.02926	0.3
88.96906	0.8
90.94848	0.4
91.05469	2.0
93.03404	1.2
95.04972	1.8
97.06492	0.3
101.83572	0.3
105.04528	0.3
108.02083	1.9
110.03671	2.3
111.04430	1.8
111.97688	0.3
111.98476	5.8
113.96384	0.4
114.94839	0.4
119.04932	1.4
123.04431	0.3
125.05991	16.3
129.99530	2.2
132.95834	11.7
136.01566	0.8
137.05968	1.0
141.05457	1.8
149.05960	2.9
149.70477	0.3
150.96902	10.1
151.03909	100.0
151.05011	10.2
151.07394	2.6
152.04272	0.5
155.97426	8.1
173.98485	9.7
179.07024	18.4
196.16930	0.3
197.00027	0.4
197.08083	7.4
197.09911	0.5
197.11804	0.3
198.18518	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	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
55.05505	5.4
57.03429	6.4
57.07054	2.2
61.02924	2.0
69.03434	12.0
69.07066	5.1
71.04965	1.3
73.02925	2.8
82.95600	1.3
82.98206	1.5
83.08604	4.4
85.02906	67.8
95.08623	1.9
97.02895	10.3
97.10184	2.9
98.97590	2.0
99.04449	2.9
101.00877	1.8
101.02374	2.5
114.09174	2.0
119.01916	2.4
127.03924	28.8
133.03453	1.8
145.04968	24.9
163.05986	6.1
166.08664	1.6
174.98650	1.5
180.08612	2.7
182.04526	2.0
198.18539	100.0
199.18849	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.5
55.01865	1.9
55.05511	5.0
56.96569	5.1
57.03443	2.1
57.07084	2.9
58.06605	0.5
59.78289	0.3
61.02916	1.2
61.43476	0.4
62.91514	0.3
65.09260	0.3
67.05490	1.1
69.03126	0.4
69.03434	5.4
69.07082	4.8
70.06585	1.4
70.98139	0.4
71.04993	0.7
71.08647	0.6
71.45761	0.5
71.86284	0.3
72.04514	0.5
72.08142	0.5
73.02901	1.6
79.05487	1.1
80.04997	0.4
81.03439	0.9
81.07047	2.0
83.04996	0.5
83.08615	4.4
85.02906	30.2
86.06067	1.3
91.03950	0.6
93.07085	0.8
95.04961	0.7
95.06111	1.0
95.08599	1.1
96.08142	0.8
96.92805	0.5
97.02890	3.7
97.06524	1.1
97.10172	1.9
98.22620	0.4
98.97601	1.0
99.04455	1.6
100.07609	1.6
101.02390	0.6
102.01006	0.4
106.06530	0.5
107.08625	0.5
109.02885	0.7
110.07214	1.9
110.97564	1.1
114.09216	0.5
115.03941	0.7
116.98619	0.9
119.01913	0.9
120.02022	0.5
121.06499	1.8
127.03916	14.5
128.98601	2.0
140.04604	0.6
145.04962	12.3
146.99617	1.1
152.07050	0.5
156.98114	0.9
163.05994	3.2
166.08583	0.6
174.99158	6.3
176.02255	0.5
176.03764	0.4
180.08643	0.9
181.02568	2.4
182.04366	0.6
193.00218	7.3
198.07657	0.9
198.18532	100.0
199.18983	0.7
211.01318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89231	16.5
57.07066	14.2
69.13213	100.0
71.83809	13.7
85.02899	32.7
89.14676	14.3
96.92856	16.8
98.97583	67.4
105.91202	16.0
110.01297	17.5
112.69923	15.2
114.89337	42.2
116.98631	51.8
119.01817	14.6
125.24621	14.0
127.03819	17.9
134.03023	20.5
134.99655	18.3
138.93826	27.5
146.02197	14.5
146.05373	21.4
157.40425	13.8
185.72443	19.5
198.18605	83.3
199.18929	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	199.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.4
53.03946	1.7
55.01873	1.1
55.05507	0.8
57.07077	0.7
57.60749	0.2
57.93553	0.2
65.03943	2.7
67.05500	2.4
69.03474	0.3
69.07061	0.5
70.96630	0.3
74.09713	0.6
77.03931	3.7
79.05508	0.4
81.03393	0.6
81.07054	0.3
83.08607	0.9
86.87983	0.3
93.03412	1.4
95.04967	25.8
97.02907	1.5
98.10429	0.3
98.97585	3.1
100.07603	0.3
105.04517	4.9
108.02083	0.3
109.06513	0.4
110.03654	1.3
111.04442	1.2
116.97214	2.2
116.98582	1.3
120.02022	0.6
121.02859	2.0
121.04012	0.3
123.04430	14.4
125.02356	12.6
125.03037	0.2
131.99544	0.8
134.95880	0.5
134.99640	0.4
137.02269	0.3
139.03893	0.7
139.07558	0.3
140.04681	100.0
141.05032	0.7
148.01530	0.3
149.02322	0.5
149.03424	0.3
152.96947	0.5
153.05475	0.3
155.07027	16.7
157.97519	0.4
166.02592	0.4
167.03371	1.5
167.06970	0.3
173.08139	1.3
175.98514	1.8
176.02232	0.5
181.04959	4.0
198.18532	11.2
198.99214	0.3
199.06007	1.9
199.18924	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	199.0715
Annotation	Clavaminic acid
Peak:m/z	Relative Intensity
52.01901	0.3
53.03943	0.8
55.01875	1.0
56.22150	0.3
63.02375	0.6
65.03954	1.5
67.01865	1.7
68.01385	1.3
68.05007	0.4
69.07076	0.4
69.59177	0.3
71.25051	0.4
73.28061	0.3
78.03457	0.7
80.05018	9.6
81.03410	1.7
83.01342	0.7
90.03448	0.9
92.05042	0.5
96.04489	1.4
97.02339	0.3
97.02893	1.1
98.97588	1.1
100.07597	0.3
106.02898	1.3
107.01279	0.3
108.04478	4.8
109.02882	0.5
110.03674	2.7
110.06053	0.3
113.81690	0.3
116.97219	0.4
116.98607	0.5
118.02885	0.6
119.03693	0.5
123.04399	1.6
124.03958	2.9
124.05215	1.0
125.04728	1.5
127.53262	0.3
134.53763	0.3
136.03943	8.4
136.05188	11.8
137.02380	0.7
137.03598	0.5
137.04709	8.8
138.05428	0.4
140.03429	3.6
147.03195	0.4
150.03120	0.3
152.03456	0.7
152.04666	0.5
164.03433	7.3
165.04231	3.1
170.04514	0.4
175.98518	0.3
182.04486	100.0
183.04791	0.9
198.18539	3.8
199.07130	5.1
199.18848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0965
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
55.01862	1.9
55.05500	2.3
56.96556	1.1
57.07063	1.0
57.93563	0.8
65.03924	1.5
67.05505	4.4
67.21743	0.6
69.03420	2.5
69.07072	2.4
70.03368	1.8
71.04982	0.9
72.04495	0.8
74.09732	4.2
78.89520	0.5
79.05496	17.2
81.07062	4.7
83.04973	0.7
83.08611	2.0
87.57564	0.5
91.04935	1.3
91.05481	19.2
93.07041	2.4
95.04974	0.9
97.02893	2.5
97.06536	6.1
97.10152	0.9
98.23549	0.6
98.97579	17.9
99.04461	2.7
100.07612	1.2
102.59455	0.6
105.07031	10.0
107.04981	3.6
107.05587	0.7
107.08592	61.5
108.08942	0.7
109.06510	4.5
109.10138	3.7
111.04427	2.1
115.05468	8.6
116.97276	5.0
116.98613	11.1
117.07021	11.7
119.06049	4.6
123.04397	1.0
125.09618	5.3
131.99573	1.6
133.06519	0.6
134.95876	0.9
134.99646	4.6
135.08052	100.0
136.08452	0.8
152.96928	1.0
153.09132	3.6
157.97501	1.1
158.01260	1.2
163.07542	22.4
163.08887	1.5
175.98521	5.5
176.02284	3.5
181.08521	1.8
182.04501	3.2
198.18526	14.1
198.20287	0.9
199.18909	19.7
217.01398	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.2011
Annotation	Halaminol B
Peak:m/z	Relative Intensity
53.17664	0.4
55.05260	0.6
55.05512	10.3
56.05028	2.6
57.03438	6.3
57.06857	0.5
57.07081	5.6
58.06604	3.6
58.80875	0.5
58.97601	0.5
60.04522	0.9
67.05161	0.6
67.05502	8.3
69.07070	17.8
69.20570	0.8
69.20979	1.7
70.06236	0.7
70.06594	13.4
71.04990	5.1
71.08623	2.1
74.06059	1.1
76.67509	0.4
79.05476	1.3
81.07059	15.7
83.08618	12.0
84.08163	3.4
84.08568	0.6
85.06564	1.2
86.09720	0.5
88.07603	0.9
94.01537	0.5
95.08607	15.8
97.10179	1.5
98.09672	0.7
98.97590	5.8
99.92448	0.5
99.96291	0.4
100.11236	0.8
102.09186	1.9
103.09023	0.5
109.10155	10.6
112.11263	0.5
116.10718	0.6
116.98599	2.5
123.11703	1.7
134.99670	0.6
142.15909	1.3
165.16364	1.5
177.98167	0.6
182.19051	29.0
200.20100	100.0
201.20396	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.9966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	0.6
59.93109	11.7
70.58040	0.7
74.09721	0.7
74.95444	1.2
76.93362	0.7
77.94150	7.8
78.58177	0.5
88.33543	0.4
95.95200	3.8
97.44601	0.4
98.97588	5.9
99.97929	2.1
100.95712	3.9
100.97203	1.6
100.98016	0.9
115.98026	1.2
116.97254	1.0
116.98640	4.0
117.96014	0.6
117.98960	1.6
118.96761	100.0
119.01884	0.7
123.05480	0.6
123.07993	0.5
128.96286	1.0
133.99091	24.1
134.99628	1.6
135.99989	0.6
136.95407	13.9
141.98355	4.0
142.03462	1.3
142.04793	0.4
150.95712	1.9
154.96460	28.5
157.00693	1.1
159.96996	10.4
160.04555	2.3
172.97522	3.7
177.98058	76.3
178.05608	0.9
178.98315	0.7
183.88869	0.6
195.99115	1.4
200.19104	1.4
200.99680	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	201.1275
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
56.96563	0.8
59.93126	1.7
64.97823	0.7
67.05502	3.0
69.03427	1.7
69.07066	1.1
72.30627	0.7
77.94162	1.5
79.05514	1.4
81.07053	4.5
89.54903	0.9
91.05471	8.1
93.07043	4.8
95.04969	1.1
95.08602	1.8
95.95211	1.2
98.97576	3.7
99.97934	2.2
100.95739	1.6
101.80981	0.7
105.07021	9.0
107.08602	2.3
109.06506	1.2
115.05416	1.4
116.06288	1.5
116.98627	4.2
117.07040	4.0
117.98979	1.6
118.96764	20.8
118.98096	0.8
118.98982	1.0
119.08577	15.0
121.06496	2.2
123.08066	1.2
128.06218	3.6
129.06995	5.8
130.07787	1.9
130.78665	0.8
131.08568	26.0
133.10136	35.8
133.11153	1.8
133.99101	5.3
134.99672	1.9
135.99985	1.1
136.95355	1.8
141.06989	2.5
141.98335	1.0
142.07764	2.0
143.08557	23.1
144.09343	7.5
145.06470	2.3
145.10121	27.9
146.07320	1.1
153.06995	1.6
154.96455	8.8
155.08548	3.7
156.09351	2.0
157.10139	6.0
158.07249	3.0
158.10918	36.8
159.08054	10.1
159.11697	9.9
159.97006	1.8
160.04573	1.0
160.08945	1.1
168.09328	3.2
171.08058	8.0
171.11668	1.7
172.08797	11.0
172.97525	1.2
173.09700	11.2
173.13258	100.0
174.13570	1.7
177.98058	19.6
183.11710	4.6
185.09654	1.3
186.10394	38.8
190.49083	0.9
200.99725	1.5
201.12743	92.5
201.16264	5.5
201.20436	4.0
202.13182	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00842	0.3
56.96568	0.5
59.93105	0.8
64.50988	0.3
67.05519	0.6
69.07068	5.1
71.08629	12.2
71.46445	0.3
77.94137	0.4
81.07040	0.9
81.24201	0.4
84.08084	0.3
86.09703	100.0
91.05450	0.5
93.07052	0.5
95.08597	0.9
95.95158	0.3
97.06526	0.6
98.97572	3.0
99.08092	10.2
99.97925	1.4
100.97227	0.4
103.12340	6.4
105.06996	0.5
108.37018	0.4
109.10168	0.4
116.10730	2.1
116.98605	2.5
117.98978	1.2
118.96764	6.2
119.08606	0.7
123.05576	0.3
128.10706	3.1
131.08580	0.8
132.08086	0.6
133.54677	0.3
133.99086	2.1
134.99673	1.9
135.99997	1.2
136.95398	0.6
137.09560	0.4
139.07735	0.3
145.06487	0.3
145.10207	0.5
146.11807	0.4
154.96477	2.1
155.10373	0.3
159.00090	0.4
159.09172	1.6
159.97011	0.7
160.04532	0.6
168.09105	0.3
173.09602	0.5
177.98073	5.8
183.11682	0.3
184.16959	23.4
201.05333	0.4
201.12726	1.4
201.19612	45.7
202.19878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.0
62.06084	2.2
66.85669	0.9
67.05492	1.2
69.07015	1.0
69.77505	2.8
70.06595	24.3
71.05000	1.7
71.06123	8.5
81.07040	2.5
82.99856	2.2
84.08120	2.2
85.06555	1.0
86.06085	1.3
86.09719	8.4
88.08763	6.4
93.07039	1.7
95.04994	0.9
98.97580	1.4
100.02493	2.6
100.97208	0.8
101.00229	1.7
101.00887	33.2
102.00960	2.7
102.09176	3.9
103.32787	1.0
107.08588	3.4
111.05582	1.0
112.03786	1.0
114.05533	6.7
116.07109	4.8
116.98646	1.1
118.03522	2.4
119.01928	100.0
120.01311	0.8
120.01977	5.3
121.01618	1.0
121.10152	1.0
124.02445	4.1
132.01990	0.9
133.01659	1.5
137.02975	20.0
138.03201	0.9
140.14336	1.0
142.03506	44.0
143.01875	2.1
149.09622	2.2
156.03233	1.3
156.11328	1.3
156.97527	1.2
158.12891	5.4
160.04573	29.4
161.01595	1.9
161.02959	29.8
161.04494	1.9
161.04805	2.1
178.05600	5.7
179.02492	1.4
179.04012	39.4
180.04152	1.0
184.04485	1.7
184.13350	2.0
192.04272	0.8
202.02568	1.8
202.05623	3.0
202.07314	1.1
202.11852	3.0
202.14378	9.4
202.18034	3.7
203.15094	7.4
220.01985	1.2
220.03874	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	202.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62326	0.4
82.01456	1.1
82.99844	2.1
88.95954	0.4
95.96423	0.5
100.02493	4.4
100.97177	0.8
101.00879	28.6
101.04259	0.4
102.00936	0.5
116.98602	0.6
118.03518	3.4
119.01919	100.0
120.02020	2.1
121.94529	0.5
124.02461	3.8
126.53304	0.5
131.01700	0.4
136.04588	1.0
137.02959	26.2
142.03500	46.3
143.01897	0.6
143.03622	1.6
160.04561	28.6
161.02963	24.3
161.04454	1.8
165.05064	0.7
178.00969	0.8
178.05602	7.4
179.04013	42.7
179.05542	1.9
179.98047	1.3
180.04231	0.8
183.06340	0.5
184.04573	1.5
197.99123	2.7
200.15303	0.5
202.05600	1.3
215.35083	0.4
220.02065	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	202.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99463	0.7
55.01867	1.0
56.96548	1.7
57.03432	3.0
58.64356	0.7
59.04996	2.2
61.86378	0.7
62.06087	1.2
62.83076	0.7
66.53231	0.7
68.05039	1.0
69.03434	2.6
69.77184	3.1
70.06596	100.0
71.05000	30.9
71.06120	70.8
71.06438	1.0
71.06532	1.4
73.19675	0.8
84.08117	2.3
86.06065	2.2
88.07632	13.8
88.08770	9.4
92.14155	0.8
98.22765	1.7
98.97578	2.3
101.00889	5.1
102.09184	3.7
114.05557	4.0
115.03930	2.6
119.01925	9.0
124.02477	1.0
128.10704	1.0
135.48489	0.8
137.02937	2.2
140.11818	5.2
142.03476	5.0
143.01859	0.9
152.07054	2.5
158.12892	14.0
160.04581	3.6
161.02951	3.5
171.02846	1.5
174.12387	2.6
179.04022	3.5
184.09483	1.3
202.11880	68.7
202.18011	4.6
203.15067	1.3
210.10753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1804
Annotation	11-Aminoundecanoic acid
Peak:m/z	Relative Intensity
54.44809	0.7
55.01864	0.7
55.05517	4.5
67.05504	1.1
69.07073	7.0
69.29996	3.6
70.06584	0.7
72.04517	100.0
79.05511	1.2
81.07059	2.0
83.04998	1.5
84.08157	4.2
88.07674	0.6
93.07054	1.9
95.08599	1.5
97.10178	3.3
98.22758	1.0
100.07625	2.5
111.11760	0.9
112.11241	2.1
114.09174	9.8
118.96786	1.3
121.10156	1.6
128.10712	7.1
129.13898	0.7
139.11200	1.7
142.12306	1.6
146.10478	0.8
178.98300	1.9
179.97835	1.3
184.16960	44.5
202.18040	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.9974
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80792	0.5
59.50071	0.5
64.86912	0.6
67.37393	0.5
82.01444	16.5
82.99861	1.6
83.99937	1.0
84.08114	0.6
95.07301	0.5
98.97574	0.8
100.02487	38.2
101.00882	31.3
101.97144	0.6
102.00945	10.1
102.96874	2.4
103.00646	2.1
110.95657	0.6
118.03529	11.9
119.01923	100.0
120.02010	32.3
120.03101	1.1
120.95383	1.3
120.97907	1.8
121.01661	6.1
125.02538	1.5
131.01888	1.2
133.03458	1.2
137.02960	25.6
138.03044	7.3
138.96402	6.7
139.02704	1.2
142.03502	4.9
143.01926	1.2
143.02458	0.9
143.03624	15.6
144.03214	4.1
145.03470	1.1
156.97493	26.8
157.03445	1.1
160.04559	2.9
160.99742	0.7
161.02969	18.3
161.04669	10.5
161.98038	2.4
162.03085	9.4
162.04340	5.4
163.02815	0.7
163.04601	0.5
174.98541	13.4
175.04561	2.5
178.05598	0.6
179.00755	3.1
179.02396	1.0
179.04027	24.4
179.05701	2.3
179.97871	6.0
179.99310	27.5
180.04106	15.7
181.03789	1.1
185.04707	0.7
197.99202	21.6
198.00255	9.3
203.00569	0.7
203.04036	1.3
207.76485	0.6
221.01811	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	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.7
55.05506	2.2
57.03437	1.8
59.04988	1.3
63.85670	1.3
70.06593	100.0
70.41383	2.9
71.04996	5.4
71.06116	29.4
71.06891	1.2
72.08150	8.0
77.88379	1.3
85.02903	1.3
87.98063	1.3
88.08755	39.1
94.92987	2.0
98.22820	1.6
100.07611	3.2
115.08661	6.1
116.06281	2.9
116.07093	50.3
119.01943	3.2
126.10269	1.3
127.29753	1.4
133.09737	4.2
144.10214	3.3
153.10207	3.0
158.09271	5.7
158.12881	31.9
161.02989	2.7
171.02869	1.8
172.10831	6.2
179.99019	2.5
185.09209	1.6
188.67134	1.3
202.89085	1.5
203.05264	95.4
203.10265	4.6
203.15054	93.0
204.13475	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	203.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53787	0.7
66.19305	0.8
70.06590	10.7
71.06108	2.9
71.38866	0.7
88.08751	3.3
91.69179	0.8
94.92997	0.9
112.11208	1.1
115.08672	0.7
116.07103	5.5
131.69057	0.7
158.12886	2.6
203.05263	100.0
203.15054	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	203.1393
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
55.93525	1.0
56.05026	3.4
56.96569	1.1
57.07076	26.4
70.06595	12.4
70.83279	1.4
71.05008	0.9
71.06129	2.8
72.08167	2.9
74.09718	100.0
82.01458	1.3
83.06117	1.8
84.04505	94.9
84.08128	1.1
85.02908	4.7
88.08739	4.5
97.10171	0.9
100.02460	3.4
102.05561	5.8
102.96873	2.1
112.11284	3.6
116.07107	4.1
116.47746	0.8
118.03506	1.7
119.01885	4.0
120.02043	1.8
120.96517	5.4
120.97922	2.3
126.09191	0.7
127.39752	0.7
129.13887	2.8
130.05005	39.3
135.98878	1.5
137.02989	0.9
137.99210	0.9
138.95215	0.8
138.99031	0.9
140.10611	0.8
143.03484	0.8
156.25420	1.0
156.87206	0.8
156.96223	1.6
157.13365	22.2
158.12914	3.3
161.02957	1.5
179.96523	0.6
179.97769	4.6
180.04445	2.1
181.02815	1.3
185.12848	1.3
186.11253	78.2
197.99063	4.2
203.05270	15.0
203.13632	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	0.7
55.01862	0.9
57.03432	2.3
59.04998	1.2
70.06593	100.0
71.05002	3.5
71.06113	26.1
71.06917	1.1
72.08160	6.6
73.02917	2.8
82.99869	0.7
85.02905	0.9
86.09708	2.4
88.08753	37.2
97.07670	0.6
98.06076	1.1
100.07632	1.5
101.00878	9.9
112.08752	1.2
113.07053	0.7
115.02613	0.6
115.08691	6.3
116.07093	43.1
119.01929	12.6
120.01987	0.9
131.01869	1.6
133.09737	4.1
137.02895	1.4
143.01917	8.5
155.01955	0.9
157.03442	1.4
158.09274	7.0
158.12886	30.4
161.02959	19.4
171.02983	0.8
172.10846	3.4
173.02965	1.8
179.03992	0.8
179.99030	0.7
185.02982	1.4
186.12341	0.9
203.03815	1.0
203.05316	12.4
203.15041	82.1
204.13513	3.8
204.15173	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1505
Annotation	SDMA
Peak:m/z	Relative Intensity
55.01875	3.9
57.03439	13.8
57.04560	0.8
59.05005	8.6
69.04997	0.7
70.06593	100.0
71.05006	5.6
71.06116	32.0
71.06932	3.1
72.06458	0.9
72.08150	8.7
73.02914	1.1
74.02455	0.8
75.04484	1.0
85.02896	1.7
86.06062	1.2
86.09708	2.6
87.04482	2.3
88.07627	1.3
88.08755	41.5
89.02428	1.4
100.07576	1.8
101.00886	5.5
102.05602	0.8
112.08750	1.7
114.05508	1.1
115.08700	5.6
116.07092	48.1
119.01938	10.5
120.02011	0.8
121.01694	0.7
131.01918	1.6
133.09729	4.4
134.08130	0.7
137.02962	1.4
141.01753	1.0
143.01904	5.8
143.02916	0.7
143.03447	0.9
144.06584	1.2
158.09279	5.9
158.12894	25.3
161.02953	19.2
171.02881	8.4
172.10780	7.0
173.02975	0.8
175.04599	0.7
176.64650	0.7
191.04156	0.7
203.05321	19.5
203.12007	2.9
203.15039	95.7
204.13492	7.0
204.15318	1.1
214.19339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
50.28833	1.2
53.06721	1.1
54.66146	1.1
54.77953	1.6
55.05511	7.3
57.07061	3.5
61.92939	1.2
67.05502	13.7
69.07066	13.7
70.63094	2.6
79.05499	22.1
81.07060	31.8
82.01460	1.9
83.08615	3.6
83.12373	1.3
91.05479	29.7
93.07049	30.9
95.04963	1.3
95.08015	2.3
95.08604	29.8
97.10159	1.7
100.02473	3.6
102.96842	3.7
105.07033	65.4
107.08598	27.5
109.10152	21.0
116.07074	1.4
117.07008	3.3
119.08584	42.0
120.96526	5.6
120.97901	3.9
121.10146	53.7
123.08057	1.6
123.11699	9.2
131.08527	2.4
133.10136	32.0
135.11670	4.6
138.98973	2.1
139.53337	1.1
145.10118	5.6
147.11687	100.0
159.11763	2.2
160.12494	3.1
161.13266	16.4
175.14796	4.0
179.97815	3.5
197.78905	1.2
197.99191	3.7
203.14456	2.9
203.17947	58.7
204.18274	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	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03932	0.8
55.05503	4.9
57.07066	2.3
58.07410	0.8
62.06071	2.3
63.04320	0.7
67.05509	13.7
69.07063	4.6
69.14571	4.2
71.08624	0.9
79.05502	6.4
81.07054	32.5
83.08624	1.3
86.53577	0.6
90.56093	0.7
91.05482	8.9
93.07040	15.9
95.08608	54.1
97.10153	0.9
100.02494	1.7
102.96848	2.6
105.07027	31.7
107.08593	30.5
109.10156	32.7
119.08584	23.2
120.96535	3.6
120.97896	1.4
121.10143	11.2
121.96620	0.8
123.11708	7.3
131.08545	1.0
133.10121	16.4
135.11682	2.5
145.10110	2.0
147.11687	42.8
148.12292	1.0
156.96205	1.1
159.11713	2.0
159.27495	0.7
160.12477	1.4
161.13268	12.5
175.14813	5.9
179.97972	3.4
180.01636	0.9
185.20934	2.0
197.99136	1.3
202.68608	0.7
203.05202	0.8
203.08362	0.8
203.17957	100.0
203.21979	23.8
204.18237	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03944	0.9
54.11184	0.6
55.05512	11.8
57.07064	2.1
66.35266	0.7
67.05505	31.5
68.99776	1.4
69.07067	23.8
69.81541	2.3
79.05485	8.6
81.07055	46.2
82.01430	0.8
83.08610	6.1
91.05479	15.5
93.07045	17.8
95.04950	0.8
95.08605	67.2
97.10159	2.0
97.54922	0.6
100.02475	1.6
102.96870	1.9
103.05476	0.9
105.01849	1.6
105.07029	62.5
107.08594	29.4
107.09341	0.9
109.06500	1.1
109.10154	72.2
110.10484	0.6
115.05439	0.9
117.07043	2.6
118.03516	1.1
119.08578	61.3
120.96554	4.8
120.97856	1.8
121.09266	1.2
121.10143	23.6
122.93010	0.7
123.11703	9.4
129.01833	1.2
131.08546	3.0
133.04974	2.2
133.10124	42.9
135.11688	9.6
145.10141	7.5
147.11679	81.3
148.12309	1.1
149.13260	0.8
157.04912	3.6
159.11679	2.2
160.12489	3.9
161.09584	0.9
161.13268	24.9
162.95129	0.8
169.92270	0.7
175.14824	9.8
179.97816	3.2
180.01538	0.9
203.17949	100.0
204.18262	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1797
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
51.52549	2.1
51.64208	2.2
55.05495	7.3
58.06550	2.7
67.05500	27.1
69.07067	21.7
69.34924	4.2
69.35331	9.0
79.05486	8.8
81.07057	46.2
82.01408	3.5
83.08630	5.4
91.05494	11.7
93.07042	19.1
95.08611	62.6
98.23415	5.1
100.02505	7.1
102.96860	8.3
105.07029	50.8
107.08604	25.3
109.10159	69.4
112.16620	2.7
117.07025	3.9
118.03529	3.5
119.08588	50.9
120.96522	18.5
120.97903	6.6
121.10136	20.5
121.96656	2.7
123.11705	8.5
131.08621	4.8
133.10146	38.6
135.11676	7.6
135.98854	4.6
138.98964	2.3
145.10117	4.4
147.11688	68.4
156.96222	4.3
161.13277	22.6
171.41760	2.3
175.14778	7.5
179.97806	19.4
179.99133	2.1
197.99088	2.9
202.99496	3.0
203.05144	3.6
203.14340	7.8
203.17958	100.0
203.19868	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	204.1345
Annotation	Glycyllysine
Peak:m/z	Relative Intensity
50.50070	0.6
57.04551	1.4
58.87628	0.6
60.08158	0.6
70.06602	5.2
70.82243	0.9
71.04993	23.1
71.06114	14.7
71.06927	2.6
72.08159	0.6
84.04490	0.7
85.02897	5.5
88.07645	1.3
88.08762	5.4
89.09065	0.9
94.93016	29.3
98.06055	0.7
99.04454	1.6
109.91725	0.9
116.07099	2.1
117.05501	2.5
117.07435	1.4
126.05533	0.6
134.08134	8.8
135.99025	0.5
138.05486	1.5
144.74864	0.6
145.04927	0.6
149.02354	2.0
158.12895	41.2
159.13240	1.5
162.30130	0.7
204.05688	1.6
204.13451	100.0
204.87045	1.8
205.13725	0.9
205.65765	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1384
Annotation	(-)-Aphanorphine
Peak:m/z	Relative Intensity
52.18229	0.4
53.03949	0.9
55.01874	7.9
55.05508	1.6
56.05016	0.6
58.90289	0.5
67.05511	9.1
68.05031	2.6
68.64651	0.4
68.65025	0.5
69.05807	0.6
69.07073	2.7
70.02943	0.5
70.06603	3.4
70.14857	0.5
78.90910	0.5
79.05493	16.1
80.05018	2.1
81.03421	0.8
81.07059	10.9
82.06583	1.5
84.04494	1.5
84.08122	1.6
84.15089	0.6
86.06062	0.7
91.05488	8.5
93.05783	0.8
93.07044	17.5
94.05981	1.0
94.06561	13.1
95.04983	3.3
95.08611	2.6
96.08113	2.9
98.06046	1.7
102.96861	1.2
105.07014	2.7
106.06561	2.3
107.04955	5.4
107.08596	5.6
108.04504	0.7
108.08121	2.2
109.05254	0.8
109.06515	2.5
110.06025	1.0
110.09656	0.7
112.07620	5.1
116.77888	0.5
117.07017	2.0
118.06547	2.3
119.07308	0.7
119.08591	4.7
120.04522	1.2
120.08100	11.9
120.08804	0.5
120.97862	1.0
121.06474	1.3
121.96611	1.4
122.06029	13.4
122.09659	0.9
131.08536	0.9
132.08084	1.1
133.08865	1.8
133.10081	1.4
134.06010	1.0
134.09641	2.6
135.08070	3.6
135.11676	1.4
136.06581	1.1
136.07581	17.5
138.05544	0.6
138.98924	0.7
143.08533	0.5
144.08073	0.6
146.09650	1.8
147.10475	0.7
147.11638	0.7
148.07576	13.6
148.11214	1.6
149.02327	2.9
149.08379	3.9
150.09088	0.7
158.09651	0.8
159.11664	0.6
160.07603	1.1
160.11176	1.5
161.08354	0.9
162.09143	2.0
162.12830	0.8
170.09653	0.7
171.10477	0.6
174.09058	0.8
174.12781	2.3
175.09926	1.0
176.14345	9.0
184.11273	0.7
186.12779	6.2
204.13834	100.0
205.14194	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1596
Annotation	L-2-amino-8-hydroxydecanoate
Peak:m/z	Relative Intensity
52.93864	1.3
55.01867	1.1
55.05511	12.0
57.03421	7.3
57.07072	2.8
58.06588	4.7
58.52914	1.0
67.05503	22.1
69.07067	20.0
70.06593	34.1
71.04985	4.5
72.04519	1.4
79.05466	3.7
81.07056	34.6
82.06557	2.6
83.04994	2.1
83.08627	7.8
84.08126	2.3
85.06532	3.4
91.05477	5.6
93.07052	7.1
95.08588	4.2
98.09716	1.3
99.04440	1.5
102.96906	1.1
105.07014	8.9
107.08588	8.8
109.06518	1.9
109.10160	22.7
111.08103	1.6
113.05979	2.3
115.79050	1.1
123.11709	35.2
127.07536	1.4
127.08444	1.4
133.10124	22.9
140.14348	1.9
140.78764	1.1
141.82742	1.1
149.02335	1.4
150.12819	2.5
151.11171	18.3
158.12982	1.4
168.13835	85.2
169.12236	6.2
169.13974	1.4
186.14891	100.0
187.13301	2.5
204.13950	2.5
204.15948	49.9
211.82811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59019	0.4
55.72127	0.4
57.07072	1.0
65.03958	0.5
69.55382	2.2
74.02437	1.6
89.46108	0.4
90.81154	0.5
91.05470	1.3
93.58683	0.5
98.22746	0.9
99.14622	0.4
115.05447	2.1
117.05759	1.1
117.07021	2.4
118.06544	37.2
130.06540	3.1
132.08090	10.2
142.06520	4.0
143.07304	5.3
144.04413	1.0
144.06935	1.0
144.08075	20.3
146.06006	100.0
147.06349	1.1
149.02338	6.5
159.09190	8.7
160.07584	1.1
170.06007	7.0
172.50339	0.5
188.07065	98.6
189.07391	1.0
205.09686	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
57.07084	0.5
70.35601	0.4
70.35936	0.6
73.42699	0.3
74.02435	1.4
82.35854	0.4
86.86031	0.4
91.05485	1.4
97.53011	0.4
108.82954	0.4
109.02845	0.5
115.05452	2.2
117.05725	1.3
117.06997	2.2
118.06544	38.9
121.02890	0.7
127.05556	0.4
130.06531	3.0
132.08089	11.2
140.99339	0.4
142.06500	3.0
143.07301	6.1
144.04408	1.0
144.08087	22.5
146.06006	100.0
147.06303	0.8
149.02338	6.3
155.06046	0.6
159.09184	9.8
160.07599	1.5
170.06007	7.3
188.07066	90.6
189.07407	1.0
205.09700	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
56.96565	2.9
57.07077	6.2
59.37854	0.9
65.03931	2.8
69.03422	1.3
71.06137	1.6
74.97801	0.9
77.14923	0.9
78.95251	1.6
91.05472	10.4
93.07043	43.5
95.04967	3.5
97.02873	1.6
105.04517	1.4
105.07030	3.0
107.08574	1.9
109.02831	2.3
117.06976	1.7
119.08587	2.0
119.97934	2.4
121.02880	7.1
121.06499	100.0
121.10126	1.3
131.02684	1.0
131.08563	2.0
135.10004	1.1
144.09314	2.9
145.06459	2.7
145.10162	2.3
146.06076	1.6
149.02335	56.8
159.08055	1.0
159.11656	7.4
163.11119	1.4
163.96822	3.0
173.06006	1.1
181.03963	1.3
181.97891	3.6
187.11169	5.2
187.14806	1.2
188.07063	2.2
205.10590	1.4
205.12245	24.5
205.14072	1.9
205.15930	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
68.09980	1.0
69.62148	3.7
78.95272	1.8
80.94940	1.7
82.99832	1.5
83.01505	1.7
84.01186	1.6
98.22589	1.5
100.02488	3.5
101.00883	22.7
101.02557	9.2
102.02245	7.1
103.02564	3.2
119.01920	51.7
119.03640	3.6
119.97968	1.7
120.01997	2.2
120.03281	4.0
121.01671	6.2
121.97578	2.3
122.01981	1.3
124.02472	6.5
137.02960	12.1
139.02721	2.2
140.95216	1.2
142.03503	100.0
143.03690	2.0
144.03250	3.3
149.02380	2.1
150.02689	7.1
160.04558	34.9
160.96025	2.7
163.96893	1.7
164.97163	1.5
165.05128	5.1
165.96547	3.5
181.97842	3.0
182.98093	2.7
183.06175	1.1
183.37624	1.1
183.97618	4.5
184.04526	2.4
188.88225	1.0
188.99266	1.4
191.49480	1.8
195.35390	1.1
199.98970	4.6
200.50041	3.4
200.98909	6.9
201.98509	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0815
Annotation	5-Methoxyindoleacetate
Peak:m/z	Relative Intensity
57.07071	0.3
67.05501	0.2
69.41621	1.1
70.02941	0.8
79.05494	0.3
79.54977	0.2
87.00825	1.8
88.02223	0.3
91.05476	2.3
93.07048	2.0
95.04983	0.4
95.08614	0.7
103.05473	12.0
116.05312	0.3
118.06544	17.3
119.01897	0.5
120.08105	100.0
121.02853	0.3
121.08434	0.8
123.08089	0.4
128.04968	1.3
142.03542	0.8
144.04482	0.6
146.06012	13.8
149.02348	1.0
150.02675	2.2
160.04517	0.3
160.07600	0.5
178.91051	0.3
188.05370	0.5
188.07069	10.8
191.14334	0.4
206.08147	6.8
206.11768	1.0
206.15329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.9459
Annotation	Unknow
Peak:m/z	Relative Intensity
70.10000	16.5
75.51032	8.4
94.93024	100.0
98.23441	8.2
104.10747	24.6
141.26862	7.8
165.96567	12.2
182.24142	7.6
183.97585	12.0
185.38722	8.7
198.06032	9.5
205.28879	9.2
206.94583	58.0
207.01457	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	207.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.38109	0.8
55.01869	6.3
55.05508	2.3
57.03435	6.0
58.06625	1.1
59.04995	3.0
59.77760	0.8
61.02923	7.7
65.92614	1.4
69.03418	1.9
70.06594	1.7
71.01353	4.7
71.04994	3.7
71.45424	0.9
73.02917	30.5
73.04202	0.9
75.04456	2.6
75.59886	1.0
77.81010	0.9
80.05028	1.6
80.94967	8.8
81.03405	1.1
83.01337	25.1
83.04946	1.5
84.02116	1.9
84.08147	4.4
85.02905	11.6
87.00830	8.8
87.04462	16.8
87.73518	0.8
88.07638	1.2
89.02380	1.7
91.03954	3.2
94.01807	1.0
94.06556	1.2
94.93069	0.9
95.01328	75.9
95.08601	1.5
99.04465	2.4
101.02378	100.0
103.00253	1.7
103.03938	4.6
106.06591	1.1
111.00798	9.7
113.02325	2.3
115.03925	17.9
116.98600	1.5
117.01837	1.6
119.03404	5.2
120.01975	1.3
121.97595	8.6
124.07583	7.0
124.93874	1.9
127.03915	51.7
129.01823	5.6
130.06531	2.0
132.08080	2.0
133.04953	3.0
135.02875	1.6
142.94934	3.1
143.03395	26.9
147.02879	5.8
150.09143	2.8
157.01311	1.5
159.18925	0.9
160.95999	5.2
161.03090	2.1
161.04472	8.5
162.05492	1.3
163.12262	1.3
164.10796	1.6
165.03935	1.1
165.96548	8.4
175.02350	6.6
183.30565	0.9
183.97586	10.0
184.04550	5.7
189.00468	1.5
189.03938	3.2
189.10278	1.7
190.10603	1.0
190.12195	1.0
191.11746	4.6
202.05725	1.4
207.11310	7.3
207.13237	2.2
207.14990	12.1
207.17050	1.3
209.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.05
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
53.03939	1.0
53.38109	0.8
55.01869	6.3
55.05508	2.3
57.03435	6.0
58.06625	1.1
59.04995	3.0
59.77760	0.8
61.02923	7.7
65.92614	1.4
69.03418	1.9
70.06594	1.7
71.01353	4.7
71.04994	3.7
71.45424	0.9
73.02917	30.5
73.04202	0.9
75.04456	2.6
75.59886	1.0
77.81010	0.9
80.05028	1.6
80.94967	8.8
81.03405	1.1
83.01337	25.1
83.04946	1.5
84.02116	1.9
84.08147	4.4
85.02905	11.6
87.00830	8.8
87.04462	16.8
87.73518	0.8
88.07638	1.2
89.02380	1.7
91.03954	3.2
94.01807	1.0
94.06556	1.2
94.93069	0.9
95.01328	75.9
95.08601	1.5
99.04465	2.4
101.02378	100.0
103.00253	1.7
103.03938	4.6
106.06591	1.1
111.00798	9.7
113.02325	2.3
115.03925	17.9
116.98600	1.5
117.01837	1.6
119.03404	5.2
120.01975	1.3
121.97595	8.6
124.07583	7.0
124.93874	1.9
127.03915	51.7
129.01823	5.6
130.06531	2.0
132.08080	2.0
133.04953	3.0
135.02875	1.6
142.94934	3.1
143.03395	26.9
147.02879	5.8
150.09143	2.8
157.01311	1.5
159.18925	0.9
160.95999	5.2
161.03090	2.1
161.04472	8.5
162.05492	1.3
163.12262	1.3
164.10796	1.6
165.03935	1.1
165.96548	8.4
175.02350	6.6
183.30565	0.9
183.97586	10.0
184.04550	5.7
189.00468	1.5
189.03938	3.2
189.10278	1.7
190.10603	1.0
190.12195	1.0
191.11746	4.6
202.05725	1.4
207.11310	7.3
207.13237	2.2
207.14990	12.1
207.17050	1.3
209.27274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	p-Methoxycinnamic acid ethyl ester
Peak:m/z	Relative Intensity
51.02385	0.3
55.01871	0.3
55.05492	0.4
57.03427	0.2
57.07106	0.2
59.04987	0.3
59.32233	0.2
59.52678	0.2
65.03924	0.3
67.05493	0.6
68.99779	0.3
69.03422	0.6
69.07066	0.2
69.10136	1.4
71.04981	0.5
75.04457	0.3
79.05505	1.1
81.07062	3.2
85.02919	0.3
85.06534	0.6
89.74763	0.2
91.05482	4.8
93.07028	1.2
95.04958	1.2
95.08612	0.9
98.23469	0.4
99.04432	0.2
103.05478	1.2
104.06246	0.6
105.03396	0.3
105.04499	0.3
105.07025	4.4
106.04197	0.4
107.04933	1.1
107.08596	3.8
108.05726	0.3
109.06517	1.1
109.10140	0.4
115.05457	2.5
116.06236	0.5
117.07026	1.8
118.04168	0.8
119.04930	2.1
119.08579	1.8
121.06516	3.3
121.10147	1.0
123.04441	0.4
123.08062	1.9
123.11715	0.7
125.06021	0.2
128.06282	0.3
129.03371	1.4
130.04176	0.4
131.04942	2.6
131.08542	0.7
132.05710	1.5
133.02917	0.2
133.06490	12.5
133.10149	0.4
134.07253	0.3
135.04366	0.2
135.08073	0.5
136.05180	1.0
136.08778	0.3
137.05969	0.4
137.09654	0.2
138.06749	0.8
139.05789	0.2
139.07545	0.3
143.06087	0.3
144.05632	0.3
145.02824	0.2
145.06488	3.3
145.07596	0.4
145.10143	0.5
146.03616	0.6
146.07274	1.7
147.04384	2.4
147.08057	4.3
147.11676	2.0
148.08763	0.3
149.02394	1.6
149.05975	3.9
149.09615	2.4
151.07539	8.3
153.05472	0.2
156.09395	0.3
160.05241	1.6
161.05974	36.0
161.13237	0.5
162.06717	1.5
163.03867	0.6
163.07562	3.9
163.11154	0.3
164.04666	1.8
164.08357	1.3
165.12746	1.9
171.11737	0.6
174.06732	0.7
175.03935	0.5
175.07552	7.9
176.08322	100.0
177.05469	6.7
177.09091	6.2
178.06232	0.3
179.07066	1.9
179.10667	1.8
183.97383	0.2
189.09161	0.4
189.12802	1.6
191.07054	1.0
192.04205	0.7
192.07813	8.4
207.06549	4.6
207.10159	50.1
207.13797	4.1
208.10555	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1018
Annotation	Benzyl 2-methyl-3-oxobutanoate
Peak:m/z	Relative Intensity
53.03945	1.0
55.01877	1.0
63.73379	0.5
67.05502	1.6
68.74252	0.4
69.03442	3.6
69.44899	2.5
71.04996	20.8
79.05476	1.8
81.03405	1.1
81.07051	1.0
83.04986	1.1
85.02885	0.7
90.83279	0.5
91.05489	11.9
93.07052	3.4
95.04967	2.0
95.08601	0.7
97.02942	0.7
97.06541	0.7
98.74701	0.5
99.04459	100.0
100.04785	0.6
103.05455	0.9
105.03425	0.5
105.04517	0.5
105.07032	18.6
107.04984	1.3
107.08602	1.5
109.02932	0.6
109.06526	2.1
111.04446	1.2
111.08073	0.7
115.05447	1.1
117.07045	3.0
119.04115	0.5
119.04960	1.6
119.08587	15.8
121.06495	5.5
121.10149	0.7
121.97636	1.0
123.08070	1.4
128.06232	4.0
129.06985	1.7
131.08551	1.4
132.05695	0.9
133.06477	3.3
133.10133	17.1
135.08035	0.5
137.06020	0.6
137.09656	0.6
143.03633	0.5
143.08572	7.0
145.06483	1.6
145.10165	1.4
146.07265	7.5
147.04456	1.4
147.08055	18.5
147.11685	1.5
149.02333	1.2
149.09593	0.8
151.07593	0.8
159.08076	0.8
161.09624	44.7
163.03748	0.7
164.04706	1.9
164.68314	0.5
165.09117	0.9
165.96527	0.7
171.08099	1.5
174.06865	2.4
179.07065	1.8
179.10699	1.6
189.09117	8.0
189.12782	1.4
192.04066	0.6
207.06528	4.6
207.10097	4.5
207.11714	0.5
207.13847	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01871	4.3
55.05506	15.8
57.03445	4.0
57.07095	4.8
59.04995	8.2
61.09550	2.0
67.05510	21.1
69.03434	11.5
69.07071	10.7
69.68941	8.2
71.04969	5.0
71.11606	1.9
79.05489	20.0
80.17698	2.0
81.03426	2.9
81.07056	23.7
83.04984	9.5
85.02888	3.2
85.06532	3.5
86.69726	2.0
91.05477	27.2
93.07050	27.3
95.04961	13.5
95.08008	3.5
95.08596	29.3
97.06551	4.7
98.23383	4.0
105.07031	65.1
107.04971	5.8
107.08594	45.2
108.05718	2.5
109.06518	34.4
109.10155	24.9
111.04439	2.9
111.08083	6.4
117.06967	3.8
118.96967	2.2
119.04977	2.3
119.06115	4.4
119.08581	66.2
121.06509	9.8
121.10149	20.6
122.07286	4.3
123.08064	55.3
123.11711	7.0
125.09625	5.8
128.06244	2.2
129.07031	3.1
131.08504	4.6
133.06525	3.3
133.10123	22.6
135.08043	28.6
135.11661	11.6
137.06035	3.5
137.09608	100.0
137.13286	3.8
139.07590	6.5
143.08534	5.0
145.10133	6.7
147.08075	12.1
147.11679	56.0
149.09631	25.2
151.07518	11.7
153.09114	7.1
156.09351	8.6
159.11710	5.5
160.08800	2.3
161.09628	8.1
161.13237	41.4
163.11209	3.2
165.12811	7.1
171.11700	11.3
177.12849	4.7
179.14360	5.0
189.12755	30.8
207.13795	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.27604	2.1
55.01864	2.8
55.05505	5.5
57.07061	7.4
59.04993	2.2
65.03930	2.0
67.05483	9.8
69.03420	8.3
69.07072	5.3
69.42793	10.6
71.04976	6.6
71.95202	2.3
76.01751	2.2
77.82497	2.2
79.05499	16.9
81.07056	41.7
83.04967	7.3
83.08587	3.3
85.06561	15.7
85.45753	2.1
91.05476	29.0
93.07047	13.4
95.04974	34.2
95.08599	20.8
105.07031	32.9
107.04999	2.9
107.08594	100.0
109.06523	42.8
109.10166	3.7
111.08086	3.8
116.06307	3.4
117.07005	3.6
119.04943	11.4
119.06081	2.6
119.08579	31.9
120.81242	2.0
121.06544	12.3
121.10156	24.5
121.97594	2.8
122.07234	3.1
123.08068	53.4
123.11691	9.3
125.09628	5.3
129.06979	6.1
131.08577	23.7
133.06538	12.6
133.07436	2.8
133.10139	8.3
135.08022	3.7
136.08841	2.7
137.06000	2.9
137.09616	13.9
137.13193	3.8
143.08560	7.3
145.10123	12.6
147.04373	9.1
147.08058	15.0
147.11684	46.6
149.02339	6.1
149.08472	4.2
149.09621	62.2
151.07538	70.6
156.09300	8.2
160.08806	3.7
161.09628	3.9
161.13261	12.8
161.38646	2.1
163.11194	21.5
164.04698	8.4
165.09138	4.0
165.11525	2.3
165.12770	32.9
171.11627	11.4
171.29709	2.2
174.10350	4.5
175.03911	6.6
179.06935	7.0
189.09160	3.8
189.12753	82.3
192.04184	4.2
207.06499	22.5
207.09695	2.8
207.13802	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05516	4.4
57.07081	4.1
59.04998	1.8
65.03934	2.3
67.05508	27.7
69.03439	4.0
69.07065	2.0
69.19401	5.8
71.05009	2.0
77.03903	1.2
77.97982	1.2
79.05504	3.7
80.94994	1.7
81.07073	4.5
83.04995	1.6
83.08602	1.1
85.06553	10.7
87.00831	1.5
91.05468	6.0
93.07048	10.6
95.04978	3.8
95.08605	100.0
97.06573	1.1
103.05466	2.4
104.05816	4.4
105.03397	2.1
105.07043	12.3
107.04938	1.6
107.08598	14.2
109.06535	3.4
109.10139	2.0
113.06016	4.4
118.06535	2.2
119.04935	1.3
119.06880	6.1
119.08578	21.8
120.08109	15.1
121.06535	3.0
121.08447	38.6
121.10114	12.2
121.97590	2.3
123.08071	45.4
123.11717	5.4
131.08589	3.9
133.06531	1.5
133.10149	4.5
135.08119	2.1
135.11664	6.5
137.09612	2.9
137.13287	1.7
145.10120	1.9
146.05991	1.5
147.06374	6.1
147.08047	4.8
147.09076	1.4
147.11691	9.1
149.02361	1.4
149.09612	29.1
151.07591	1.7
151.14871	4.1
152.82852	1.3
156.09348	1.5
159.08194	1.6
160.96013	3.1
161.09680	2.1
161.13246	12.3
163.11226	1.8
165.09177	1.3
165.12764	8.3
165.96501	2.4
171.11736	3.8
174.10477	2.4
179.14395	2.5
183.97662	2.3
189.07454	6.2
189.12733	15.5
207.06537	1.5
207.08371	2.5
207.13773	21.9
207.15498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
52.52232	0.4
53.03954	0.6
55.05511	1.9
57.07079	1.9
65.03951	1.2
67.05503	4.2
69.03423	1.5
69.07063	1.5
69.16113	0.4
69.56319	0.6
69.56710	1.0
71.04995	0.9
73.12461	0.4
79.05491	2.9
81.07062	15.1
83.04990	1.0
83.08607	0.8
85.02907	100.0
85.06542	1.1
87.04461	0.5
91.05482	15.6
93.07044	5.0
93.82299	0.4
94.07801	0.4
95.04960	1.5
95.08608	4.5
103.05451	0.7
105.03361	0.4
105.07039	9.1
107.04981	0.7
107.08595	5.6
109.06508	2.3
109.10159	16.9
111.04440	1.7
117.07037	1.0
118.04163	1.3
119.04941	12.7
119.08591	9.5
121.02911	0.6
121.06488	1.3
121.10146	11.2
123.04428	0.5
123.08100	3.1
123.11709	64.8
124.12027	1.0
125.05989	11.0
129.03378	0.5
129.07001	0.5
130.07831	0.5
131.08580	2.6
132.02046	1.2
133.06487	0.7
133.10152	0.9
135.04419	0.9
137.05951	0.4
137.09579	0.7
139.07538	1.5
141.05486	1.5
143.00130	0.4
143.08565	0.6
145.02827	0.5
145.10120	4.2
146.03584	0.5
147.04408	9.4
147.08069	4.8
147.11684	11.4
149.02339	1.9
149.08479	0.8
149.09622	13.3
149.10820	0.6
151.07535	5.1
156.09360	2.1
157.03952	1.5
159.08014	0.9
160.08737	0.5
161.09653	0.7
161.13274	2.3
163.11227	1.6
164.04678	0.6
165.12750	2.8
169.08597	1.0
171.11710	2.6
174.10477	1.0
175.03905	15.0
177.01938	0.7
179.06998	1.8
179.14235	0.5
189.12740	8.4
189.14316	0.8
192.04178	5.4
207.06523	10.5
207.13803	48.0
208.14175	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1492
Annotation	Agrocybenine
Peak:m/z	Relative Intensity
53.03942	1.0
62.33249	0.4
65.03947	0.6
67.05499	1.6
69.03439	0.9
69.07079	1.5
69.36282	2.7
77.03947	1.0
77.99786	0.5
79.05482	1.9
80.94941	0.6
81.07050	1.0
81.12498	0.6
84.08150	0.8
86.09709	14.5
91.05489	6.5
95.04963	4.3
105.03391	100.0
105.07017	2.7
106.03725	0.8
117.06990	0.9
118.07096	0.5
119.04939	2.2
119.08585	4.2
121.06524	0.8
121.10209	0.6
121.97561	0.6
122.06018	1.9
128.06224	0.8
129.06981	2.2
134.06032	3.5
135.08156	0.5
137.05965	0.6
143.03766	0.5
143.08583	2.6
147.04433	2.5
147.08031	7.2
149.10727	0.8
160.96010	0.6
161.09584	1.0
165.12654	0.6
165.96561	1.0
175.01042	0.5
175.03909	2.8
183.97604	1.2
189.09091	1.0
190.12277	19.8
192.04144	0.9
207.06549	1.8
207.10229	1.8
207.14943	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	208.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31850	4.0
54.09784	4.7
58.24069	4.0
70.06583	10.0
70.91206	5.4
70.91568	3.9
72.87864	3.9
73.62558	4.2
74.19606	3.7
75.03064	4.7
94.06558	20.3
104.10741	31.9
122.06005	15.1
124.07597	20.0
130.06496	4.6
139.08707	4.4
141.26859	4.1
146.11707	6.0
163.12317	28.7
185.02940	7.5
191.11760	94.1
206.22076	4.6
206.45111	4.5
207.14894	5.6
207.99417	5.3
208.01363	100.0
208.03189	5.9
208.14229	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	208.9728
Annotation	Unknow
Peak:m/z	Relative Intensity
67.15106	4.3
67.30676	4.2
85.42771	4.4
93.98107	4.1
94.93071	5.2
95.70737	4.1
111.11375	4.6
149.39383	4.1
187.39734	4.6
190.96164	6.0
191.94579	28.4
208.97252	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.9727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07099	2.6
51.68262	2.2
70.91718	3.6
77.25735	2.7
94.93014	6.4
167.96423	3.5
190.96188	12.2
191.10226	2.5
191.94588	25.6
206.97362	2.9
208.97256	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0809
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
51.92614	1.7
53.03955	3.0
55.01874	9.6
65.03936	11.4
67.05499	5.7
71.11971	2.3
75.04482	13.5
75.30396	1.5
77.03947	2.0
77.29663	1.6
77.82245	1.4
78.04704	13.0
79.05500	8.7
81.07072	5.2
85.02914	10.3
89.03934	4.6
89.06039	2.8
91.05473	41.2
93.03407	29.8
93.07050	16.1
95.04974	21.4
95.08585	2.0
97.06516	10.5
103.05470	19.4
105.04503	8.2
105.07038	4.5
106.04173	85.6
107.04947	4.7
107.08647	2.9
108.05754	2.7
109.06544	4.6
111.04393	2.4
117.03418	2.7
118.04190	2.8
119.04948	2.7
121.06506	77.7
121.10104	2.9
123.04431	5.3
123.08064	4.2
123.97512	1.9
125.05987	22.4
131.04936	5.4
131.05931	2.8
134.03648	11.6
135.04414	3.2
135.08060	3.0
137.05984	13.9
138.06761	5.3
139.07565	6.9
145.02863	2.6
147.04462	2.3
148.05182	6.4
149.05981	100.0
151.03929	2.4
151.07533	4.6
153.05450	4.7
153.09091	23.0
163.07544	5.7
163.97742	1.9
165.05476	2.9
166.06282	3.5
177.05484	37.0
181.08586	21.4
181.82007	1.7
191.06972	3.0
191.14319	2.8
209.08081	21.5
209.13556	2.2
209.15373	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02397	0.5
53.03955	1.3
55.01873	4.0
65.03954	0.8
67.05505	0.6
69.07095	0.6
69.22376	0.5
70.06601	0.5
71.05006	0.8
75.04485	0.5
76.33075	0.5
77.03937	1.0
78.04725	1.7
79.05511	1.6
81.07067	1.0
82.94563	1.2
85.02906	0.8
89.03911	5.0
91.05484	14.4
93.03429	1.5
93.07049	7.5
95.04968	4.9
95.08627	0.9
95.26297	0.4
97.06527	0.6
103.04776	0.8
103.05466	16.6
105.03400	0.5
105.04540	1.7
105.07080	0.7
106.04180	6.4
107.04948	6.1
107.08599	0.9
109.06564	1.3
111.04469	0.5
111.08150	0.5
115.75172	0.4
117.03382	6.2
118.04211	0.8
119.04950	5.9
119.08598	0.7
120.05807	0.5
121.06508	26.8
121.10162	0.5
125.05974	1.1
131.04930	24.0
132.05479	0.4
134.03644	7.7
134.04579	0.7
135.04427	3.3
137.05952	1.0
145.02858	5.9
147.04417	3.5
148.05193	3.0
149.05980	32.4
151.07558	0.4
153.05482	0.7
153.09149	1.6
159.04427	14.4
159.05510	0.6
162.03175	0.8
163.03885	4.0
163.07565	1.3
163.97726	1.1
166.06323	0.9
176.04715	1.0
177.05472	100.0
178.05908	0.5
181.08618	2.6
191.07027	1.5
191.14326	0.6
194.05782	1.7
209.08073	14.7
209.10030	0.8
209.13614	0.7
209.15340	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	209.0809
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
53.03942	2.9
55.01872	18.7
55.05508	14.0
57.03434	3.5
57.07056	2.3
59.63380	1.8
65.03939	10.9
67.05505	19.4
69.07059	8.4
71.04986	3.5
75.04487	8.9
77.03928	4.1
78.04704	13.5
79.05489	26.6
81.03404	2.8
81.07055	14.9
83.04992	5.8
83.08620	7.1
83.50125	1.9
84.08173	2.0
84.52329	2.2
85.02911	9.4
89.03912	5.7
89.06022	3.4
91.05478	48.0
93.03404	26.2
93.07042	48.0
95.04965	33.2
95.08607	30.3
97.06531	14.5
99.04509	3.1
103.05475	19.1
105.04510	8.4
105.07037	8.4
106.04172	86.9
107.04945	15.6
107.08583	20.5
109.06531	8.6
109.10138	3.6
111.04455	4.9
111.08085	2.7
117.03394	5.5
117.07015	6.3
119.04955	6.5
119.08571	6.5
121.06506	85.4
121.10133	9.5
122.03670	2.0
123.04447	4.1
123.08097	3.8
124.05241	3.5
125.05991	22.8
131.04080	1.9
131.04903	9.8
131.05956	1.9
133.10123	3.1
134.03641	15.3
135.04414	4.6
135.08034	3.6
135.11705	22.1
137.05980	10.9
138.06758	3.6
139.07530	5.8
145.02849	9.0
145.10112	17.3
148.05190	10.9
149.05978	100.0
149.13315	3.2
151.03835	2.7
151.07579	4.2
152.08276	2.7
153.05484	7.8
153.09096	23.5
159.04440	3.9
163.07545	6.2
163.11195	17.9
165.12761	10.9
166.06285	3.3
177.05467	63.0
181.08609	21.5
187.48915	2.5
191.07022	6.9
191.14328	3.6
191.56349	2.5
192.13914	5.9
209.08026	24.5
209.09720	2.4
209.13467	4.6
209.15424	9.5
210.19534	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03944	2.9
55.01873	7.7
55.05496	1.5
57.03453	1.1
61.02911	1.3
65.03949	10.6
67.05497	6.4
67.20530	1.1
69.03442	3.0
69.07060	1.6
70.01155	3.1
71.04970	1.4
75.04488	9.3
77.03934	3.5
78.04714	12.8
79.05504	9.2
80.78858	1.0
81.03432	1.4
81.07047	5.8
83.04963	1.3
85.02914	8.2
85.06565	1.9
85.77317	1.1
89.03941	5.6
89.06042	2.2
91.05480	43.5
93.03413	31.9
93.07040	18.8
94.04169	1.4
95.04971	19.1
95.08614	3.4
97.06537	11.2
103.05455	17.9
105.03375	3.3
105.04513	6.3
105.07025	3.1
106.04177	80.9
107.04957	5.2
107.08590	3.8
108.05758	1.2
109.06534	9.1
109.10121	2.2
110.03678	1.4
111.04413	1.5
111.08121	1.4
117.03368	3.3
117.07049	1.6
119.04927	4.1
119.08609	1.4
120.05727	1.7
121.06511	79.7
121.10124	4.2
122.03660	2.0
122.07298	2.0
123.04413	3.5
123.08067	3.5
124.05236	2.4
125.05993	22.3
131.04935	3.9
131.05923	1.6
131.08589	1.7
133.02858	1.9
133.06497	1.6
133.10143	5.5
134.03642	10.0
135.04379	3.2
135.08066	2.7
135.11714	1.9
137.05980	12.2
137.09619	5.4
138.06776	3.7
139.07564	6.0
145.02856	2.6
145.10100	2.4
148.05196	7.5
149.05981	100.0
149.13287	2.2
151.03899	2.2
151.07561	4.1
152.08321	1.8
153.05505	5.8
153.09106	22.4
162.03096	1.6
163.06229	1.2
163.07556	5.2
165.05518	1.7
166.06256	3.6
167.06995	1.6
173.09598	1.2
173.13271	2.3
177.05482	37.3
181.08594	20.4
191.07007	4.8
191.10651	2.9
191.14310	2.6
209.06137	2.2
209.08089	19.2
209.11520	1.6
209.15363	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.081
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03939	3.0
55.01861	6.7
55.05503	3.3
57.03430	1.6
60.43776	1.5
60.51403	1.4
65.03954	8.3
67.05495	5.0
69.93980	4.6
70.06605	2.3
71.05000	1.7
72.63049	1.5
73.06492	1.9
75.04475	8.5
77.03918	2.1
78.04699	10.6
79.05492	8.2
81.03412	2.0
81.07050	1.8
83.04993	2.7
83.63780	1.6
85.02915	9.6
88.14655	1.4
89.03911	5.8
89.06063	2.0
91.05478	42.1
91.06047	2.2
93.03406	26.6
93.07044	16.4
95.04971	19.3
95.08585	2.5
97.06533	8.5
99.04480	2.5
101.17838	1.4
102.11891	1.6
103.05478	20.5
105.04512	4.7
105.07041	2.4
106.04171	75.7
107.04955	4.5
107.08571	3.8
109.06503	4.6
109.10193	2.0
111.04404	3.9
117.03391	4.9
119.04908	2.5
121.06506	70.0
121.10159	2.3
122.03637	2.7
122.07296	2.8
123.04408	4.6
123.08070	3.4
125.05984	20.4
131.04938	4.9
133.02887	1.5
133.10115	5.7
134.03638	11.3
135.04396	3.3
135.08058	2.3
137.05989	11.5
137.09576	2.9
138.06740	3.0
139.07553	4.3
145.02840	2.8
147.04448	1.8
148.05197	5.8
149.05980	100.0
149.13127	1.8
151.07503	4.2
151.11162	3.2
153.05493	5.0
153.09111	17.8
163.03915	2.1
163.07510	3.6
164.10643	2.1
166.06186	2.3
167.96413	1.8
173.13249	1.7
177.05469	36.4
181.08592	18.0
185.42783	1.5
185.97415	2.8
191.06918	3.2
191.14336	2.4
192.13779	7.5
209.08022	16.4
209.09454	1.6
209.11751	2.5
209.13675	5.2
209.15454	5.4
210.14911	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0806
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
50.11737	4.2
55.01876	12.7
55.05511	5.5
65.03938	11.5
65.35227	4.5
67.05514	8.2
71.05005	4.7
71.44305	4.3
75.04472	11.5
78.04716	10.8
79.05508	9.6
81.07068	8.0
83.04992	7.2
85.02929	7.6
86.32107	4.0
89.03900	4.6
91.05480	42.7
93.03409	29.9
93.07064	20.1
95.04971	24.1
95.08606	7.0
97.06525	16.1
101.13052	3.9
103.05476	16.9
105.04516	10.1
105.07067	5.6
106.04182	74.4
107.04981	7.2
107.08629	13.1
109.06530	8.6
111.04511	4.7
117.03384	4.1
119.04948	5.3
121.06506	75.5
121.10165	9.9
123.04464	5.1
123.97443	5.8
125.06022	20.2
125.09643	5.9
131.04915	7.7
131.08553	5.8
134.03639	14.4
137.06032	10.9
148.05299	8.3
149.05981	100.0
149.09651	7.5
151.07518	9.3
153.05469	9.1
153.09062	24.0
163.11259	5.6
167.96466	5.3
173.39195	4.1
177.05464	40.2
181.08565	21.2
191.14307	6.7
203.05089	4.0
208.98901	5.4
209.08023	24.6
209.15398	21.1
210.14932	7.3
217.74408	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	2.7
55.01873	5.0
55.05501	9.9
57.07075	2.8
59.05004	2.9
65.03946	4.1
66.13432	1.3
67.05515	9.6
69.03435	10.1
69.07060	13.3
70.07181	2.1
70.07490	1.9
71.04996	5.7
75.04494	4.4
75.29944	1.3
78.04716	4.1
79.05484	10.0
81.03404	1.9
81.07066	14.3
83.04974	16.0
83.08623	5.5
85.02903	4.1
89.03922	2.5
91.05475	19.8
93.03395	8.3
93.07050	14.1
95.04966	16.7
95.08599	24.9
95.30023	1.3
97.06543	9.3
98.23447	1.6
99.08117	3.7
103.05481	5.1
104.79224	1.3
105.04494	1.5
105.07026	13.0
106.04166	28.5
107.04966	2.3
107.08587	37.0
109.06516	10.9
109.10153	14.8
111.04453	1.7
111.08089	5.1
113.09651	2.5
115.37090	1.4
117.07066	1.8
119.04920	1.8
119.08586	5.1
121.06499	25.8
121.10139	30.4
122.06032	15.7
123.08041	7.2
123.11695	4.5
125.05998	7.1
125.09619	12.9
128.10406	1.3
131.08566	6.8
133.10120	13.7
134.03635	4.3
135.04431	2.7
135.08046	11.6
135.11714	5.4
137.06000	3.3
137.09645	3.1
137.13182	1.6
138.06784	1.8
139.07491	3.2
139.11212	3.8
145.02878	2.1
145.10120	4.7
147.11700	6.8
148.05264	1.5
148.08833	1.8
149.05983	35.1
149.08484	2.9
149.09628	11.5
149.13245	18.5
151.11174	100.0
153.05489	2.0
153.09097	11.0
158.10910	3.2
163.07573	1.8
163.11163	1.7
163.14856	9.0
164.10701	18.8
165.12735	6.8
166.06291	1.6
166.12318	1.5
167.12665	4.8
167.14270	2.7
173.13261	14.0
177.05481	12.0
181.08598	8.2
191.10663	1.5
191.12657	2.5
191.14291	34.2
192.13826	60.0
192.15599	3.1
196.06230	1.5
209.04420	1.7
209.08054	6.8
209.09845	1.4
209.13596	6.9
209.15431	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.11871	1.1
53.03944	2.4
55.01871	3.1
55.05511	5.3
57.07078	2.2
59.04998	1.9
65.03944	2.7
67.05499	7.9
69.03429	11.0
69.07067	14.4
70.06582	1.3
71.04997	8.7
75.04485	3.0
77.03933	1.0
77.72110	0.9
78.04717	3.1
79.05484	8.0
81.03399	2.1
81.07054	14.1
83.04976	15.3
83.08628	4.8
85.02924	2.3
85.06554	1.3
89.03936	2.1
89.06052	1.3
89.21651	1.1
89.81854	1.0
91.05475	16.4
93.03403	8.3
93.07039	14.4
95.04964	11.8
95.08605	25.0
97.06531	8.2
99.08089	5.2
103.05459	4.9
105.04504	1.4
105.07013	8.2
106.04178	22.9
106.04909	1.3
107.04936	2.0
107.08591	38.8
109.06512	10.1
109.10168	15.7
111.08094	3.6
117.03400	1.4
119.04966	1.2
119.06104	1.3
119.08584	4.6
121.06503	26.8
121.10149	33.5
121.10984	2.5
122.06031	9.2
122.07287	1.1
123.04418	1.9
123.08062	7.8
123.11720	3.9
125.06008	7.1
125.09628	13.0
131.04990	1.7
131.08525	5.3
133.10112	13.3
134.03624	2.7
135.08044	13.7
135.11667	6.6
137.05977	3.5
137.09630	4.3
139.07529	1.8
139.11179	5.9
143.08533	1.6
145.10167	2.0
147.08031	1.5
147.11694	6.8
147.12700	1.2
147.89343	1.0
148.05174	1.6
148.08813	1.6
149.05977	26.5
149.08484	1.8
149.09605	11.3
149.13258	15.8
151.03914	1.3
151.11182	100.0
153.05460	1.9
153.09151	6.4
158.10884	2.7
163.07626	1.7
163.14798	6.8
163.97668	1.8
164.10748	11.1
165.12712	6.6
167.12657	2.6
173.13277	13.7
177.05449	11.4
181.08597	4.7
191.12651	2.1
191.14291	36.9
191.15918	2.5
192.13828	37.0
209.08151	5.8
209.13608	5.8
209.15445	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	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.7
55.01873	5.0
55.05501	9.9
57.07075	2.8
59.05004	2.9
65.03946	4.1
66.13432	1.3
67.05515	9.6
69.03435	10.1
69.07060	13.3
70.07181	2.1
70.07490	1.9
71.04996	5.7
75.04494	4.4
75.29944	1.3
78.04716	4.1
79.05484	10.0
81.03404	1.9
81.07066	14.3
83.04974	16.0
83.08623	5.5
85.02903	4.1
89.03922	2.5
91.05475	19.8
93.03395	8.3
93.07050	14.1
95.04966	16.7
95.08599	24.9
95.30023	1.3
97.06543	9.3
98.23447	1.6
99.08117	3.7
103.05481	5.1
104.79224	1.3
105.04494	1.5
105.07026	13.0
106.04166	28.5
107.04966	2.3
107.08587	37.0
109.06516	10.9
109.10153	14.8
111.04453	1.7
111.08089	5.1
113.09651	2.5
115.37090	1.4
117.07066	1.8
119.04920	1.8
119.08586	5.1
121.06499	25.8
121.10139	30.4
122.06032	15.7
123.08041	7.2
123.11695	4.5
125.05998	7.1
125.09619	12.9
128.10406	1.3
131.08566	6.8
133.10120	13.7
134.03635	4.3
135.04431	2.7
135.08046	11.6
135.11714	5.4
137.06000	3.3
137.09645	3.1
137.13182	1.6
138.06784	1.8
139.07491	3.2
139.11212	3.8
145.02878	2.1
145.10120	4.7
147.11700	6.8
148.05264	1.5
148.08833	1.8
149.05983	35.1
149.08484	2.9
149.09628	11.5
149.13245	18.5
151.11174	100.0
153.05489	2.0
153.09097	11.0
158.10910	3.2
163.07573	1.8
163.11163	1.7
163.14856	9.0
164.10701	18.8
165.12735	6.8
166.06291	1.6
166.12318	1.5
167.12665	4.8
167.14270	2.7
173.13261	14.0
177.05481	12.0
181.08598	8.2
191.10663	1.5
191.12657	2.5
191.14291	34.2
192.13826	60.0
192.15599	3.1
196.06230	1.5
209.04420	1.7
209.08054	6.8
209.09845	1.4
209.13596	6.9
209.15431	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.05254	1.8
55.05512	22.9
57.07066	4.2
59.04997	2.9
61.92110	0.9
67.05506	9.0
69.03438	21.5
69.07066	11.8
70.42939	2.1
71.04993	4.5
73.40661	0.9
75.28783	1.0
79.05493	4.7
81.07058	13.3
83.04527	1.7
83.04980	19.6
83.08622	7.2
85.06548	9.4
91.05476	5.1
93.07050	11.6
95.04989	2.6
95.08615	16.3
97.06521	5.2
97.10170	18.7
99.08101	13.7
105.07040	7.5
107.05023	1.4
107.08601	34.1
109.06539	8.1
109.10163	12.7
111.04478	1.2
111.08071	6.9
113.06001	8.6
114.46106	0.9
119.08585	3.4
121.06515	4.1
121.10148	25.3
123.08071	4.5
123.11707	3.9
125.05997	5.9
125.09632	100.0
127.07555	2.0
131.08582	3.7
133.10124	9.5
135.08069	11.7
135.11687	4.4
137.09622	3.0
139.07576	4.9
139.11201	3.1
147.11681	4.8
149.09624	71.8
149.13257	13.9
151.11183	42.7
153.09105	21.2
154.09955	2.7
158.10962	2.1
163.14810	14.1
165.12874	1.2
167.10652	2.7
167.14354	1.1
173.13271	10.5
191.14325	34.9
209.15379	64.5
210.89265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1539
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.63633	0.7
55.01862	1.3
55.05503	2.0
57.07079	4.1
57.49117	0.6
65.03955	0.9
67.05501	5.3
69.03420	1.5
69.07065	2.6
70.82301	1.1
71.04994	3.1
75.04481	0.9
78.04716	0.9
79.05486	5.2
81.07058	7.1
83.04989	2.2
83.08617	1.0
85.02898	1.4
85.06536	1.3
91.04932	1.0
91.05470	6.8
93.03419	2.3
93.07034	5.8
95.04971	5.8
95.08611	6.3
97.06535	1.8
99.04433	0.8
103.05475	1.1
105.07040	3.0
106.04173	5.4
107.08588	7.5
109.06519	100.0
109.10153	10.8
111.08069	2.0
115.05503	0.7
117.07042	2.0
119.08567	1.6
121.06498	6.8
121.10106	3.1
123.08060	9.6
125.06005	1.4
131.08563	7.1
133.10149	3.2
134.03616	1.0
135.08055	25.9
137.06010	1.0
139.11119	0.7
145.10110	2.4
145.96661	0.6
147.11717	1.5
149.05991	7.8
149.09605	3.3
149.13257	3.0
150.10484	0.8
151.11217	1.4
153.05489	0.9
153.09109	5.0
157.98381	0.8
163.07626	0.8
163.11217	1.4
163.14856	0.9
167.14362	0.8
173.13243	6.8
177.05481	2.6
181.08612	2.0
191.14308	21.2
196.31422	0.7
209.08072	2.3
209.11568	1.3
209.15358	9.8
210.14871	0.7
210.92509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11871	1.1
53.03944	2.4
55.01871	3.1
55.05511	5.3
57.07078	2.2
59.04998	1.9
65.03944	2.7
67.05499	7.9
69.03429	11.0
69.07067	14.4
70.06582	1.3
71.04997	8.7
75.04485	3.0
77.03933	1.0
77.72110	0.9
78.04717	3.1
79.05484	8.0
81.03399	2.1
81.07054	14.1
83.04976	15.3
83.08628	4.8
85.02924	2.3
85.06554	1.3
89.03936	2.1
89.06052	1.3
89.21651	1.1
89.81854	1.0
91.05475	16.4
93.03403	8.3
93.07039	14.4
95.04964	11.8
95.08605	25.0
97.06531	8.2
99.08089	5.2
103.05459	4.9
105.04504	1.4
105.07013	8.2
106.04178	22.9
106.04909	1.3
107.04936	2.0
107.08591	38.8
109.06512	10.1
109.10168	15.7
111.08094	3.6
117.03400	1.4
119.04966	1.2
119.06104	1.3
119.08584	4.6
121.06503	26.8
121.10149	33.5
121.10984	2.5
122.06031	9.2
122.07287	1.1
123.04418	1.9
123.08062	7.8
123.11720	3.9
125.06008	7.1
125.09628	13.0
131.04990	1.7
131.08525	5.3
133.10112	13.3
134.03624	2.7
135.08044	13.7
135.11667	6.6
137.05977	3.5
137.09630	4.3
139.07529	1.8
139.11179	5.9
143.08533	1.6
145.10167	2.0
147.08031	1.5
147.11694	6.8
147.12700	1.2
147.89343	1.0
148.05174	1.6
148.08813	1.6
149.05977	26.5
149.08484	1.8
149.09605	11.3
149.13258	15.8
151.03914	1.3
151.11182	100.0
153.05460	1.9
153.09151	6.4
158.10884	2.7
163.07626	1.7
163.14798	6.8
163.97668	1.8
164.10748	11.1
165.12712	6.6
167.12657	2.6
173.13277	13.7
177.05449	11.4
181.08597	4.7
191.12651	2.1
191.14291	36.9
191.15918	2.5
192.13828	37.0
209.08151	5.8
209.13608	5.8
209.15445	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	209.154
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	2.6
55.01877	16.1
55.05516	79.9
57.07088	5.2
59.05004	5.1
61.54470	2.9
65.03958	4.0
67.05193	2.9
67.05496	14.7
67.62366	2.9
68.99805	4.0
69.03448	5.6
69.07073	10.4
69.96302	6.6
71.05004	6.4
72.08163	3.5
73.87957	2.4
75.04481	3.3
77.03938	3.8
78.04726	5.3
79.05514	14.6
81.07066	24.2
83.04987	100.0
83.08625	58.6
85.02920	7.3
85.06557	5.7
89.06046	3.5
91.05487	36.5
93.03419	13.7
93.07047	30.4
95.04977	58.2
95.08597	13.2
97.06542	24.0
97.10184	6.5
99.04465	9.3
103.05491	12.1
105.04525	7.4
105.07041	12.0
106.04169	37.9
106.04812	3.0
107.04991	8.6
107.08613	33.5
109.06533	52.8
109.10147	28.3
111.08068	12.9
113.06024	3.2
113.09700	2.8
119.08591	3.1
121.06512	47.7
121.10156	42.3
123.04454	5.1
123.08102	7.8
123.11728	15.1
125.06010	12.8
125.09647	23.6
131.04951	3.7
131.08549	6.0
133.10139	27.5
134.03651	7.7
135.08072	10.8
135.11716	4.3
135.33861	2.7
137.05957	6.9
145.10144	4.1
148.05200	18.6
149.06000	59.7
149.09583	3.3
149.13229	14.1
151.11188	55.3
153.05481	3.5
153.09116	25.3
159.04404	6.2
163.14841	9.7
165.05515	4.5
167.07109	2.9
167.14328	75.1
167.96458	3.6
173.13284	8.8
177.05492	39.4
181.04933	5.9
181.08630	12.7
191.14320	13.6
192.04745	3.6
194.05740	14.2
208.29276	2.6
209.08057	78.4
209.15392	66.2
211.71590	3.2
225.01155	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03944	2.6
53.17086	1.1
55.01868	4.1
55.05514	15.1
56.76640	1.2
57.03448	2.2
57.07063	4.1
59.04999	3.6
65.03936	4.2
67.05513	10.7
68.99799	3.9
69.03435	18.5
69.07072	15.2
69.28172	4.3
69.28574	3.1
71.05001	8.9
72.77927	1.6
75.04491	1.9
77.03951	1.3
78.04718	3.1
79.05496	10.2
81.03395	1.8
81.07052	15.1
83.04987	13.8
83.08623	8.2
85.02893	4.5
85.06551	9.6
86.61599	1.3
89.03915	1.7
91.05476	19.4
93.03407	10.7
93.07054	25.3
95.04980	13.1
95.08614	17.0
97.06517	10.2
97.10186	11.5
98.23466	2.9
99.04487	2.8
99.08102	20.8
103.05450	4.2
104.86337	1.5
105.04478	1.6
105.07028	10.5
106.04179	25.3
107.04943	4.8
107.08593	34.0
109.06537	10.4
109.10152	11.6
111.04424	3.2
111.08087	9.3
111.08720	1.3
112.46690	1.4
113.06025	6.5
114.61926	1.3
117.03389	1.3
117.06989	2.0
119.06100	1.5
119.08609	5.2
121.06512	27.2
121.10154	22.1
123.08068	7.1
123.11700	3.4
125.05994	11.7
125.09639	64.9
125.13267	2.3
131.04945	2.1
131.08553	9.0
133.10136	10.2
134.03638	3.7
135.08080	15.1
135.11691	5.3
137.05995	4.1
137.09636	5.9
138.06758	2.0
139.07553	7.2
139.11148	2.3
145.10144	5.8
147.11700	5.4
149.06003	27.7
149.09625	100.0
149.13277	11.3
151.11188	32.8
153.09123	25.1
154.09877	4.0
158.10866	1.4
161.77435	1.4
163.07605	1.7
163.11226	3.3
163.14845	9.9
163.97762	1.7
165.12633	2.0
167.07031	3.7
167.14368	2.6
173.13257	12.0
177.05533	11.6
181.08624	5.6
182.09433	1.4
191.06950	2.4
191.14320	21.1
209.08151	6.1
209.11787	4.2
209.15390	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.39811	0.6
53.03951	1.6
55.01881	2.2
55.05526	2.3
57.03437	1.3
57.07085	2.6
59.05008	1.5
62.01710	0.7
65.03948	1.9
67.05504	5.3
69.03426	12.0
69.03793	0.6
69.07059	4.8
69.55137	2.8
71.04992	2.2
75.04076	0.5
75.04491	1.8
78.04720	2.2
79.05495	5.3
81.03419	9.9
81.07058	10.8
83.04995	3.9
83.08634	1.1
85.02925	1.1
85.06570	1.0
86.46477	0.6
88.07737	0.7
89.03947	0.6
89.06010	0.6
91.05479	8.8
93.03400	4.5
93.07047	7.4
95.04969	10.6
95.08598	10.9
97.06541	3.2
99.08102	1.9
103.05486	2.7
105.04533	1.5
105.07021	5.4
106.04175	11.0
107.04948	1.0
107.08588	10.5
109.06510	23.3
109.10175	3.2
111.08134	1.4
111.24495	0.7
117.03349	0.7
119.08586	5.6
121.06500	14.1
121.10141	13.7
122.05992	0.7
123.08075	12.5
123.11703	7.3
125.06007	3.6
130.48746	0.7
131.04890	0.9
131.08578	2.6
133.10121	1.3
134.03618	1.3
135.08075	5.2
135.11691	0.9
137.05978	1.8
137.09633	3.7
137.13260	1.8
138.06731	0.9
139.07530	0.9
145.10109	1.2
147.11670	3.7
148.05165	1.0
149.05980	16.1
149.09604	9.9
149.10678	1.0
149.13232	8.4
150.10356	0.7
151.11209	5.5
153.05472	1.0
153.09117	4.1
154.05765	0.6
163.07524	1.0
163.14803	0.9
164.10707	0.9
165.12746	100.0
166.13145	1.1
173.13249	1.9
177.05470	6.5
181.08580	3.6
191.06985	1.5
191.14302	5.6
192.13841	3.0
209.07985	4.1
209.15338	51.5
210.15825	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.22372	0.5
51.29839	0.5
53.03959	0.6
55.01871	1.3
55.05512	1.6
57.07079	5.9
60.54187	0.5
65.03931	0.9
67.05510	3.8
69.03417	1.0
69.07062	1.4
71.04988	4.9
75.04469	0.6
78.04702	0.7
79.05492	4.5
81.07049	5.5
83.04980	1.7
83.08604	0.8
85.02914	0.8
85.06564	0.9
89.06039	0.7
89.33065	0.5
91.05466	6.8
93.03403	2.1
93.07046	6.8
95.04966	5.5
95.08617	4.4
96.43141	0.5
97.06536	2.2
99.04436	2.3
99.08074	0.7
103.05476	1.1
105.04523	0.7
105.07020	4.2
105.35203	0.6
106.04163	4.5
107.08603	6.4
109.06517	100.0
109.10149	10.4
109.33337	0.5
110.06868	0.8
111.08059	1.6
117.07030	1.2
119.08585	1.7
121.06502	6.8
121.10150	4.6
123.08062	9.9
125.05998	1.8
125.09621	0.8
131.06212	0.6
131.08563	6.8
133.10124	4.1
134.03642	1.3
135.08051	22.0
135.11691	0.9
139.11165	0.9
143.08534	0.6
145.10126	1.1
147.11652	1.1
148.05156	0.7
149.05971	6.8
149.09586	2.9
149.13217	2.5
150.10417	0.6
151.07462	0.6
151.11223	3.4
153.09102	7.3
158.10948	1.5
161.09636	0.7
163.11139	0.6
163.14839	0.6
163.95609	0.5
163.97726	1.8
167.14418	0.8
173.13237	6.7
176.11867	0.7
177.05470	3.1
178.43864	0.5
181.08569	1.5
191.07059	1.0
191.14301	22.0
192.13792	0.8
209.08081	1.6
209.13554	0.6
209.15327	9.2
217.21692	0.6
226.62616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.38686	1.7
53.03955	4.0
53.81736	1.9
55.01870	5.8
55.05513	35.6
57.03434	5.0
57.07069	6.3
59.05002	2.2
65.03938	6.3
67.05511	13.7
68.68528	1.6
69.03430	3.2
69.07067	17.8
71.05001	7.7
75.04472	2.7
78.04719	3.1
79.05486	10.0
81.07069	21.6
83.04985	100.0
83.08625	14.7
85.06551	4.5
89.03895	1.9
89.05982	1.9
91.05476	18.7
93.03412	7.6
93.07043	23.1
95.04975	66.4
95.08610	25.3
97.06542	18.5
97.10161	4.5
99.04459	14.1
99.08116	3.2
101.79139	1.8
103.05473	7.0
105.04533	3.1
105.07051	10.0
106.04189	21.7
107.04935	3.5
107.08608	22.2
109.02846	3.3
109.06526	57.7
109.10180	20.9
111.08063	8.5
113.06020	2.8
113.09666	3.0
115.07642	2.2
119.04913	1.8
119.08604	5.9
121.06520	26.8
121.10145	17.9
123.08078	12.6
123.11682	4.5
125.05995	6.7
125.09637	18.8
125.13239	3.7
127.07484	1.8
131.04959	2.0
131.08571	7.2
133.06520	1.9
133.10129	22.9
134.03641	3.0
135.08067	11.9
135.11708	2.6
137.05981	4.4
139.07545	10.0
139.11208	2.1
145.10075	3.0
147.11650	4.2
149.05992	32.3
149.09624	7.0
149.13277	11.0
151.11180	9.9
153.09119	35.5
158.10919	1.9
163.11139	2.1
163.14883	4.6
165.12689	2.1
167.07054	2.1
167.14296	10.5
173.13274	11.1
177.05507	12.1
181.08623	3.9
181.15985	2.1
191.14343	13.9
193.08661	3.4
209.08073	5.7
209.15382	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.9569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10163	6.0
77.01048	6.6
83.33067	8.1
94.93018	92.8
102.04018	6.0
102.50986	6.2
112.74251	6.4
112.89619	22.4
114.13959	6.5
192.93060	38.3
203.19165	6.7
209.95674	100.0
209.97585	35.4
210.97067	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	210.0503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.2
56.96563	2.9
66.82597	1.1
70.06593	1.4
84.08123	1.9
95.08601	2.0
107.08578	1.8
121.06509	2.2
136.06143	1.3
140.11665	1.3
145.96652	1.3
150.05507	2.4
163.97716	5.3
181.98691	1.8
192.06496	1.3
192.08751	3.3
205.00172	2.0
205.98737	1.3
209.15462	3.6
210.05017	100.0
210.09451	2.1
210.14861	18.7
212.81956	1.3
230.18472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1128
Annotation	p-Lactophenetide
Peak:m/z	Relative Intensity
53.03941	0.7
55.01836	0.4
55.43862	0.4
56.96568	1.0
59.84361	0.4
63.23441	0.3
65.65234	0.4
69.03377	0.3
77.03916	0.6
84.08150	0.4
91.05485	6.3
93.07050	10.2
94.07305	0.4
95.05003	2.5
98.97643	0.4
103.05473	6.8
105.04520	0.6
119.04953	0.6
121.06513	100.0
122.06834	1.0
136.06230	0.3
137.05946	0.7
142.35295	0.3
145.02827	0.3
145.96629	0.5
150.05531	0.7
151.00200	0.5
151.05966	0.3
151.07567	0.3
163.97737	1.2
164.07098	2.0
164.10661	2.1
174.05519	1.3
181.98703	0.4
186.96823	0.7
192.06570	5.9
192.08618	0.8
205.00128	0.4
210.05060	3.3
210.07701	2.0
210.09512	0.6
210.11404	4.2
210.14862	3.9
220.68216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.7
57.04558	54.0
67.05495	1.5
69.07062	3.4
70.06575	0.7
73.06416	2.4
74.07205	3.8
78.60825	0.6
81.07041	2.9
84.08125	1.0
85.94592	2.8
86.07186	100.0
91.05524	0.7
95.08616	1.5
97.99165	0.7
103.95624	1.0
106.04195	0.8
109.60889	0.5
121.06495	0.7
122.06833	1.0
126.10284	2.5
141.12611	1.2
142.13412	1.2
145.96648	2.8
150.06371	1.4
151.43329	0.5
163.97710	9.2
167.07074	0.9
178.05791	1.6
181.98782	3.0
186.99274	3.1
205.00529	0.8
210.14958	5.5
210.19640	43.2
230.00505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.9407
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61967	13.6
94.93012	15.0
112.89609	100.0
120.87385	10.2
120.94563	11.3
138.05460	14.0
163.00060	11.2
164.93549	11.7
210.94022	92.4
210.97110	19.6
211.10095	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27756	0.5
55.05515	1.8
56.96569	4.8
57.03440	100.0
65.43554	0.6
67.05508	1.3
69.07067	0.6
70.04925	1.1
70.05264	0.8
75.41947	0.5
76.80020	0.5
81.07061	1.3
84.58022	0.5
84.96077	0.6
88.36722	0.5
88.79255	0.5
93.07059	1.2
95.04986	1.5
95.08624	0.8
97.99207	1.9
105.07076	1.5
109.10156	0.6
119.08615	0.8
123.04465	0.9
133.10153	1.2
140.04741	2.3
147.11768	0.7
151.07605	0.6
155.07114	1.8
156.19255	0.5
167.07111	1.5
183.15826	1.0
189.78381	0.5
193.12337	0.6
211.09653	10.6
211.15202	0.8
232.95074	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
50.69604	1.1
52.67713	1.0
53.03956	1.3
55.01880	10.8
55.05508	1.9
56.96573	9.8
65.03941	4.3
67.05507	3.1
69.07069	1.4
69.25281	0.9
70.06590	1.4
70.61090	1.8
70.67010	0.9
71.05006	1.1
77.03921	2.2
78.04709	2.8
78.78361	1.1
79.05500	13.3
81.07059	3.0
82.20843	1.0
83.05000	1.8
83.18670	1.0
84.08148	1.6
84.96042	2.1
85.02902	1.0
89.03115	1.0
91.05488	92.0
93.07052	11.1
94.04202	1.5
95.04971	12.0
95.08623	2.6
97.06525	1.2
97.99199	4.2
103.05474	12.2
105.03402	15.6
105.04530	3.7
105.07042	18.4
106.04163	1.7
107.04964	36.7
107.08562	1.3
108.05757	3.0
109.06533	23.3
109.10126	1.6
115.05467	1.4
116.00193	2.7
118.04176	4.9
119.04955	100.0
121.06521	31.2
123.04442	6.7
123.08080	11.6
124.05200	3.8
125.06001	1.9
131.04965	1.1
133.06505	13.4
133.10158	1.0
134.03658	13.0
135.04424	1.9
135.08072	3.6
136.04254	1.2
136.05254	2.9
137.06003	8.0
147.04430	15.9
149.05997	51.0
151.03905	4.3
151.07556	57.8
152.04701	2.2
153.05476	1.7
161.06000	11.0
163.97780	1.7
165.05542	4.4
165.09106	2.2
166.06279	5.4
167.07056	68.1
179.07033	19.6
181.08615	18.7
196.36409	1.0
205.98869	2.0
211.09692	27.3
211.15039	1.9
228.83946	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
52.68607	1.0
53.03945	3.4
55.01860	3.5
55.05513	39.6
56.96567	13.5
57.03432	7.6
57.07078	1.5
59.04994	1.1
64.33088	0.9
65.03931	1.6
65.53642	0.9
67.05506	33.6
69.03427	9.5
69.07071	15.3
70.41517	1.0
71.04989	5.1
77.03896	1.1
79.05502	27.9
81.03420	100.0
81.07059	36.7
83.04986	42.6
83.08621	38.3
83.09006	0.6
84.32873	0.9
84.96047	3.1
85.02900	1.2
85.06547	3.1
87.90369	0.8
91.05487	34.9
91.06060	1.8
93.07047	21.1
93.07605	1.9
94.41461	1.0
95.04971	35.8
95.08615	22.8
97.02887	3.1
97.06536	5.4
97.10179	11.0
97.99197	5.9
99.08085	2.3
105.04494	1.1
105.07037	21.5
107.04958	6.7
107.08583	9.5
109.06538	5.4
109.10173	7.3
111.04427	2.7
111.08074	13.0
113.06026	2.0
116.00238	3.0
117.07030	1.9
119.04897	1.1
119.08582	21.2
121.10142	9.0
123.08059	3.1
123.11669	1.7
125.09610	2.8
129.07004	10.9
131.08572	13.0
133.06497	3.8
133.10110	10.5
135.11684	1.8
137.09615	3.3
142.07825	2.5
147.08067	3.3
147.11685	16.1
149.09637	7.6
151.11168	1.5
157.10132	16.2
165.12784	3.6
175.11200	20.3
175.14862	3.5
193.12257	47.9
193.15921	2.2
211.13300	22.0
211.15054	1.7
211.16794	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	211.1332
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03956	2.9
55.01861	5.4
55.05262	2.9
55.05515	37.4
56.17740	2.5
56.96568	45.1
57.03425	8.3
57.97446	1.6
59.04981	1.8
67.05506	30.1
69.03425	9.8
69.07068	11.8
69.64404	4.4
70.13967	1.6
71.04982	4.0
74.16770	2.5
77.03954	2.1
77.34094	1.7
79.05502	32.0
80.05801	1.8
81.03423	100.0
81.07061	36.1
83.04983	47.1
83.08621	36.3
84.96026	5.7
85.06556	2.9
91.05487	33.8
93.07042	17.2
94.49836	1.9
95.04970	31.7
95.08601	11.1
97.02906	2.9
97.06542	6.8
97.10159	6.0
97.99187	9.4
99.08115	2.5
105.07040	22.6
107.04946	6.6
107.08588	10.7
109.06519	8.2
109.10160	3.5
111.08113	13.8
115.05460	3.2
116.00220	5.8
119.08586	24.6
121.06444	2.0
121.10129	9.4
123.08042	2.7
123.11761	1.8
125.06063	2.0
129.06998	9.9
131.08578	14.0
133.06448	2.8
133.10165	14.2
135.11691	2.4
137.09618	4.8
142.07787	4.7
143.99742	2.0
147.08096	3.4
147.11694	15.0
149.09619	6.2
155.03842	2.4
157.10156	17.2
165.12773	4.4
173.04860	2.8
175.11176	17.1
183.04774	2.2
193.12262	56.2
199.06444	12.9
201.08009	6.3
211.06465	3.3
211.13310	21.4
211.15154	3.8
211.17027	2.1
217.07555	11.9
219.09088	3.1
229.07489	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46669	1.3
55.01872	3.1
55.05506	7.5
56.96563	9.8
57.03435	1.6
57.07066	1.5
67.05501	17.6
67.48324	1.5
69.03413	2.5
69.07058	3.3
71.04967	3.4
71.45644	1.6
71.56177	1.4
79.05490	7.2
81.07056	13.9
83.04957	4.5
83.08623	1.9
84.95995	1.3
85.06528	4.5
91.05477	25.0
93.07039	16.3
95.04967	100.0
95.08602	20.2
97.06517	3.2
97.99186	2.9
99.04434	5.8
99.08089	61.1
101.06044	2.7
103.05457	4.0
103.56416	1.3
105.03394	4.3
105.07016	9.0
107.04951	9.8
107.08592	10.4
109.06506	7.5
109.10154	25.4
111.08096	1.4
116.00215	2.0
119.04928	18.4
119.08588	17.6
121.06492	5.3
121.10146	4.8
123.04415	2.2
123.08090	4.1
123.11711	3.3
125.09631	2.2
133.06523	3.1
133.10126	35.8
134.03629	3.1
135.08098	1.8
135.11705	10.8
137.05975	2.2
137.09602	44.2
147.04408	4.1
147.08044	2.0
147.11728	2.8
149.06026	8.6
149.13252	3.0
151.07545	10.8
151.11188	2.3
153.05508	4.1
155.10678	23.0
161.05968	2.2
163.97755	2.0
165.09081	1.8
167.07028	11.5
168.07848	3.3
175.14838	10.7
179.06984	3.8
181.08501	2.2
193.04945	2.5
193.08572	3.5
193.12199	1.5
193.15822	14.6
196.07274	1.6
205.98778	2.2
211.09526	10.5
211.15007	2.3
211.16942	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.84727	1.1
55.05513	14.4
56.96569	11.9
57.03439	1.6
57.07069	5.1
58.23865	1.2
58.88123	1.3
59.04998	2.8
67.05506	26.3
69.03423	10.4
69.07069	15.2
71.04998	6.9
71.45957	1.9
79.05501	4.2
81.03418	1.5
81.07060	28.4
83.04967	12.5
83.08623	10.9
84.96027	3.3
85.06541	3.6
91.05480	6.3
93.07042	11.9
95.04974	4.4
95.08607	41.6
97.06519	2.0
97.10207	3.3
97.99171	4.1
98.98460	2.5
99.08080	5.8
103.89326	1.4
105.07039	8.7
106.04142	1.4
107.08596	29.5
109.06521	12.1
109.10157	100.0
111.08087	5.0
113.09612	1.5
116.00221	3.4
118.76822	1.5
119.08578	27.1
121.10140	12.9
123.08076	14.6
123.11716	10.6
125.09631	2.6
133.10127	20.2
134.42473	1.3
135.11685	70.9
137.09618	19.0
138.12300	1.3
139.11220	3.2
139.45526	1.3
147.11713	2.4
149.13268	6.5
151.11159	13.6
151.14832	11.5
153.12772	2.6
165.16443	4.0
175.14809	25.7
193.15877	20.1
211.07352	1.9
211.14967	2.6
211.16948	2.6
222.09441	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
50.64362	1.3
53.03959	1.6
55.05513	16.2
56.96568	16.9
57.03441	5.6
57.07083	7.1
59.05004	2.2
63.70966	1.2
64.08438	1.3
67.05505	29.7
69.03432	9.0
69.07069	18.5
70.06597	1.5
70.32999	1.4
70.33307	2.0
71.05009	5.6
71.08630	1.9
77.87052	1.2
79.05497	4.3
80.06234	1.3
81.07058	32.7
83.04977	11.6
83.08628	13.8
84.96059	2.7
85.06558	5.6
91.05457	2.8
93.07054	12.0
95.04970	4.0
95.08610	47.8
95.09223	2.8
97.06522	1.7
97.10207	3.6
97.99187	4.8
99.08112	4.9
105.07043	7.7
107.08597	27.1
109.06524	12.1
109.10159	100.0
111.08096	5.5
113.09670	2.7
116.00214	3.7
119.08570	21.2
121.10146	10.8
123.08062	14.0
123.11718	10.3
125.09669	2.2
127.11202	1.5
133.10117	16.9
135.11691	60.9
137.09612	19.5
137.13297	2.1
139.11174	2.7
147.11728	1.7
149.13229	7.4
151.11186	13.2
151.14816	13.4
153.12753	3.0
159.07664	1.3
163.97614	1.5
165.12762	1.7
165.16431	3.4
175.14821	23.3
193.15883	20.9
193.17526	2.2
210.22192	4.9
211.15077	2.4
211.17026	3.2
211.20679	3.1
211.22493	15.5
229.65857	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
55.05505	15.9
56.96561	34.7
57.07075	4.6
67.05501	28.5
69.03439	8.4
69.07070	17.5
71.04986	4.2
75.69767	1.9
79.05499	8.8
81.03436	4.5
81.07048	29.5
83.04967	18.8
83.08626	11.4
84.96046	5.2
85.06551	5.4
91.05501	5.8
92.30029	2.1
93.07030	13.4
95.04937	5.3
95.08608	38.7
97.10193	4.4
97.99191	12.6
99.08091	3.5
105.07053	9.6
107.08591	24.6
109.06511	11.0
109.10153	100.0
111.08083	6.6
116.00233	5.3
119.08578	25.3
121.10130	11.0
123.08053	15.5
123.11674	10.8
125.09663	2.6
131.08617	2.5
133.10121	19.5
135.11685	60.2
137.09621	20.4
139.11212	3.6
147.11676	2.5
149.09709	2.4
149.13280	8.0
151.11227	10.5
151.14864	10.5
153.12697	3.9
167.07066	3.4
175.14824	20.6
177.79556	2.3
193.12318	3.3
193.15851	17.5
199.06395	4.9
201.07991	2.5
211.06451	2.9
211.10754	2.7
211.15053	4.2
211.16870	4.6
217.07472	5.8
229.07425	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74715	0.2
53.03930	0.4
56.96554	0.7
65.64344	0.2
68.05019	0.2
70.14566	0.5
70.14931	0.4
74.06080	3.9
77.03920	0.7
79.05502	0.3
81.03408	0.6
82.99054	0.2
91.05478	4.1
92.05013	1.6
93.07047	8.3
95.04465	0.2
95.04984	1.5
98.97614	0.2
103.05475	4.3
105.04539	0.5
105.22591	0.2
106.03707	0.3
109.02878	0.6
110.06059	0.8
116.98585	0.2
117.07026	0.2
119.04937	0.4
120.04465	1.1
121.06509	100.0
122.06094	0.2
122.06842	0.9
123.04462	0.2
124.07598	0.5
125.54505	0.2
128.98680	0.2
133.06505	0.4
134.06088	0.4
135.04446	0.3
141.24776	0.2
143.20825	0.2
145.06505	0.8
146.01314	0.2
150.09148	2.0
151.07507	0.6
152.07066	0.5
155.07071	0.5
162.09143	1.7
166.05890	0.4
166.08699	0.3
180.10237	0.9
183.06551	0.6
184.09877	0.3
187.39172	0.2
189.00740	0.4
194.11772	20.6
201.26038	0.2
207.01765	0.3
212.09192	0.7
212.12828	1.0
212.16377	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	212.1646
Annotation	Elaeokanine C
Peak:m/z	Relative Intensity
55.01864	3.6
55.05516	14.5
56.05024	4.9
57.03426	9.9
58.06587	4.3
64.85327	1.7
65.03944	3.2
67.05504	40.8
67.19640	1.5
68.05024	3.7
69.03439	2.4
69.07060	13.1
70.06599	25.6
70.06951	3.4
71.04993	20.3
72.04521	19.4
73.05289	4.9
74.06068	5.0
77.03927	2.8
79.05494	100.0
80.05002	2.9
81.03386	3.8
81.07054	35.9
82.06569	7.5
83.04982	13.4
83.08614	2.5
84.08134	3.4
85.06540	5.3
86.06064	21.5
88.07592	1.8
91.05482	47.5
93.07043	62.9
94.06566	6.6
95.04961	16.9
95.08598	19.1
96.08134	12.7
96.08705	1.8
97.06548	21.4
98.06026	2.2
98.09692	7.6
100.07604	2.8
101.01644	1.8
105.04537	2.9
105.07032	22.6
107.08604	27.2
108.08144	11.1
109.06502	13.1
109.08895	4.5
110.09663	5.3
111.08074	6.4
112.07571	8.8
114.09131	3.1
115.05412	2.7
117.07021	9.7
119.06042	3.4
119.08607	10.6
120.08140	2.5
121.06488	2.4
121.10131	16.1
122.09680	3.8
123.08062	6.7
124.11159	2.3
126.09140	4.2
129.06999	3.2
131.08575	14.2
133.10127	11.4
134.09634	6.8
135.08049	3.8
135.11708	5.0
140.10649	3.4
147.11687	2.6
148.11198	4.7
149.09615	1.8
149.13159	2.4
152.10672	2.0
159.11711	12.3
164.14302	3.5
166.12338	2.3
174.12822	2.9
176.14339	10.5
176.99672	1.9
177.12764	10.5
182.15433	2.9
194.15396	44.3
195.13853	3.1
212.09181	1.9
212.16451	87.9
213.16731	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42651	2.3
55.01865	5.7
55.05510	16.0
56.05037	8.6
56.56527	2.2
57.07072	3.4
58.06601	3.5
60.04224	1.8
60.04523	47.7
62.02292	2.0
65.97610	2.5
67.00889	2.2
67.05502	100.0
68.05032	4.6
69.03431	4.0
69.07066	23.6
70.06599	4.2
71.04980	3.7
72.04515	52.5
73.02937	3.1
79.05486	47.1
80.05024	4.9
81.05782	2.4
81.07053	65.7
82.06567	12.3
83.04974	13.0
83.08603	4.6
84.04523	4.3
84.08150	10.1
86.06081	8.3
88.03990	4.2
91.05489	24.2
93.07047	42.5
94.06572	7.5
95.04970	9.4
95.08600	22.7
96.08124	16.4
97.06527	6.2
98.06060	6.6
98.09718	8.0
99.99879	2.4
105.07028	19.9
106.06579	3.2
107.04953	3.5
107.08597	22.6
108.08131	7.0
109.06582	5.1
109.10154	14.4
110.06055	4.5
110.09689	2.6
112.07611	7.7
114.09161	8.2
117.07025	11.6
119.08582	7.9
120.08153	4.0
121.06489	3.2
121.10135	15.9
122.09664	3.6
123.11713	5.5
124.07593	5.8
128.07097	3.1
131.08565	12.3
133.08798	2.9
133.10104	5.9
135.08069	3.6
135.11711	4.9
138.12791	2.7
147.11710	10.9
148.11174	3.5
149.13258	4.2
152.14351	4.4
159.11726	6.3
164.14322	22.0
165.12817	5.1
166.15918	4.0
170.78294	2.3
176.14354	9.0
182.15378	21.5
184.09769	4.6
194.15385	29.0
212.09117	4.9
212.16452	63.4
212.20030	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	213.076
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
53.03941	1.0
53.16671	0.5
55.01876	0.7
56.96581	0.6
65.03951	0.8
67.05506	1.6
69.55923	1.7
70.06590	0.9
77.03922	1.3
78.04749	1.2
79.05492	9.1
80.85259	0.6
81.07048	1.5
83.04999	0.6
88.07623	1.3
89.03923	1.3
91.05473	1.5
93.07045	0.9
95.04976	9.7
98.97590	2.0
105.03390	0.7
105.04521	2.4
105.07018	1.4
106.04160	1.2
107.04959	66.2
107.08606	1.9
108.05330	0.7
109.06587	0.7
111.04472	0.8
116.98609	2.4
117.03402	0.6
119.08562	3.0
120.02086	0.8
121.10134	1.7
123.04436	12.3
124.05214	1.2
125.02350	5.6
130.96327	1.4
131.08530	1.0
134.99657	1.1
135.04416	19.9
137.06001	1.1
140.04688	100.0
145.03973	7.3
147.08046	1.5
148.97359	2.7
149.09601	1.7
151.03938	1.1
152.04684	1.1
155.07034	65.6
163.03909	59.3
165.09160	1.7
167.07047	21.9
173.08102	5.2
177.09091	1.3
189.97601	0.8
190.03824	0.7
195.06499	8.4
195.10167	1.0
207.98668	0.7
213.07584	15.0
213.10938	0.7
213.12695	0.8
213.16113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1487
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.57359	2.0
55.01881	2.4
55.05513	19.3
57.03439	8.1
57.07083	4.5
65.03926	2.0
67.05507	77.9
67.05866	4.5
69.07072	28.7
69.41191	5.2
69.41581	3.5
71.04993	6.1
71.14522	2.0
79.05497	38.3
81.03450	2.9
81.07059	100.0
83.05001	10.2
83.08621	27.1
85.06537	5.8
87.14117	2.0
88.07643	6.2
91.05488	28.0
93.07049	60.8
95.04968	3.6
95.08613	26.4
97.06542	15.8
98.97598	2.6
99.08111	3.1
105.07040	9.0
107.08603	33.0
109.06531	4.3
109.10188	5.7
111.08086	9.2
116.98640	4.3
117.07034	11.4
119.08596	5.4
121.10145	19.1
123.11733	5.2
129.06966	2.7
131.08583	16.7
133.10133	20.3
135.08086	4.3
135.11703	19.9
143.08554	2.1
149.13255	42.9
157.10187	4.3
159.11700	23.1
167.14397	2.5
172.02853	2.6
177.12778	10.8
183.87242	2.5
190.03888	3.3
195.13829	11.8
213.12679	3.0
213.16383	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1486
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
55.01874	3.4
55.05524	19.8
57.03438	9.0
57.07060	4.5
62.89071	2.6
65.03965	3.2
67.05508	74.5
69.07069	26.2
70.77680	2.7
71.04984	6.2
79.05496	38.8
81.03409	3.4
81.07056	100.0
83.04976	8.1
83.08619	17.8
85.06528	5.8
87.02410	2.4
88.07632	8.3
91.05486	21.1
93.07045	63.0
95.04955	6.1
95.08609	29.1
97.06531	16.7
98.97540	5.9
99.04446	2.8
99.08100	3.6
105.07064	8.5
107.08591	29.9
109.02921	2.6
109.10173	5.9
109.80834	2.3
111.08090	9.6
114.98444	2.3
115.85996	2.2
116.98611	5.6
117.07021	6.8
119.08598	3.3
121.10168	16.2
123.11718	3.4
127.03931	6.1
131.08582	11.6
133.10143	17.0
135.08014	2.6
135.11707	17.4
149.13254	40.1
157.10159	3.7
159.11656	19.2
171.11694	4.1
177.12762	6.9
180.45787	2.3
185.13338	3.2
195.11870	2.4
195.13792	8.6
195.65399	2.5
210.71703	2.7
213.12617	9.7
213.16354	12.1
233.91124	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	214.0926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.9
66.92628	0.6
69.07069	9.8
71.05592	0.6
72.04546	0.8
72.08158	1.4
72.38294	0.5
76.32496	0.5
77.00916	0.5
82.99834	3.9
84.08147	1.3
86.09707	100.0
87.10027	0.7
97.06538	11.2
98.97584	1.2
100.02494	1.5
101.00881	30.9
101.39336	0.5
112.02487	1.4
114.09149	0.6
116.98629	0.9
118.03519	9.8
119.01920	95.8
120.02030	1.2
126.03104	0.5
126.04048	0.9
126.07602	0.6
129.47682	0.5
130.03479	2.6
131.01912	4.1
136.04564	1.8
137.02968	23.2
142.03468	1.5
144.05057	2.8
144.08710	2.0
149.02939	1.7
149.31567	0.6
154.03520	1.5
155.05531	1.9
162.09779	1.7
168.08673	4.6
172.04498	3.4
172.97522	0.6
173.02971	1.1
173.06569	2.9
183.56880	0.6
186.09760	70.0
187.09868	1.3
190.98643	1.0
191.03973	1.5
191.07509	1.2
196.08235	3.0
197.06602	5.6
204.10809	23.0
214.09239	41.3
215.07637	5.4
215.09441	0.8
229.12985	0.6
232.10301	91.5
233.08568	4.1
233.10695	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.56681	7.2
74.62266	2.4
82.01415	3.3
82.99893	3.1
96.92236	14.7
98.91980	13.3
100.02493	34.0
101.00879	29.8
107.53443	2.4
111.04060	7.0
112.02480	4.4
116.61248	2.2
116.89082	2.8
118.03531	62.5
119.01921	45.5
126.02770	3.2
126.04025	6.3
127.03571	16.3
129.05113	35.0
129.90453	1.9
130.03551	13.0
135.03790	2.3
136.04567	20.9
137.02962	5.6
142.03506	5.4
144.03957	3.0
144.05052	34.8
145.04578	15.0
146.04094	2.5
147.06161	29.3
148.04515	7.3
154.03482	7.5
156.01436	4.1
160.04591	8.1
160.18227	2.2
162.06129	5.3
170.02965	19.9
171.06137	14.6
172.04533	18.8
173.04111	43.0
174.02480	5.1
180.01418	7.9
188.04074	19.8
189.07214	10.0
190.05676	5.0
191.05156	34.4
197.04132	4.9
198.02466	13.5
214.85216	37.0
215.05132	100.0
216.03487	7.5
233.06058	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	215.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69342	2.9
59.46042	2.5
72.17624	2.5
85.72414	2.4
86.00901	3.8
88.08053	2.4
96.92238	20.7
96.92770	4.1
98.91949	9.0
100.02493	28.6
101.00882	19.3
104.01942	2.7
108.01746	2.8
111.04105	3.0
112.02434	3.4
114.89354	3.2
116.50168	2.4
116.89120	3.9
118.03522	54.6
119.01923	37.8
120.72327	2.9
126.04002	4.5
127.03550	7.9
129.05107	34.2
130.03517	14.0
136.04555	22.3
137.03020	6.2
142.03551	4.9
144.05066	24.2
145.03651	2.5
145.04576	15.5
147.06165	20.3
148.04573	5.6
150.42883	2.6
154.03491	6.3
160.04601	8.7
162.06107	4.2
170.02997	14.1
171.06163	16.8
172.04579	15.5
173.04079	41.9
174.02548	3.8
180.01460	7.1
186.70041	2.5
188.04062	16.5
189.07204	8.6
190.05476	6.2
191.05156	28.4
197.04109	6.3
198.02490	16.6
214.84935	37.2
215.05142	100.0
216.03590	9.1
233.27705	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	216.1597
Annotation	Ethyl 3-(N-butylacetamido)propionate
Peak:m/z	Relative Intensity
53.75510	0.2
55.01881	0.6
55.05516	0.6
56.73545	0.2
56.76963	0.2
57.07071	1.1
61.02906	0.4
64.86640	0.3
66.22932	0.2
69.43391	1.2
73.02914	0.7
77.05020	0.3
83.04970	0.8
86.06081	1.3
86.09706	100.0
86.17970	0.3
87.10053	0.5
89.06038	0.8
100.23380	0.2
101.06039	0.6
111.04456	1.5
116.10742	1.1
121.00801	0.5
128.10716	50.0
129.05486	0.3
129.11021	0.4
139.01790	0.3
142.12245	0.3
155.07005	1.8
163.44585	0.3
163.72862	0.3
170.11761	62.0
171.12076	0.5
173.08104	1.2
174.14888	7.2
209.17328	0.3
216.15927	3.1
217.10732	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20086	0.8
53.03957	0.7
53.24854	0.7
55.05513	14.6
56.05026	1.5
57.03434	5.0
57.07067	2.2
58.06590	2.1
59.04988	0.7
67.05161	1.1
67.05502	15.8
69.07072	10.2
69.79980	1.5
69.80365	1.5
70.06592	12.6
71.05000	4.3
71.08614	1.2
72.04530	3.9
73.69318	0.7
74.06052	1.0
79.05492	4.6
81.07056	22.1
82.06589	1.7
82.79942	0.8
83.04977	8.3
83.08627	4.2
84.08131	3.3
85.06536	3.3
86.06059	1.7
87.04469	0.9
87.75782	0.8
89.06031	2.7
91.05465	3.1
93.07051	5.9
95.08596	7.5
96.08115	2.0
97.06531	2.3
97.10172	2.7
98.09688	1.3
99.08076	1.6
100.07643	1.0
101.05997	2.7
107.08589	6.1
109.10168	3.8
110.09697	1.2
111.04441	11.7
111.08085	1.1
113.06013	1.9
119.04969	3.7
121.00784	1.0
121.10133	2.5
123.11742	0.9
127.07524	2.4
129.05455	2.8
135.08015	2.1
139.01718	1.5
147.04402	11.5
155.07030	13.0
163.07555	1.2
163.14856	2.3
173.08095	9.8
180.17485	6.0
185.83989	0.7
198.18530	45.4
199.09619	1.7
216.19586	100.0
217.10698	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	216.1958
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
55.05260	0.7
55.05509	10.7
55.44671	0.4
56.05031	2.7
57.03434	5.6
57.07075	2.5
58.06586	2.1
60.04536	0.5
60.31067	0.4
62.18339	0.4
67.05502	17.9
67.05860	1.1
69.06707	0.8
69.07066	11.6
69.40791	0.4
70.06591	16.0
70.70364	0.9
71.04985	5.9
71.08617	1.4
72.04505	5.2
72.08135	0.7
74.06078	1.3
75.63528	0.5
79.05113	0.5
79.05495	6.5
81.07050	25.9
82.06564	1.3
83.04965	1.4
83.08620	5.8
83.64923	0.5
84.08138	5.7
85.06544	3.5
86.06052	1.9
91.05465	1.5
93.07036	7.1
95.08597	11.6
96.08122	2.7
97.06523	2.6
97.10159	3.5
98.09678	1.8
99.08099	0.9
100.07616	0.8
107.08595	6.4
109.10146	5.8
110.09669	2.1
111.04408	0.6
111.08057	1.7
112.11231	0.6
121.10138	3.6
121.26834	0.5
123.11707	2.5
124.11197	0.5
137.13252	0.5
147.04385	1.2
158.15329	0.6
163.14767	1.6
180.17456	6.9
181.15855	1.4
188.90369	0.5
198.18526	46.8
207.18361	0.6
216.19577	100.0
217.19896	0.7
221.25641	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.196
Annotation	12-Aminododecanoic acid
Peak:m/z	Relative Intensity
55.01868	1.3
55.05512	9.8
56.05038	24.5
57.03445	0.6
57.06812	0.8
57.07076	10.7
58.02951	0.8
58.06592	1.2
60.04528	22.6
60.97469	0.4
63.79218	0.6
67.05504	6.6
68.05038	0.9
69.07076	9.3
69.79317	1.5
70.06586	5.0
71.04990	1.3
71.08630	12.1
71.31973	0.5
72.04515	2.0
79.05487	2.1
81.06624	0.7
81.07059	9.3
82.06577	1.4
83.04987	5.0
83.08623	6.7
84.08188	0.6
85.06530	0.7
85.10191	6.0
86.06076	8.3
86.09711	0.6
93.07050	2.2
95.08607	13.5
95.09206	1.0
96.08122	0.8
97.06540	1.0
97.10162	2.0
99.06841	1.1
100.07584	0.6
107.08595	1.8
109.10174	2.5
111.04449	0.8
111.11709	0.6
121.10114	1.1
137.13266	1.1
151.14786	1.2
155.07057	1.3
155.14313	2.9
156.17506	4.1
163.14799	0.6
164.78757	0.5
168.17505	2.3
170.19049	17.6
180.17459	3.6
181.15889	4.3
186.18533	61.8
194.11557	0.6
198.18538	40.7
199.16946	1.0
216.19592	100.0
217.10664	1.0
217.19907	0.6
231.98997	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01886	1.2
55.05513	37.8
56.05035	0.9
59.05000	3.9
67.05505	2.4
69.03425	2.3
69.07066	1.0
71.08627	8.9
71.74922	0.5
73.02922	1.7
80.23923	0.5
83.04981	55.6
83.08610	2.0
84.04506	23.9
85.02898	1.2
85.06547	3.5
87.04458	4.6
88.11270	24.7
89.02400	4.6
89.06027	14.2
89.06538	1.1
93.03356	0.6
98.97567	1.0
99.04463	3.0
101.06018	25.0
101.88554	0.5
102.05524	1.4
107.07006	0.7
111.04443	96.5
112.04762	0.6
113.06014	8.3
116.98631	0.9
127.07552	8.4
129.05482	15.3
130.04997	12.8
137.05984	2.0
143.55730	0.7
144.08043	0.7
147.06625	0.7
155.07030	100.0
156.07376	1.6
171.14886	5.1
173.08098	84.9
174.08452	0.7
199.09648	10.0
200.12822	18.7
213.66154	0.5
217.10712	71.7
218.01447	0.5
218.10974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.1549
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
53.03945	0.5
55.01886	1.2
55.05513	37.8
56.05035	0.9
59.05000	3.9
67.05505	2.4
69.03425	2.3
69.07066	1.0
71.08627	8.9
71.74922	0.5
73.02922	1.7
80.23923	0.5
83.04981	55.6
83.08610	2.0
84.04506	23.9
85.02898	1.2
85.06547	3.5
87.04458	4.6
88.11270	24.7
89.02400	4.6
89.06027	14.2
89.06538	1.1
93.03356	0.6
98.97567	1.0
99.04463	3.0
101.06018	25.0
101.88554	0.5
102.05524	1.4
107.07006	0.7
111.04443	96.5
112.04762	0.6
113.06014	8.3
116.98631	0.9
127.07552	8.4
129.05482	15.3
130.04997	12.8
137.05984	2.0
143.55730	0.7
144.08043	0.7
147.06625	0.7
155.07030	100.0
156.07376	1.6
171.14886	5.1
173.08098	84.9
174.08452	0.7
199.09648	10.0
200.12822	18.7
213.66154	0.5
217.10712	71.7
218.01447	0.5
218.10974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05262	0.6
55.05515	10.0
56.05032	0.5
56.05836	0.4
57.03437	2.7
57.07077	1.1
58.06602	3.8
67.05164	0.7
67.05508	11.4
69.07073	9.7
69.33448	1.8
70.06595	9.4
71.04986	1.4
72.08149	0.5
73.19075	0.4
79.05481	0.9
79.49202	0.4
81.07059	15.2
83.04969	0.6
83.08622	6.7
84.05312	0.6
85.02892	0.9
85.06549	1.1
86.09710	0.4
88.11254	1.9
93.07064	0.5
93.09574	0.4
95.08610	15.7
97.10190	1.8
98.09681	0.7
98.97581	0.5
99.08084	0.5
100.11260	0.9
102.06364	0.5
102.19182	0.4
103.05476	0.4
109.09411	0.7
109.10161	11.7
111.04445	1.2
112.04778	1.1
116.98578	0.6
123.11694	3.0
129.07007	0.5
131.04948	0.6
131.08586	0.4
137.13324	0.4
137.40184	0.4
147.04410	0.9
155.07039	0.4
156.07365	2.0
159.08107	0.4
165.16367	0.8
172.13350	1.5
174.06934	0.7
174.08466	1.5
182.19052	10.5
183.17480	0.8
189.09074	1.0
200.20099	100.0
201.09090	0.5
201.20430	1.4
218.11093	2.3
218.21158	28.7
219.10193	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.1
56.05043	0.5
56.05838	0.9
57.03436	5.5
57.07080	0.7
58.06601	3.2
67.05502	14.5
69.07069	11.5
69.21964	0.8
69.22375	1.5
70.06589	11.8
71.04987	0.9
77.44559	0.3
79.05495	1.4
81.07055	13.0
82.07385	0.6
83.04977	0.9
83.08617	7.3
84.05346	0.5
84.08144	1.0
85.06558	1.5
86.09724	0.4
95.08604	16.3
97.10156	2.2
98.09686	0.9
98.97580	0.4
99.08104	0.4
100.11250	0.6
101.06039	0.5
109.10153	11.3
111.04449	1.3
112.04762	1.1
123.11671	2.6
131.04929	0.7
147.04428	0.5
155.07030	0.5
156.07352	2.1
165.16379	1.7
174.08438	2.2
182.19035	8.5
183.17488	0.6
198.18501	0.4
200.20099	100.0
201.20403	1.3
218.11005	2.0
218.21207	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	18.5
56.05038	5.7
56.05848	0.6
56.96564	1.0
57.03447	0.8
57.07079	5.1
57.84194	0.6
58.06605	0.6
59.19773	0.6
59.84573	0.5
60.04528	85.9
67.05506	19.9
69.07070	17.0
70.06594	6.8
70.31506	1.4
71.04990	6.5
71.08636	2.7
79.05511	1.5
81.07060	21.9
83.04971	0.9
83.08626	15.0
85.06555	0.9
85.10202	1.1
88.07639	1.3
93.07073	1.3
95.08611	26.6
97.10188	4.6
98.23366	0.6
98.97621	0.8
106.08689	0.6
109.10166	11.0
111.04416	1.5
112.04791	2.0
123.11725	2.4
132.09416	0.6
154.93202	0.8
155.07068	1.3
156.07365	2.7
156.17516	1.0
170.19046	26.5
170.76385	0.6
172.94318	1.6
174.08452	2.9
182.19075	7.3
183.17426	1.2
190.95441	1.0
200.20100	100.0
201.20462	1.2
218.11075	2.5
218.21159	52.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06810	0.5
57.07076	5.5
58.06599	0.8
60.23125	0.3
69.42333	1.4
70.06591	11.2
70.42135	0.3
71.08628	4.0
74.01410	0.3
74.06087	0.4
88.07631	15.8
102.09185	5.5
106.08668	8.8
143.41022	0.3
150.63914	0.3
156.17485	3.9
174.18539	0.7
200.20090	7.3
218.21153	100.0
219.21454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.9436
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40649	1.9
62.69065	1.8
62.98250	5.0
70.19955	6.1
80.14030	2.1
82.00915	2.2
84.08144	11.3
98.91948	4.2
98.97572	4.0
119.01926	2.3
121.01684	6.2
128.10713	2.4
134.99638	3.0
135.23381	2.0
136.94029	100.0
147.03215	4.6
159.05022	5.2
165.04170	2.3
172.95270	3.7
177.06111	4.4
190.96266	2.3
218.61508	2.0
219.02631	11.4
219.04707	4.3
219.08261	9.7
219.17496	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	218.9435
Annotation	Unknow
Peak:m/z	Relative Intensity
70.43946	2.6
70.44315	1.6
71.06113	1.2
72.55064	1.2
76.63877	1.2
77.51775	1.3
84.08128	5.7
91.20322	1.2
94.95015	1.2
99.09219	3.9
120.96692	1.7
121.01651	1.3
129.10294	1.5
136.94026	100.0
154.94154	2.4
155.36418	1.2
156.16226	1.2
158.08095	1.3
158.97260	4.4
172.95268	2.5
174.08493	1.3
176.09212	2.4
176.98267	2.2
192.62006	1.2
200.98296	1.9
203.14230	1.7
218.86066	2.1
218.99396	4.3
219.02069	1.9
219.17490	7.2
236.94072	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	219.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67423	37.9
77.31782	16.7
80.23992	18.8
94.70682	20.4
156.19725	18.4
157.36171	20.1
189.54137	16.6
190.08156	16.0
219.02654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32571	0.5
55.01876	3.1
56.96562	2.4
59.04990	1.0
61.02929	19.3
65.34086	0.5
70.11105	1.1
70.11446	0.7
71.00951	1.1
71.01357	31.3
75.04485	46.5
77.41725	0.5
84.99289	1.0
87.04469	15.0
89.02398	8.0
98.97580	6.8
101.06008	1.3
103.03947	59.9
103.10305	0.5
112.71626	0.5
116.98605	3.4
131.03409	13.0
131.61440	0.5
134.99644	1.1
136.92149	1.5
147.04410	0.6
148.04785	0.6
151.94055	0.5
154.93195	2.0
154.94261	0.9
157.07590	0.6
159.02895	100.0
161.04433	1.1
172.94113	3.3
175.08594	0.9
177.00760	1.3
187.02394	7.0
190.08617	1.6
190.95325	1.7
195.95886	1.1
201.06754	0.5
203.14363	1.9
219.05002	10.8
219.11340	1.8
219.17424	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	219.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
54.02671	0.9
55.01873	6.8
56.96555	0.9
59.05007	4.0
61.02931	8.0
68.99792	6.3
69.03429	2.1
69.77390	1.6
70.06589	3.1
71.01352	100.0
71.06932	1.8
73.02910	3.2
75.04482	21.6
82.18710	0.8
84.08141	3.4
85.02901	2.2
86.09712	2.0
87.04465	1.2
89.58681	0.7
90.05561	3.1
97.02857	1.2
98.97580	5.8
99.00808	3.9
101.00891	1.5
101.02364	6.4
103.00668	1.4
103.03936	31.4
105.02217	0.9
111.00800	8.0
111.04481	1.1
113.02359	4.8
116.98626	2.9
117.01855	10.2
119.01949	3.7
121.01685	2.1
121.10213	1.0
125.02388	1.1
127.00271	11.3
129.01843	8.0
131.01857	2.4
131.03398	58.6
133.05025	4.2
136.93057	1.6
136.94014	2.3
137.74730	0.8
141.01825	6.9
142.02585	1.4
143.03424	1.9
145.01317	7.1
145.04964	7.9
147.03185	2.5
154.94180	3.0
157.04955	12.3
159.02884	71.5
163.06056	1.1
172.95261	2.4
173.02985	1.0
173.04477	1.3
177.00803	1.5
177.03990	1.3
180.25829	0.8
190.39087	0.9
190.96239	1.0
191.05586	1.1
195.05368	1.1
201.02489	4.6
201.16113	1.0
203.14259	4.9
219.01744	1.3
219.03625	6.4
219.05360	1.3
219.11287	1.4
219.17415	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	219.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34886	0.2
55.05507	0.4
56.96550	0.3
57.16002	0.3
61.35945	0.2
63.15648	0.2
70.36154	0.6
72.08155	14.2
77.03922	0.6
77.47865	0.2
78.36780	0.3
80.26712	0.2
89.10796	1.7
91.05516	0.3
95.04952	0.4
98.06050	0.3
103.05466	20.5
103.74425	0.2
114.89536	0.2
115.08655	0.3
131.04926	100.0
132.05284	0.5
144.16612	0.3
147.04416	0.3
148.04729	0.3
148.07561	0.4
159.11755	0.4
160.07584	1.1
175.08612	0.3
190.95317	0.4
201.16739	0.3
202.12263	37.3
203.12543	0.3
219.14943	18.1
219.17372	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	Z-gamma-Atlantone
Peak:m/z	Relative Intensity
51.12199	0.3
53.03942	0.7
55.01863	1.1
55.05510	5.6
56.96562	0.8
57.03428	0.5
57.07066	0.6
62.13800	0.3
63.67831	0.3
65.03934	1.0
67.05505	17.6
69.03414	1.3
69.07066	4.4
69.26098	1.4
71.04974	1.0
77.03916	0.7
79.05495	20.7
81.03413	2.7
81.07056	17.7
83.04978	0.9
83.08611	2.1
85.06525	0.7
87.49179	0.3
91.05482	20.8
93.07045	21.8
95.04976	3.7
95.08016	0.6
95.08605	11.5
97.06515	1.8
97.10169	1.3
98.23449	0.5
99.08132	0.4
103.05484	0.4
105.04519	1.5
105.07026	8.3
107.04961	6.5
107.08595	10.7
109.06523	1.5
109.10155	4.4
111.08086	0.8
113.09718	0.3
116.55118	0.4
117.07024	7.5
119.08578	7.7
121.06495	3.7
121.10143	8.0
123.08067	1.7
123.11750	0.6
124.08340	0.4
124.94071	0.3
125.09620	0.6
130.07722	0.3
131.08572	15.0
133.10130	3.9
135.11678	4.1
136.94061	0.3
137.09601	0.8
138.79062	0.3
145.10115	5.8
147.11682	0.9
149.09560	0.5
149.13277	0.6
153.12732	0.5
154.93135	0.3
159.11674	3.3
161.13260	0.9
163.11163	0.4
172.94249	0.7
173.13263	1.2
175.14781	0.6
177.12753	0.4
190.95305	0.7
201.16354	3.1
213.97261	0.4
219.17439	100.0
220.17784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61711	2.1
55.01863	2.7
55.05500	2.7
56.96558	3.9
57.07067	8.9
57.27676	2.0
58.06601	4.0
59.05000	3.6
60.04535	15.9
67.05499	9.2
69.07059	6.4
70.02952	6.7
70.06586	9.6
70.44508	3.2
70.44853	4.0
71.01357	2.6
72.04523	12.9
72.08150	3.4
73.02901	2.6
79.05488	3.6
80.04996	3.3
81.07058	7.3
82.06596	2.8
84.08142	21.1
85.06561	11.9
86.09714	15.1
87.08135	2.9
90.05559	100.0
91.05471	5.2
93.07057	3.2
94.06580	4.0
95.04964	9.2
96.08128	2.2
98.02419	16.2
98.97579	6.5
99.17949	2.6
99.97948	3.8
100.03947	3.1
101.00864	2.5
103.07564	6.2
112.11233	5.1
113.06017	4.9
115.12362	3.0
116.03461	15.6
116.98616	5.2
119.01941	5.7
119.08531	2.8
121.06528	14.8
121.10164	4.7
122.06030	2.9
124.07582	17.6
128.10706	8.3
130.06525	8.7
132.04485	4.1
132.10202	6.2
133.10089	2.6
134.09723	2.4
134.99733	3.0
136.07587	3.1
137.05965	2.5
142.08624	7.7
145.10077	2.0
150.05531	3.8
152.07080	6.2
157.07597	7.2
158.06036	9.1
160.09700	2.6
162.09169	29.6
163.09492	17.0
164.07080	7.3
165.07457	2.7
166.08635	2.4
173.12923	6.0
174.05550	2.5
174.13278	2.4
175.08728	13.5
176.07114	2.6
179.05595	2.8
184.09715	29.7
184.13268	3.2
190.08633	64.0
191.08958	48.5
192.06532	3.2
196.04912	5.3
197.06660	5.1
202.05217	2.7
202.10748	33.0
202.12581	3.3
203.14333	9.9
204.14703	5.0
205.15903	21.3
205.85597	2.2
218.69200	2.0
219.11336	26.4
219.13362	3.8
219.17436	53.6
220.08144	19.5
220.11694	67.8
220.15356	5.2
220.17764	20.3
221.06569	6.0
238.00760	2.3
238.05957	3.4
238.09323	3.8
239.60374	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	220.118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.7
56.59756	0.7
57.07077	8.1
59.05001	4.5
63.82147	0.9
67.05503	7.5
69.07077	4.5
70.02953	9.0
70.70099	1.3
72.04133	1.2
72.04511	16.7
73.02904	2.9
74.02444	1.8
81.07080	0.7
83.04969	1.2
85.06542	12.1
86.09688	1.4
87.08104	2.4
90.05552	100.0
95.04961	7.7
96.08134	2.6
98.02415	19.5
100.03968	2.9
103.07570	6.4
112.07679	1.0
113.05990	3.3
116.03458	15.4
119.70177	0.7
124.06651	1.1
124.07584	20.4
131.07022	1.3
139.10559	0.9
142.08635	8.2
160.09676	2.6
166.08632	2.7
174.11212	2.6
184.09694	21.3
202.09167	0.6
202.10736	32.7
220.11787	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1181
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
50.21496	0.6
55.01869	0.7
57.07070	7.6
59.05000	4.6
61.02924	0.9
67.05497	5.4
68.37289	0.5
69.07061	4.4
70.02945	7.1
70.07310	1.1
72.04510	15.3
73.02913	3.7
74.02444	1.3
75.42306	0.5
78.94602	0.7
80.45914	0.5
83.04984	1.5
85.06537	11.1
86.09697	1.2
87.08104	2.4
90.05550	100.0
95.04964	6.3
96.08141	1.5
98.01852	0.4
98.02408	18.3
100.03965	2.5
103.07571	6.6
113.06001	3.9
116.03448	13.6
124.07586	19.4
131.07002	0.7
142.08595	7.2
145.58115	0.6
160.03159	0.6
160.09679	2.3
166.08606	1.6
174.11301	2.0
184.09698	18.1
202.10725	31.1
205.15891	1.2
220.11786	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	220.1545
Annotation	Miglustat
Peak:m/z	Relative Intensity
55.01865	4.0
55.05507	9.0
57.03436	12.8
57.07070	4.4
58.06585	2.3
59.05005	2.1
61.02930	1.7
64.81417	1.3
67.05499	14.7
69.03411	2.3
69.07063	5.5
69.39223	1.7
69.39501	6.7
70.02956	3.7
70.06234	2.2
70.06596	34.8
71.01338	2.2
71.05000	2.0
72.04504	6.5
73.02898	1.8
74.02423	1.4
79.05492	26.7
81.07059	46.5
82.06566	8.1
83.04978	6.3
83.08614	3.6
84.04499	5.8
84.08144	3.6
85.06529	10.6
86.06036	1.5
86.09708	1.3
90.05553	51.4
91.05469	4.3
93.07037	19.0
95.04949	7.1
95.08599	6.8
96.08137	2.0
97.10164	5.8
98.02402	7.5
100.03966	1.4
103.07561	3.7
104.76442	1.5
105.07040	6.7
107.04948	3.9
107.08595	56.2
108.99350	1.2
109.06514	5.5
111.04449	2.7
111.08086	1.4
113.05996	2.4
113.69386	1.3
116.03460	5.9
119.84231	1.2
121.06502	2.2
121.10152	22.8
122.09667	4.8
123.11711	5.8
124.07583	9.2
124.11224	4.6
125.05981	3.6
125.09632	21.3
129.05472	4.2
130.06572	2.0
131.08540	9.4
138.12782	9.2
139.11212	7.0
140.14354	19.3
142.08636	3.5
142.12253	13.0
148.11192	4.8
149.09621	36.8
158.15399	1.5
160.03310	2.0
166.12273	21.6
167.10683	28.4
184.09703	13.7
184.13316	19.6
184.79871	1.5
185.11732	4.4
197.61667	1.4
202.10764	18.3
202.14378	100.0
205.15810	3.1
212.67831	1.4
220.02162	1.8
220.08125	3.8
220.12067	19.1
220.15443	96.9
220.17566	4.3
221.02953	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	1.2
58.99863	1.4
64.00002	0.5
69.07066	0.5
78.95242	0.6
82.01447	28.5
82.99841	1.0
88.22099	0.6
98.97559	0.7
100.02486	76.8
101.00877	10.7
101.02599	0.6
118.03526	60.6
119.01925	33.8
120.02023	0.6
121.01636	1.0
136.04559	31.3
137.02953	6.7
138.95456	1.1
138.96437	1.9
141.05092	1.1
142.03473	4.9
149.02385	0.6
156.96539	1.7
156.97525	15.3
160.04546	1.6
160.99698	1.2
161.02972	11.5
161.97034	1.2
174.98619	13.5
175.04524	1.3
177.01056	0.9
179.00719	7.1
179.04008	15.3
179.98067	45.7
192.94693	0.6
197.99123	100.0
198.98433	3.2
202.99466	3.9
205.15900	1.2
216.00154	32.1
216.99655	6.6
219.02054	1.0
220.17654	0.9
221.01868	37.0
222.01894	0.7
224.01332	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41590	1.3
53.03943	2.4
55.01878	10.1
56.96558	2.1
57.03424	2.1
57.07071	5.4
62.98241	4.3
69.03438	16.5
70.00907	3.5
70.06588	14.9
71.01352	5.5
71.04992	4.0
72.08147	1.9
73.02920	6.7
75.04478	3.0
79.05502	2.4
79.55528	1.5
81.03442	3.0
82.04224	1.6
83.01352	31.0
84.08145	5.5
84.99261	2.0
85.02927	3.2
85.06524	1.5
87.00871	3.4
87.04474	4.3
89.02345	1.4
90.05556	2.9
91.05930	1.8
93.07092	2.0
94.06548	2.0
95.01337	100.0
97.02883	1.3
98.03690	3.6
98.97576	3.7
99.02761	1.4
99.04468	2.3
100.02508	3.8
101.00920	3.6
101.02378	6.4
101.06028	44.7
103.04009	1.4
107.05013	1.7
107.08590	1.7
109.10116	1.7
111.00807	17.6
112.11279	2.8
115.03936	8.3
116.98640	3.1
117.01884	8.1
118.03541	3.0
119.01925	14.8
119.03423	5.1
121.01663	2.6
121.06519	5.9
125.02352	2.9
128.10782	1.2
129.01851	11.6
129.05489	55.6
130.06523	11.5
131.03456	2.6
132.04445	5.0
134.05972	1.9
134.99684	1.6
136.04541	1.9
136.07626	1.4
137.02968	4.3
138.98946	1.2
141.05473	91.7
143.03374	6.3
148.97702	2.9
149.04465	3.8
152.07129	2.7
156.97499	11.9
157.01413	1.5
157.03674	2.0
157.04984	31.7
157.07607	8.9
158.06038	12.4
159.02882	1.5
161.03065	6.2
166.98695	1.3
174.01060	1.6
174.98547	12.9
175.08673	14.1
176.07121	1.6
179.04044	7.1
179.99170	1.8
188.81271	1.5
197.98967	2.2
198.00201	5.3
198.06296	1.4
198.98540	3.9
203.02245	2.2
203.08153	4.2
203.11188	3.6
203.14684	1.5
205.15880	2.5
216.01366	2.1
216.99567	6.8
221.01509	5.0
221.08391	8.3
221.12500	2.5
221.16048	1.6
221.18640	1.4
222.06694	1.6
239.09413	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	221.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41590	1.3
53.03943	2.4
55.01878	10.1
56.96558	2.1
57.03424	2.1
57.07071	5.4
62.98241	4.3
69.03438	16.5
70.00907	3.5
70.06588	14.9
71.01352	5.5
71.04992	4.0
72.08147	1.9
73.02920	6.7
75.04478	3.0
79.05502	2.4
79.55528	1.5
81.03442	3.0
82.04224	1.6
83.01352	31.0
84.08145	5.5
84.99261	2.0
85.02927	3.2
85.06524	1.5
87.00871	3.4
87.04474	4.3
89.02345	1.4
90.05556	2.9
91.05930	1.8
93.07092	2.0
94.06548	2.0
95.01337	100.0
97.02883	1.3
98.03690	3.6
98.97576	3.7
99.02761	1.4
99.04468	2.3
100.02508	3.8
101.00920	3.6
101.02378	6.4
101.06028	44.7
103.04009	1.4
107.05013	1.7
107.08590	1.7
109.10116	1.7
111.00807	17.6
112.11279	2.8
115.03936	8.3
116.98640	3.1
117.01884	8.1
118.03541	3.0
119.01925	14.8
119.03423	5.1
121.01663	2.6
121.06519	5.9
125.02352	2.9
128.10782	1.2
129.01851	11.6
129.05489	55.6
130.06523	11.5
131.03456	2.6
132.04445	5.0
134.05972	1.9
134.99684	1.6
136.04541	1.9
136.07626	1.4
137.02968	4.3
138.98946	1.2
141.05473	91.7
143.03374	6.3
148.97702	2.9
149.04465	3.8
152.07129	2.7
156.97499	11.9
157.01413	1.5
157.03674	2.0
157.04984	31.7
157.07607	8.9
158.06038	12.4
159.02882	1.5
161.03065	6.2
166.98695	1.3
174.01060	1.6
174.98547	12.9
175.08673	14.1
176.07121	1.6
179.04044	7.1
179.99170	1.8
188.81271	1.5
197.98967	2.2
198.00201	5.3
198.06296	1.4
198.98540	3.9
203.02245	2.2
203.08153	4.2
203.11188	3.6
203.14684	1.5
205.15880	2.5
216.01366	2.1
216.99567	6.8
221.01509	5.0
221.08391	8.3
221.12500	2.5
221.16048	1.6
221.18640	1.4
222.06694	1.6
239.09413	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	221.0785
Annotation	Carbamorph
Peak:m/z	Relative Intensity
55.01864	11.0
55.05514	1.7
57.07059	5.4
69.70956	4.8
72.08146	2.0
73.02916	21.8
83.31631	1.4
87.04472	17.4
91.05473	2.1
98.22787	2.6
103.05498	1.9
105.05507	2.8
116.98614	1.8
119.08575	2.3
130.06520	2.5
132.35915	1.7
148.61279	1.5
148.97694	4.0
157.46194	1.5
158.06049	1.9
162.21556	1.7
165.09003	2.0
166.98784	3.1
175.08690	3.2
189.05244	5.0
192.94945	1.9
204.10228	2.3
205.15884	2.4
220.18042	1.9
221.07828	100.0
221.12709	6.4
221.14903	1.7
244.67734	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
51.25428	1.1
54.74063	1.1
55.04939	1.0
56.96566	2.1
57.07071	4.7
58.00632	0.9
59.04999	1.6
63.84214	1.1
69.91022	1.7
69.91334	2.1
71.26234	1.2
82.02950	1.6
87.04462	2.0
89.96444	1.3
94.06548	4.1
98.97588	1.7
105.83155	1.1
116.98612	1.4
130.06526	40.3
132.04456	31.9
142.58833	1.1
148.97705	5.4
157.07608	19.8
158.06023	64.8
166.98753	2.5
174.93840	2.2
175.08673	100.0
176.07068	2.5
186.05505	1.5
193.65154	1.6
203.08144	1.4
204.06606	3.2
205.15881	3.3
206.16138	2.3
220.17755	2.4
221.09227	32.8
221.15547	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	Penienone
Peak:m/z	Relative Intensity
53.03946	0.8
55.05513	5.3
57.07072	2.4
63.49014	0.7
67.05511	5.0
69.07072	5.2
69.25903	1.7
69.26318	2.6
79.05495	30.0
81.07056	34.9
83.05029	0.8
83.08624	3.5
91.05479	16.5
93.03410	0.9
93.07050	8.8
95.04986	5.7
95.08604	6.8
97.06535	11.9
97.10166	2.0
98.23431	1.5
98.97574	1.3
105.04471	1.4
105.07037	6.9
107.04956	6.3
107.08603	5.1
109.06531	5.3
109.10157	2.8
111.04461	3.1
117.07027	0.8
119.04969	2.5
119.08585	16.6
121.06520	1.0
121.10149	4.3
125.05992	100.0
126.80777	0.6
129.07031	1.1
131.08603	2.4
133.06464	1.6
133.10130	8.0
135.11711	2.3
137.04938	1.1
137.05975	21.0
137.09608	0.7
142.07935	0.6
143.08566	1.6
145.10141	3.6
147.08064	6.4
147.11682	4.6
149.09685	1.3
151.07536	2.9
157.10107	1.4
159.11736	2.5
161.09598	4.7
161.13260	1.4
162.05557	1.2
165.09145	2.3
175.08627	1.2
175.14822	19.0
185.13232	7.2
193.15845	1.2
203.14316	39.8
209.89497	0.7
221.09416	0.9
221.15366	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	221.1537
Annotation	Penienone
Peak:m/z	Relative Intensity
51.23011	0.5
53.03937	0.5
55.05510	3.8
55.05737	0.7
57.07081	3.1
59.05003	0.8
63.75208	0.6
64.33933	0.5
65.03938	1.1
66.97110	0.6
67.05510	3.6
69.07068	4.1
69.65034	1.1
77.03932	0.8
79.05496	34.7
81.07059	36.4
83.04957	1.1
83.08607	4.8
85.50030	0.7
91.05483	14.8
93.03412	1.5
93.07050	8.7
95.04984	4.1
95.08602	5.5
97.06532	12.6
97.10178	2.5
105.04533	1.5
105.07026	7.3
107.04955	7.3
107.08572	4.2
109.06529	6.0
109.10178	2.3
110.53015	0.6
111.04440	2.5
111.08121	0.6
111.11703	0.6
117.07026	0.6
119.04910	2.7
119.08579	14.9
119.22778	0.6
121.06503	1.1
121.10155	5.0
123.04376	1.0
124.89011	0.6
125.05995	100.0
126.06412	0.8
129.07005	1.2
131.08536	2.7
133.06490	1.7
133.10126	9.0
135.11678	1.8
137.05980	23.1
137.09593	0.8
139.07541	1.1
143.08554	2.0
145.10149	3.1
147.08051	8.0
147.11687	4.3
151.07542	4.3
155.08537	0.6
157.10141	2.0
159.11699	2.4
161.09595	4.3
161.13251	1.7
165.09113	2.7
170.10875	0.9
174.93903	0.7
175.11176	0.8
175.14822	20.0
179.10733	0.6
185.13248	8.1
203.14316	37.5
204.14667	0.7
221.15373	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.31450	2.3
55.01872	15.1
55.05504	14.9
57.07074	20.1
58.89662	2.0
59.04995	3.9
65.17432	2.0
67.05507	43.7
69.03435	17.6
69.07068	14.2
79.05498	20.9
81.07056	95.9
81.40346	2.2
83.08622	5.2
85.06542	100.0
91.05460	20.7
93.07035	55.2
95.04980	3.2
95.08610	50.1
97.10161	3.5
98.97603	12.6
99.08099	12.1
105.07028	59.2
107.08595	59.1
109.06510	2.9
109.10155	41.8
111.08073	60.0
116.98613	9.4
119.08578	44.0
121.10143	70.3
123.11705	39.4
125.05990	2.4
125.09629	31.4
133.10139	26.2
134.99611	4.3
135.11682	11.5
137.05974	2.6
137.13228	3.2
139.11189	4.0
145.10205	2.9
147.08112	3.1
147.11688	46.5
149.02362	2.4
149.13255	16.8
158.01259	3.9
161.06012	2.3
161.09654	2.3
161.13261	32.9
162.05461	6.3
163.14830	29.9
165.09116	2.9
165.12738	6.4
175.11200	3.0
175.14841	14.5
180.97844	2.5
198.98952	3.9
203.14297	4.6
203.17972	44.6
221.11624	2.5
221.15623	11.5
221.19002	81.5
221.22075	11.5
222.07587	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.27281	1.8
53.01936	1.8
55.01872	14.6
55.05512	13.0
57.03426	1.9
57.07076	20.6
59.05007	3.1
67.05503	41.1
69.03429	17.5
69.07065	13.3
71.45828	3.2
79.05482	15.1
81.07058	82.2
83.04996	4.0
83.08622	7.7
85.06541	100.0
87.04476	2.8
88.07637	2.3
91.05476	16.1
93.07043	50.1
93.07602	3.8
95.04958	4.5
95.08605	43.1
97.06515	2.7
97.10191	4.2
98.97568	12.7
99.07488	3.1
99.08067	12.5
103.05461	2.2
104.43072	2.0
105.07030	57.1
107.08596	67.4
109.06557	2.8
109.10153	41.6
111.08083	59.2
116.98608	9.6
117.07011	2.2
119.08582	39.1
121.09269	3.1
121.10146	65.2
123.11717	36.1
125.09621	30.0
131.08527	2.5
133.06512	3.3
133.10127	22.8
134.99600	4.4
135.11699	8.2
135.12773	2.0
137.13240	3.6
139.11229	2.8
147.11681	43.8
148.97722	2.6
149.13269	15.3
151.11215	3.2
158.01300	2.4
161.05978	2.9
161.13258	28.6
163.14815	32.2
165.12790	3.2
175.14825	7.1
180.97908	2.0
193.08537	2.8
198.98840	3.8
203.14224	3.3
203.17966	37.1
221.07933	4.0
221.11810	4.3
221.15395	7.7
221.19019	74.6
221.22023	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29201	3.1
56.81964	3.1
71.07379	13.1
71.28069	2.6
75.18036	2.9
86.09711	100.0
86.10226	6.9
94.93023	4.8
97.02876	4.0
104.10752	47.3
105.11090	7.8
149.02382	3.3
156.97504	24.1
162.95621	72.0
174.98569	23.7
176.07170	3.6
198.98564	6.4
216.99593	15.0
217.75269	3.1
222.02809	85.8
222.11298	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	222.0762
Annotation	Methyl 2-(2'-hydroxyphenyl)-2-oxazoline-4-carboxylate
Peak:m/z	Relative Intensity
58.03514	0.4
71.00262	0.7
79.05499	1.8
89.03912	1.7
91.05471	0.9
91.73528	0.3
98.97592	0.5
106.05888	0.6
106.06554	7.0
116.04166	0.5
116.04982	9.2
117.03388	1.1
121.06491	1.3
133.05191	1.0
134.06015	18.1
135.04407	12.6
137.06021	0.4
144.04468	2.9
162.05499	100.0
163.05818	0.4
180.06540	3.7
180.97867	0.3
194.08141	1.7
198.98851	0.7
222.07610	89.8
223.07967	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.9409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	14.3
57.03429	10.6
61.02929	18.2
69.03442	15.3
73.02922	21.0
81.03402	11.5
85.02908	17.2
86.09714	8.2
93.07038	10.5
94.93014	84.9
96.92858	11.0
98.97564	33.0
100.02513	18.4
101.02303	9.4
104.10752	85.4
105.07058	9.1
105.11076	83.8
116.98619	23.3
121.06491	38.1
123.23740	9.1
124.92290	12.5
127.03933	9.2
128.02313	33.0
131.01913	49.7
134.92479	22.0
136.94031	21.9
141.03096	10.1
149.02292	61.9
154.03493	38.1
156.05089	11.3
164.07053	26.2
177.02446	24.6
180.92972	12.3
182.03024	32.1
184.02649	10.7
192.93060	18.7
195.03532	13.7
200.04048	85.5
218.05098	23.4
222.02049	27.6
222.07642	14.2
222.11165	20.6
222.94099	91.2
222.98822	100.0
223.02460	12.2
225.04276	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	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
54.57269	1.3
55.01867	4.6
55.05495	5.7
57.03423	2.0
57.07072	2.0
61.10966	1.5
67.05503	8.6
69.03414	3.6
69.07063	12.4
69.18155	3.3
69.18567	5.5
71.04996	18.3
79.05496	36.0
81.03400	2.3
81.07053	6.3
83.04944	4.0
83.08604	1.4
85.02892	4.3
85.22556	1.4
87.13448	1.3
91.04942	1.6
91.05474	21.8
93.07048	44.8
95.04968	12.5
95.08581	4.0
98.23470	1.8
103.05453	1.6
105.04510	2.1
105.06361	1.6
105.07034	28.0
107.04954	30.3
107.08594	41.2
107.55251	1.4
109.06491	6.3
109.10143	1.3
111.08083	2.6
115.05415	1.7
116.98642	1.6
117.07016	14.4
119.08567	11.2
121.06511	23.8
121.10143	38.2
121.33495	1.6
123.08066	3.3
125.09627	1.4
129.06969	2.7
130.07791	6.4
131.08565	100.0
133.10095	2.4
135.04460	6.4
135.08037	4.5
135.11702	11.2
137.09587	3.6
139.07520	4.7
143.08589	2.5
145.10121	70.1
147.07994	5.2
147.11673	2.9
149.02412	9.2
149.05989	3.3
149.09616	79.1
153.09122	2.5
156.53052	1.7
163.05789	2.2
163.07445	1.8
163.11180	53.7
165.09145	2.3
167.04692	2.0
167.07013	8.7
173.09615	4.2
175.97354	1.3
177.12784	2.3
179.10588	2.3
181.08557	2.8
181.12242	3.0
191.10669	26.3
195.13892	1.5
205.10559	1.6
205.12270	20.7
223.04193	2.2
223.13260	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.05512	5.7
57.07076	2.7
59.05001	2.7
62.29998	1.5
65.03924	2.0
65.70815	1.5
66.44070	1.4
67.05492	7.7
69.03426	16.3
69.07072	4.5
71.04983	2.1
76.08280	1.4
79.05502	5.9
81.03416	2.6
81.07065	9.4
83.04995	5.5
85.02941	1.7
87.04469	28.8
89.11401	1.3
91.05474	18.5
93.07050	15.9
95.04959	8.2
95.08618	3.0
97.02901	1.9
97.06541	3.9
98.97572	2.5
101.02380	2.4
101.06071	1.6
103.05449	1.5
105.04565	1.7
105.07039	6.3
107.04951	3.1
107.08601	8.2
109.06517	40.5
109.10168	6.2
110.07318	2.7
111.04443	2.1
111.08102	1.9
117.07016	2.6
119.06081	6.5
119.08598	8.8
121.02888	2.4
121.06505	47.3
121.10132	8.9
122.07285	6.6
123.08051	3.1
123.11705	2.3
125.05971	2.9
131.08585	2.3
135.04388	2.5
135.08044	3.6
135.11650	3.4
137.09610	100.0
139.07549	2.6
145.06509	1.8
145.10161	3.5
147.08054	2.4
147.11749	2.0
149.02338	14.9
149.05969	8.8
149.09651	7.3
159.11726	4.8
163.07578	4.6
163.11194	8.7
167.04733	2.3
177.12694	4.4
181.12358	1.9
187.11188	3.2
205.12276	4.3
223.13229	18.8
224.16576	1.7
225.04332	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
51.77693	1.7
55.01862	3.6
55.05510	10.4
57.03418	3.2
59.04987	2.2
67.05515	8.4
69.03426	3.7
69.07070	12.0
69.07378	2.2
71.05001	18.7
71.24605	1.4
77.03874	2.0
79.05496	32.8
81.07079	9.4
83.04969	7.8
83.08626	18.9
83.93626	1.7
85.06527	2.8
91.05476	22.9
93.07044	34.7
95.04983	10.6
95.08610	5.3
97.02895	11.0
97.06525	3.3
98.97564	3.4
98.98474	3.1
99.04421	3.6
103.05449	1.8
103.46304	1.8
104.66681	2.0
105.07039	33.1
107.04961	26.5
107.08598	59.9
109.06503	3.5
109.10162	5.5
111.08086	3.7
115.05406	1.8
116.06189	2.2
116.98605	2.7
117.07038	12.6
119.08591	20.4
121.06510	21.9
121.10147	37.0
123.08080	5.2
125.05988	4.0
125.09631	22.3
129.06985	4.2
130.07777	5.1
131.08572	100.0
133.10094	2.1
135.04425	4.8
135.08047	5.4
135.11690	12.6
137.05914	2.6
137.09589	5.0
139.07544	3.2
145.06476	2.8
145.10129	70.9
147.08063	18.6
149.02350	18.9
149.05983	8.8
149.09628	63.4
153.12692	2.7
158.01291	1.8
159.11662	9.7
163.05861	2.3
163.07405	3.4
163.11185	51.0
165.09064	6.6
167.04741	2.2
167.07050	9.9
173.09666	3.8
174.34122	2.0
177.12753	6.2
181.08598	4.2
181.12239	15.2
187.11153	6.9
191.10670	25.8
205.12225	36.1
223.04140	3.0
223.06059	3.4
223.07870	2.2
223.13274	64.6
223.16791	4.0
241.48846	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1331
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
53.03947	2.4
55.01885	5.2
55.05512	12.9
57.03437	3.5
57.07086	0.7
65.03935	1.7
67.05505	28.2
69.03436	1.5
69.07068	10.6
69.30048	2.9
70.59824	0.6
71.04997	1.3
73.02933	0.7
73.38280	0.6
77.03928	0.8
79.05042	1.1
79.05496	21.7
81.03422	12.7
81.07058	25.5
83.01337	0.9
83.04986	15.6
83.08632	6.1
85.02406	0.7
85.02904	10.4
85.06531	1.2
91.05483	23.8
93.07048	20.2
94.04193	3.6
95.04969	27.9
95.08024	0.7
95.08614	8.8
97.02908	2.7
97.06538	6.7
97.10168	0.8
98.97581	2.0
98.98471	0.8
99.08099	1.9
103.05468	0.8
105.04526	1.7
105.07035	9.4
106.05546	0.6
107.04953	11.2
107.08589	6.0
109.02877	2.0
109.06525	5.2
109.10157	2.3
109.74600	0.5
111.04451	4.7
111.08061	2.5
113.02317	0.6
113.06013	1.3
115.05418	1.9
116.06195	0.9
116.98660	0.9
117.07022	17.8
119.04928	1.0
119.08593	3.3
121.06509	5.0
121.10171	3.7
123.04427	2.2
123.08053	2.4
125.05991	3.5
129.07010	2.2
130.07808	0.7
131.08566	14.1
133.06509	0.6
133.10117	4.9
134.99660	0.8
135.04466	0.8
135.08069	1.4
135.11694	5.0
139.07574	0.9
139.11258	0.8
141.07002	3.1
143.08574	1.7
144.09384	0.7
145.06476	2.3
145.10144	4.7
147.11789	0.8
149.02357	2.9
149.09628	1.6
149.13268	3.1
151.11189	1.6
153.05519	0.7
153.09067	0.7
154.07794	1.4
157.10147	1.8
159.08098	0.9
159.11703	15.0
161.09586	1.4
163.11198	1.6
167.04742	0.8
169.10117	3.2
177.12766	9.9
187.11182	5.5
195.13795	0.8
205.12231	20.9
223.04245	1.3
223.13292	100.0
224.13658	0.9
227.01878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.133
Annotation	(+/-)-6-Hydroxy-3-oxo-alpha-ionone
Peak:m/z	Relative Intensity
55.01883	2.2
55.05511	4.1
56.77723	2.0
57.03431	2.0
57.07041	2.0
58.84479	1.7
64.41618	1.7
65.03941	1.9
67.05524	3.3
69.03437	8.1
69.07072	5.8
69.40507	6.4
70.12683	1.4
71.04993	6.6
71.73665	1.6
79.05499	6.5
81.07056	4.8
83.04986	15.0
85.02911	4.2
89.65282	1.8
91.05482	10.0
93.07043	18.0
95.04980	6.1
95.08605	4.3
97.06556	3.0
97.77545	1.6
98.98463	4.8
99.04440	2.5
103.05489	2.4
105.07027	14.7
107.04945	4.5
107.08585	10.2
109.06507	7.8
109.10181	2.7
111.08063	1.8
115.05476	2.0
117.07037	6.4
119.08585	16.2
121.02909	2.4
121.06500	21.1
121.10155	10.4
123.08034	9.6
125.09660	2.6
129.06952	2.9
130.07802	2.4
131.08557	4.4
133.10158	7.3
135.04437	3.8
135.08026	13.0
135.11708	6.5
137.09644	6.0
139.07510	4.2
143.08580	2.6
145.10117	25.3
146.07281	3.0
147.08049	22.7
149.02339	21.2
149.05989	40.3
149.09612	2.3
159.11665	9.3
161.09592	14.1
162.05478	2.6
162.10420	8.3
163.05858	8.0
163.07521	3.1
163.11179	100.0
164.11461	2.2
165.09116	3.2
167.04712	1.9
172.08900	3.1
177.12773	12.6
179.10701	6.4
187.11211	4.1
195.13948	2.8
205.12260	30.4
223.05927	4.6
223.07904	7.8
223.11163	2.3
223.13231	24.3
223.16882	2.3
225.04250	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	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	10.1
56.83888	7.4
57.03434	30.6
62.67993	6.4
69.53072	28.4
71.01350	14.7
73.02902	17.7
73.50034	5.7
74.06080	8.6
75.52751	6.4
85.02905	22.2
86.06054	9.7
87.04471	20.1
89.02419	9.4
94.93019	13.3
98.22609	7.6
101.02375	45.5
107.30389	7.1
109.02897	7.5
115.03931	56.7
116.57404	6.9
119.01920	22.2
121.06483	9.7
124.07687	6.0
129.01845	42.5
131.01900	9.6
133.05000	9.6
136.07605	8.8
137.02986	11.3
137.05971	11.3
142.03453	11.4
143.03392	29.8
150.09079	6.8
157.01344	56.9
158.97267	11.2
161.04446	34.2
164.07065	89.9
173.02972	6.8
178.08632	17.6
189.03952	100.0
206.08160	16.3
206.10146	8.4
207.05019	9.7
208.04211	7.9
223.97264	11.6
224.01653	16.5
224.09245	34.6
224.11139	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	224.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57988	25.2
58.02981	26.6
60.30580	26.5
62.15425	26.7
62.16290	31.1
62.69058	23.3
73.02921	34.9
85.55763	27.7
94.93031	90.4
101.02370	49.2
115.03925	82.1
122.63076	28.7
123.50976	23.9
129.01862	100.0
143.03407	62.2
152.89680	25.2
157.01357	48.2
161.04471	80.1
189.03934	92.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0921
Annotation	N-acetyl-DL-tyrosine
Peak:m/z	Relative Intensity
56.96539	0.9
68.07838	0.3
69.39745	0.2
69.91796	0.6
70.06572	0.5
70.36787	0.3
73.02886	0.5
79.89056	0.3
81.73055	0.3
82.02671	0.4
91.05473	2.5
93.07006	0.3
98.97617	0.3
99.85150	0.3
101.00919	0.5
104.07088	0.3
118.06512	0.9
119.01905	1.8
119.04935	1.9
121.06502	2.8
135.04448	1.4
136.06194	1.1
136.07564	1.3
137.03000	0.4
137.04950	0.5
137.05984	8.4
142.03464	0.9
146.05992	1.1
147.04382	0.9
149.04700	0.9
149.47075	0.3
150.02591	0.5
158.97223	0.9
160.04622	0.4
161.02928	0.4
163.03897	0.9
164.07062	100.0
165.07475	0.8
175.02725	0.4
176.98347	1.1
177.00996	0.4
178.08698	0.5
179.04001	0.5
200.98346	0.3
201.00748	0.7
206.08307	0.7
206.10341	0.5
211.22516	0.4
218.99452	0.7
219.01981	1.1
224.09206	19.1
224.11157	0.9
224.12901	0.9
225.12259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.7
56.96551	0.8
61.01184	0.5
70.06582	0.6
71.19028	0.8
72.08133	1.1
80.32864	0.4
83.04966	0.6
85.02896	1.1
91.05482	2.8
95.04967	1.2
98.97608	0.8
104.99255	1.0
105.07031	0.5
106.06558	0.9
114.42013	0.5
119.01893	1.7
119.04913	0.8
121.01093	2.9
121.06506	0.6
123.02630	1.3
123.04449	0.8
123.08105	0.9
125.05963	0.7
133.05258	1.3
134.06010	3.6
135.02628	1.5
135.06789	1.4
136.07567	2.1
137.02954	0.6
138.03708	1.0
139.02148	3.2
140.17021	0.5
142.03514	1.3
146.06015	2.0
147.06776	6.2
149.00569	35.7
151.02110	1.9
151.07547	1.2
152.05307	0.8
153.03677	1.5
161.03072	0.7
162.03751	1.6
163.02124	3.1
166.03242	13.1
166.48509	0.6
179.03870	0.7
180.04808	14.1
181.04886	0.7
207.06487	0.9
208.04279	100.0
209.04480	0.6
225.04799	0.9
225.06973	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	225.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20808	0.2
53.13754	0.3
57.07090	0.4
66.13873	0.3
69.27153	0.7
69.27559	1.3
75.35814	0.3
79.05500	0.6
88.68239	0.3
91.05479	2.8
93.07096	0.3
95.04969	0.6
95.08652	0.3
95.52207	0.3
98.23442	0.6
103.04025	0.3
106.06565	0.6
119.04956	2.6
121.01082	2.9
122.06080	0.6
123.02660	1.2
130.04156	0.6
133.05244	1.7
134.01849	0.5
134.06020	4.2
135.02650	1.8
135.06779	1.9
136.07602	2.1
136.08475	0.4
138.03719	1.3
139.02129	2.8
146.06007	2.4
147.04420	1.2
147.06781	6.7
149.00568	36.5
151.02136	2.6
152.05290	0.9
153.03673	1.6
162.03694	1.8
162.05486	0.8
163.02148	3.3
166.03220	12.3
170.92647	0.3
173.88770	0.3
175.03938	2.3
179.03970	0.6
180.04790	13.0
192.04193	0.7
207.06544	3.4
208.04276	100.0
209.04568	0.8
225.06912	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	225.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92639	3.9
66.90074	4.0
70.60416	6.7
98.98385	5.6
101.00881	36.7
109.02866	6.1
119.01924	100.0
124.02445	5.4
124.83289	5.1
127.03925	13.4
137.02939	16.5
142.03511	71.7
142.04570	7.9
151.81590	4.2
158.97188	26.8
160.04497	13.5
161.02962	34.4
171.50319	4.6
176.98338	12.8
177.00987	10.7
179.04027	35.8
182.97273	5.9
184.04582	7.5
198.47591	4.6
200.98322	14.5
218.99216	4.6
219.01990	5.5
228.45164	4.4
242.99544	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16378	1.6
70.16719	2.1
82.81382	1.0
82.99843	2.9
98.23448	1.3
101.00880	44.1
108.58562	1.1
109.62445	1.1
116.98859	1.2
119.01920	100.0
120.02048	2.2
124.02436	4.3
134.99884	2.6
137.02951	21.0
138.52937	1.0
140.98889	3.1
142.02377	1.3
142.03494	33.7
158.99892	8.4
160.04535	9.3
161.02972	17.5
177.00952	70.1
178.01007	3.3
179.03999	25.2
179.25491	1.2
182.99933	1.5
184.04544	3.1
201.00883	5.0
202.05659	2.5
217.04141	8.7
219.02002	66.8
220.02139	9.0
225.00995	4.7
243.01982	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.7
57.07055	2.8
58.06598	8.9
69.03436	3.8
69.07083	3.1
69.65275	6.5
70.06585	3.1
72.08156	5.4
77.68339	2.1
79.05489	2.2
81.07039	5.0
82.99826	2.5
83.05583	2.1
84.08136	2.9
90.20604	2.1
91.05433	3.2
94.93028	13.7
95.08593	3.2
96.04504	4.8
96.08166	3.7
98.06095	2.0
98.22687	2.3
98.97579	5.4
99.04462	2.8
101.00881	25.8
105.07016	2.7
109.02965	2.7
109.06483	4.6
116.98598	4.3
118.61948	2.5
119.01089	4.9
119.01923	100.0
121.01625	2.5
122.09669	4.7
123.08053	2.6
124.02495	2.5
127.03982	3.1
127.05007	4.5
133.01596	2.4
135.11795	2.3
135.47157	2.2
137.02974	25.8
142.03503	47.4
142.30635	2.2
143.01894	2.7
149.09720	2.5
154.12340	3.8
156.97522	3.1
160.04561	15.2
161.02995	17.3
164.10719	9.2
165.00018	3.1
165.05356	3.0
174.98515	2.8
176.98257	2.4
177.00974	21.8
178.01131	2.9
178.03262	2.7
179.04013	32.2
180.04243	3.1
182.11763	18.1
183.97586	2.4
184.02888	2.3
184.04556	6.0
190.12305	2.6
191.05544	3.0
193.04626	2.3
202.03914	5.1
202.05606	4.7
207.14938	17.1
217.04134	5.1
219.02022	25.5
219.99818	2.3
220.02122	4.8
220.05083	2.4
225.08894	11.5
225.12329	16.1
225.15967	52.8
243.01872	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	225.0759
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
52.42413	0.5
54.93305	0.5
55.01880	1.1
65.03946	2.2
70.66574	0.7
77.03947	0.9
89.03937	2.0
91.05481	49.4
92.47765	0.5
93.07047	0.8
95.04958	4.5
101.03935	0.9
103.05455	3.7
104.02673	0.5
105.04550	0.7
107.04944	1.0
107.08592	0.7
110.66676	0.5
117.03375	0.6
118.04157	5.3
119.04942	50.5
121.02902	1.0
121.06520	1.5
122.03634	0.5
123.04436	3.2
129.03442	1.2
129.04489	0.8
131.04922	0.9
132.02069	3.0
133.02856	1.1
133.06729	0.5
134.06079	0.7
135.04395	1.3
136.05180	1.4
145.02853	0.7
146.03603	1.2
147.04407	45.1
149.00534	1.6
149.02333	7.7
149.05971	0.9
153.05362	0.6
157.04002	6.1
162.03191	0.5
163.03889	0.8
164.04686	5.4
166.03230	0.7
168.73955	0.6
171.72427	0.5
174.03157	1.1
175.03905	69.5
176.04326	1.1
177.01869	3.0
179.07024	4.6
183.06525	2.0
192.04172	23.5
193.04959	5.4
207.06519	100.0
208.04280	5.7
208.06212	0.8
208.06839	0.6
218.15405	0.6
225.07448	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	225.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50985	1.6
51.66042	1.4
53.03924	2.2
55.01867	3.9
55.05508	7.1
57.03429	1.5
59.69794	1.4
64.59212	1.5
65.98470	1.4
67.05511	8.1
69.03439	7.4
69.07059	2.9
71.04992	16.9
73.02914	2.5
77.03919	2.7
79.05495	22.4
79.58604	1.3
81.07056	43.4
83.04983	1.9
85.06537	4.2
91.05477	37.3
93.07046	42.8
95.04961	9.6
95.08604	11.5
97.02893	20.6
97.06499	3.6
98.22712	4.5
99.04452	29.4
100.03155	1.5
101.95059	2.3
105.04597	1.6
105.07027	97.9
107.04947	8.0
107.08597	34.0
109.06517	11.4
109.10144	3.3
111.08060	7.5
113.06001	3.1
117.07001	2.9
119.01915	1.7
119.04940	5.4
119.06059	1.9
119.08563	5.9
121.06503	7.4
123.08093	6.8
123.11745	2.2
125.05999	3.3
128.06236	7.0
130.07784	1.9
131.08539	4.2
133.06506	12.7
133.10129	100.0
135.11679	4.6
137.02962	1.4
137.05957	14.9
143.08557	12.7
145.10123	7.6
146.07236	6.2
151.07538	7.7
151.11185	9.0
161.09619	96.5
163.11163	16.9
171.08038	2.7
174.06850	2.2
179.10686	23.6
189.09102	20.2
207.10164	4.7
207.13843	3.6
225.11105	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
55.05504	2.4
57.07072	1.9
59.05003	1.4
67.05506	6.7
69.03436	1.9
69.07071	3.5
69.44984	3.5
71.04990	16.5
79.05495	6.6
81.07069	7.0
83.04980	4.0
83.08555	1.1
85.06521	1.3
91.05484	5.4
93.07043	14.4
95.04948	2.3
95.08607	4.5
97.06521	6.1
99.04462	10.2
99.08112	1.9
103.05456	0.9
105.07034	16.2
107.08591	10.4
109.06530	6.9
109.10158	13.4
111.08099	3.4
112.58467	0.9
113.09628	1.7
119.04972	1.2
119.08570	13.4
121.06516	3.0
121.10146	42.2
123.08059	8.7
123.11726	5.1
125.09657	1.8
127.07498	1.3
131.08551	2.7
133.06497	2.2
133.07570	1.5
133.10123	3.5
135.08029	2.0
135.11703	3.1
137.09612	27.2
137.13234	2.1
141.09055	1.1
143.08545	1.9
143.77928	0.9
145.10143	2.5
147.08084	4.6
147.11668	13.3
149.09618	100.0
150.09885	1.5
151.07527	2.3
155.10631	1.6
156.09369	2.7
160.08829	1.1
161.09605	1.4
161.13246	9.8
163.11197	2.0
165.12744	7.2
167.10616	5.8
171.11737	7.5
171.12962	1.3
174.10411	3.5
178.62610	0.9
179.14291	2.6
183.13750	5.8
189.12732	24.7
207.13821	11.2
215.26329	1.2
225.14882	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	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05499	5.9
57.07080	4.8
59.05002	2.3
67.05501	18.6
71.04971	2.1
76.64516	1.5
79.05477	1.6
81.07063	2.7
83.05000	2.5
83.70508	1.3
85.06544	12.8
89.33466	1.6
91.05464	2.0
93.07035	6.3
94.02975	1.6
95.08609	100.0
101.16201	1.6
105.07036	6.0
106.22373	1.5
107.08604	7.5
109.06522	3.7
109.10120	1.9
111.07983	1.6
113.05970	8.4
119.08561	12.6
121.10127	7.9
123.08070	37.1
123.11719	3.8
131.08492	1.6
135.11710	12.7
137.09610	2.7
140.10730	2.6
141.09116	6.6
147.11746	3.1
149.09644	20.4
151.14812	3.5
161.13235	5.2
163.11223	2.2
165.12776	5.4
168.10126	1.9
171.11652	1.5
179.14275	3.0
189.12753	5.7
207.13832	6.5
225.14714	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
53.03935	2.4
55.01854	4.9
55.05510	14.1
57.03434	4.4
57.07074	6.1
59.04996	23.2
67.05497	20.6
69.03428	9.8
69.07069	10.6
69.26037	11.9
71.04984	6.7
77.03976	3.1
79.05496	20.7
81.03412	6.4
81.07057	21.2
83.04977	27.6
85.06538	2.7
91.05470	24.4
93.07050	30.3
95.04971	18.8
95.08602	21.6
97.06525	16.0
105.04475	3.0
105.07020	49.7
107.04964	4.8
107.08589	71.9
109.06502	27.9
109.10151	19.2
111.08138	2.9
117.07025	6.4
119.01930	5.7
119.04880	3.3
119.08575	51.2
121.06505	11.9
121.10140	16.2
122.07287	3.9
123.08064	84.4
125.05989	40.7
125.09657	3.2
131.08591	3.3
133.06526	6.7
133.10072	12.5
135.08060	23.2
135.11687	35.9
137.09618	78.1
139.07474	2.5
142.90085	3.2
145.10130	9.9
147.08032	9.4
147.11679	25.0
149.00583	8.2
149.09625	11.0
151.07552	34.0
153.09091	16.7
156.09401	5.6
161.09642	5.5
161.13240	33.0
163.11180	100.0
165.09148	3.1
167.10696	3.8
171.11717	7.8
177.12802	3.8
180.04677	2.9
181.12263	11.0
184.50471	2.4
189.12695	13.5
199.12793	2.9
207.13855	14.4
208.04228	16.2
225.14783	29.8
240.49101	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
57.07065	2.0
57.55363	1.0
67.05506	4.7
69.03429	1.2
69.07082	1.7
70.96670	1.2
79.05494	2.2
80.91266	0.9
81.07049	16.0
85.02903	100.0
91.05472	2.9
93.07072	2.3
94.15569	1.0
95.08612	2.8
105.07051	3.1
107.08588	4.4
109.06541	1.3
109.10152	10.4
119.08566	4.2
121.10162	5.9
123.08073	2.0
123.11703	82.5
125.05998	4.1
131.08540	1.4
147.08096	1.4
147.11682	3.5
149.09583	6.8
151.07576	2.8
159.11847	1.0
161.13300	1.8
165.12758	1.4
167.10817	1.0
175.03902	1.4
189.12679	5.0
193.03618	1.1
194.68390	1.1
195.23038	1.0
207.06548	2.3
207.13795	19.9
225.14871	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
51.03487	1.9
53.03954	2.3
53.68341	2.3
55.05519	5.6
57.03441	4.1
57.07078	3.6
59.04993	2.6
67.05502	10.3
69.03436	4.7
69.07063	10.9
69.54750	6.0
69.55142	3.0
71.01359	2.7
71.04994	28.9
79.05491	6.8
81.07062	17.5
81.48882	2.3
83.04984	25.3
83.08614	5.1
84.98148	2.0
85.02918	7.5
85.06529	3.7
91.05494	7.9
93.07037	11.6
95.04967	6.2
95.08617	18.6
97.06541	17.5
98.85962	2.3
98.97626	2.0
99.04455	20.5
99.08102	20.9
105.07034	16.3
107.04953	2.7
107.08602	28.0
109.06533	22.7
109.10153	5.6
111.04459	3.9
111.08070	3.7
111.11748	3.0
113.05989	2.5
113.09718	2.1
119.01894	2.2
119.08582	12.1
121.06534	2.6
121.10146	23.8
123.08075	100.0
123.11703	14.0
125.06008	5.4
125.09627	7.8
127.07558	14.1
131.08575	4.4
133.10149	14.1
134.25627	2.3
135.11728	5.2
137.05988	2.7
137.09644	7.9
137.13258	7.7
139.11197	4.7
141.06947	2.8
141.09062	3.8
147.11703	17.8
148.08661	1.9
149.09615	25.9
151.07550	5.9
151.11172	12.7
155.10645	10.8
157.10103	1.9
161.13232	5.1
163.11191	6.4
165.12772	13.5
167.06989	5.8
167.10675	10.8
169.08746	4.2
169.10123	10.7
171.11722	3.2
179.14343	9.6
180.04170	3.0
181.12192	2.8
183.11795	4.5
183.13832	12.5
186.91817	2.4
189.12799	9.5
207.13802	22.6
210.10458	2.5
225.11240	1.5
225.12723	20.7
225.14879	34.0
234.44510	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	227.0916
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
55.01876	4.5
55.05516	7.8
65.03940	6.8
67.05515	3.8
68.18981	0.9
68.28223	1.0
69.03476	1.1
69.92629	3.2
72.93786	1.6
73.02923	38.9
74.86665	1.0
79.05486	1.7
82.04219	2.4
83.04989	1.4
83.08631	2.4
85.02903	3.0
86.09708	3.1
91.05482	2.2
93.03390	1.8
93.07099	1.1
95.04971	6.6
95.08598	1.7
97.06533	3.4
98.22784	1.5
100.11262	50.4
105.04510	1.1
107.04949	1.6
108.02154	1.6
109.10149	1.3
110.03667	2.3
110.04807	0.9
111.04454	1.9
113.96430	1.5
121.06523	1.7
123.04464	7.4
125.02382	1.5
125.06007	2.6
131.97404	1.2
138.03084	2.2
140.04686	51.1
142.02666	1.2
145.33176	1.1
153.05507	5.6
155.07033	70.1
167.07077	1.9
171.06593	6.5
173.08128	4.1
179.07030	3.0
181.04964	100.0
181.08543	3.8
191.10469	1.0
209.08081	24.1
209.16508	11.2
227.09131	20.4
227.14258	1.6
227.17545	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Massarigenin A
Peak:m/z	Relative Intensity
50.11499	0.5
55.01870	6.2
55.05515	1.3
56.99133	0.5
57.66254	0.5
58.69917	0.6
61.73869	0.5
65.03938	6.5
67.05503	3.5
69.03429	0.7
69.07067	0.5
69.62157	1.8
73.02917	39.1
74.73232	0.5
77.03931	0.6
79.05484	1.8
82.04199	1.8
83.08598	1.2
85.02897	3.9
86.09687	0.9
88.93652	0.5
91.05477	1.8
93.03407	2.8
93.07047	0.7
95.04964	5.6
95.08611	1.0
97.06528	1.9
99.04432	0.8
100.11250	9.4
103.05451	0.9
107.04921	0.9
108.02074	0.7
109.06462	0.8
110.03641	3.6
111.04435	0.9
121.06496	1.5
123.04429	9.3
125.02338	1.7
125.06020	1.4
133.10123	0.7
138.03131	3.0
140.04677	48.8
142.02605	1.2
148.68651	0.5
149.06039	0.7
153.05463	5.4
155.07024	68.0
164.07127	0.4
167.07037	5.3
171.06555	5.4
173.08136	3.0
179.07033	2.2
181.04948	100.0
182.05338	0.9
191.08315	0.5
191.10611	0.7
209.08089	21.0
209.16621	1.1
223.03264	0.6
227.09129	19.9
227.17493	3.1
228.23160	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0916
Annotation	Ficusol
Peak:m/z	Relative Intensity
52.69362	1.1
55.01871	6.6
55.05515	1.4
61.40811	1.0
65.03934	4.2
67.00620	1.0
67.05502	3.1
69.07057	2.2
70.06590	2.2
72.93781	2.4
73.02917	41.9
79.05473	1.8
81.07071	1.5
82.04203	2.2
83.35991	1.3
85.02921	6.3
85.06594	1.4
86.09711	2.8
90.94833	1.3
91.05491	2.9
93.03391	1.6
93.07054	2.4
95.04983	4.6
95.08593	1.6
97.06531	2.7
100.11262	5.3
104.54859	1.1
108.02091	1.7
110.03648	3.5
111.04501	1.5
113.96398	3.3
116.71453	1.3
121.06525	1.9
123.04451	9.0
125.02358	2.1
128.37398	1.2
131.97440	2.5
137.06001	1.4
138.03067	2.2
140.04675	46.4
149.05998	1.7
153.05437	6.4
155.07028	71.2
167.07040	3.8
171.06461	6.4
173.08118	4.6
177.05524	1.6
179.07045	3.5
181.04955	100.0
181.08588	3.9
196.62817	1.1
209.08054	23.9
227.09105	28.9
227.14197	1.4
227.17647	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03957	1.3
54.50534	1.2
55.01863	2.8
55.05503	7.5
56.82204	1.2
57.03444	2.8
57.07077	6.0
61.04279	1.6
65.03935	3.2
67.05502	27.2
69.07055	6.8
69.41457	5.0
70.06589	1.7
70.61708	1.5
71.04993	21.9
73.02910	1.7
79.05488	25.8
80.05032	3.6
81.03407	2.7
81.07021	7.5
83.04974	8.7
83.08629	2.4
85.06541	100.0
86.09713	6.9
87.04482	1.5
91.05480	20.3
93.07041	25.6
95.04961	23.1
95.08595	2.7
97.06535	8.2
99.04455	3.4
99.08095	4.8
100.11259	22.1
103.05500	1.3
105.07034	19.1
107.04937	11.7
107.08582	29.3
107.09250	2.2
108.04513	1.9
109.06519	7.2
109.10178	1.7
110.03642	2.4
111.04428	15.3
111.08077	1.6
114.66444	1.2
117.07044	7.8
119.08587	14.9
121.06512	16.2
121.10136	22.4
123.04433	4.7
123.08076	3.7
125.05988	9.2
125.09621	1.4
129.06992	5.1
130.07758	1.6
131.08563	64.3
131.97472	1.3
132.08963	1.4
133.10130	5.2
135.08038	3.1
135.11702	5.8
136.04024	3.8
136.05183	52.5
137.04697	2.4
137.05925	1.7
137.09598	7.5
139.03906	4.4
139.07547	1.6
140.03432	1.7
140.04666	3.8
143.07010	2.0
145.06403	2.0
145.10114	32.5
147.08017	6.8
147.11696	1.8
149.05940	2.1
149.09613	69.6
150.03102	1.7
151.03902	3.9
153.05473	3.9
153.09131	2.5
155.07039	6.2
155.08492	2.2
163.07529	2.5
163.11174	26.0
164.03429	4.6
165.09108	10.7
167.06975	2.7
167.10669	31.7
167.12003	2.3
173.09683	8.4
174.02603	4.7
179.10672	2.9
181.04965	5.4
181.07326	2.0
182.04483	28.5
183.03180	2.6
191.10660	57.8
197.01227	3.6
197.11827	1.4
209.11720	59.9
209.16447	5.3
227.06810	4.2
227.12723	25.6
227.17592	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.05508	7.5
57.03431	2.2
57.04569	12.0
57.07062	3.5
57.60278	2.0
67.05505	26.0
69.07059	8.9
69.14965	12.0
70.06590	3.8
71.04992	18.5
72.93787	4.6
73.02932	2.5
76.84540	2.2
79.05492	32.2
81.07044	7.0
83.04973	5.2
83.08625	2.5
85.06543	100.0
86.07188	18.7
86.46312	2.4
87.06944	2.0
87.07527	6.4
91.05470	19.3
93.07047	24.7
95.04968	8.1
95.08608	2.1
97.06534	21.9
98.23431	4.8
99.08098	5.9
100.11251	36.3
103.05502	2.8
105.07034	17.5
107.04946	13.8
107.08585	26.2
109.06509	7.3
111.04456	13.8
113.71824	2.2
113.96404	6.1
117.07039	5.4
119.08561	18.2
121.06503	15.7
121.10130	18.9
123.04437	5.7
125.05986	8.4
129.07030	6.3
131.08565	60.7
131.97443	5.7
135.11690	4.6
137.05936	2.6
137.09601	6.8
140.04662	3.9
140.89349	2.0
145.10126	23.1
147.08026	7.8
149.05992	6.2
149.09610	59.6
153.05463	3.6
155.07031	6.6
155.08443	2.5
163.11157	21.3
165.09122	8.9
167.07037	29.3
167.10681	24.8
173.09605	8.0
177.05443	8.4
179.10602	2.9
181.04974	6.2
191.10657	56.0
191.14371	2.7
209.08133	6.2
209.11720	53.6
209.16420	6.4
212.12976	2.3
227.12721	30.2
227.17491	12.7
227.19582	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.128
Annotation	Erigerenone B
Peak:m/z	Relative Intensity
55.05513	15.0
57.03453	2.8
59.05005	1.8
63.85456	1.1
67.05500	5.9
68.99800	11.9
69.03421	4.1
69.07056	4.4
71.05001	1.7
72.93773	1.2
79.05493	6.1
81.07063	14.7
83.04982	3.5
83.08623	37.4
85.02901	1.4
85.06541	2.1
85.10197	5.5
91.05487	29.4
93.07040	12.8
95.04967	34.9
95.08631	1.6
97.06533	1.6
100.11275	9.8
101.02378	9.1
103.05426	1.5
105.07028	2.9
107.08602	49.6
109.06519	33.6
109.10159	14.8
111.04517	1.3
111.08086	100.0
117.05479	1.4
119.03421	6.2
119.04975	1.5
121.06501	2.9
121.10141	2.8
123.08092	1.6
125.09645	17.2
127.07535	2.9
131.08575	3.3
135.08067	14.1
137.05971	11.9
141.09085	1.9
149.05972	2.0
149.09612	9.8
151.07568	4.2
153.07849	2.6
153.09108	61.6
155.07065	7.8
167.07051	14.6
167.10661	6.0
169.08609	82.9
177.05467	3.5
177.09142	2.9
181.12231	1.7
185.11746	24.7
185.13271	1.5
195.10176	66.7
209.11699	2.0
227.12628	3.6
227.17758	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	227.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10223	1.4
53.03925	2.0
53.94831	1.5
55.05510	16.1
57.03439	3.8
59.05021	1.9
59.11203	1.7
63.25464	1.8
65.96030	1.8
66.10059	1.4
67.05498	5.8
67.17285	1.5
68.99792	13.4
69.03420	3.7
69.07060	4.4
71.04948	1.7
72.93801	1.9
79.05488	6.0
80.17313	1.6
81.07061	14.8
83.04965	2.1
83.08617	37.0
83.09092	1.9
85.02875	1.9
85.10178	3.8
91.05473	27.8
93.07037	15.4
95.04964	36.2
95.08614	1.4
98.23514	3.3
99.08075	2.2
100.11248	12.9
101.02376	8.9
105.07027	2.3
107.08588	50.0
109.06523	31.8
109.10140	9.6
111.04474	2.1
111.08077	100.0
112.08427	2.7
113.96396	4.4
117.05492	2.4
119.03432	6.1
121.10118	2.2
123.08052	3.3
125.09628	17.7
127.07555	2.9
131.08588	1.9
135.08060	15.2
137.05972	10.2
139.12321	1.5
141.09012	2.4
149.05978	1.8
149.09598	9.3
151.07568	5.3
153.05504	1.7
153.09105	60.5
155.07004	7.9
167.07077	7.4
167.10680	5.9
169.08604	90.6
177.05489	3.4
177.09132	3.9
185.11725	25.1
195.10155	63.2
200.99236	1.7
209.11728	3.3
227.12767	4.0
227.17671	3.9
228.23201	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	227.1279
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
55.01861	8.6
55.05506	16.3
57.03432	3.5
67.05514	18.3
69.03428	3.6
69.07057	11.1
71.04990	5.8
72.93792	3.7
79.05499	23.2
81.03437	2.9
81.07066	24.7
83.04984	4.7
83.08604	12.8
91.05475	10.4
93.07047	43.2
95.04946	10.5
95.08608	44.0
97.02866	4.8
97.06529	4.9
99.04446	4.5
100.11251	16.1
103.05447	5.4
105.07019	4.7
107.04949	13.2
107.08601	27.3
109.06539	4.4
109.10150	4.8
111.04426	3.5
112.93216	3.5
117.07001	9.5
119.08555	9.4
121.06497	15.1
121.10136	11.1
125.05998	3.7
131.97459	3.3
133.10124	4.4
135.11697	48.7
137.05980	3.5
145.10117	23.8
149.05972	7.2
163.11183	81.2
167.07039	39.0
177.05437	12.3
181.12283	14.1
193.94911	2.9
209.08049	5.3
209.16595	3.3
227.12752	100.0
227.17702	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	227.1642
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03933	2.6
53.40720	1.5
55.01860	3.6
55.05513	16.6
55.33052	1.3
57.03434	11.8
57.07062	3.8
67.05505	76.4
69.07067	20.8
70.92245	1.8
71.04634	2.3
71.04993	30.3
71.08617	1.6
73.02917	2.1
79.05492	37.1
81.03401	2.5
81.07058	100.0
82.07380	2.0
83.04994	8.3
83.08623	16.9
85.06534	6.8
91.05489	21.6
93.07043	63.2
95.04964	6.8
95.08603	32.7
95.09196	1.9
97.06525	13.4
97.10130	2.3
99.08092	4.5
100.11257	3.9
105.04520	1.9
105.07023	5.5
107.08595	32.7
109.06519	2.8
109.10126	2.3
111.08103	9.6
117.07018	12.1
119.08552	2.3
121.06512	1.7
121.10151	15.8
123.11692	2.2
127.45035	1.4
131.08582	16.3
133.10124	12.6
135.08026	2.8
135.11699	19.7
139.11137	2.3
147.11674	2.3
149.13254	53.5
151.11197	1.6
159.11694	29.3
167.14418	2.4
177.12733	13.3
190.35558	1.4
195.13812	19.1
213.14803	2.1
220.90408	1.5
227.12709	2.6
228.23055	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62144	0.6
53.03941	1.2
55.01864	1.0
55.05510	7.0
56.02650	1.2
57.03439	0.9
58.06793	0.5
65.03927	0.6
67.05506	22.2
68.69135	0.5
69.07069	2.6
69.78938	1.6
71.04994	100.0
72.05313	0.8
79.05495	9.4
81.03413	0.7
81.07060	27.5
83.04955	1.5
83.08611	3.5
85.06546	2.7
91.05477	4.7
93.07047	15.0
93.07607	1.0
95.04958	1.2
95.08604	13.8
97.06541	3.2
97.10179	5.8
99.08103	1.0
100.11274	2.8
105.07054	2.1
107.08591	7.1
109.06562	0.9
109.10172	2.6
110.44666	0.6
111.08112	1.9
113.06010	1.3
117.07029	3.7
120.12800	0.5
121.10166	2.5
125.09630	4.7
127.07531	0.8
131.08580	4.1
133.10132	4.1
135.08043	1.9
135.11694	10.2
149.13257	5.9
159.11697	8.5
174.37177	0.6
177.12762	3.7
185.44666	0.6
189.11235	2.8
195.13860	2.2
209.15421	1.7
225.61717	0.6
227.12744	11.0
227.14645	0.7
227.18047	1.4
228.23404	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.21513	1.3
50.58506	1.5
52.14985	1.4
52.57136	1.6
55.05516	11.9
57.07069	3.5
57.30593	1.5
59.05010	2.2
67.05508	5.0
68.99780	1.7
69.03430	28.9
69.07079	6.7
70.95482	2.1
71.04996	3.5
79.05497	4.2
81.07055	6.3
83.04984	15.6
83.08634	7.0
85.06554	4.1
91.05492	3.5
93.07054	8.2
95.04967	7.1
95.08604	8.0
97.06548	2.6
97.10182	7.8
99.04412	1.8
99.08090	9.5
102.69093	1.5
105.07052	2.3
107.08591	17.3
109.06515	3.6
109.10153	7.2
111.08088	6.9
113.06001	5.1
121.06466	1.7
121.10145	12.1
123.08074	2.6
125.05982	1.6
125.09635	100.0
128.22583	1.7
131.08583	2.5
133.10138	7.0
135.08057	6.2
135.11711	1.8
137.09621	1.5
139.07559	4.1
139.11183	2.7
147.11681	2.0
149.09625	33.7
149.13298	4.8
151.11182	16.4
153.09103	18.9
154.09892	2.5
163.14845	5.1
171.10217	2.5
173.13278	3.5
177.34309	1.4
191.14311	18.0
209.15376	44.3
224.00636	1.4
227.16415	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	227.1643
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.01868	1.4
55.05492	4.7
57.03437	7.0
57.07067	2.6
59.04985	4.5
65.57389	1.3
67.05525	7.2
69.03415	4.4
69.07064	10.7
69.46210	3.0
69.46590	3.0
69.75504	1.3
71.04628	1.9
71.04989	25.9
72.36629	1.2
73.06528	1.8
75.04480	1.7
79.05487	8.3
81.07052	13.5
83.04973	2.5
83.08585	6.5
83.85265	1.2
85.06537	12.2
88.84370	1.3
91.05466	6.6
93.07044	21.2
93.10754	1.4
95.04965	100.0
95.08598	14.6
97.06530	21.3
97.10149	4.2
99.04457	16.0
99.08094	32.5
100.11256	11.5
104.78511	1.4
105.07018	15.8
107.07932	1.7
107.08592	23.7
107.34032	1.3
109.06515	26.9
109.10159	12.1
111.08069	8.2
113.05997	2.4
113.09612	3.3
113.96432	1.5
115.07545	6.2
117.07014	1.4
119.08585	9.7
121.06432	2.0
121.10135	35.1
123.08044	3.7
123.11713	7.7
125.08984	1.1
125.09635	12.5
127.07527	13.9
129.56926	1.3
131.08592	7.6
133.10124	39.9
133.49556	1.3
135.08028	5.6
135.11705	8.3
137.05995	1.6
137.09590	6.2
139.07491	1.3
139.11186	11.8
143.10667	7.5
145.10094	2.1
147.11679	12.1
149.09579	2.6
149.13237	8.6
151.11156	5.0
153.05396	2.5
153.09105	31.1
155.99295	1.4
163.14845	7.4
165.12746	2.1
167.07054	9.9
171.10168	17.0
173.13277	19.8
177.05463	3.7
181.08603	2.0
191.14284	15.8
209.08032	2.1
209.15283	21.9
227.16354	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.7
55.05512	4.5
56.02666	1.7
57.07085	1.0
65.03941	0.8
67.05508	20.1
69.07066	4.1
71.04995	100.0
71.45795	0.6
79.05497	9.6
81.07059	29.5
82.24464	0.7
83.04986	1.1
83.08615	3.0
85.06565	2.4
91.05481	5.9
91.05933	0.6
93.07050	15.3
95.05003	1.1
95.08611	12.3
97.06532	3.6
97.10194	1.0
99.08105	0.7
100.11272	2.9
105.07027	2.4
107.08599	8.0
107.16225	0.6
109.06517	1.0
109.10172	1.9
111.08080	1.7
113.06032	1.4
117.07053	3.9
119.08578	0.8
121.10148	2.4
125.09658	2.0
131.08530	3.9
133.10135	4.7
135.08078	1.6
135.11703	9.4
149.13283	6.3
157.44173	0.7
159.11703	7.1
177.12808	2.6
186.22231	1.2
195.13765	3.4
197.14012	0.8
209.15416	2.3
225.70929	0.7
227.12744	3.8
227.18080	1.3
228.23247	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.128
Annotation	Ametryn
Peak:m/z	Relative Intensity
52.52644	0.3
52.63614	0.3
53.31417	0.2
55.05511	1.6
56.06012	0.2
58.55231	0.3
61.84674	0.2
61.88427	0.2
61.96422	0.3
67.05498	2.8
68.02512	6.8
69.07063	1.3
69.81139	0.8
71.06117	8.3
74.00671	2.1
79.05462	0.4
79.83073	0.3
81.07044	2.5
83.08636	1.8
85.05160	1.2
85.07645	0.5
91.03304	12.0
91.05497	0.4
93.07051	0.7
95.08604	5.5
96.05616	16.4
97.06533	0.5
97.10162	1.0
102.03761	0.8
105.07053	0.5
107.08560	0.3
109.10168	2.8
110.04673	0.3
111.08098	0.4
113.08267	1.4
116.02805	7.6
119.08597	0.5
133.10124	0.7
138.07751	5.6
138.10271	2.4
144.05901	4.1
147.11615	0.4
152.67805	0.3
158.04959	4.8
175.14781	2.7
186.08087	69.9
193.15823	1.4
228.12779	100.0
228.23149	2.2
229.13101	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01871	5.0
55.05511	16.0
56.05032	6.1
57.03429	6.5
57.07085	3.5
58.06594	4.2
60.04526	23.0
67.05509	39.3
68.05038	3.3
69.07055	5.8
69.21431	2.9
69.53448	8.6
70.06599	28.2
71.04993	17.8
72.04510	13.7
77.03944	3.7
79.05044	4.7
79.05495	79.0
80.04991	3.4
81.03423	3.1
81.07056	32.8
82.06575	14.7
82.26437	2.7
83.04981	17.4
84.04527	6.5
84.08130	5.4
85.06567	2.6
86.06092	3.5
90.58384	2.5
91.05480	59.8
93.07053	53.1
94.06557	4.3
95.04959	9.6
95.08604	10.6
96.04485	10.2
96.08118	17.7
97.02914	4.6
97.06544	13.0
98.06065	4.9
98.09650	3.2
105.07028	82.6
106.06546	6.1
107.04974	17.8
107.08588	22.8
108.08091	6.8
109.06515	11.0
109.10137	2.9
110.06042	5.6
110.09697	13.6
111.10493	5.8
112.07587	3.2
114.05516	7.2
114.09147	6.3
116.52782	2.7
117.06995	10.3
119.08591	32.6
120.08111	6.4
121.06519	7.6
121.10145	10.5
122.09708	3.2
123.08031	2.7
128.07033	6.6
129.06998	12.3
131.08565	20.0
133.06500	29.7
133.10127	70.2
135.08069	3.0
136.11220	3.2
137.09642	4.0
142.07784	6.6
145.10118	8.5
147.04408	3.5
147.08076	5.3
147.11671	27.0
149.13225	5.8
152.05916	2.9
157.10149	9.5
162.12810	5.1
163.11287	2.9
164.14349	4.2
166.15955	5.3
168.07391	5.8
174.12698	3.1
175.11195	28.4
180.13861	9.3
191.31975	2.9
192.13863	17.6
193.12244	12.6
198.14977	10.7
200.69774	2.9
210.14914	75.0
210.16843	5.8
228.15961	100.0
228.23206	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2323
Annotation	Halaminol C
Peak:m/z	Relative Intensity
53.03942	0.4
55.05510	11.8
56.05042	2.1
57.03438	4.8
57.07074	4.7
58.06606	2.7
60.04509	0.4
67.05166	0.4
67.05507	7.7
69.07069	11.0
69.17919	2.2
70.06592	10.2
71.04678	0.3
71.04996	3.6
71.08636	2.3
72.08141	0.4
74.06066	0.8
79.05486	1.6
81.07057	12.6
83.08618	6.7
84.08139	2.4
85.06536	1.2
85.10179	0.9
92.20027	0.3
95.08611	12.1
97.10167	4.2
98.09701	0.6
98.22710	0.8
102.09185	0.9
109.10167	5.4
111.11710	1.1
116.10703	0.5
116.90551	0.3
123.11714	1.0
128.14334	0.6
128.38358	0.3
142.15889	0.4
158.71712	0.4
170.19052	0.6
193.11060	0.3
193.19553	0.6
210.22160	20.0
228.23219	100.0
229.23642	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1225
Annotation	Bisphenol A
Peak:m/z	Relative Intensity
50.72674	0.5
51.52163	0.5
53.03952	5.6
53.61029	0.5
55.01864	0.8
55.05499	2.2
57.07071	0.7
65.03896	0.5
67.05499	3.4
69.03427	19.2
69.07076	0.8
69.23990	1.8
69.24400	1.3
70.06576	0.7
78.41554	0.5
79.05479	1.3
81.07046	2.1
83.04970	2.6
90.27670	0.5
91.05470	4.6
93.03416	1.9
93.07042	5.2
95.04955	2.0
95.08612	0.9
96.54630	0.5
98.22656	1.0
105.07027	4.8
107.08565	0.7
109.02875	18.2
109.06496	1.2
109.10129	0.7
115.05435	1.5
117.07012	2.5
119.08570	7.5
121.06503	6.3
121.10129	1.3
128.06253	2.4
129.06985	3.2
130.07791	1.7
131.08565	13.7
133.06491	0.6
133.10129	9.2
135.08044	1.0
141.06972	1.7
142.07755	2.1
143.08556	10.9
144.09363	5.2
145.06451	2.7
145.10121	9.1
146.07146	0.5
146.91791	0.9
147.08118	0.7
151.08658	0.7
153.06927	2.5
154.07808	0.6
155.08539	5.4
156.09300	0.9
157.06566	0.7
157.10098	2.1
158.07263	2.0
158.10915	12.5
159.08049	7.9
159.11702	10.2
160.08821	0.7
161.09660	0.8
164.49648	0.6
167.08597	0.8
168.09338	4.2
169.10155	1.3
170.10901	6.1
171.08044	6.2
171.11662	1.1
172.08849	8.2
173.09625	33.9
173.13249	39.8
175.07481	0.9
178.07895	0.6
181.06470	2.3
183.11691	8.0
185.09669	1.4
185.13249	2.1
186.09128	0.5
186.10394	21.9
187.07661	2.6
187.11172	57.4
188.11520	0.8
189.09067	0.6
193.10062	1.4
195.08002	0.7
196.08832	5.4
199.07559	1.2
201.12737	54.8
211.11154	9.8
211.22519	0.8
214.09901	3.1
228.23219	6.5
229.12231	100.0
229.23552	9.5
230.12491	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20403	1.6
55.05504	7.1
55.52858	1.9
57.03439	15.8
57.98497	1.5
59.04995	5.4
65.03943	2.0
65.07527	1.9
67.05507	100.0
67.54832	2.2
69.07070	2.3
69.23462	10.0
70.06596	3.0
71.04995	3.1
72.04498	2.1
81.07056	14.6
83.08617	6.9
85.06549	4.5
87.28139	2.3
91.05491	4.2
93.07053	4.1
95.08609	7.3
98.23436	4.0
109.10159	86.7
111.08075	2.7
116.07128	2.4
119.08574	6.3
137.09615	3.3
144.52959	1.9
155.10715	5.6
173.11761	32.6
229.12210	2.0
229.14240	34.9
229.19438	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05514	9.7
57.03441	19.6
57.07077	6.2
57.69244	0.5
58.06594	3.0
59.05001	5.8
60.08167	20.1
61.08511	0.7
62.06074	0.6
64.63531	0.6
65.03941	1.5
67.05508	100.0
68.05822	0.6
69.07077	2.1
69.96443	0.7
69.96790	1.2
71.05003	3.1
71.08640	3.0
79.05499	1.7
81.03451	0.6
81.07059	13.4
83.08621	7.0
85.06534	2.8
85.10212	0.9
88.43060	0.5
91.05486	6.1
93.07054	3.6
95.05027	0.7
95.08611	5.2
103.03925	0.9
107.08617	2.5
109.10161	87.1
110.10499	0.8
111.08076	3.5
119.08596	4.9
137.09598	4.5
146.91850	1.1
155.10692	7.3
173.11746	25.8
175.21968	0.6
228.26869	69.9
229.14354	41.6
229.19254	1.2
229.23611	1.0
229.27208	31.4
230.14691	0.8
230.24742	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	229.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	9.2
57.03441	18.5
57.07076	4.8
58.06590	0.7
59.05003	5.0
60.08167	12.2
65.03939	1.4
67.05507	100.0
68.05856	0.5
69.07073	2.0
70.70481	0.7
71.04990	3.7
71.08638	1.7
72.14059	0.5
79.05510	1.5
81.07058	13.1
83.08620	6.6
85.06544	3.0
85.10210	0.6
91.05484	5.7
93.07058	3.1
95.08614	4.8
99.08112	0.6
103.03978	0.8
107.08595	1.6
109.10161	80.5
111.08086	2.9
119.08580	5.1
123.35225	0.5
137.09619	4.2
146.31401	0.5
155.10664	10.8
173.11737	24.6
228.26862	46.5
229.14365	33.9
229.27200	22.1
230.24811	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	229.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71121	0.4
55.05517	8.9
57.03441	19.2
57.07076	4.6
58.06610	1.0
59.05009	5.7
60.08167	12.5
61.08493	0.6
65.03927	1.3
67.05508	100.0
69.07072	2.1
69.29189	2.3
71.04996	3.4
71.08648	2.4
75.85552	0.4
79.05511	1.5
81.07063	13.6
83.08630	6.9
83.09113	0.9
85.06567	2.6
91.05473	5.8
93.07031	2.9
95.04984	1.0
95.08616	5.2
98.17778	0.5
99.08132	0.8
103.03950	1.1
105.07060	0.6
107.08597	1.9
109.10161	87.6
110.10526	1.2
111.08095	3.5
119.08582	6.4
127.11180	0.9
137.09630	4.2
146.91806	0.8
155.10669	8.4
173.11743	27.6
228.26869	45.1
229.14345	39.8
229.19295	0.8
229.27216	23.1
230.14642	0.6
230.24794	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.59492	0.5
54.29656	0.5
55.05515	8.9
57.03439	18.1
57.07074	1.4
59.05008	5.7
65.03954	1.5
67.05508	100.0
69.07079	2.2
69.78470	1.9
71.04989	4.3
73.02953	0.5
79.05499	1.4
79.34985	0.5
80.38070	0.5
81.07062	13.5
83.08617	7.6
85.06556	3.1
85.06992	0.5
86.02978	0.5
91.05485	5.7
93.07072	2.8
95.08607	5.6
99.08166	0.7
103.03947	2.1
107.08586	1.6
109.10162	78.4
111.08088	3.0
113.06111	0.7
119.08579	6.2
119.36140	0.5
126.90540	0.5
127.11224	0.6
137.09637	4.0
146.91827	0.6
155.10677	7.8
173.11743	24.9
174.13974	0.5
185.51443	0.5
229.14345	37.2
234.25829	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23014	0.3
55.05507	0.7
57.07082	0.3
59.04995	0.3
67.05158	0.6
67.05504	7.4
68.99782	0.4
69.07066	8.1
70.60125	0.5
71.04997	3.4
75.04472	0.7
77.51793	0.3
81.07057	3.3
81.52903	0.3
83.04981	0.5
84.75841	0.3
85.06540	0.7
91.05468	0.8
93.07034	2.2
95.02188	0.2
95.04967	7.8
95.08600	5.6
100.25840	0.3
101.06022	0.6
105.07018	1.3
107.08604	1.3
109.06493	0.8
109.10154	100.0
110.10449	0.7
111.08052	0.3
119.08591	4.1
121.06502	2.6
123.11705	11.5
127.11189	40.1
128.11522	0.3
131.08560	1.0
133.10126	5.5
135.11639	0.5
137.09610	8.3
138.77382	0.3
139.07536	0.7
143.08615	1.3
145.10141	0.6
146.07312	0.5
146.91811	0.4
151.11171	2.5
155.10648	5.8
155.89676	0.3
159.11664	0.4
161.08231	0.3
161.09610	6.8
169.12245	0.8
173.11739	7.3
173.13150	0.3
175.84816	0.3
179.10660	12.4
181.82903	0.2
183.13803	0.7
197.11720	11.5
211.13249	2.2
219.47800	0.3
229.12173	0.4
229.15953	0.4
229.19531	0.8
229.23369	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1437
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
53.03964	0.5
53.91843	0.5
55.05513	7.9
57.03439	20.1
57.07079	1.0
59.05005	5.6
65.03946	1.3
67.05505	100.0
69.03423	0.7
69.07065	2.3
69.42926	0.4
69.78239	0.5
69.78591	1.5
71.04983	3.0
73.45038	0.4
79.05495	1.3
81.07057	12.3
83.08630	7.0
85.06541	2.6
87.04494	0.4
91.05481	4.8
93.07052	2.6
95.05000	0.8
95.08616	5.8
97.06455	0.6
98.23338	0.6
99.08092	0.8
103.03953	2.4
107.08593	1.8
109.10160	87.7
111.08099	2.2
116.98623	0.5
119.08588	6.8
120.67628	0.4
128.50751	0.4
137.09624	3.8
146.91832	0.5
155.10675	8.3
173.11737	26.7
174.12074	0.5
229.14339	43.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
50.30365	0.4
55.05511	8.1
57.03439	17.0
57.07066	1.3
59.04999	5.4
65.03942	1.5
66.42471	0.4
67.05505	100.0
68.05798	0.6
69.03455	0.5
69.07072	2.8
69.98338	1.0
71.04992	3.0
75.00131	0.4
75.00547	0.4
79.05493	1.5
81.06570	0.7
81.07054	12.3
83.08614	7.0
85.06554	3.1
91.05488	5.9
93.07056	3.2
95.04987	0.6
95.08606	5.9
103.03954	2.2
106.03804	0.4
107.08611	1.5
109.10156	86.1
111.08073	3.5
119.08579	5.6
125.41120	0.4
127.11214	0.7
137.09615	3.6
146.91858	1.0
151.08557	0.6
155.10661	5.5
164.92870	0.8
173.11736	28.7
194.74838	0.6
203.89006	0.5
228.23146	1.0
229.14333	39.0
229.23470	1.3
230.24811	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1438
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05511	8.4
56.96552	0.8
57.03185	1.2
57.03439	17.8
57.07067	1.5
59.05008	4.9
64.93739	0.7
65.03936	1.7
67.05507	100.0
69.03422	1.0
69.07057	2.3
70.06605	1.5
71.04996	4.4
72.08172	0.7
72.99957	0.8
79.05480	1.7
81.07067	13.1
81.80321	0.8
83.08620	6.6
85.06551	3.8
86.09716	1.1
91.05482	6.5
93.07030	3.6
95.08604	5.4
99.08099	0.9
100.11259	1.9
107.08598	2.0
109.10159	84.1
111.08077	2.9
119.08572	5.9
133.00867	0.8
137.09624	4.5
146.91803	1.6
155.10663	6.7
170.15385	1.4
173.11746	32.0
173.16518	0.9
176.96126	0.8
205.98770	1.0
227.64644	0.9
228.23207	1.0
229.11971	1.9
229.14323	38.0
229.20340	1.1
229.23427	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01875	0.5
56.96568	2.2
57.03443	0.3
58.06368	0.2
58.06599	5.9
59.07368	1.2
60.08164	7.8
60.08469	0.4
67.05500	0.2
68.05020	1.2
70.06592	33.6
72.07813	0.2
72.08169	0.8
84.04505	0.3
84.08142	1.8
86.09696	0.4
94.93024	0.4
96.08128	1.4
97.99232	0.2
98.06055	0.8
98.97575	2.1
99.00801	0.3
101.00884	0.7
114.05529	4.1
114.09147	1.5
116.07092	1.0
116.98619	1.9
118.07426	0.2
119.01945	1.5
124.07590	3.3
126.09179	0.6
131.01854	0.3
134.99673	0.6
137.03003	0.3
142.08632	30.6
145.96689	0.3
160.06419	0.5
163.97643	0.3
169.86438	0.2
170.08101	1.3
186.99240	0.4
187.00830	0.4
189.04382	0.3
200.83546	0.2
205.00191	0.5
205.02002	0.3
205.98706	1.0
206.07027	0.6
207.90779	0.2
211.09265	0.2
212.07718	0.2
215.00317	0.2
224.08072	1.2
228.92830	0.3
229.15466	100.0
230.06789	0.3
230.15820	0.9
248.08041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
58.06596	5.0
59.07381	0.8
60.08162	7.1
68.05018	1.0
70.06590	31.6
70.62925	0.6
70.78680	0.4
72.08138	0.8
78.95634	2.4
89.02245	0.4
92.04761	0.4
94.93017	7.8
96.08125	0.8
97.33035	0.4
98.06059	0.6
112.89610	1.1
114.05535	2.7
114.09137	1.7
116.07066	0.7
124.07597	3.3
126.09160	1.0
135.45537	0.4
142.08633	31.2
161.94800	0.6
163.80675	0.4
166.77634	0.4
170.08081	1.3
174.41916	0.4
202.94897	2.0
228.92795	6.8
229.03186	1.9
229.15466	100.0
230.15715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98631	0.5
55.79708	0.3
56.96567	29.6
58.06596	0.8
60.08156	1.0
62.08309	0.4
70.06590	4.6
70.21077	0.8
71.06934	1.0
71.95271	0.8
72.96042	0.8
74.97606	0.8
82.86812	0.3
83.97619	0.6
84.08154	0.6
86.09715	3.4
88.63825	0.5
96.08096	0.4
98.97585	100.0
107.91711	0.3
110.97576	0.6
116.00246	1.9
116.98624	48.4
119.01887	0.3
124.00666	0.7
126.02309	1.6
128.98618	0.5
134.01251	1.3
134.99661	14.4
140.00186	0.6
140.03812	2.8
142.05411	3.7
142.08630	3.7
143.08986	1.6
144.03326	1.2
153.00673	1.3
153.02072	0.3
158.04924	3.2
160.06470	5.2
170.04837	1.9
171.03268	3.1
176.05913	0.7
178.07512	0.8
184.56918	0.4
188.05943	3.1
188.10184	0.4
189.04359	10.8
202.07474	1.1
203.05789	0.5
206.06999	8.4
207.05446	4.5
212.05983	1.2
220.08635	0.4
224.08072	7.8
229.15488	7.5
230.07010	14.4
230.15804	8.8
231.05354	1.9
248.08072	23.6
249.06377	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1024
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
55.05522	1.1
55.50195	0.7
67.05502	1.6
68.73576	0.7
69.03445	1.0
69.07070	100.0
69.09796	0.6
70.02941	3.5
70.06595	1.1
74.02440	26.4
81.07059	1.2
82.85449	0.6
86.06081	0.8
88.03993	43.7
92.05029	1.4
95.42291	0.7
97.06528	6.2
98.06072	1.4
98.97590	1.2
112.67506	0.7
114.09166	2.4
115.07623	0.8
116.03458	22.5
116.98582	1.0
120.04491	2.3
124.07594	2.4
125.05986	1.3
126.06638	0.9
127.03918	0.8
134.04492	93.9
134.99706	1.2
140.10657	1.5
152.07065	11.5
166.08646	10.4
170.08054	1.1
170.30823	0.7
180.06557	1.5
184.05728	1.6
184.09692	9.9
194.08202	2.1
198.07538	4.3
212.09192	12.2
212.12636	0.6
212.16371	1.1
230.10233	61.3
230.17616	1.3
230.24547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1542
Annotation	Pronethalol
Peak:m/z	Relative Intensity
55.05510	9.0
57.03436	6.8
57.69285	3.2
63.02386	3.9
65.03938	4.1
67.05515	14.6
70.06595	33.1
71.45586	4.1
71.46082	3.6
72.04527	3.2
79.05502	12.4
81.07059	10.1
82.06583	4.3
84.08146	9.2
86.06078	6.9
87.02370	7.8
89.03925	13.4
91.05478	23.9
93.07034	8.5
95.04979	6.8
95.08611	10.7
98.75256	4.0
98.97586	4.4
103.05485	7.2
104.05004	8.6
105.07054	5.6
109.10165	4.3
113.03898	6.6
115.05453	65.8
116.04980	6.5
116.06240	5.0
117.07030	10.2
118.06612	4.0
127.05473	7.8
128.06229	35.2
129.06979	20.2
130.06577	7.1
134.52275	3.8
138.60002	3.3
139.05434	18.0
141.06998	18.9
142.07913	5.1
143.07344	6.2
143.08438	5.0
145.06503	14.2
152.06209	40.5
153.06998	26.8
154.06607	6.4
154.07784	4.9
155.06085	11.6
155.08609	5.9
156.08084	7.4
165.07034	41.4
166.07733	3.9
167.08562	4.9
168.08124	7.6
169.06433	3.5
170.09717	7.7
178.07809	6.0
179.08527	14.4
182.09607	8.1
196.11256	7.9
212.14346	100.0
212.16348	6.2
212.20148	7.2
230.10217	8.3
230.15445	58.9
230.21169	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	230.1752
Annotation	N-decanoylglycine
Peak:m/z	Relative Intensity
55.01857	1.0
55.05509	2.2
56.05036	0.5
57.03436	4.8
58.06577	1.5
67.05508	7.0
69.07068	3.9
69.64850	1.9
70.06592	15.7
71.04975	2.4
74.02486	0.5
74.97233	0.4
75.04475	1.0
79.05099	0.6
79.05500	5.8
81.06622	0.8
81.07054	10.8
82.06562	1.9
83.04964	0.7
83.08595	0.9
84.04488	1.8
84.08134	2.2
85.02869	0.5
85.06540	1.3
91.05490	3.9
93.07047	15.8
94.06557	0.8
95.04993	1.0
95.08025	0.7
95.08601	11.0
96.08141	2.3
97.06512	1.9
98.06043	1.1
98.09653	0.9
99.04453	0.5
105.07027	2.8
107.08592	4.0
109.06491	0.6
109.10139	1.8
110.09688	2.9
111.08076	1.5
112.07607	0.7
117.07024	3.5
119.08556	4.2
121.06492	3.4
121.10155	4.0
123.08054	1.8
127.07589	0.5
131.08563	2.2
133.10141	3.1
134.04459	0.6
135.08037	2.4
135.11693	9.6
137.09625	0.5
138.09138	0.7
139.07541	2.4
147.04411	2.7
147.11635	0.5
148.11179	0.7
149.09619	0.6
149.13251	4.7
151.11273	0.5
152.14343	0.6
153.09164	1.0
156.08035	0.7
159.11700	4.8
166.15875	1.1
175.38295	0.7
176.14389	1.0
177.12753	8.8
184.13319	0.5
192.10878	0.5
194.15387	12.8
194.17181	0.6
195.13800	7.5
212.16446	100.0
213.16762	1.2
217.63322	0.5
230.09846	1.4
230.17506	71.9
231.17950	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
56.05018	2.4
57.03430	6.1
58.06582	2.6
63.34959	1.0
67.05161	1.5
67.05501	20.6
69.03431	1.7
69.07065	4.4
69.37245	4.3
70.06235	1.7
70.06592	25.7
71.04996	7.6
72.08117	1.0
79.05491	14.2
80.05009	0.9
81.03413	1.6
81.07054	21.9
82.06557	2.0
83.04981	2.4
83.08620	4.2
84.04487	2.7
84.08138	5.6
85.06528	2.8
91.05482	7.8
93.07047	29.0
94.06551	2.5
95.04947	2.9
95.08609	19.8
96.08130	3.4
97.06518	1.7
97.10159	2.4
97.44759	0.9
98.06040	4.3
103.05461	1.7
105.07018	5.0
107.04943	2.6
107.08595	12.2
109.06428	1.3
109.10141	6.2
110.09696	6.7
111.08054	2.4
112.07568	1.5
116.98579	1.0
117.07014	3.1
119.08596	4.8
121.06474	2.8
121.10169	4.8
123.08077	2.0
124.11220	1.3
131.04927	7.6
131.08566	3.5
133.10117	4.4
135.08047	3.4
135.11690	16.6
137.09607	1.8
139.07555	1.1
147.04387	2.6
149.13278	13.1
150.12686	1.0
159.11674	6.6
166.15924	4.9
167.14238	1.7
168.17476	3.4
173.07512	1.0
177.12720	6.9
194.15388	20.8
195.13792	4.3
202.12291	2.7
212.16452	100.0
213.06531	1.1
230.09604	3.6
230.17505	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	6.0
56.05018	2.4
57.03430	6.1
58.06582	2.6
63.34959	1.0
67.05161	1.5
67.05501	20.6
69.03431	1.7
69.07065	4.4
69.37245	4.3
70.06235	1.7
70.06592	25.7
71.04996	7.6
72.08117	1.0
79.05491	14.2
80.05009	0.9
81.03413	1.6
81.07054	21.9
82.06557	2.0
83.04981	2.4
83.08620	4.2
84.04487	2.7
84.08138	5.6
85.06528	2.8
91.05482	7.8
93.07047	29.0
94.06551	2.5
95.04947	2.9
95.08609	19.8
96.08130	3.4
97.06518	1.7
97.10159	2.4
97.44759	0.9
98.06040	4.3
103.05461	1.7
105.07018	5.0
107.04943	2.6
107.08595	12.2
109.06428	1.3
109.10141	6.2
110.09696	6.7
111.08054	2.4
112.07568	1.5
116.98579	1.0
117.07014	3.1
119.08596	4.8
121.06474	2.8
121.10169	4.8
123.08077	2.0
124.11220	1.3
131.04927	7.6
131.08566	3.5
133.10117	4.4
135.08047	3.4
135.11690	16.6
137.09607	1.8
139.07555	1.1
147.04387	2.6
149.13278	13.1
150.12686	1.0
159.11674	6.6
166.15924	4.9
167.14238	1.7
168.17476	3.4
173.07512	1.0
177.12720	6.9
194.15388	20.8
195.13792	4.3
202.12291	2.7
212.16452	100.0
213.06531	1.1
230.09604	3.6
230.17505	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	23.9
58.06590	6.0
59.07370	2.0
60.08166	4.7
63.98362	1.7
70.06597	29.4
71.06919	12.0
76.63769	1.8
84.08147	4.6
87.92633	1.8
93.82992	1.8
96.92832	2.0
97.25491	1.9
98.06001	1.8
98.97581	5.2
103.00643	6.2
111.05602	2.0
112.89582	7.7
114.09187	6.3
115.05860	2.6
116.07095	2.4
116.98626	3.2
119.01954	4.2
121.01663	21.4
134.99637	2.3
139.02704	8.1
140.98555	6.1
142.08681	13.4
142.96584	2.6
143.09024	18.7
144.09251	2.4
146.99619	3.4
158.99646	7.2
161.01245	3.2
161.02951	2.3
171.08487	2.3
186.99147	14.1
189.00591	5.5
205.00212	8.7
207.01761	2.3
213.05882	2.1
213.12445	2.9
217.00053	5.9
230.15819	100.0
230.98483	6.0
231.06905	3.3
231.15953	20.7
235.33249	2.7
248.99150	10.4
253.84523	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	231.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68635	0.8
52.28856	0.8
53.03941	1.9
55.01874	3.5
55.05515	2.1
57.03414	0.9
59.04995	1.6
61.06563	2.2
65.03941	1.0
67.05513	0.9
68.02660	1.9
68.99788	1.9
69.03425	9.0
69.07080	1.9
70.07397	1.8
70.32433	1.8
71.04989	1.5
72.05760	1.1
72.08150	2.3
75.04478	57.3
81.03408	5.4
82.04208	1.3
83.01353	1.9
83.04967	5.0
85.02915	5.9
85.06541	1.1
88.03964	1.3
93.07046	0.9
95.01309	1.1
95.05006	1.2
96.02101	1.2
97.02892	13.8
98.03669	8.2
98.23430	0.9
98.97633	1.0
99.04459	8.8
101.06013	11.5
103.03917	1.5
105.05500	23.8
109.02874	9.8
111.04449	7.1
113.02364	23.6
113.06023	2.7
114.03191	1.1
115.03963	4.6
125.02351	18.8
126.03134	12.2
127.03908	1.2
128.04694	30.8
129.05479	13.8
134.04483	2.2
135.04843	1.9
139.03906	3.8
139.59436	0.8
140.04700	1.2
141.01822	9.5
141.05460	34.8
142.02527	1.1
143.03406	4.4
143.07011	6.5
153.01840	2.7
155.03363	1.6
156.04163	49.2
157.04959	32.4
164.41672	0.8
167.03380	1.6
170.02119	2.0
171.06520	100.0
173.08171	1.0
182.32172	1.0
184.03667	3.5
188.06805	9.4
199.06015	58.4
203.09158	10.1
231.08656	15.3
231.10934	2.9
231.14955	4.1
231.17279	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1381
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.01859	1.3
55.05495	2.8
67.05508	2.9
69.03428	47.5
69.07062	2.2
70.58057	1.0
79.05494	7.3
81.03410	1.7
81.07053	6.7
83.04964	2.2
85.02876	1.4
85.06563	1.0
87.04479	5.9
91.05483	7.6
93.07037	7.2
95.04943	1.7
95.08589	3.5
97.02876	1.1
97.06533	1.4
103.05453	1.4
105.04513	1.5
105.07027	12.6
107.04929	3.4
107.08575	3.2
109.06498	2.3
111.04436	3.1
114.16432	1.0
115.05386	1.1
117.07004	3.1
119.08573	14.4
121.06491	2.7
121.10117	3.4
123.08080	1.4
125.05988	1.2
128.06212	8.6
129.07016	6.3
130.07822	1.5
131.08548	6.0
133.06464	3.0
133.09175	1.4
133.10130	17.8
135.07997	1.7
141.06950	2.7
142.07773	6.7
142.47218	1.0
143.08562	14.0
145.06499	2.0
145.10124	15.3
147.08076	5.9
153.06969	1.5
155.08545	8.9
156.09334	8.4
157.06502	1.8
157.10132	17.4
158.07253	1.4
159.08037	3.2
159.11661	2.2
161.09578	1.4
165.05844	1.4
165.07008	14.4
167.08513	2.3
169.10120	1.4
170.07317	1.1
170.09543	1.7
170.10912	17.9
171.08029	9.5
171.11674	14.5
172.08846	2.8
172.12460	0.9
173.09563	3.6
174.03117	1.0
175.07465	2.9
179.08571	2.4
180.09326	20.5
183.08075	9.2
183.11670	1.7
185.09573	3.1
185.13257	21.4
187.11201	1.5
187.14799	1.9
189.12701	3.3
195.11690	38.7
196.12465	1.0
198.10399	18.8
203.14320	1.8
213.12741	100.0
213.20538	1.4
214.13084	1.1
230.21141	1.7
231.13779	51.7
231.17482	2.3
231.21460	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	231.1381
Annotation	Volvatellin
Peak:m/z	Relative Intensity
55.05499	3.0
59.39202	1.5
67.05508	3.6
69.03429	36.5
69.07075	3.1
70.63000	1.8
70.63316	2.3
72.08160	4.0
76.01691	1.8
79.05487	6.9
80.96270	1.7
81.03413	1.8
81.07056	6.1
83.04980	2.1
87.04473	5.1
91.05471	5.2
91.60116	1.7
93.07039	8.0
95.04976	3.5
95.08624	1.9
105.07018	10.0
107.04953	2.7
107.08587	3.0
111.04492	3.4
117.07031	3.0
119.08581	9.8
121.06494	2.3
121.10163	3.7
128.06210	4.8
129.06995	5.4
130.07799	3.0
131.08588	4.7
133.06480	2.0
133.10123	27.6
133.11043	3.0
137.09590	1.7
141.06987	2.5
142.07803	5.9
143.08577	13.4
145.10130	13.8
147.08061	3.9
155.08578	6.2
156.09346	7.4
157.06474	2.2
157.10106	16.0
159.11690	2.1
165.06978	10.6
169.10091	3.3
170.10922	17.7
171.08047	7.1
171.11703	11.4
172.08815	2.3
173.09662	2.2
175.07561	2.8
179.08623	2.4
180.09357	16.4
183.08064	5.8
185.09618	2.3
185.13237	20.2
187.14917	2.0
189.12720	2.8
195.11676	31.1
198.10374	13.9
213.12738	100.0
231.13794	43.8
231.17354	2.3
236.66692	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1493
Annotation	5,6-Dehydroalbine
Peak:m/z	Relative Intensity
55.05492	1.3
55.50689	0.5
57.03411	0.6
65.03941	2.4
67.05480	0.7
69.03429	3.6
69.44653	0.5
72.08154	21.4
75.02340	0.8
79.05441	0.5
81.03409	3.5
83.08577	0.5
85.02908	2.5
87.00788	1.3
89.03399	0.5
89.03919	8.3
89.10766	1.8
91.05445	0.5
97.02850	1.6
99.04433	1.4
105.07034	0.5
105.77018	0.5
109.02883	0.5
115.05457	28.0
117.05701	0.5
118.21859	0.5
127.03899	1.6
128.06247	0.6
143.04918	100.0
144.05264	1.0
160.07571	1.5
190.53415	0.5
213.12886	0.9
214.12265	52.4
215.12680	0.5
230.24001	0.7
231.14975	17.9
231.17294	0.9
231.21361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1704
Annotation	Val Ile
Peak:m/z	Relative Intensity
53.03944	0.3
55.05513	11.2
57.05826	0.5
69.03439	0.4
70.06588	0.4
71.01051	0.3
72.08156	100.0
75.04462	0.4
86.09705	4.9
95.20693	0.2
102.04202	0.2
116.07085	0.3
118.07571	0.2
132.10207	3.8
147.04407	0.5
148.04800	0.7
171.06538	0.5
185.16551	1.0
188.06465	0.3
231.11844	0.3
231.17053	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	232.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.7
56.96557	1.4
61.01146	1.8
68.52385	0.5
69.07071	6.2
69.46175	0.5
69.77677	0.5
69.78002	1.3
70.06580	0.7
72.08154	0.8
73.56638	0.5
82.99840	2.7
84.08149	1.0
86.09710	49.0
97.06540	6.9
98.97581	2.3
99.97999	0.6
100.02473	1.5
100.97205	1.3
100.98016	1.0
101.00883	23.3
104.05290	0.7
116.98607	0.9
118.03522	6.0
118.98238	1.1
119.01925	53.7
120.01991	0.6
130.03481	0.8
131.01897	2.2
136.04567	1.1
137.02965	10.3
142.03539	0.6
144.05070	1.8
144.08640	0.8
149.03001	0.8
154.03473	1.9
155.36026	0.5
156.04976	0.7
157.03429	1.3
161.02959	0.6
168.08665	3.3
172.04504	1.1
172.08318	0.9
172.09711	1.1
173.06606	0.8
186.09760	31.5
191.07582	0.7
196.08272	1.7
197.06613	2.3
202.05630	1.5
204.10834	8.9
205.03822	1.3
214.09247	44.3
215.02229	1.9
215.07652	4.0
215.09476	0.9
217.55482	0.8
226.37750	0.6
232.05226	4.1
232.10301	100.0
233.03319	1.7
233.08588	2.0
233.10567	1.9
250.08604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05511	13.3
56.05036	7.0
57.03441	1.3
57.07061	2.3
57.32820	0.6
58.02944	1.0
58.06582	1.6
60.04527	28.0
67.05505	18.7
69.07070	20.8
69.41843	2.9
70.02950	0.6
70.06593	4.7
71.04991	4.1
71.08646	0.6
72.04521	6.8
73.06560	0.6
76.45280	0.6
79.05496	6.8
80.05013	1.1
81.07056	18.5
82.06575	2.7
83.04993	3.6
83.08622	7.7
83.51982	0.6
84.04496	2.4
84.08150	1.9
85.06541	2.9
86.06049	5.3
86.09692	0.6
88.03969	0.8
91.05474	4.5
93.07039	10.1
94.06582	1.0
95.04955	1.0
95.08604	15.1
96.08123	2.6
97.06517	4.0
97.10161	1.2
98.06042	2.2
98.09692	1.2
100.07601	0.6
105.07058	3.2
107.08595	5.9
109.06551	0.9
109.10157	6.7
110.09641	1.0
111.08066	1.6
111.11688	0.9
112.07616	0.8
119.08557	3.3
121.10149	2.0
123.11714	1.0
133.10144	2.3
135.11696	5.5
147.04396	2.2
149.13255	1.5
153.12694	1.5
154.15909	0.7
161.13289	3.5
166.15924	4.0
168.17471	2.8
172.16980	1.7
178.15939	1.7
179.14360	1.5
184.16988	8.0
186.18552	4.7
187.35849	0.6
196.16953	15.8
197.15407	3.3
202.18028	15.7
214.18015	40.6
232.19075	100.0
233.19417	0.9
244.82002	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.1
55.86275	1.0
56.05039	1.8
57.03432	5.0
57.07074	1.5
58.06591	3.6
58.56074	0.8
60.04523	3.7
67.05509	10.1
69.07071	16.9
70.06233	1.5
70.06595	21.5
70.61279	1.7
71.04998	1.7
79.05495	5.2
81.07066	16.0
83.04960	1.1
83.08617	4.5
84.04507	0.9
84.08139	3.2
85.06528	2.5
91.05474	4.1
93.07063	4.6
95.08608	26.4
97.06525	1.3
97.10150	3.2
98.09708	1.7
99.08070	0.9
105.07031	3.2
107.08588	3.8
109.10146	5.3
111.08052	1.2
111.11659	1.1
119.08574	4.9
121.10159	2.4
123.08057	2.2
133.10129	1.6
135.11670	1.6
137.13257	2.9
147.04352	2.0
149.13239	2.7
151.14772	1.5
160.23376	0.8
161.13274	11.0
168.17480	3.3
177.19606	1.0
178.15912	1.3
179.14337	3.7
196.16971	100.0
197.15387	1.3
197.17340	1.3
202.17912	1.7
214.18019	97.7
215.16541	4.8
222.67271	1.0
232.19070	84.3
233.19302	0.9
249.93610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
56.05040	2.4
56.96571	4.9
58.99866	10.0
61.01156	4.2
69.07081	4.3
70.06591	4.0
71.06929	1.2
71.17016	0.5
72.08150	2.8
74.06067	2.5
77.00903	5.0
84.04498	1.0
84.08150	3.5
86.09708	100.0
87.10027	1.5
94.93047	0.8
95.01920	0.7
98.09698	3.0
98.97578	1.7
100.11255	0.8
100.99178	1.3
101.00873	5.7
102.01003	2.1
102.05576	1.3
104.05368	1.4
104.07137	0.6
110.97546	0.6
111.04474	1.2
116.10734	7.4
116.98641	1.7
117.03995	1.8
119.00130	0.7
119.01921	15.4
120.02001	7.5
120.06586	6.3
121.01711	0.8
125.00870	1.2
127.02415	1.5
128.98637	1.6
129.01582	0.5
129.05519	0.7
130.04965	0.8
130.08609	0.5
131.01932	1.5
131.03709	0.7
133.03468	8.5
134.99628	0.8
135.05009	1.4
137.02983	3.5
138.03047	2.4
138.23271	0.6
143.01909	20.0
144.98184	0.7
145.03464	11.4
145.05180	1.3
146.08163	0.8
146.99738	0.8
151.04546	2.4
153.00339	1.1
155.07005	1.5
157.03548	0.7
157.05225	0.9
158.03641	1.2
161.02962	14.9
162.99208	0.9
163.04550	9.7
171.01396	8.4
172.97641	0.6
173.02983	5.8
173.08151	1.8
175.02724	0.9
175.04509	0.8
184.04468	0.6
185.04846	1.1
187.09935	2.1
189.02454	14.5
190.98761	1.1
191.02438	0.5
191.04036	10.0
196.99231	0.7
203.05765	2.8
205.10968	0.8
206.04025	2.5
207.03577	3.2
208.99640	2.9
215.00383	10.4
215.09480	4.1
215.13965	2.7
216.02341	1.6
217.10727	3.6
233.01457	31.3
233.04948	11.3
233.10368	7.6
233.14958	6.9
234.03310	3.4
251.02513	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	233.0423
Annotation	Unknow
Peak:m/z	Relative Intensity
63.58587	16.5
72.08137	36.8
84.08130	25.3
86.09708	100.0
94.92995	23.5
101.00879	39.7
115.25468	14.7
119.01920	23.0
143.01886	59.6
161.02998	82.4
233.06378	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1174
Annotation	Drupanin
Peak:m/z	Relative Intensity
55.01870	3.1
55.05503	2.2
56.57005	0.8
56.96572	1.0
59.04996	1.1
65.03947	1.5
67.05498	11.3
69.03430	12.6
69.07053	3.3
72.82625	1.0
79.05485	7.4
81.03363	0.8
81.07063	7.1
83.04967	2.9
86.09708	5.0
91.05478	12.6
93.07046	8.7
95.04971	25.9
95.08598	2.5
97.02897	3.1
97.06531	92.8
103.05450	7.9
105.04471	0.8
105.07040	11.8
107.04910	1.8
107.08608	6.0
109.06532	9.6
111.04444	8.6
111.08096	4.6
115.05459	2.9
116.06229	1.2
117.06982	5.2
119.04880	1.0
119.08576	11.3
121.06506	16.8
123.04422	3.0
123.08069	4.6
124.05196	5.3
125.05975	1.3
128.06213	2.9
129.06981	8.5
130.07780	3.3
131.04929	35.4
131.08572	11.2
133.06490	1.6
133.10083	1.4
134.07275	1.9
135.08052	100.0
137.05980	61.6
137.06836	0.7
138.06767	7.9
139.07538	45.9
141.07004	4.3
142.07811	1.3
143.08578	4.0
144.09332	9.7
145.06499	4.5
145.10130	12.0
147.04382	1.3
147.08032	3.1
147.11694	1.5
149.06007	1.1
151.07515	2.9
153.06999	1.8
154.07779	4.3
155.07037	3.0
155.08542	2.9
156.09346	8.7
157.06456	3.6
157.10162	1.2
158.07266	7.7
159.08070	11.3
159.11690	37.5
160.03929	1.3
160.08846	2.4
161.09610	2.0
161.13341	1.1
163.07568	2.1
163.11217	2.7
169.10107	8.8
170.10936	1.3
171.07985	1.4
171.11674	4.6
172.08827	31.0
173.05882	1.3
173.08197	2.1
173.09607	37.2
173.13185	1.3
175.07515	4.3
177.09111	2.0
177.12743	1.3
182.07324	1.7
187.11174	63.0
189.12718	2.9
191.10698	2.5
197.09601	7.1
200.08276	3.2
205.12257	5.0
215.10667	55.3
216.13869	2.5
217.10625	5.5
233.11716	42.7
233.16673	9.3
234.79897	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1537
Annotation	Hypacrone
Peak:m/z	Relative Intensity
55.05495	2.6
58.22632	0.6
69.03112	0.8
69.03432	8.5
69.07055	1.2
69.41618	0.6
71.46877	0.7
77.03918	1.3
79.05491	36.9
81.07056	2.0
83.04984	1.3
83.08620	4.4
91.05476	3.4
93.07041	3.2
95.04976	3.5
95.08565	1.4
105.04463	1.4
105.07037	4.1
107.04955	38.5
107.08593	7.3
109.06487	0.8
109.47128	0.6
111.04443	1.0
111.08062	3.7
117.07014	1.7
119.08585	15.2
121.06503	1.5
121.10143	4.1
123.08101	1.1
125.09621	1.8
128.10684	0.6
129.06975	1.1
131.08586	3.0
131.09445	0.6
133.10136	4.6
135.08073	0.8
142.07813	0.8
145.10109	2.0
147.08047	13.2
147.11676	6.8
149.09636	5.4
149.13255	2.2
157.10103	2.0
158.10928	1.5
160.08871	1.3
163.07561	0.9
173.08203	0.9
173.09694	0.7
173.13269	4.1
175.11189	6.2
191.14297	50.4
192.14700	0.8
197.13225	1.6
215.14290	1.8
217.10678	2.3
233.15355	100.0
234.15671	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1649
Annotation	Albine
Peak:m/z	Relative Intensity
51.02381	0.2
51.03104	0.2
62.84581	0.2
69.07069	0.8
69.40984	0.6
69.41397	0.5
77.03934	0.5
81.07027	0.3
86.09711	10.3
91.05460	0.3
93.12060	0.2
95.04958	0.4
95.08593	0.3
97.06551	0.5
103.05472	21.8
103.12349	2.4
111.04476	0.2
116.82802	0.2
119.05025	0.3
129.10258	0.6
130.06512	0.2
131.04932	100.0
132.05284	1.0
147.04431	1.0
173.08185	0.4
197.17303	1.0
210.01611	0.2
215.18346	0.6
216.11754	0.4
216.13844	8.6
217.10725	0.6
218.43346	0.2
233.16498	30.1
234.16835	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60263	0.8
55.01861	1.3
55.05508	15.5
56.05037	9.1
57.07079	1.3
58.06562	1.0
60.04525	81.3
67.05506	19.2
69.03383	1.1
69.07069	13.8
70.06238	1.5
70.06590	17.0
70.52757	2.0
71.04984	4.8
72.04518	1.0
72.08163	6.2
79.05489	11.1
80.90428	0.9
81.07056	28.9
82.06568	1.2
83.04988	5.0
83.08615	5.8
84.08161	1.1
85.06533	1.6
86.06057	1.6
89.10773	2.7
91.05476	5.3
93.07031	10.3
95.04942	1.0
95.08606	21.7
96.08136	2.2
97.06532	2.3
97.10166	1.7
99.08098	1.3
101.06012	1.6
107.08581	6.1
109.10151	4.3
111.04453	7.6
119.04935	13.7
121.10155	6.7
129.05478	1.9
147.04407	69.2
154.77678	1.0
155.07024	9.0
155.25946	0.9
161.30849	0.9
163.14764	1.4
166.91782	1.0
168.17456	2.3
172.16893	1.1
173.08081	8.1
177.05402	1.1
180.17442	4.0
186.18515	11.0
198.18527	31.0
198.20306	2.0
199.09703	1.3
216.19591	54.0
217.10693	18.7
217.12593	1.4
217.20012	1.0
218.11736	6.0
234.20631	100.0
235.14423	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	234.9174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82348	1.0
55.05521	0.9
56.96608	1.1
60.65675	1.0
62.20687	1.0
67.54311	0.9
70.91261	1.5
72.08167	5.5
78.95634	1.7
83.04955	1.7
85.06576	1.1
89.10811	2.7
94.93042	3.4
111.04460	3.5
119.04959	4.2
123.36670	0.9
124.83518	1.1
129.55446	0.9
136.94029	100.0
147.04408	16.8
155.07069	3.1
160.96141	2.4
173.08195	2.3
217.10765	6.0
218.08157	2.4
234.18102	1.4
234.90025	2.4
235.06647	1.2
235.14392	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	234.9173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.7
57.07079	1.4
59.24454	1.0
59.60686	1.0
70.20565	1.5
70.20896	2.0
72.08150	3.8
78.85860	0.9
83.04989	1.7
94.93017	2.2
96.92832	2.0
98.99098	1.0
101.06028	1.5
111.04455	7.3
119.04939	1.1
120.14409	0.8
124.05450	0.9
136.94020	100.0
147.04440	7.1
155.07039	7.6
160.96159	1.9
173.08064	7.1
174.08441	1.3
217.10706	15.6
218.11165	2.9
234.83305	1.4
235.16795	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	234.9174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.6
59.23803	2.3
62.32460	2.4
70.06591	3.9
70.33257	2.4
71.45530	3.9
72.08152	60.0
77.87772	2.3
78.95633	7.2
80.95448	5.7
84.08163	5.6
86.06054	2.6
88.07651	2.7
96.92822	32.0
114.89364	7.1
118.04996	3.1
136.94022	100.0
146.08131	37.3
147.08374	2.7
163.10794	6.4
192.91010	14.6
196.87810	6.6
199.93721	2.7
206.57365	3.0
217.15515	21.5
218.15675	4.6
234.18097	32.4
234.83414	8.5
234.92041	12.3
235.18379	6.8
236.80731	2.3
247.78036	2.3
253.31905	2.7
253.72585	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	234.9616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89127	8.7
69.65170	33.0
70.96774	9.4
72.08148	41.7
78.95638	79.2
80.95469	13.8
84.08144	13.2
85.47291	9.6
87.95918	9.0
95.05450	8.6
96.92278	8.4
96.92800	56.4
98.23399	15.3
136.94020	100.0
146.08105	38.4
147.04463	11.3
150.03677	8.7
150.92206	9.3
167.52489	9.4
172.96114	12.0
190.97173	43.5
192.91026	34.3
217.15727	8.6
234.18095	23.1
234.90005	12.1
234.92081	27.3
234.96185	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03945	0.4
69.34837	1.2
69.84293	0.2
70.25008	0.2
70.51447	0.2
72.08154	11.7
82.59493	0.3
87.83099	0.2
89.10793	8.4
89.63820	0.2
91.05478	5.0
97.26482	0.2
98.06059	0.6
115.08698	1.1
117.80245	0.2
119.04939	19.4
120.05262	0.2
126.95443	0.2
130.87761	0.2
147.04404	100.0
148.04720	1.2
218.11757	14.1
219.12164	0.2
235.14400	17.4
247.21906	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	235.1442
Annotation	p-Coumaroylputrescine
Peak:m/z	Relative Intensity
65.03922	0.4
69.79766	1.0
71.36700	0.2
72.08154	11.2
82.71688	0.3
83.07544	0.3
85.57098	0.3
89.10239	0.4
89.10792	8.1
91.05479	5.2
98.06062	0.6
98.23354	0.6
114.09119	0.3
115.08694	1.1
119.04942	20.7
147.04402	100.0
148.04753	0.8
151.15979	0.3
218.11768	13.9
223.59225	0.3
225.50470	0.3
234.03464	0.3
235.14401	17.4
236.14603	0.3
240.83049	0.3
246.61800	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1441
Annotation	p-Coumaroylputrescine
Peak:m/z	Relative Intensity
51.00055	0.3
55.05511	0.3
55.77426	0.2
56.91609	0.3
56.96546	0.2
58.37325	0.2
65.03936	0.5
70.52917	0.3
72.08156	15.8
89.10793	10.7
91.05479	4.9
98.06039	0.6
99.97401	0.2
114.09209	0.3
115.08695	1.7
119.04942	20.7
146.06046	0.3
147.04405	100.0
148.04762	1.3
156.07368	0.3
162.05536	0.2
218.08134	1.3
218.11775	12.1
235.14410	16.6
236.09192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.2
57.07050	0.3
65.03933	0.3
70.33043	0.6
72.08151	24.8
80.24691	0.3
88.61958	0.3
89.10789	18.4
91.04949	0.3
91.05479	6.2
98.06077	0.6
98.97636	0.3
112.04759	0.3
113.96378	0.4
114.09121	0.3
115.08691	1.3
119.04935	23.8
147.04398	100.0
148.04724	1.2
156.07385	0.4
174.08409	0.4
179.10622	0.4
209.87238	0.3
218.11745	8.2
235.14421	13.6
235.16901	1.1
236.14711	0.3
245.44041	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1443
Annotation	p-Coumaroylputrescine
Peak:m/z	Relative Intensity
65.03935	0.3
67.16462	0.2
72.08157	11.4
89.03318	0.2
89.10800	7.9
91.05482	4.3
91.06052	0.3
91.91391	0.2
93.40249	0.2
98.06030	0.7
114.09148	0.3
115.08746	1.1
119.04945	16.7
131.04962	0.4
147.04410	100.0
148.04765	0.9
156.65010	0.2
162.11357	0.3
163.49263	0.2
190.00993	0.2
218.11769	13.6
219.12222	0.2
235.14421	16.2
236.14941	0.4
253.25725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02378	1.0
53.03934	3.4
55.01861	2.2
55.05514	18.7
57.03447	1.2
57.07063	3.3
58.13077	1.2
58.94120	1.1
59.04984	1.9
64.63740	1.1
67.05506	49.4
69.03416	1.2
69.07067	16.0
69.12756	7.7
71.04993	4.2
73.06549	1.2
77.03917	3.0
79.05493	98.9
81.03404	5.7
81.07058	51.1
81.07460	0.9
81.07554	1.6
83.04972	6.1
83.08622	9.0
85.06528	3.9
91.05484	56.3
93.07046	100.0
95.04964	13.9
95.08606	34.7
97.06516	5.3
97.10140	2.8
98.22678	2.1
99.08092	2.2
101.05999	3.3
105.04515	4.1
105.06345	2.3
105.07025	29.5
107.04945	3.6
107.08596	59.6
109.06532	6.8
109.10169	10.2
111.04475	1.5
111.08093	3.3
113.05997	1.7
113.96429	1.8
117.07021	13.0
119.06019	2.0
119.08588	27.6
121.06501	4.7
121.10147	75.5
123.04418	1.2
123.08060	4.1
129.06996	8.4
131.08568	20.2
133.10123	25.1
135.08078	10.1
135.11707	15.4
137.09615	4.7
139.07516	2.1
142.07791	1.6
143.08533	4.4
145.10103	6.8
147.04391	6.9
147.08125	1.4
147.11664	6.9
149.09633	2.3
153.09097	4.4
157.10103	8.8
159.11670	1.8
159.99132	1.3
161.09641	2.2
161.13260	2.0
171.11664	5.7
173.13208	8.8
174.08429	2.4
175.11134	2.6
175.14807	9.4
179.10710	2.5
189.12737	4.8
189.16403	11.2
193.12154	1.4
199.14835	18.7
207.17363	1.9
217.15837	17.0
218.11058	6.1
235.13306	2.2
235.16925	86.5
237.70869	1.0
240.78275	1.1
248.82956	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	10-epi-7,10-epoxy-ar-bisabol-11-ol
Peak:m/z	Relative Intensity
50.63242	1.4
53.03938	2.8
55.01870	3.4
55.05512	15.1
57.07066	4.4
59.04986	2.1
65.03930	2.1
67.05156	2.6
67.05502	35.6
69.03425	2.8
69.07069	21.8
69.29038	5.7
69.29452	3.2
71.04980	4.0
73.06564	1.7
77.03923	2.5
79.05492	82.5
81.07056	46.1
83.04984	3.5
83.08613	7.0
85.06535	3.2
87.04462	1.6
91.05480	59.5
93.07044	100.0
95.04963	10.9
95.08603	31.1
95.29124	1.4
97.06523	6.5
97.10154	4.7
99.08112	2.1
101.05984	2.3
105.04506	3.4
105.07031	35.0
107.08593	55.3
109.06535	6.8
109.10146	7.0
111.08103	3.0
117.07010	23.6
119.08582	37.9
121.06516	2.9
121.10143	58.1
123.08053	5.8
123.11693	1.9
128.06219	2.4
128.16693	1.2
129.07005	7.4
131.08566	21.0
131.30116	1.3
133.10124	18.6
135.08029	7.1
135.11691	8.7
137.09605	4.5
139.07576	2.2
139.11169	2.8
143.08533	10.2
145.10066	4.7
147.04442	2.1
147.07988	1.4
147.11674	4.4
149.09622	2.3
151.11160	2.3
153.09103	1.6
157.10136	7.8
159.11681	4.9
159.30707	1.3
161.09607	2.7
161.13260	20.8
171.11700	3.7
173.13301	2.5
175.11217	4.4
175.14819	13.0
179.10684	2.5
185.13272	14.2
189.12715	2.1
189.16351	9.5
199.14822	15.1
203.14322	11.6
207.13972	1.3
207.17461	3.8
217.15964	12.1
218.11026	1.8
235.13167	4.2
235.16919	77.2
236.14920	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1695
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.10161	1.5
53.03947	3.5
53.87749	1.7
55.01869	3.3
55.05516	19.4
57.02414	2.0
57.03430	4.7
57.07065	3.0
61.39040	1.5
67.05516	16.4
69.07076	12.0
71.04977	2.1
79.05503	58.7
81.03415	2.9
81.07063	100.0
83.04977	2.3
83.08630	9.4
85.06505	2.2
91.05486	26.5
93.07053	47.4
95.04961	6.6
95.08618	28.5
97.06516	2.3
97.10175	2.3
99.08099	2.8
101.06009	2.3
105.04549	2.1
105.07040	20.9
107.07928	3.5
107.08604	51.8
109.06528	58.8
109.10175	9.0
111.08089	3.8
111.53277	1.8
117.07007	3.2
119.08588	29.4
121.10154	27.8
122.07259	2.0
123.08082	15.5
125.09612	4.7
131.08534	5.2
133.10146	17.1
135.08028	5.0
135.11711	7.6
139.07446	2.3
143.08556	4.7
145.10126	3.2
147.04399	5.0
147.08061	2.6
147.11717	6.6
149.09668	2.5
157.10150	6.7
161.09657	4.8
161.13264	2.4
171.11697	2.3
175.11160	1.9
175.14796	9.3
186.52222	1.9
189.12758	2.4
189.16394	8.0
199.14909	10.7
207.17503	2.8
217.15887	7.9
218.11200	2.9
235.10794	2.1
235.13354	3.6
235.16931	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1693
Annotation	(3E,12Z)-Laurediol
Peak:m/z	Relative Intensity
53.06438	2.9
55.05514	11.0
57.07079	67.3
65.32294	3.0
67.05507	32.4
69.03445	6.4
69.07068	10.9
71.05001	3.8
71.46734	3.1
79.05499	55.4
79.16096	2.8
81.07060	29.0
83.04977	6.7
83.08624	3.8
86.15398	2.9
91.05483	51.8
93.07052	100.0
95.04961	15.8
95.08612	20.3
101.06046	5.6
103.44839	3.1
105.04549	6.6
105.07047	18.5
107.08612	36.3
109.10181	7.2
111.08115	4.0
113.96386	8.5
117.07034	11.1
119.08599	13.4
121.10151	42.4
131.08578	8.9
131.97423	6.7
133.10115	18.7
135.08051	4.5
135.11708	8.9
137.09618	4.3
143.08621	5.2
147.04466	6.9
151.03894	4.3
153.09140	4.0
156.07394	3.3
157.10150	6.0
161.06052	10.4
175.07611	4.8
175.14801	5.9
179.07065	29.7
189.12825	4.1
189.16444	4.4
199.14827	7.6
217.12437	5.8
217.15916	12.9
218.11169	7.7
235.13321	54.9
235.16888	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z)-Laurediol
Peak:m/z	Relative Intensity
51.02377	0.9
51.46869	0.9
53.03934	3.4
55.05514	6.7
55.95072	0.8
57.03422	1.0
57.07053	1.3
63.82265	0.9
65.03920	1.5
67.05164	1.7
67.05508	31.7
69.03436	5.3
69.07069	7.3
69.42937	4.5
71.04979	1.5
77.03922	2.1
79.05497	48.5
81.07057	19.2
83.04967	3.5
83.08598	3.9
84.69180	0.8
85.06555	1.2
85.18533	0.9
88.15656	0.9
91.05481	39.1
93.07048	100.0
95.04974	12.2
95.08613	14.6
97.06502	2.0
97.10156	1.7
101.06006	1.8
105.04513	5.3
105.07033	11.7
107.04948	1.6
107.08600	35.3
109.06502	2.9
109.10143	4.2
111.08081	1.1
113.96365	1.6
117.07047	5.8
119.08575	12.0
121.06487	1.3
121.10154	42.7
123.08091	2.3
130.31114	1.0
131.08586	7.7
133.10112	14.3
135.08052	5.2
135.11679	7.6
137.09625	2.5
143.08577	2.9
145.10120	2.1
147.04376	3.0
147.11613	1.3
149.09587	2.7
151.11198	1.3
153.09109	3.0
156.07324	1.2
157.10114	2.7
161.09561	1.8
171.11717	2.0
173.13251	2.3
175.11171	1.6
175.14824	5.6
179.10649	1.9
189.12750	2.3
189.16449	4.7
199.14778	8.3
202.56645	1.0
217.15886	6.4
218.08133	1.1
218.11026	2.0
235.13232	2.2
235.16910	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
50.75701	2.1
55.05499	11.4
57.07065	7.3
58.63435	2.2
67.05513	26.6
68.73240	2.3
69.03396	3.4
69.07059	8.0
69.92440	5.3
69.92784	3.1
72.08144	3.9
78.46636	2.4
79.05486	13.5
79.23315	2.1
80.71304	2.4
81.07056	87.4
83.08614	4.2
89.10793	3.4
91.05499	18.6
93.07048	33.6
95.04956	5.4
95.08604	64.2
97.06532	3.8
97.10130	3.9
97.38462	2.4
99.04445	3.0
101.06012	5.2
105.07038	51.4
107.08597	83.3
108.09377	3.3
109.06543	4.2
109.10166	23.6
113.05985	2.6
113.96375	4.0
119.04924	8.9
119.08591	58.5
121.10149	26.2
123.08046	5.4
123.11708	46.4
125.09651	2.7
131.97519	2.9
133.10136	42.2
135.08035	3.1
135.11691	44.6
136.12473	3.6
137.09599	4.3
139.07515	2.8
143.08527	2.3
147.03297	3.9
147.04402	43.4
147.08034	4.1
147.11691	17.5
149.13263	3.3
153.09074	8.2
157.10104	4.8
158.99959	2.6
159.11684	10.2
161.09547	6.8
161.13254	80.1
165.09035	4.6
171.11670	2.7
174.08405	3.3
175.11192	3.8
179.10684	4.6
189.12680	4.7
189.16388	100.0
199.14766	8.0
201.63441	2.3
217.15866	35.6
218.11043	13.3
235.14566	6.8
235.16884	89.5
235.20451	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1694
Annotation	(3Z,12Z)-Laurediol
Peak:m/z	Relative Intensity
51.02387	0.7
53.03946	2.7
55.05515	2.6
65.03938	0.8
67.05505	20.7
69.07066	2.0
71.04990	1.2
73.72214	0.5
77.03944	2.2
79.05495	23.1
81.07060	7.3
83.04968	0.6
83.08632	1.2
85.06535	0.8
87.04482	0.5
87.99754	0.4
91.05485	33.6
93.07046	100.0
94.07359	0.6
95.04970	11.6
95.08607	4.9
97.06540	0.7
97.10170	0.9
105.04519	5.2
105.07032	4.7
107.04939	1.3
107.08587	13.3
109.06522	1.3
109.10154	2.3
112.38211	0.4
113.96398	0.6
114.64807	0.4
117.07032	1.6
119.08596	5.7
121.06497	1.4
121.10149	16.0
123.08067	0.8
123.11749	0.5
129.07024	0.8
131.08569	2.6
131.97476	0.5
133.10135	5.1
135.08075	1.8
135.11694	4.0
137.09567	1.1
143.08588	1.3
145.10153	0.6
147.04405	1.7
147.11696	0.8
149.09586	1.0
151.11188	0.9
153.09087	0.7
157.10121	1.4
159.11696	0.9
161.13220	0.4
169.81183	0.4
171.11713	0.9
173.13347	0.8
175.11243	1.0
175.14897	2.5
189.12715	1.0
189.16342	0.9
199.14758	3.7
217.15831	2.2
218.10997	2.3
220.03746	0.5
235.13409	0.6
235.16920	16.0
235.22511	1.4
245.94069	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0919
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
51.59916	0.3
56.96558	0.5
57.07064	0.7
58.79365	0.3
69.77462	0.9
72.08149	1.4
73.08494	0.4
79.05479	0.4
89.10793	0.4
91.05458	0.9
98.23388	0.6
98.97575	1.3
106.06553	0.6
116.04964	0.4
116.98587	0.8
117.07027	0.4
119.04952	0.7
120.05277	1.3
120.08105	1.4
127.46366	0.3
129.07066	0.5
134.06010	2.4
135.04391	1.3
137.05986	2.1
144.08112	1.9
147.04413	2.9
148.04752	4.5
161.06029	0.6
162.05510	13.7
163.06303	1.9
172.07561	1.6
173.06015	0.6
175.06320	0.7
181.89125	0.4
190.08633	13.3
194.08040	0.4
195.98329	0.4
200.07062	1.1
201.07877	0.4
218.08125	99.5
218.57469	0.4
219.08386	1.0
219.11693	0.6
228.09489	0.4
231.01082	0.3
236.09180	100.0
236.17117	1.2
237.09450	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70865	0.2
54.85465	0.2
55.53625	0.3
69.35005	1.2
72.08154	1.4
73.08479	0.5
77.88605	0.3
79.50537	0.3
89.10764	0.7
91.05454	0.5
92.05802	0.5
95.04900	0.3
98.97583	0.4
104.05319	0.3
106.06535	0.5
116.04935	0.8
116.98602	0.4
119.04944	2.0
120.05287	1.5
120.08083	0.7
129.06981	0.4
134.06015	4.7
134.09627	0.3
135.04442	1.4
137.06004	1.3
144.08083	1.9
145.06433	0.7
146.05923	0.3
146.36432	0.3
147.04411	5.7
148.04755	9.4
149.07091	0.5
157.06395	0.3
162.05504	12.5
162.09132	0.4
163.06302	1.5
163.07462	0.3
170.99026	0.7
171.01361	0.3
172.07565	1.6
173.06015	0.5
174.14944	0.4
175.06255	0.5
189.00069	0.9
190.08630	12.2
194.04970	0.4
195.05011	0.4
199.84842	0.3
200.07056	0.6
212.05840	0.7
213.00082	0.4
218.08121	97.3
219.08574	1.3
219.12100	1.9
228.42160	0.3
231.01181	0.5
236.09175	100.0
237.09460	1.1
254.06903	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.5
65.03941	0.3
70.62501	0.2
72.08156	11.7
73.06557	0.3
73.08488	0.3
74.59773	0.2
77.42178	0.2
83.64097	0.2
89.03947	0.3
89.10770	0.4
90.09193	3.4
91.05482	5.1
92.05440	0.2
97.28745	0.2
106.11219	0.2
119.04940	20.4
120.05263	0.8
123.72890	0.2
128.40445	0.2
144.57877	0.2
147.04402	100.0
147.49861	0.2
148.04749	6.0
211.36667	0.2
218.08124	0.7
219.12093	0.8
236.09189	0.7
236.12788	2.4
236.14799	1.0
259.35931	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	237.004
Annotation	Unknow
Peak:m/z	Relative Intensity
70.72166	2.0
90.96698	1.0
136.94017	2.3
138.93843	4.1
164.02336	1.1
187.38278	1.2
220.32352	1.1
220.34399	1.2
222.77866	1.4
236.14948	1.8
237.00388	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95255	2.1
52.70466	1.9
56.27356	2.2
58.06574	2.5
67.42992	1.8
94.93010	1.9
99.04472	2.1
103.75444	1.8
104.10748	2.2
109.53735	1.8
122.94468	2.3
138.93828	4.7
156.03580	5.0
219.08359	2.3
236.14970	7.9
237.00392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76781	1.7
55.01872	4.5
56.96577	3.2
57.03449	2.0
58.99860	3.7
59.04995	5.1
61.02927	6.7
62.50699	1.6
65.84718	1.8
69.07083	1.7
70.06259	1.9
70.06600	8.2
71.01357	57.5
71.44497	2.3
72.46688	1.6
73.02926	2.4
74.02438	7.6
75.04494	11.4
78.95646	9.8
81.07079	2.7
82.01477	2.5
83.29039	1.6
84.08131	3.8
85.02914	3.2
98.97593	5.9
99.00835	3.0
99.09223	2.9
100.02489	7.0
101.02385	4.8
103.03951	20.1
111.00831	3.0
113.02390	5.3
114.07823	4.6
115.96450	2.0
116.03432	1.9
116.98601	3.5
117.01873	7.7
118.03531	4.2
118.06600	2.8
119.01949	6.5
119.03359	2.1
120.08114	4.6
122.85503	1.7
123.95515	7.2
127.00279	2.9
128.04991	2.4
129.01778	4.4
131.03407	49.9
133.05003	5.6
136.93134	3.6
136.94064	2.5
138.93852	2.3
141.01836	5.1
143.01900	6.0
143.03391	3.8
145.01347	6.1
145.03491	6.2
145.04970	11.6
146.06013	97.5
154.94255	6.0
156.97464	3.2
157.04980	18.8
159.02902	100.0
160.03281	2.3
161.02969	5.5
163.04535	5.5
163.05977	1.6
164.07104	2.0
166.03496	3.5
168.05064	3.3
171.01390	4.1
171.30756	1.9
172.95247	8.1
173.04497	4.2
174.98538	2.8
176.09206	3.3
176.95639	1.9
177.00854	2.3
177.04034	2.1
189.02528	5.2
190.92543	4.3
190.96269	2.5
191.05501	8.7
192.06627	2.1
194.03032	4.2
194.52777	1.8
194.96661	3.0
195.05476	3.1
212.04028	8.9
213.94075	5.7
219.05016	16.0
220.05695	1.8
230.04916	1.8
236.94189	6.4
236.98567	8.0
237.03444	3.4
237.06262	4.8
237.08696	6.1
237.12434	7.5
237.14648	1.8
238.01843	1.9
254.95230	6.5
256.03122	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	237.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.1
57.49902	0.8
65.03937	0.8
67.05494	1.5
69.07073	1.2
71.04955	1.2
79.05499	0.8
81.03451	0.8
81.07068	3.0
83.04996	0.8
91.05479	0.9
93.07063	2.2
95.04982	3.1
95.08620	2.7
97.06592	1.0
105.07019	2.0
107.08616	1.7
109.06537	1.8
109.10173	1.5
119.08593	1.9
121.10159	1.9
125.09719	0.9
133.10133	1.9
135.09975	0.7
135.11749	1.3
145.10143	1.1
149.02344	8.6
149.03429	1.1
149.09628	0.9
149.13242	1.5
159.11742	1.2
173.13368	0.9
177.12654	1.0
190.95264	0.9
193.04982	4.4
193.12007	100.0
194.12463	1.3
201.16377	1.3
219.13754	0.9
219.17390	2.0
237.07545	5.2
237.11002	6.8
237.14909	3.7
237.18634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1121
Annotation	Stachyline B
Peak:m/z	Relative Intensity
60.73796	2.2
67.05502	3.6
67.18481	2.5
69.24194	5.8
69.24583	4.8
71.04987	2.6
81.07101	2.6
83.35624	2.2
83.93849	2.1
91.05489	4.8
93.07034	2.6
96.73042	2.2
98.23445	5.0
105.07057	3.4
117.07063	3.0
128.06232	3.4
129.07010	20.1
131.04872	3.1
131.08566	16.6
141.06990	13.6
144.05701	2.8
146.07320	2.6
149.02324	4.8
157.06509	10.5
158.07286	10.1
159.08046	11.7
169.06480	4.5
170.07210	2.3
174.06755	31.2
175.07602	6.0
186.06784	8.3
188.08408	2.6
189.09097	60.0
191.10686	4.0
193.05104	2.3
201.09096	18.6
211.91367	2.5
219.10161	100.0
237.07449	2.5
237.14798	4.4
238.80766	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	237.1487
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
52.32198	0.8
52.96031	0.9
55.01869	1.1
55.05512	1.9
57.07056	2.9
59.04979	2.2
67.05492	3.1
69.07059	1.5
69.17550	0.8
71.04990	1.3
72.39456	0.8
72.46825	0.9
78.82877	0.9
79.05489	4.3
81.03394	1.7
81.07050	6.7
83.04970	3.3
85.02893	4.4
85.06534	1.0
91.05486	5.0
93.07048	9.4
95.04967	6.7
95.08573	2.4
97.06517	2.3
99.04490	4.5
99.05093	0.9
105.07047	4.6
106.49572	1.0
107.04954	1.1
107.08603	4.6
109.06526	18.8
109.10129	1.1
111.08101	1.0
115.05460	0.9
116.00238	0.9
117.07024	3.1
119.08558	3.8
121.06521	8.8
121.10152	2.4
123.08064	2.6
129.06990	1.0
131.08583	4.3
133.10130	2.2
135.08058	8.1
135.11671	2.0
137.05981	6.6
139.07471	3.0
142.67236	0.8
144.09322	3.4
145.10091	1.0
149.09604	2.1
149.13239	1.7
151.07526	3.5
153.09113	1.9
157.10098	1.3
159.11684	20.9
159.12950	1.5
161.09624	2.0
163.07532	8.6
163.11169	1.4
164.08376	1.0
172.94186	1.2
173.13258	2.5
175.11186	0.9
177.12761	6.5
181.08614	11.1
191.14294	1.8
201.12675	2.4
213.96945	1.3
219.13777	7.2
237.14853	100.0
238.13367	4.3
238.15451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0325
Annotation	116-63-2
Peak:m/z	Relative Intensity
53.76434	0.3
57.98796	0.9
58.92867	0.3
58.99588	32.0
59.03993	0.3
59.84211	0.4
60.71559	0.4
69.03420	0.9
71.04900	0.5
74.99751	0.4
81.03419	0.6
81.07058	0.6
86.99060	8.7
89.06035	1.4
90.03453	0.4
90.06361	0.6
91.05475	1.8
97.02903	0.8
105.00089	4.1
116.98686	0.4
120.18270	0.4
127.03913	0.5
132.08101	0.6
133.08597	0.9
136.03940	100.0
137.02370	0.6
137.03400	0.5
137.04353	0.6
138.03700	1.8
148.02184	2.1
154.05014	0.9
166.03233	1.2
176.01630	1.3
194.02716	64.4
195.03163	0.9
204.83955	0.4
240.03253	91.6
240.15753	0.8
241.03555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03218	0.4
55.01944	0.8
58.39418	0.3
60.76855	0.3
66.52813	0.2
68.02720	0.5
69.38258	0.3
70.04570	0.5
70.04872	0.3
78.17018	0.3
80.02722	0.8
81.03496	0.6
82.03768	0.6
82.04289	10.5
94.03021	0.3
105.02214	0.3
107.97602	0.3
108.02116	1.9
109.02956	0.5
109.05335	0.3
110.03662	9.7
122.02377	3.0
126.73566	0.3
138.03148	3.3
138.03984	0.3
150.01863	24.9
152.06973	0.3
161.01135	1.3
165.04231	10.9
165.05571	0.6
168.08952	0.3
178.01360	15.6
182.04408	0.5
183.67029	0.3
193.03708	100.0
194.04126	1.0
208.06003	1.0
225.06320	55.3
226.06598	0.4
229.56587	0.3
240.08583	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	240.1594
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01870	4.9
67.05495	2.1
68.05015	2.1
69.03434	1.5
69.07066	11.1
70.02953	1.8
70.06232	1.4
70.06591	14.5
70.52090	1.5
71.04631	1.3
71.04994	17.2
79.05489	3.5
80.04993	1.6
81.07048	3.3
82.02946	1.0
82.06587	0.9
84.02125	1.9
84.04486	0.8
86.06054	3.0
90.46559	0.6
93.07056	1.1
94.06557	1.6
95.07380	0.8
96.04488	1.6
96.08133	19.3
97.05271	1.5
97.06543	1.5
98.06060	1.1
98.09688	6.8
106.06535	4.8
107.07308	1.0
107.08601	1.2
108.08109	5.5
108.78130	0.7
109.10144	1.5
120.08084	0.9
122.06037	8.2
124.07590	53.3
124.11187	1.1
125.08366	3.0
126.09167	1.4
134.06021	0.8
134.09631	0.8
135.08022	1.0
136.07599	1.1
140.07059	8.6
150.12759	5.0
152.07059	2.5
152.10759	1.0
153.07846	9.6
159.22086	0.7
166.08632	1.0
166.36838	0.7
176.14352	2.8
194.15454	8.0
204.13817	6.2
222.14886	100.0
223.15118	0.8
240.15964	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	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.2
55.01870	2.0
55.05508	12.9
56.05020	3.3
57.03439	7.7
58.06588	3.1
65.03924	2.8
67.05504	53.9
68.05022	1.4
69.03424	1.9
69.07067	9.3
70.06593	17.4
70.15488	3.1
71.04996	13.1
72.04518	10.2
73.05277	1.6
74.06065	3.0
77.03914	2.4
79.05493	49.5
81.07057	40.9
81.07473	0.6
81.07553	1.2
82.06560	5.6
83.04965	4.9
83.08614	3.6
84.08144	5.6
85.06533	4.4
86.06053	7.8
91.04936	2.3
91.05481	34.5
93.07040	38.1
94.06591	6.3
95.04964	8.8
95.08596	28.8
96.08131	12.1
97.06525	6.6
98.06035	1.8
98.09680	3.2
98.97600	1.6
100.07619	3.3
105.04486	2.1
105.07030	29.0
107.08593	22.8
108.08098	4.4
109.06514	4.2
109.10143	6.2
110.09666	7.7
111.08067	3.3
112.07610	3.3
112.11245	1.1
116.98578	1.4
117.07016	8.4
119.08591	14.3
120.08089	1.5
121.06533	1.4
121.10137	10.0
122.09657	4.9
123.08044	2.5
124.11266	2.1
126.09147	3.3
131.08563	13.2
133.10127	9.4
134.09641	3.3
135.11681	5.1
136.11198	6.0
137.09584	2.2
137.12039	1.2
145.10144	17.2
147.11641	6.3
148.11252	3.2
149.12051	1.6
149.13252	4.8
152.14282	1.6
159.11661	4.5
161.13226	3.8
162.12740	2.8
175.14792	1.8
176.14323	2.0
187.14824	8.0
192.17487	4.1
202.15897	2.3
204.17461	22.8
205.15813	2.4
210.18538	5.1
222.18520	52.3
237.71201	1.1
240.09274	3.7
240.19576	100.0
241.19818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58310	1.7
54.58586	1.8
55.01868	7.4
55.05511	21.6
55.25627	1.8
56.05038	10.5
57.03427	2.6
57.07074	2.6
58.02977	1.7
58.06613	2.0
60.04523	54.1
65.03907	2.2
67.05507	60.3
67.05866	4.0
67.46951	2.0
68.05039	2.7
69.07069	24.2
69.26765	4.3
69.27170	8.0
70.02952	2.2
70.06590	5.1
71.04968	3.0
72.04517	18.3
72.08142	2.1
73.85104	1.7
74.04527	1.7
75.15984	1.8
79.05495	45.3
80.05008	4.2
81.07056	64.1
82.06574	5.6
83.04974	5.7
83.08615	6.3
83.77447	1.8
84.04514	2.7
84.08152	4.1
85.06594	1.9
86.06062	6.8
91.05479	28.5
93.07041	39.7
94.06570	5.1
95.04955	6.2
95.08610	62.4
96.08146	9.0
97.06527	4.6
97.10172	3.4
98.06038	3.8
98.09698	3.7
98.97601	8.4
105.07033	16.2
106.06506	2.5
107.07411	2.5
107.08595	20.4
108.08118	3.1
109.06524	4.2
109.10145	18.3
110.09715	4.1
111.08088	6.7
112.07619	5.8
112.11252	3.0
116.07069	2.7
116.98615	9.5
117.07027	7.7
119.08593	21.9
121.10121	18.1
122.09664	6.3
123.08096	4.0
123.11715	2.4
124.93568	1.8
131.08556	10.7
133.10132	10.2
134.09650	4.0
134.99635	4.4
135.08023	2.3
135.10376	4.1
135.11685	7.5
136.07590	4.0
136.11208	3.1
137.09662	2.1
137.13234	2.7
139.09793	1.9
145.10176	9.9
147.11685	3.9
148.11201	2.8
149.13271	5.2
152.10648	2.5
159.11737	2.2
161.13280	4.9
163.14821	5.7
175.14874	4.5
176.02339	3.0
176.14322	2.0
179.14325	2.1
179.42770	2.0
187.14827	8.5
192.17493	10.9
193.15913	2.0
204.13832	7.2
204.17435	9.5
205.15894	4.2
210.18436	10.5
222.18498	34.0
228.82901	1.8
232.04353	1.7
240.09193	15.2
240.19592	100.0
240.23399	4.0
241.19919	2.3
259.91879	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	241.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11752	1.0
58.06599	11.6
60.08153	4.2
69.31870	5.1
70.06590	1.3
78.95633	27.6
80.05008	4.1
84.08137	5.0
94.06588	1.3
101.51752	1.2
104.10742	100.0
112.89590	5.2
114.89326	2.1
119.48490	1.1
120.96651	76.7
128.10716	1.5
132.96634	40.0
150.97682	63.0
168.10172	1.2
180.98759	2.8
183.51260	1.0
196.09674	2.9
241.00958	1.1
241.10628	8.8
241.15457	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14151	0.3
58.06600	15.5
60.08158	0.8
61.91648	0.2
62.98235	0.5
69.52190	0.4
69.52585	0.6
70.06593	2.0
78.95633	2.4
79.61840	0.2
80.05008	1.8
84.08140	8.1
88.03046	0.2
98.06048	0.4
98.09676	1.3
100.11224	0.4
104.10747	23.0
112.89595	0.9
114.89331	0.3
116.07018	0.3
120.96651	6.6
124.07558	0.3
126.05496	0.5
128.10715	3.3
132.96620	3.3
138.05571	0.3
138.07214	0.2
144.10168	1.6
150.97679	4.2
152.07024	0.3
157.11742	0.2
160.30130	0.2
168.10179	0.8
179.72534	0.3
196.09682	4.8
213.16075	0.4
227.57423	0.3
241.15459	100.0
242.15776	1.5
247.24657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1546
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
52.20816	0.2
53.03953	0.2
55.05502	0.2
55.15602	0.2
56.96566	3.2
58.06601	16.3
60.72260	0.2
67.05449	0.2
67.66945	0.2
69.03448	0.2
69.68116	0.3
69.68510	0.4
70.06593	2.4
71.95258	0.2
72.08137	0.4
80.05015	0.3
81.03417	0.4
84.08144	8.0
85.06538	0.2
98.06060	0.4
98.09693	1.4
98.23499	0.2
98.97585	22.1
99.04478	0.2
99.60760	0.2
100.11256	0.2
101.00875	0.3
114.05524	0.4
116.07120	0.3
116.98623	13.4
119.01923	0.7
126.05575	0.4
126.06594	0.2
126.09208	0.2
126.87247	0.2
128.10713	3.6
128.98711	0.2
131.01913	0.3
134.99664	5.4
138.96423	0.2
140.00223	0.2
144.10205	1.3
145.86336	0.2
152.10696	0.3
153.00705	0.5
156.97585	0.4
158.01294	0.2
168.10222	1.0
172.04572	0.2
174.98557	0.3
176.01160	0.2
177.00844	0.5
196.09677	4.8
196.11551	0.2
198.98553	0.3
199.07536	0.4
201.02428	0.4
213.15967	0.5
216.00740	0.2
216.99628	0.4
217.08717	0.2
218.02087	0.2
218.05254	0.2
218.10544	0.3
218.20453	0.2
219.01801	0.8
234.99860	0.3
240.98891	0.8
241.15459	100.0
242.15884	1.0
258.99750	7.2
259.99988	0.3
261.02988	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37992	1.3
55.01871	5.3
55.70677	1.2
57.03439	13.0
58.06598	5.1
59.06939	1.3
70.84321	1.6
71.01360	7.1
71.05004	1.7
72.75561	1.1
73.02918	7.2
73.74430	1.3
80.05019	8.0
84.08137	2.4
85.02923	4.5
85.08495	1.2
87.04472	10.8
89.02402	6.5
101.02398	19.4
103.03954	1.9
104.10695	1.3
105.01866	1.5
111.00803	2.6
113.02344	1.4
115.03936	36.8
115.04716	2.5
129.00943	2.6
129.01848	31.8
133.04980	5.1
141.01822	2.0
142.05060	1.3
143.03403	22.6
157.01344	31.7
161.04456	34.3
171.02934	5.9
175.02377	1.2
189.03946	100.0
199.49014	1.3
207.05064	5.2
224.07654	3.3
242.15817	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27245	0.5
52.51630	0.4
56.82906	0.6
56.96563	1.2
65.41906	0.5
80.05009	1.9
84.04477	1.3
85.02914	1.9
86.09675	1.0
91.05489	0.7
92.77892	0.5
96.37771	0.6
98.97596	3.1
101.02342	0.5
112.03751	5.2
116.98616	1.5
126.06580	0.7
134.99663	0.8
137.05956	0.7
145.04929	0.7
151.07349	0.6
153.05235	3.9
161.04533	0.6
164.50871	0.5
171.06262	0.6
179.84480	0.6
189.03957	2.1
194.07921	0.7
195.01936	0.5
197.12910	0.6
214.08540	0.5
224.08990	6.0
225.07147	0.7
228.52122	0.5
242.10004	100.0
242.24846	0.6
243.10384	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1436
Annotation	Prometryn
Peak:m/z	Relative Intensity
55.01795	1.8
55.02079	0.8
55.05452	0.4
57.06996	2.5
57.07299	0.7
67.05438	0.7
68.02429	6.9
68.02825	0.7
68.04980	0.5
69.07021	0.6
69.17805	2.4
70.06523	0.4
71.08551	3.0
71.65749	0.4
73.47558	0.4
74.00608	0.8
80.94790	0.7
81.06992	0.7
82.06483	0.5
83.08562	0.6
85.05152	5.1
85.07600	0.9
88.07635	10.7
88.08138	0.6
88.69055	0.4
91.03304	2.6
94.06503	0.8
95.07288	0.4
95.08549	0.6
97.10101	0.6
98.97520	0.4
100.11185	0.6
103.99112	0.4
108.08137	2.1
109.10116	0.7
110.04617	3.0
110.07167	2.7
116.02798	7.9
118.06530	0.7
120.08096	0.5
121.08862	0.7
122.06032	4.8
123.11652	0.4
130.15872	0.8
136.07520	0.7
142.15903	1.5
150.09132	0.5
152.09273	1.0
152.11826	1.1
158.04959	69.9
178.15916	8.0
184.20685	0.5
186.22340	0.7
188.14426	0.6
189.16507	0.8
200.09651	42.9
201.09962	0.7
206.15538	0.8
212.23761	0.9
227.12129	0.5
242.14503	100.0
242.24982	7.3
242.28610	15.0
243.14777	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	4.8
53.03939	7.5
54.75579	4.3
57.03445	5.0
57.66116	5.7
58.06593	4.9
63.02357	5.7
67.05517	9.0
70.06605	25.0
70.91365	11.7
75.02349	5.8
77.03924	15.6
79.05488	10.5
80.05019	9.5
81.07068	10.0
82.06538	5.9
91.01814	7.8
91.05493	14.0
93.07051	9.9
95.04989	20.8
95.08616	6.0
96.08099	8.5
98.97622	10.4
101.03914	9.4
101.87677	4.9
103.05489	11.0
105.04533	6.9
105.07041	11.7
108.08180	6.7
108.44741	4.7
110.06085	4.3
115.05443	37.3
116.98652	9.9
117.07051	8.6
119.08565	8.0
126.04707	5.2
127.05450	50.4
128.06197	31.4
129.07014	23.4
132.08134	8.0
136.11240	20.5
141.05829	12.1
141.07010	17.9
142.06577	13.3
143.08652	7.1
145.06509	9.2
152.06198	100.0
153.07024	38.4
154.07785	20.8
155.05995	12.4
155.08554	15.7
156.08086	9.2
165.06969	46.9
166.07861	11.0
167.05817	8.4
167.08604	14.6
168.08058	8.2
169.06430	8.9
178.07758	13.4
179.08611	6.2
180.08037	8.4
181.08887	10.3
182.08224	8.1
182.09631	7.4
191.08554	42.2
192.09404	11.4
194.09575	10.1
208.11314	13.3
222.12872	6.1
224.14284	9.8
242.11728	8.5
242.15405	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.1753
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01864	6.2
56.05027	3.6
56.79319	1.5
68.05035	2.5
70.02938	2.3
70.06583	7.8
70.90524	2.8
71.04991	23.3
71.08624	15.0
71.71770	1.6
86.06066	3.8
95.08577	2.9
96.08142	24.5
98.06062	2.9
98.09686	21.2
98.97565	4.7
99.08082	7.3
108.08121	5.2
109.10154	1.6
116.98608	2.6
122.06033	8.2
125.08362	2.0
126.12824	2.1
139.11200	2.0
140.07056	7.8
154.12273	5.1
178.15875	7.4
179.14352	2.1
196.16982	14.6
206.15387	17.1
214.12360	3.9
224.16452	100.0
225.16788	2.2
242.11803	5.0
242.17484	6.4
242.24893	2.5
254.42146	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	242.1753
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.05509	1.0
56.24749	0.4
59.57311	0.4
61.29206	0.4
63.23965	0.5
64.14786	0.4
67.05495	1.9
68.05029	0.9
69.05807	1.1
69.07070	0.9
70.06595	28.0
70.33358	1.1
71.05003	5.2
71.08613	0.6
75.45676	0.4
79.05502	0.6
79.33356	0.4
83.07350	2.2
84.08153	1.0
91.05474	1.0
91.81622	0.4
93.07042	0.7
95.08621	3.2
96.08174	0.6
98.06075	0.9
98.22746	0.7
98.41358	0.4
98.97640	0.8
106.69732	0.5
109.10157	1.1
116.98615	0.7
132.95372	0.4
140.07080	0.7
142.08609	1.7
154.15900	1.1
158.08157	0.7
182.15407	57.0
183.15720	0.8
198.49866	0.6
207.99384	0.5
224.16470	1.5
242.17509	100.0
243.17845	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.6
55.05516	7.8
57.03210	0.6
57.03444	5.8
57.07069	1.6
58.06596	2.3
59.05001	0.5
60.04498	0.6
62.61875	0.5
63.15830	0.4
67.05505	14.1
69.07077	6.1
69.43478	1.3
70.06593	15.6
70.06983	0.9
71.04995	4.0
71.08634	3.5
71.48077	0.5
78.40105	0.5
79.05502	6.5
81.07056	19.2
82.06586	0.5
82.15826	0.5
83.04993	0.5
83.08611	2.4
84.08160	3.1
85.06537	3.6
86.06063	0.5
91.05497	2.7
91.05985	0.5
93.07054	8.1
95.04961	0.7
95.08610	14.7
97.06540	0.9
97.10177	1.4
98.09708	0.9
98.97588	0.8
99.08102	4.3
105.07034	1.5
107.08591	5.0
109.10146	5.1
110.09686	3.9
111.08075	2.6
119.08571	1.3
121.10155	1.8
123.11738	1.6
125.09646	1.0
127.99547	0.5
131.50578	0.6
133.10112	1.4
135.11702	1.0
147.11685	1.1
149.13248	1.0
153.06935	0.7
153.12720	2.2
165.07063	0.5
169.15924	0.8
170.81554	0.6
184.17036	0.8
189.16492	0.7
199.15152	0.6
207.17409	0.7
224.20099	59.2
225.18515	1.6
225.20515	1.1
242.21150	100.0
242.24608	3.7
243.21507	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84789	0.9
55.05510	9.6
55.73816	0.8
56.05038	0.9
57.03417	3.2
57.07078	6.2
58.06589	1.8
67.05502	6.8
69.07069	11.7
70.06590	8.6
71.04990	4.7
71.08618	3.0
74.06048	0.9
79.05492	1.4
80.94849	1.0
81.07056	8.3
83.08612	6.8
84.08155	2.0
85.06564	1.1
88.07642	7.0
95.08600	10.1
95.65931	0.8
97.10161	2.1
98.97585	2.0
100.11268	1.5
102.09171	1.0
109.10159	4.4
123.11707	1.6
130.15889	1.5
142.15903	4.8
150.99301	0.8
166.07355	1.1
168.08926	1.0
184.20639	1.5
186.22182	1.6
224.23729	16.4
242.24779	100.0
242.28366	20.1
243.25182	1.6
253.14606	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	0.5
67.87954	0.1
69.80221	0.2
81.43948	0.1
82.99358	0.1
82.99799	0.4
98.23389	0.1
98.97580	3.2
99.97900	0.1
100.97178	0.1
100.98012	0.1
101.00882	5.1
102.00957	0.1
116.98627	2.1
119.01919	11.8
120.02031	0.2
121.18318	0.1
121.19185	0.1
122.97764	0.1
134.99771	1.3
137.02957	1.8
138.08755	0.1
140.98802	0.9
142.03514	0.1
153.00938	0.3
157.01843	0.1
158.99890	3.3
159.99989	0.2
160.04518	0.1
165.99699	0.2
175.03050	0.5
177.00948	21.9
178.01039	1.0
179.01320	0.2
182.99823	0.7
183.01350	0.1
184.00635	0.1
193.04057	0.3
195.01991	0.2
199.02979	0.2
200.02542	0.2
200.82773	0.1
201.00926	2.5
202.01126	0.1
217.04077	3.4
218.04105	0.1
219.02003	26.1
220.02107	2.0
221.00850	0.2
221.02551	0.1
224.00076	0.1
225.00861	2.3
226.01001	0.1
227.99622	0.2
234.00694	0.3
234.02917	0.1
236.99762	0.1
242.03596	0.2
243.01985	12.2
244.02103	0.5
261.03049	100.0
262.03192	4.3
263.03433	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76653	2.2
51.84996	2.4
53.10661	2.1
55.05497	5.4
57.07066	3.3
57.47178	2.2
61.72282	2.3
68.61674	2.3
69.07037	2.1
69.78622	7.4
79.05489	2.5
81.07060	33.6
82.06583	3.2
83.04958	3.3
84.04505	2.9
93.14724	2.4
95.08595	2.4
98.09694	27.7
98.22650	3.6
98.97559	6.0
99.08083	8.5
100.07608	14.4
105.07040	2.4
111.04436	7.7
116.10748	16.0
116.98666	5.4
128.07079	5.9
137.06145	2.4
174.12425	2.2
198.14885	56.3
208.13322	3.9
219.96646	3.3
226.14365	81.6
243.04774	100.0
243.08565	3.8
243.11458	12.0
243.17073	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	243.0865
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03949	1.3
55.01881	1.3
55.75489	0.9
61.02936	11.7
64.47845	0.9
65.03945	6.6
67.05495	4.3
69.03437	0.7
69.82443	3.0
77.03925	1.1
79.03232	0.8
79.05489	5.7
81.07069	4.5
82.04211	2.0
84.04495	1.9
85.02911	6.4
91.05486	14.5
93.03420	2.5
93.07011	0.8
94.04191	1.3
95.04971	14.4
95.05531	1.2
97.02928	1.1
97.06527	2.3
98.97598	2.8
99.02708	1.1
102.97073	0.9
103.05495	1.0
105.03429	2.6
105.04522	2.6
107.04967	6.5
108.02063	1.6
109.02853	1.1
109.06519	13.8
110.03687	3.7
111.04445	2.1
116.98640	1.8
119.04944	4.6
121.06517	1.2
122.03703	1.2
123.04424	15.2
125.02334	5.1
125.06000	2.8
133.02856	10.7
134.99629	1.0
135.04422	3.3
136.05231	0.9
137.05978	23.2
138.03134	2.4
140.04681	100.0
147.04404	5.7
148.01460	1.1
151.03908	1.4
152.04724	2.8
153.05452	7.3
155.07028	93.1
157.69865	0.8
163.03938	2.4
164.04764	1.1
165.01877	1.2
165.05479	19.7
167.07080	1.0
171.06557	7.0
173.08109	6.6
179.07047	9.5
180.04161	16.2
181.04955	71.5
183.06529	2.5
183.08366	0.9
193.04955	24.7
195.06520	11.8
196.07210	1.2
197.08102	9.7
207.06528	26.5
207.08508	1.4
208.05212	0.9
208.11203	0.9
225.07576	23.1
243.08612	17.7
243.11037	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03954	1.4
56.96575	1.0
57.49197	1.0
61.02929	10.6
65.03945	6.5
66.04401	1.0
67.05501	4.9
67.59571	0.9
69.56978	4.1
77.03904	1.5
79.05492	4.3
81.07058	4.3
82.04216	1.8
85.02919	5.4
86.09701	1.0
91.05482	15.6
93.03406	2.3
94.04176	1.6
95.04977	13.8
97.02883	1.4
97.06554	1.8
98.23469	1.8
98.97594	3.8
103.05430	1.1
105.03394	2.1
105.04520	2.5
107.04944	7.7
108.02094	1.6
108.71573	0.9
109.06533	12.5
110.03648	3.9
111.04470	1.6
116.98594	2.6
119.04948	7.2
121.06453	1.1
122.03692	1.3
123.04440	13.5
125.02325	5.0
125.05950	2.6
133.02852	12.4
134.99623	1.1
135.04420	4.3
137.05983	24.0
138.03127	2.8
139.03889	1.1
140.04689	100.0
141.05028	1.3
142.02634	1.4
147.04446	6.4
152.04695	3.7
153.05467	6.3
155.07030	92.2
163.03935	4.4
165.01843	1.7
165.05495	20.6
167.07088	1.3
171.06552	5.1
173.08118	6.0
179.07043	11.0
180.04195	16.8
180.05656	1.9
181.04962	77.4
183.06552	4.0
193.04974	23.4
194.24380	1.0
195.06549	11.7
197.08046	9.2
207.06531	27.2
221.01006	1.1
225.07573	21.2
225.58067	1.1
243.06458	1.0
243.08716	17.8
243.11072	1.5
245.29669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0866
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03951	1.6
55.01895	1.2
56.96571	2.0
61.02925	10.7
63.53638	1.1
65.03959	6.9
67.05497	2.6
69.03426	1.3
70.13329	2.7
72.28845	1.1
72.89239	0.9
73.02928	1.2
77.03930	2.2
79.05491	5.5
81.03434	1.6
81.07046	2.5
82.04210	2.4
84.04521	4.4
85.02904	3.7
85.36897	1.1
86.09704	3.3
91.05481	17.4
93.03405	2.2
94.04200	2.1
95.04973	15.8
97.06526	2.5
98.97595	5.7
99.04466	2.7
105.03407	2.9
105.04495	1.7
107.04963	8.9
107.83434	1.0
108.02036	1.3
109.06516	14.8
110.03662	3.3
116.98645	2.8
117.05522	2.6
119.04948	5.5
120.33768	1.1
123.04436	17.4
124.99120	1.1
125.02370	6.7
125.06057	2.2
127.05042	10.1
131.67896	1.0
133.02867	12.1
135.04434	4.4
137.05986	21.7
138.03122	2.6
140.04688	100.0
143.00244	1.1
146.03630	2.0
147.04408	6.8
152.04694	3.9
153.05493	7.1
155.07031	93.5
163.03905	2.2
165.01846	1.5
165.05487	17.3
167.07115	1.5
171.06546	4.2
173.08087	5.6
179.07062	10.7
180.04195	17.0
181.04959	74.4
183.06561	3.4
193.04947	27.1
195.06517	11.8
197.08084	9.1
197.12813	1.5
207.06529	24.0
216.57336	1.3
219.01761	1.4
225.07591	22.7
243.08597	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0976
Annotation	Thymidine
Peak:m/z	Relative Intensity
52.26384	1.5
55.01870	1.1
55.88493	1.1
56.96560	4.1
57.03442	2.0
59.84399	1.1
61.02935	10.2
65.03940	6.6
67.05495	2.7
67.33868	1.0
69.03422	7.0
69.76922	3.4
69.77258	1.4
71.04995	3.1
73.02918	5.1
77.03905	1.7
79.05486	5.6
81.03427	4.9
81.07063	3.9
82.04206	2.5
84.04504	11.6
84.08153	1.9
85.02917	4.7
86.09718	10.1
91.05477	15.1
93.03439	2.9
94.04195	2.6
95.04969	14.2
97.06571	1.4
98.97598	7.8
98.98492	1.1
99.04453	12.5
105.03400	2.6
105.04514	2.1
107.04947	6.2
108.02117	1.8
109.04031	2.5
109.06523	12.9
110.02377	7.1
110.03670	3.2
116.98657	7.3
117.05497	19.5
118.52370	1.1
118.98386	1.1
119.04960	5.8
120.51748	1.3
121.06493	2.0
122.03653	1.4
123.04425	15.4
123.05260	1.5
125.02367	4.8
125.06027	2.3
127.05039	75.6
132.10233	4.0
133.02844	11.6
134.99681	2.4
135.04440	6.0
137.05988	20.8
138.03085	1.6
140.04683	100.0
147.04434	6.3
152.04715	4.6
153.05492	5.3
155.07030	93.4
163.03911	2.9
164.04736	1.2
165.01851	1.2
165.05469	21.9
167.07013	1.6
171.06505	6.4
173.01202	1.4
173.08115	5.9
179.06990	10.3
180.04179	16.1
181.04951	71.5
183.06546	2.7
193.04961	28.6
193.06593	2.2
195.06551	13.8
197.08083	9.4
197.12917	5.5
202.52571	1.7
207.06537	27.4
207.94231	1.4
219.01855	1.8
225.07535	23.4
226.08298	1.2
243.04768	2.7
243.08614	17.2
260.96011	1.6
261.03143	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	243.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28613	0.2
58.06593	0.7
60.08162	3.7
66.96154	0.2
70.73312	0.2
72.08148	0.2
79.44364	0.2
84.04510	0.2
90.27508	0.2
91.41691	0.2
104.10742	100.0
105.11077	0.5
112.05096	1.7
122.96397	0.3
150.12624	0.2
151.07683	0.2
154.58328	0.2
160.93985	0.2
205.45929	0.2
243.07465	0.5
243.15918	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.17
Annotation	(+)-Dienomycin C
Peak:m/z	Relative Intensity
53.03954	5.5
55.05511	9.0
57.03442	4.8
62.06087	8.6
65.03941	7.9
67.05505	14.3
68.05035	3.5
69.03424	4.1
69.07060	5.8
70.06597	21.0
77.03928	9.7
79.05490	26.0
80.05027	7.1
81.05786	3.3
81.07062	15.0
82.06580	10.3
82.07055	2.8
84.08176	6.3
89.03896	3.3
91.05488	57.7
92.05000	3.9
93.03419	9.8
93.07045	12.9
94.06585	9.7
95.04959	22.0
95.08678	5.8
96.08150	7.9
103.05460	18.0
105.04536	13.1
105.07036	16.9
108.08124	5.4
110.06096	3.6
110.09709	4.0
115.05457	57.3
116.06254	6.2
117.05727	7.5
117.07019	23.6
118.06568	5.9
119.08582	6.9
119.23122	2.8
120.08092	9.0
127.05476	8.0
128.06230	77.3
129.07016	100.0
131.08563	8.8
132.08090	7.0
133.08888	5.0
134.09676	6.0
136.11211	33.0
141.07010	27.8
142.06651	4.9
142.07768	29.8
143.07315	10.5
143.08569	16.5
144.08086	16.4
145.06473	11.3
145.08830	4.2
145.10080	4.8
146.09622	5.4
147.10497	3.9
149.01711	2.9
152.06276	17.4
153.07021	42.2
154.07793	23.0
155.06026	13.8
155.07301	3.2
155.08559	18.5
156.08118	3.6
156.09320	5.1
157.08974	4.7
157.10187	9.5
158.09659	7.7
159.10455	4.1
160.11217	6.0
165.06978	32.1
166.07747	9.2
167.08493	13.9
168.08086	5.8
169.10197	6.0
170.09682	8.8
172.11252	4.7
178.07817	5.4
179.08536	24.3
181.10077	4.8
182.09709	9.8
183.10458	4.6
184.11266	9.3
186.12721	3.9
193.10100	4.1
194.10962	6.0
196.11292	9.3
198.12819	13.3
199.14972	3.3
200.14377	3.8
209.13609	3.9
210.12810	6.8
211.13600	10.2
226.15945	31.4
226.17989	5.5
244.16977	89.0
244.22668	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.17
Annotation	(+)-Dienomycin C
Peak:m/z	Relative Intensity
51.02381	2.1
51.20597	1.9
53.03937	4.4
55.05502	6.9
56.05035	4.6
57.03430	8.8
57.07088	2.2
65.03925	4.4
67.05503	19.1
69.07062	4.0
70.06589	36.2
70.20456	4.0
75.02367	4.9
77.03929	7.4
78.34505	2.3
79.05499	20.4
80.59891	2.4
81.07054	16.2
82.06547	3.6
84.08137	8.5
86.06082	2.1
88.07614	2.5
91.01852	3.3
91.05473	29.5
92.05022	2.2
93.07038	9.0
94.06540	4.3
95.04976	9.8
95.08591	11.8
96.08116	7.1
97.08872	2.0
100.07555	3.0
101.03902	9.0
101.55793	1.9
103.05462	19.1
105.04510	6.0
105.07056	13.2
109.10134	5.8
110.09695	2.4
115.05458	39.0
116.06262	4.3
117.05738	3.2
117.06968	11.4
118.06543	14.3
119.08544	3.7
127.05432	14.0
128.06224	51.8
129.07002	33.8
130.06522	9.8
131.07199	2.4
131.08571	5.3
132.08084	14.3
140.06207	2.5
141.06966	24.5
142.07774	7.3
143.07361	4.3
143.08534	11.8
144.08076	9.9
145.06480	8.7
145.08868	8.3
145.10063	3.7
146.09653	5.0
152.06198	41.1
153.06999	62.9
154.07744	20.8
155.06064	12.3
155.07385	4.1
155.08533	26.3
156.08101	5.0
156.09315	3.5
157.10172	2.8
158.09653	6.6
163.91748	2.4
165.07013	46.3
166.07780	13.6
167.08595	10.5
168.08087	6.6
168.09373	2.5
169.08856	4.9
169.10182	4.1
170.09628	10.8
178.07803	7.2
179.08568	28.0
180.09306	2.4
181.10144	5.8
182.09654	10.2
183.10460	5.9
184.11237	7.8
192.09273	2.4
193.10147	8.0
196.11252	10.8
198.12790	2.9
210.12849	6.6
226.15903	83.0
226.21725	6.0
244.13051	5.5
244.16977	100.0
244.22673	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2272
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
53.06546	0.3
55.05260	0.7
55.05509	10.8
56.05034	2.2
57.03432	3.9
57.07081	1.9
58.06611	1.8
60.04513	0.7
61.52808	0.4
67.05502	12.6
69.06714	0.5
69.07065	8.9
70.06590	10.1
71.04992	2.4
71.08633	0.4
71.51994	0.3
72.04519	3.0
72.08150	0.5
74.06065	0.4
76.47407	0.4
79.05495	3.9
81.07053	14.5
82.06588	0.7
83.04981	0.4
83.08615	4.6
84.08144	3.2
85.06530	1.5
85.10218	0.5
86.06050	0.8
91.05511	0.6
93.07034	5.0
95.08604	14.0
96.08113	1.3
97.06523	1.2
97.10158	2.6
98.09675	0.9
100.07619	0.8
107.08579	3.3
109.10144	6.5
110.09682	0.6
111.08112	0.7
112.11201	0.4
121.10140	2.3
123.11686	0.7
135.11679	2.0
149.13248	0.8
164.37686	0.4
180.69777	0.4
182.50053	0.3
191.18010	0.9
208.20557	4.6
209.19075	0.6
226.21640	37.2
227.21991	0.8
244.22702	100.0
245.23051	1.3
250.16702	0.4
260.26724	0.4
262.10208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2274
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
55.05498	2.2
56.05029	2.9
56.16452	0.7
57.03437	0.9
57.07070	2.0
58.06601	1.7
67.05519	1.4
69.07070	2.6
70.06593	1.6
70.31756	0.7
70.32076	0.9
71.05011	0.8
71.08611	0.8
72.57752	0.7
74.06091	6.3
81.07053	2.0
82.06582	4.9
83.08607	1.6
88.07633	1.5
90.17487	0.7
95.08594	1.8
97.10168	1.5
100.02518	0.8
100.07583	1.1
108.32702	0.7
109.10143	1.1
113.26520	0.7
115.05386	0.7
143.04929	0.9
156.17497	2.3
186.18564	2.5
208.20647	9.9
226.21649	13.7
244.22736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2273
Annotation	N-(2-HYDROXYETHYL)DODECANAMIDE
Peak:m/z	Relative Intensity
52.59246	0.1
55.01867	1.0
55.05513	8.0
56.05036	16.5
57.03440	0.4
57.07074	12.7
58.02958	0.3
58.06606	1.0
60.04525	15.7
67.05505	5.5
67.05867	0.3
68.05026	0.4
69.03438	0.3
69.07070	7.1
69.19305	1.0
70.06592	3.5
71.04994	0.7
71.08630	5.4
72.04510	1.5
74.06094	0.2
79.05489	2.0
80.05042	0.2
81.07057	5.3
82.06584	1.0
83.04978	2.3
83.05425	0.2
83.08619	5.1
84.08155	0.3
85.06556	0.1
85.10182	2.4
86.06068	5.6
90.05556	0.2
91.05524	0.2
93.07050	2.1
95.08604	8.5
96.08123	0.6
97.06524	0.9
97.10162	2.3
99.06841	0.7
100.07618	0.5
107.08585	1.4
109.10156	3.9
110.09716	0.3
111.08095	0.3
111.11700	0.5
113.09640	0.3
121.10156	1.0
123.11726	1.1
135.11717	0.7
137.13193	0.3
142.76923	0.1
149.13306	0.2
164.44818	0.2
179.17947	0.4
182.19089	0.3
183.17429	0.9
184.20596	2.8
191.17863	0.3
196.20596	1.3
197.19003	0.4
198.22163	10.6
199.22487	0.2
208.20616	2.1
209.19012	1.5
214.21655	35.0
215.21954	0.6
226.21654	24.0
227.20039	0.2
227.22075	0.2
243.29338	0.2
244.22707	100.0
245.23056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25288	0.5
55.00792	0.5
55.05255	0.9
55.05506	10.2
56.05017	1.5
57.03433	2.8
57.07064	2.1
58.06589	1.6
67.05164	0.6
67.05505	12.4
69.07067	9.5
70.06592	10.4
71.04987	1.9
71.08621	0.9
71.35368	0.6
72.04507	2.0
72.08144	0.6
74.06069	1.1
79.05492	3.0
81.07057	14.1
82.06562	0.7
83.08622	4.5
84.08138	3.0
85.06547	1.2
86.06049	0.6
92.09488	0.6
93.07037	5.8
95.08022	1.0
95.08601	14.3
96.08109	1.6
97.06541	1.0
97.10160	2.1
98.09703	1.1
107.08601	2.9
109.10149	5.7
110.09624	0.6
111.11727	0.5
121.10146	2.4
123.11692	1.0
135.11690	1.4
146.11749	0.6
149.13193	1.0
163.59642	0.5
174.17554	0.5
195.09938	0.5
208.20587	4.4
226.21651	37.9
244.22710	100.0
245.23026	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49965	32.5
53.28313	30.1
54.82319	29.3
57.31654	28.6
65.48823	31.0
69.80151	100.0
69.80502	33.8
76.02407	36.4
88.85218	34.8
92.77139	31.3
146.62457	39.1
149.72324	32.4
199.23706	31.3
222.45367	33.1
244.22690	54.5
244.26370	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14770	0.4
58.06599	0.9
60.08163	3.9
70.06605	0.6
70.49054	0.6
70.49381	0.5
73.00407	0.5
73.62846	0.4
74.02435	0.5
77.15379	0.4
81.03432	0.5
84.04508	1.8
84.08134	2.6
87.04467	0.5
94.93019	7.3
97.02877	0.5
100.07624	0.5
101.00878	2.7
104.10747	100.0
105.10423	0.9
105.11076	7.5
112.05111	2.7
113.03496	2.7
113.05450	1.1
115.03921	0.7
116.07117	0.8
119.01922	6.2
121.01626	0.6
130.04967	0.8
131.01924	1.3
133.03522	0.6
137.02974	1.1
139.02580	0.4
142.19205	0.5
143.01918	2.4
145.03488	1.2
155.01901	0.5
157.03488	2.4
161.01750	0.3
161.02957	7.9
171.57489	0.4
173.02953	1.4
175.04543	1.7
179.00751	1.6
179.03915	0.5
185.02982	2.7
187.04413	0.5
188.97124	0.4
197.03043	1.0
199.04460	0.5
203.04056	2.2
217.05443	0.5
218.92244	1.6
221.01808	1.4
244.90146	2.5
245.02257	0.9
245.05074	4.4
245.11989	0.5
245.15074	0.8
246.18193	1.2
263.02902	5.2
263.05832	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0059
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08156	3.8
66.10621	0.5
70.06605	1.2
76.42976	0.7
84.04512	0.9
84.08127	0.9
94.74502	0.6
94.93011	44.4
101.00876	1.5
104.10740	100.0
105.11070	8.3
107.39307	0.6
112.05075	3.4
113.05428	0.9
119.01909	2.5
129.05064	1.0
138.38109	0.6
139.31349	0.7
143.01955	1.0
145.03435	0.8
155.01866	0.8
157.03508	1.0
161.02956	2.7
161.94785	0.8
167.01782	0.6
172.04585	0.9
173.02867	1.5
173.04173	0.9
185.02919	1.5
212.42645	0.7
215.05182	1.8
218.92218	14.2
244.90167	22.4
245.05066	2.0
245.15596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1175
Annotation	5-Hydroxybisphenol A
Peak:m/z	Relative Intensity
53.03935	3.4
55.01855	3.7
55.05505	8.4
57.03432	1.5
61.92024	1.5
67.05504	7.6
69.03117	1.4
69.03431	14.7
69.07034	1.7
69.20587	1.4
69.70139	4.9
79.05477	6.2
80.16492	1.3
81.07047	7.2
83.04972	3.4
83.08616	3.3
86.09724	10.6
91.05480	14.0
93.07037	9.5
95.04954	9.4
95.08605	2.9
97.02888	11.1
97.06519	3.0
97.10136	4.8
105.07027	17.6
107.04948	1.6
107.08592	12.0
109.02822	2.1
109.06509	5.0
111.04417	5.2
112.41161	1.3
115.05424	6.2
117.07009	5.5
119.04919	1.8
119.08595	10.9
121.06487	10.8
121.10115	2.1
122.29270	1.5
123.04397	2.3
123.07977	2.1
125.09582	3.5
128.06216	9.3
129.07007	11.1
130.07759	2.4
131.08571	9.6
133.06438	2.0
133.10126	2.8
135.08047	19.0
137.05940	2.5
141.06992	11.9
142.03143	1.4
142.07773	16.8
143.08560	15.9
144.09271	4.1
145.06493	7.7
145.10104	4.0
147.04372	4.1
147.08008	9.7
147.11667	2.0
148.08788	7.4
149.05975	6.4
149.09625	11.5
153.06990	4.9
155.08588	6.9
156.09344	29.0
157.06488	3.1
157.10114	20.6
158.07245	4.5
159.08044	13.5
159.11714	8.8
161.05856	2.8
161.09584	4.7
163.07513	4.4
165.06961	8.3
166.07776	11.2
167.08530	3.6
168.09325	6.1
169.06450	15.7
169.10172	2.7
170.07265	4.1
171.08066	9.8
171.11682	18.3
172.08708	3.1
173.09599	4.1
173.13181	2.3
175.07564	4.0
175.11191	7.6
181.10138	11.1
183.08035	7.1
183.11662	2.3
184.08815	33.9
185.09607	42.8
186.10382	6.1
187.07417	1.7
187.11070	2.7
188.08340	2.2
189.09087	2.7
189.11121	3.2
189.12730	4.3
194.07275	1.9
197.05957	4.5
197.09756	1.6
199.11174	100.0
200.11615	3.4
201.08987	1.5
201.12750	2.0
202.09941	1.9
203.10654	29.6
209.09604	13.1
211.07458	2.8
212.08318	38.4
215.10724	1.7
217.12283	10.4
227.07104	1.7
227.10666	44.3
245.04445	12.3
245.11687	50.3
245.14064	3.4
245.18822	1.8
246.20760	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	245.1386
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
53.03932	1.8
55.01873	8.4
55.05511	85.6
57.03435	29.2
59.04993	2.8
66.10250	0.7
66.59216	0.8
67.05161	1.5
67.05503	21.2
69.03434	10.4
69.07068	12.2
69.09489	1.9
69.09907	4.5
72.93784	1.3
79.05492	22.8
81.07054	18.5
81.07500	0.6
83.04980	5.8
83.08617	50.2
85.06535	1.6
86.09689	1.5
87.04436	1.0
90.94837	1.1
91.05473	3.1
93.07051	8.3
95.08611	1.2
97.06520	0.9
97.10169	98.5
98.10506	1.1
101.06017	1.4
101.09656	1.9
105.07030	0.8
107.08592	25.6
109.10172	4.7
111.08091	3.5
115.03896	0.9
116.21008	0.8
117.07016	2.4
125.09630	98.9
126.09994	0.9
135.08046	10.3
142.35344	0.9
143.10693	4.3
149.96117	1.1
153.09109	8.0
167.97142	1.0
171.10164	10.6
174.48470	0.8
189.11215	93.1
207.20137	0.8
213.70461	1.0
227.12761	25.2
243.40079	1.0
245.13838	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1387
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
52.20417	1.4
54.81744	1.3
55.01867	7.9
55.05513	75.1
55.93954	1.3
57.03441	26.0
57.07075	8.4
58.06593	3.9
58.07407	1.5
59.04997	3.2
62.06081	6.1
64.59539	1.7
65.06475	1.3
67.05506	22.4
69.03424	7.8
69.06765	1.3
69.07072	12.4
70.06269	3.7
71.08629	3.6
79.05499	21.4
80.94849	1.8
81.07066	17.3
83.04984	4.2
83.08619	46.5
85.10180	1.8
86.09715	1.4
91.05442	3.6
93.07053	9.1
95.08630	2.7
97.10171	99.2
98.23383	2.1
105.07005	3.1
107.08601	25.9
109.10158	2.3
111.08075	2.2
117.07019	4.2
119.08633	2.1
125.09635	87.0
135.08035	7.8
143.10687	4.3
145.83453	1.5
147.83585	1.4
153.09134	7.8
171.10123	9.3
189.09465	2.5
189.11224	88.0
227.12793	18.6
244.26381	21.5
245.13844	100.0
245.26718	18.8
246.14243	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1652
Annotation	Verruculotoxin
Peak:m/z	Relative Intensity
57.94555	0.2
63.02380	0.7
65.03946	2.1
67.05507	0.2
69.07068	1.9
69.80086	0.4
69.80455	0.4
74.01582	0.2
75.02370	0.8
78.32805	0.2
84.08143	0.3
86.09708	22.2
89.03917	8.9
90.94867	0.3
91.05492	0.4
98.22681	0.2
103.12344	3.4
108.79607	0.2
115.05457	32.4
117.05769	0.2
129.10254	0.5
143.04921	100.0
144.05229	1.0
149.96078	0.3
160.07600	0.9
167.97133	0.3
172.07533	0.4
172.97736	0.4
228.13838	14.8
229.14107	0.3
245.16498	38.9
246.16847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05149	0.2
56.96554	0.2
57.05806	0.3
58.06609	0.3
67.05508	0.3
69.07069	10.6
69.72622	0.6
70.06583	0.3
72.93775	0.3
81.07056	0.2
86.09708	100.0
87.10023	0.9
90.94833	0.5
95.08607	0.7
96.28186	0.2
98.97575	0.3
112.33138	0.2
113.09682	0.3
123.08068	0.3
126.40125	0.2
132.10211	2.3
134.99733	0.2
142.03220	0.3
149.96095	0.5
167.97162	0.5
171.03294	0.3
172.97792	0.4
185.07228	0.3
199.18063	0.9
213.06660	0.3
228.15996	0.3
244.37161	0.2
245.09375	0.3
245.13519	1.9
245.15775	0.2
245.18622	5.5
266.56439	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1863
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05497	0.5
69.07068	0.8
70.37231	0.5
72.93805	0.5
79.05501	0.5
86.09708	100.0
87.10017	0.6
90.94842	0.5
95.08634	0.5
98.23323	0.4
107.08614	0.4
132.10204	3.3
140.10727	1.1
147.04430	0.7
149.96185	0.7
154.57797	0.3
167.97205	0.5
172.97704	0.7
186.11295	1.2
199.14505	0.4
199.18088	2.2
245.13431	0.5
245.18668	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	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
54.46851	0.3
61.06569	0.3
62.55890	0.3
68.99795	0.3
69.03419	0.3
69.06709	0.6
69.07069	9.8
70.73968	0.5
71.04990	0.6
74.40273	0.3
75.04470	0.9
83.04990	0.3
86.09704	100.0
87.10027	0.9
91.05479	1.5
99.04478	0.8
105.05498	4.6
115.03940	1.1
119.04955	3.2
132.10187	1.5
141.05408	0.4
143.03384	0.6
147.04401	14.6
157.04964	1.4
171.02872	0.7
171.04442	0.4
186.05191	0.6
199.18063	0.8
213.03940	0.6
217.07088	3.0
245.04469	6.2
245.06624	1.2
245.13591	2.0
245.18593	4.7
246.04729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1862
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
50.29651	0.6
69.07058	1.7
69.72746	2.3
70.07120	0.6
72.93795	2.5
85.02911	0.6
86.09708	100.0
87.48179	0.7
90.94826	3.3
98.97626	0.9
100.07654	0.8
113.96474	0.8
119.04945	0.9
120.55474	0.7
132.10193	4.1
147.04463	2.7
149.96092	1.6
167.97179	1.8
172.97736	1.4
190.98790	1.1
199.12305	0.9
199.18106	2.6
227.11697	2.0
228.15805	0.7
245.12881	2.4
245.18575	6.6
258.64474	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48856	0.1
51.09736	0.1
52.49785	0.1
58.06596	0.1
58.64824	0.1
58.72366	0.1
65.03916	0.5
68.78915	0.1
72.08137	0.1
83.04998	0.2
84.08147	0.2
84.99538	0.1
85.02911	0.1
85.14823	0.1
90.86241	0.1
91.05479	9.0
100.07618	1.3
104.99304	0.2
117.10269	0.3
119.04940	25.6
120.05254	0.3
121.06578	0.1
147.04404	100.0
148.04768	1.3
151.03882	0.1
171.04752	0.1
186.07149	0.1
246.11290	0.8
246.13332	0.1
246.18216	0.7
246.24266	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	246.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.1
55.34113	0.1
65.03936	0.4
65.04230	0.1
68.99953	0.1
69.79278	0.3
75.54601	0.1
75.66354	0.1
83.04990	0.1
91.05479	6.1
98.22785	0.1
100.07616	0.5
110.69205	0.1
112.83855	0.1
119.04942	21.2
120.05256	0.2
129.99710	0.1
147.04407	100.0
148.04750	1.3
199.89169	0.1
218.11774	0.9
228.16058	0.1
246.11264	1.5
246.16985	0.3
247.14455	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.1854
Annotation	Dehydrolycopecurine
Peak:m/z	Relative Intensity
51.02366	2.6
53.03950	6.8
55.05506	15.1
56.05030	4.1
57.03430	5.1
57.07080	8.4
58.06594	3.7
58.38845	1.9
65.03943	6.3
67.05504	23.7
68.05035	4.0
68.58173	2.1
69.07060	13.3
70.06593	25.0
70.36768	3.1
70.37086	2.4
71.08640	3.8
72.04503	2.9
74.06087	3.6
77.03927	2.7
79.05489	30.1
80.05038	3.8
81.07062	19.5
82.06580	6.9
83.08608	3.2
84.08157	8.1
85.10190	2.5
86.06045	2.4
86.09702	18.3
88.07632	12.3
89.03925	3.4
90.04745	1.9
91.05474	99.1
93.07037	16.2
94.06570	6.8
95.04960	17.1
95.08624	10.3
96.08116	10.8
97.06557	3.8
97.08901	3.5
97.10176	3.0
100.07655	2.5
103.05471	10.2
103.68824	2.1
104.99270	11.6
105.04533	4.1
105.07024	28.3
106.06564	5.7
106.08671	8.1
107.08591	2.9
108.08143	4.1
109.10174	7.1
110.09682	2.4
115.05452	53.9
115.06232	3.7
116.06273	21.0
117.05792	10.1
117.07014	56.7
119.08562	10.1
120.08093	5.0
122.09699	3.7
125.54405	2.1
128.06215	36.2
128.07083	3.3
129.07010	36.8
130.06535	3.2
130.07790	5.8
131.07520	3.0
131.08560	29.8
133.10188	4.6
134.09691	3.1
135.11690	2.9
136.11232	32.2
141.06998	30.9
142.07800	15.4
143.04955	8.1
143.08572	9.5
144.05264	19.3
144.08092	7.1
144.09250	2.5
145.06482	42.8
145.09026	3.3
145.10132	13.4
146.09653	16.5
146.10782	2.9
147.04343	11.1
148.11191	4.8
150.12791	2.9
153.07005	10.4
154.07776	15.3
155.06046	4.2
155.08490	13.2
156.08115	5.0
157.08891	5.4
157.10156	8.8
158.09706	5.4
159.10440	2.6
159.11720	6.8
160.11165	4.2
162.12842	3.6
165.07042	2.1
166.07759	3.0
166.12349	2.9
167.08557	14.6
168.09343	4.5
169.10107	13.5
170.09720	5.2
171.10472	6.4
172.11253	5.6
176.10680	2.3
181.10188	7.2
182.10916	3.1
183.11714	3.4
184.11249	12.4
185.11955	6.2
186.12814	6.6
186.18568	3.7
198.12785	6.6
199.13625	3.7
200.14369	8.4
210.22305	6.0
213.15096	3.4
218.19090	2.8
228.17465	26.4
228.23230	47.6
228.25499	3.1
229.14255	4.8
230.15437	7.3
246.11371	2.5
246.18591	100.0
246.24255	62.7
247.18073	24.6
247.24710	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	246.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
57.07077	6.4
58.06593	0.5
62.06079	0.4
67.05510	0.3
68.05012	0.3
68.61451	0.2
69.26938	0.2
69.65009	0.4
69.65397	0.5
70.06595	10.1
71.08631	1.6
74.06100	0.3
79.05502	0.3
81.07037	0.2
84.08150	0.2
84.53743	0.2
85.10189	1.1
88.07632	14.4
91.05487	1.1
98.01327	0.2
102.09183	4.5
105.07027	0.3
106.08665	7.9
115.05444	0.4
117.07018	0.4
120.08099	0.5
128.06241	0.6
129.06990	0.9
134.84995	0.2
141.06931	0.3
142.07724	0.3
153.07019	0.3
154.07787	0.3
155.08527	0.3
174.58102	0.2
184.20599	0.4
202.21669	0.7
202.88553	0.2
220.02536	0.2
228.17490	0.7
228.23224	5.7
246.24284	100.0
247.24586	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73939	0.6
55.05514	10.5
57.03422	3.8
57.07042	1.0
58.06598	4.4
67.05508	9.4
69.07070	10.1
70.06590	6.9
70.11540	1.5
70.11868	0.8
71.04964	1.0
81.07060	12.7
83.07265	0.8
83.08617	4.7
85.06497	0.9
95.08041	0.8
95.08607	11.4
97.10156	5.5
109.10147	6.1
117.18034	0.7
123.11655	3.3
133.68178	0.8
137.13220	1.4
182.13245	0.8
210.22177	9.1
228.23219	100.0
229.23485	1.4
246.24286	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05298	1.0
55.05516	12.7
56.05028	3.9
57.03434	1.1
57.07076	7.4
58.41728	0.8
60.04526	61.3
65.03933	0.8
67.05508	13.8
69.07071	13.1
69.32235	3.0
70.06593	9.7
71.05001	3.3
71.08628	3.3
73.85701	0.8
79.05482	1.8
81.06629	1.1
81.07064	15.7
83.08623	7.6
84.08129	1.3
85.02921	0.8
85.10181	1.3
88.07629	7.9
91.05484	1.2
93.07048	1.2
95.08614	18.0
97.10162	3.3
102.09182	2.4
104.99277	9.3
106.08665	4.7
109.10161	7.1
121.02851	1.3
123.11694	1.5
126.70206	0.9
168.93526	0.9
198.22168	18.0
210.22180	5.4
228.23228	73.5
229.23566	1.0
246.24294	100.0
247.24728	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.05267	0.9
55.05516	12.6
57.03440	2.4
57.07075	1.4
58.06598	4.3
60.39106	0.5
62.03337	0.7
62.05449	0.6
67.05506	10.9
69.07069	11.8
70.06602	7.1
71.08593	0.7
78.37476	0.5
81.07059	13.6
83.08617	4.6
85.06525	0.8
89.59219	0.6
95.08604	15.1
97.10184	4.6
109.10163	7.4
111.11716	0.9
123.11737	3.6
125.47626	0.8
137.13263	1.1
169.81989	0.6
186.18544	0.8
210.22168	12.6
211.20494	0.8
211.22491	0.7
228.23230	100.0
229.23486	1.8
246.24289	44.2
247.24460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06613	0.8
67.23609	0.7
67.56790	0.6
70.18373	0.6
93.23964	0.6
94.93060	1.1
96.92800	2.3
100.07632	0.9
101.00899	2.8
112.89575	1.5
114.89323	0.7
119.01936	3.6
143.01918	0.8
168.99773	0.8
187.00862	1.7
187.02357	1.0
205.01903	1.1
206.96249	0.9
215.00421	1.7
220.92082	0.9
229.03198	24.6
246.18132	1.5
246.90013	1.4
247.04268	100.0
248.04559	0.8
262.67505	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03934	4.5
53.04161	1.1
55.01883	1.1
55.05507	3.6
65.03926	3.8
67.05508	4.4
69.03429	15.7
69.07069	1.8
69.60184	2.4
69.60575	2.8
70.90649	1.3
79.05490	7.3
81.07048	8.3
83.04984	19.8
85.06541	1.3
91.04940	1.8
91.05479	15.8
93.03381	4.5
93.07049	13.7
95.04974	6.6
97.02904	7.6
104.99269	14.7
105.04482	1.3
105.07030	12.6
107.04942	1.9
107.08591	15.6
109.02874	18.8
109.06512	13.8
109.10132	1.7
109.59428	1.4
111.04449	6.6
115.05452	3.6
117.07023	9.1
119.08586	18.1
121.02863	3.6
121.06515	19.2
121.10142	7.5
123.04427	1.5
123.08067	2.1
128.06224	3.1
129.07010	6.6
130.07790	1.6
131.08568	18.9
132.05687	2.3
133.06540	1.4
133.10121	12.1
135.08049	25.7
137.05997	5.8
137.09633	2.8
139.03902	1.9
141.06955	2.3
142.07808	3.4
143.08592	10.0
144.05702	1.1
144.09341	9.9
145.06508	9.7
145.10123	11.6
146.07228	1.1
147.08026	4.5
147.11760	1.2
149.09613	20.3
150.10400	5.5
151.07491	1.4
151.11163	4.9
153.07011	1.5
155.08543	4.9
157.10083	4.6
158.07274	1.3
158.10899	12.2
159.08070	12.2
159.11691	28.0
160.08788	3.1
161.09618	4.1
161.13237	1.4
163.07533	20.1
163.11221	3.3
165.09097	1.3
168.09297	2.7
169.10191	2.0
170.10924	5.2
171.08083	6.7
172.08861	14.2
173.09621	28.2
173.13257	37.2
175.07497	1.7
183.11662	7.6
185.09592	1.7
185.13190	2.8
186.10419	27.8
187.07591	3.6
187.11185	100.0
189.09055	2.2
191.07039	24.2
193.10168	1.5
196.08836	4.8
199.07535	1.9
201.12746	62.4
205.12228	9.7
211.11180	10.8
214.09860	2.6
219.13791	6.6
229.12239	62.5
235.89505	1.2
247.13226	86.8
247.17113	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	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
53.03947	1.9
55.05514	74.4
56.05852	0.4
57.07072	1.5
58.06603	0.5
61.82519	0.3
65.45750	0.3
69.07079	0.3
70.03655	0.7
70.06595	1.8
71.08631	0.4
72.62523	0.3
74.06071	0.4
79.05528	0.5
83.04983	100.0
84.05314	0.5
88.07623	2.5
89.07986	0.5
91.05483	1.8
95.08627	0.4
101.06030	0.9
102.09170	0.7
104.99281	2.8
106.08666	1.6
117.07018	1.1
119.08590	11.8
129.07045	0.8
132.04617	0.3
132.05707	0.6
147.08052	27.1
148.08372	0.3
157.32341	0.3
184.20607	0.3
228.23286	0.7
229.23692	0.5
246.24307	10.4
247.13168	1.2
247.24614	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	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
51.40396	0.4
53.03952	2.0
54.21200	0.4
55.05513	76.8
56.05853	0.6
60.35437	0.5
67.70760	0.4
69.78303	1.2
79.05476	0.6
83.04982	100.0
84.05329	0.7
91.05487	5.4
93.07051	0.5
95.01315	0.4
95.55374	0.4
101.06006	0.9
103.05458	0.6
104.99278	13.7
105.07018	0.5
107.04955	1.5
117.07019	2.8
119.07738	0.9
119.08582	17.0
119.09423	1.0
129.07004	1.8
132.05696	3.8
136.30077	0.4
147.08051	42.4
150.84729	0.4
152.47697	0.5
203.53217	0.4
247.13199	1.4
247.20493	0.7
267.87613	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	CHEBI:67421
Peak:m/z	Relative Intensity
51.06604	0.3
53.03953	2.3
55.05512	72.9
55.85565	0.3
56.05845	0.4
67.05501	0.5
69.19463	1.8
82.74712	0.3
83.04982	100.0
84.05334	0.7
86.09689	0.3
91.05490	2.3
101.06018	0.7
103.33395	0.3
104.99265	3.5
105.06989	0.4
117.07027	1.5
119.08582	11.8
129.16519	0.3
132.05724	0.7
145.06488	0.9
147.08051	28.0
185.96307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1332
Annotation	Morinin A
Peak:m/z	Relative Intensity
53.03942	0.9
55.05512	13.5
55.05780	0.7
58.35254	0.4
63.23824	0.4
64.22229	0.4
69.32578	2.0
80.52711	0.4
81.07019	0.4
83.04982	100.0
84.05338	0.4
91.05470	2.0
93.07025	0.4
93.59968	0.4
95.68751	0.4
98.22776	0.7
98.98473	6.5
101.06033	0.9
101.15259	0.4
104.99277	11.4
107.04973	0.4
114.81236	0.4
117.07062	0.5
119.08585	4.3
119.42918	0.4
129.07022	0.6
145.06548	0.6
147.08054	11.6
147.09160	0.8
154.38632	0.4
173.02147	1.4
246.24184	0.5
247.05838	0.4
247.13333	0.9
247.20450	0.6
247.24574	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1807
Annotation	Aphyllidine
Peak:m/z	Relative Intensity
53.03957	0.3
53.40623	0.2
55.01877	0.4
56.05034	0.3
61.40949	0.2
64.08172	0.2
67.05502	1.0
67.05838	0.3
69.03419	0.3
69.07069	10.2
70.33138	0.5
77.03929	0.4
79.05489	0.8
81.07035	0.5
83.04964	0.2
84.08143	4.1
86.09707	100.0
87.10027	0.5
91.05486	2.9
93.07038	0.7
95.04971	1.7
95.08614	0.3
103.05472	4.1
103.12350	0.4
104.99268	1.4
105.04508	0.4
105.07035	2.4
107.08606	0.3
111.04436	0.8
115.05458	1.4
116.06261	0.5
117.07017	1.6
117.25143	0.2
119.08607	1.2
120.08104	5.3
121.06502	0.9
121.10092	0.4
122.09676	0.3
129.07011	0.5
130.07756	0.3
131.08583	1.0
141.06999	0.3
143.08565	0.7
145.06465	0.6
145.10117	1.2
146.09650	0.6
147.04395	0.7
147.08018	0.4
157.10150	0.4
158.07344	1.1
159.08063	1.5
159.11639	0.8
162.09131	2.2
171.11740	0.3
172.08821	0.6
173.09680	0.3
174.09142	0.6
183.11586	0.3
187.11150	0.8
188.14333	4.5
189.09187	0.3
196.08849	0.4
199.11168	0.6
201.12729	0.4
211.11194	0.4
225.49155	0.2
229.12253	0.8
230.15387	5.5
247.13597	2.5
247.18063	25.4
248.18340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1808
Annotation	Aphyllidine
Peak:m/z	Relative Intensity
61.87666	0.3
65.03940	1.0
67.05489	1.0
69.07067	1.7
70.14099	0.6
70.14467	0.6
75.02353	0.3
78.04716	0.4
84.08118	0.4
86.09708	31.3
89.03905	0.6
91.05483	20.9
93.15398	0.3
98.22870	0.4
102.04677	2.1
102.47565	0.3
103.01836	0.7
103.12347	4.3
104.99276	5.9
105.07007	0.5
107.08566	0.4
109.10191	0.5
115.05453	14.8
116.06250	3.3
117.07020	29.0
118.07362	0.4
119.05964	0.3
129.04495	0.3
129.10196	0.5
133.05179	0.3
145.06487	100.0
146.06842	1.1
162.09195	1.4
201.73822	0.3
230.15404	19.6
247.18068	59.1
248.18399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.077
Annotation	Unknow
Peak:m/z	Relative Intensity
64.61382	0.6
69.76710	1.2
69.77068	1.0
72.08158	1.6
82.99869	2.3
84.08121	1.0
90.82652	0.5
91.05482	1.5
93.07044	2.2
100.02487	3.6
101.00880	27.7
103.04770	0.7
103.05467	15.2
104.99239	0.9
109.64470	0.5
112.02472	0.6
115.17243	0.5
116.36051	0.5
118.03523	23.8
119.01922	100.0
119.09926	0.5
119.10828	0.6
120.02032	1.4
120.08105	66.0
121.08431	0.7
127.55463	0.5
130.03477	1.4
130.06528	1.4
131.04933	4.4
136.04581	4.8
137.02959	27.7
142.03484	1.5
150.51215	0.6
156.01352	0.7
157.59381	0.5
160.06067	4.2
174.02580	1.0
178.07071	2.8
179.05551	1.5
202.07132	16.3
203.05540	4.6
203.07115	0.9
205.07162	0.6
206.06636	6.1
220.08171	3.9
221.06593	20.9
230.06635	4.2
231.04993	1.2
238.09271	0.8
239.07700	4.2
248.07681	48.4
249.06038	10.2
249.08188	0.9
266.08743	32.0
267.07001	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	248.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02393	0.3
69.69031	0.9
71.04989	0.5
79.05476	0.3
80.05019	2.3
84.04497	0.5
91.05489	0.4
92.68578	0.2
94.06567	4.5
95.03720	0.3
95.04926	0.3
95.07346	11.2
103.05449	0.4
106.04183	0.4
106.06537	0.5
107.81840	0.2
108.04481	1.8
109.98959	0.2
119.04966	0.4
120.08099	1.5
122.06025	21.2
123.06810	21.1
125.78665	0.3
125.99931	0.3
128.49791	0.2
134.06029	0.7
147.04433	2.0
150.04243	0.3
150.05502	23.9
151.06279	100.0
152.07101	1.6
158.09709	0.3
178.05014	0.5
186.09137	1.0
202.12195	0.4
217.50798	0.3
220.13342	1.1
231.11256	0.6
245.86418	0.2
248.08839	1.0
248.12807	37.7
249.13220	0.5
249.15869	0.4
251.03304	0.3
269.84479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.8968
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22290	0.6
94.93014	100.0
112.89606	9.7
114.89339	21.9
116.84066	0.5
116.89137	3.9
136.94028	1.0
150.91963	3.3
163.13672	0.5
200.53438	0.4
202.89043	0.6
206.88586	19.7
212.85161	1.3
248.89647	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	249.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10780	3.3
69.28825	3.6
70.34810	7.4
70.35128	3.9
78.38272	3.5
85.30648	3.6
88.67202	3.5
93.51538	3.6
94.93023	100.0
96.92828	10.2
98.97594	11.3
101.00919	3.9
104.10751	30.8
105.11086	22.6
112.89594	10.8
114.89330	23.7
129.08418	3.5
146.08093	5.3
150.91965	4.4
156.07527	3.4
158.99660	5.8
177.00719	5.9
194.91135	3.4
206.88609	18.6
216.05653	3.3
248.89693	24.4
249.03722	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01870	11.4
55.05515	12.3
56.05841	5.3
57.03440	17.3
57.07066	2.7
58.06594	4.7
59.04992	9.1
61.02927	4.2
65.03956	3.2
67.05509	16.9
68.05841	4.3
68.99796	5.0
69.03432	67.3
69.07071	27.1
70.06605	11.6
70.07406	9.2
71.04998	9.5
71.06915	3.6
71.45786	2.5
73.02910	8.0
79.05496	17.0
81.03425	41.3
81.07047	24.5
82.07388	9.1
83.08603	4.4
84.08140	6.6
84.08945	3.0
85.02908	100.0
85.08462	2.2
86.06078	2.1
86.09708	78.7
87.00829	37.6
87.04485	3.3
91.05498	24.3
93.07033	14.5
95.04961	4.6
95.08628	16.6
96.08936	8.1
97.02890	47.7
98.10495	2.5
99.04462	26.6
104.99243	3.5
105.01857	21.1
105.07036	26.3
107.08595	6.2
109.02900	24.4
109.10178	5.6
110.09728	3.3
110.10515	4.2
115.03948	2.5
117.07029	7.0
118.97774	2.0
119.04932	8.2
119.08582	11.3
121.06509	2.2
121.10151	4.4
122.09696	4.1
127.03922	56.1
129.01886	2.2
129.07025	8.0
131.08556	10.7
133.10150	8.8
134.10542	3.0
143.08533	4.7
145.04968	9.7
145.10117	4.4
147.04408	37.6
147.11664	4.4
157.10165	2.3
159.02895	6.6
159.11726	3.9
161.09624	4.3
161.13240	3.9
171.11673	4.7
173.13191	4.1
189.03946	3.6
210.22107	3.7
212.22855	9.2
213.16418	5.2
214.16780	3.2
226.13571	2.6
228.23230	14.1
229.23505	4.4
230.19031	7.4
230.23869	99.4
231.05019	7.9
231.19354	3.8
231.24132	11.0
232.13391	11.0
232.16974	10.8
248.20164	19.6
248.24913	59.2
249.11240	3.2
249.15909	8.2
249.19769	40.1
249.25174	9.0
250.21666	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	249.0607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79097	1.9
53.03952	10.5
55.01879	13.0
57.03441	12.1
59.04998	4.0
61.02925	6.4
68.99780	5.0
69.03430	80.3
69.07110	2.3
70.82010	3.3
71.04979	7.1
73.02933	9.1
77.70972	2.1
79.05502	3.3
81.03417	44.4
83.01334	2.5
83.04958	2.2
85.02906	100.0
87.00343	3.5
87.00834	39.8
91.05483	5.0
93.07065	2.9
95.04958	3.8
95.08604	1.9
97.02270	2.2
97.02893	39.4
99.04453	27.6
101.02419	2.9
105.01862	21.1
109.02886	36.0
115.03909	3.3
119.08598	3.3
121.06479	2.3
121.10200	2.5
127.03917	66.1
129.01865	5.5
129.07034	4.8
131.08530	3.1
133.06491	2.0
143.08531	2.0
145.04924	9.6
147.08029	4.2
159.02898	3.1
159.08011	2.3
161.09628	2.8
187.07591	2.4
189.03911	2.5
193.08626	7.5
213.04025	2.5
213.12959	1.9
231.04933	9.2
231.13841	3.0
249.11000	10.0
249.14717	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	249.0759
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
53.03947	0.9
59.04995	3.2
68.30441	0.7
69.03433	4.4
69.07065	1.2
69.28112	2.8
69.28526	1.4
70.29585	0.7
79.05492	1.0
81.03437	1.7
81.07064	1.0
85.02905	3.4
86.09699	2.7
87.00850	1.2
91.05485	11.4
95.04975	1.2
97.02920	1.3
99.04451	1.8
103.05460	9.7
104.99251	1.5
105.03369	0.9
105.07040	1.4
109.02901	1.1
110.06084	0.9
115.05463	51.9
117.07024	86.7
118.04176	1.0
118.07336	0.9
124.07556	0.7
127.03912	2.0
127.05436	4.4
128.06227	1.8
129.07031	2.4
131.04906	4.7
132.05740	1.4
133.06505	3.0
142.04134	1.3
143.05009	3.8
143.05975	1.2
144.05702	1.4
145.06487	100.0
146.03603	5.4
146.06812	1.2
147.04393	1.9
147.08054	0.8
155.06047	42.7
157.69301	0.8
159.04416	29.8
160.05196	1.9
161.05954	8.6
161.13368	0.9
171.04390	10.8
172.05162	4.1
173.05986	31.7
174.03171	4.2
175.03912	3.0
187.03899	2.7
188.04568	0.9
189.05479	38.9
190.06277	3.8
191.03427	1.3
198.03200	1.3
199.05222	5.2
205.04967	2.8
205.08514	1.8
217.04968	79.0
218.05295	1.3
231.06549	11.6
232.13319	4.3
234.05208	3.7
249.07596	38.1
249.15646	2.7
249.18317	0.9
249.19615	0.8
258.07584	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
51.23901	0.2
57.03428	0.4
57.07085	0.3
59.04989	0.8
67.05492	0.9
69.03420	0.9
72.08145	0.3
73.79173	0.3
79.05487	0.7
84.08137	0.5
85.02856	0.3
86.09711	0.3
91.04940	0.4
91.05484	6.0
95.04964	0.5
97.02904	0.5
97.06535	2.4
98.22700	0.6
102.10771	0.3
103.05478	1.1
104.99297	0.5
105.07043	2.4
107.04961	2.0
108.88993	0.3
109.10133	0.3
115.05443	4.3
116.06239	2.5
117.05440	0.3
117.07023	1.9
118.07779	0.4
119.04934	1.1
119.08572	0.6
121.06535	0.5
123.26392	0.3
127.05412	0.3
128.06218	7.5
129.07002	17.0
130.07712	0.8
131.03969	0.4
131.04935	4.8
131.08568	15.1
132.05760	1.3
133.06488	2.4
133.10127	1.3
135.23131	0.3
137.05962	1.6
139.05414	0.6
141.06982	7.4
142.07777	4.1
143.04948	0.5
143.08554	2.8
144.05702	8.0
145.06490	5.5
146.07269	2.6
147.04388	3.4
147.08046	0.8
148.04742	0.3
152.06281	0.7
153.06987	1.7
155.04865	0.4
155.06032	1.0
156.05688	1.8
157.06487	8.4
158.07259	1.9
159.04433	0.6
159.08058	25.4
160.05283	1.3
161.05983	3.0
161.09618	5.7
167.07057	0.7
169.06418	1.3
169.07619	3.0
170.07265	6.9
171.04378	1.4
171.08046	5.3
172.05203	3.0
173.05978	3.6
174.06758	2.2
175.07532	2.9
177.05490	0.6
178.04871	0.3
178.06206	0.7
181.07623	0.6
184.05251	0.5
185.05968	0.7
186.06763	0.5
187.07532	14.9
188.08336	0.8
189.05437	2.4
189.09103	6.8
190.06223	1.1
190.09618	0.4
191.06999	1.1
192.07863	0.5
193.08595	0.8
198.06750	1.2
199.07509	2.6
201.05444	1.2
202.06071	0.3
202.12178	1.4
203.07034	5.5
204.07811	11.1
205.08586	1.3
206.09381	1.1
216.07800	2.9
217.08530	1.1
218.09326	1.3
219.10121	1.6
221.08052	1.1
221.11667	2.5
231.10175	5.3
231.15050	0.7
233.11722	1.4
234.08859	1.1
249.11211	100.0
250.11539	1.4
250.14201	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Microhelenin F
Peak:m/z	Relative Intensity
57.79802	0.4
62.43018	0.4
69.03424	0.8
69.12349	1.0
69.12754	1.5
70.91859	0.4
76.57870	0.5
78.41702	0.4
86.09717	0.9
91.05486	5.5
91.06682	0.5
97.64165	0.5
103.12357	0.9
104.33483	0.4
105.07031	2.0
107.04949	1.8
107.62537	0.4
108.53035	0.5
115.05449	3.4
116.06257	2.2
117.07034	2.5
119.04931	3.7
128.06219	5.9
129.07018	14.4
130.07800	0.7
131.04927	1.3
131.08572	13.9
132.05664	0.6
133.06496	1.9
133.10141	0.8
139.05472	0.6
141.06993	7.4
142.07779	3.1
143.04868	0.6
143.08551	3.3
144.05708	6.8
145.06490	4.5
146.07259	2.0
147.04408	15.6
147.08089	0.8
148.04752	0.6
152.06201	0.7
153.07016	1.8
155.06075	1.3
156.05710	2.1
157.06499	6.3
158.07310	1.5
159.08061	21.9
160.05246	1.2
161.05988	2.8
161.09641	5.4
163.24588	0.5
167.07050	0.7
169.06444	1.1
169.07645	2.9
170.07268	6.9
171.04395	1.2
171.08049	4.9
172.05196	2.7
173.06027	4.1
174.06769	2.0
175.07579	2.3
178.06201	0.8
185.06073	0.7
186.06700	0.8
187.07542	14.5
188.08311	0.7
189.05463	1.9
189.09096	7.0
190.06238	1.4
191.06998	1.0
193.08641	0.8
198.06775	1.2
199.07556	2.1
201.05450	0.8
203.07028	4.1
204.07819	10.9
205.08611	1.3
206.09303	1.0
216.07808	2.4
217.08653	0.6
218.09404	1.4
219.10161	1.5
221.08124	0.7
221.11726	2.7
231.10165	6.0
234.08784	0.6
242.18477	0.5
249.11226	100.0
249.15895	4.2
250.11546	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1123
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01874	0.7
57.03431	0.9
59.04990	1.1
65.63441	0.4
66.07918	0.3
67.05515	0.9
69.03432	1.9
69.07034	0.4
69.91019	0.9
71.01344	0.4
71.16843	0.3
79.05477	0.9
81.03415	1.1
81.07056	0.4
83.56719	0.3
84.08160	0.6
85.02911	2.2
86.09738	0.4
87.00818	0.8
89.07993	0.3
90.97694	0.4
91.05479	6.4
92.05708	0.3
97.02880	1.2
97.06554	2.0
99.04482	0.6
99.57352	0.3
101.36973	0.3
103.05469	1.5
104.99281	0.5
105.07011	2.6
107.04955	1.3
109.02887	0.5
113.74232	0.4
115.05442	3.9
116.06230	2.7
117.07001	2.7
119.04935	1.4
119.08651	0.5
121.06500	0.5
127.03918	1.0
128.06216	8.9
129.07010	16.2
130.07791	0.8
131.04935	8.8
131.08563	16.5
132.05678	1.2
133.06516	2.1
133.10101	1.5
137.05965	1.6
139.05374	0.5
141.07001	8.1
142.07780	4.4
143.04922	0.8
143.08578	2.9
144.05707	7.7
145.06483	3.9
146.03517	0.4
146.07272	3.2
147.04427	4.9
147.08070	0.6
148.04742	0.8
152.06218	1.3
153.06987	1.7
155.04909	0.5
155.06042	1.4
156.05696	1.3
157.06476	8.2
157.07655	0.6
158.07243	1.8
159.04439	0.7
159.08054	24.4
160.05177	0.8
161.05994	2.9
161.09601	6.4
167.07048	0.6
169.06451	1.4
169.07719	2.8
170.07260	7.3
171.04379	1.0
171.08025	5.5
172.05182	2.4
173.05980	3.4
174.06738	1.3
175.07478	1.9
175.11154	0.3
176.04459	1.6
178.06396	0.9
184.05183	1.0
185.05966	1.0
186.06792	1.1
187.07527	16.5
188.08290	1.1
188.16370	0.4
189.04016	0.4
189.05496	2.1
189.09097	7.9
190.06248	1.1
191.06998	1.3
192.07768	0.7
193.08595	0.7
198.06754	2.1
199.02658	0.4
199.07542	2.3
201.05466	1.3
202.12257	2.2
203.07021	6.1
204.07814	11.5
205.08577	1.4
206.09428	0.9
216.07817	3.3
217.08456	0.9
218.09431	1.2
219.06407	0.5
219.10188	1.7
221.08067	0.7
221.11620	1.8
231.10126	5.6
231.15044	2.3
233.11757	1.7
234.08900	0.9
249.07588	4.0
249.11211	100.0
250.11615	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1599
Annotation	NP 25302
Peak:m/z	Relative Intensity
57.28975	0.2
59.05005	0.5
65.03925	0.2
69.07069	0.4
70.06572	0.2
71.81618	0.2
72.08154	0.9
74.03844	0.2
82.16391	0.2
84.08135	0.3
86.09705	11.2
91.05479	4.5
96.37769	0.2
102.09148	0.2
103.12343	9.0
105.03389	0.4
112.07574	0.2
119.04942	18.9
129.10233	0.8
131.04947	1.2
131.05783	0.2
133.02856	1.2
134.06052	0.3
147.04407	100.0
148.04750	1.6
161.09714	0.2
162.05533	0.2
178.05826	0.3
202.12299	0.5
204.10132	1.3
221.12910	0.5
229.49054	0.2
231.14922	0.3
232.09747	0.4
232.13316	2.0
240.76430	0.2
249.15967	28.7
250.16132	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.16
Annotation	NP 25302
Peak:m/z	Relative Intensity
59.04984	0.2
69.07059	0.7
69.08011	0.2
69.49599	0.3
69.49977	0.4
74.02727	0.2
77.49016	0.2
86.09713	17.9
91.05491	5.6
98.23444	0.4
103.12347	13.1
106.32245	0.2
106.86082	0.2
112.07669	0.3
119.04950	22.0
129.10248	1.0
144.81499	0.2
147.04413	100.0
148.04753	1.4
150.22322	0.2
185.21182	0.2
206.11705	0.3
232.13339	1.4
249.15994	24.5
250.14258	0.4
250.16533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.3
53.19066	0.2
55.05509	0.8
56.05028	0.4
59.05002	0.6
67.05492	0.9
69.03413	1.2
69.73849	0.5
72.08167	1.7
72.08498	0.3
77.03935	0.5
79.05499	0.4
81.03436	0.6
81.04862	0.3
83.01349	0.2
84.08139	4.2
85.02907	1.7
86.09720	0.4
87.00810	0.6
91.05466	0.5
95.04986	0.3
97.02877	0.8
97.06551	1.1
98.22615	0.2
99.04446	0.5
101.10770	1.1
102.09167	1.2
103.05463	15.6
104.05828	0.2
105.01878	0.4
105.07049	0.3
109.02881	0.6
109.06516	0.2
119.04955	0.5
119.11821	0.7
127.03893	0.9
131.04924	100.0
132.05251	1.4
133.02864	0.3
133.06424	0.2
137.05954	0.5
145.05045	0.2
147.04401	4.1
148.07556	2.0
149.27914	0.3
159.08052	0.4
160.07584	1.0
170.26372	0.2
180.56415	0.2
187.07567	0.3
202.12265	35.1
203.12569	0.7
214.12282	4.2
219.10094	0.3
228.42558	0.2
231.14919	31.0
232.13214	0.6
233.11705	0.8
237.56268	0.2
249.07204	0.5
249.10971	12.8
249.15971	13.8
250.11327	0.3
250.16295	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	4Z,7Z,10Z,13Z-hexadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03941	1.1
55.01869	9.3
55.05512	9.9
55.56433	0.4
57.07073	2.6
59.04992	1.5
65.03941	0.6
65.89630	0.5
67.05501	9.8
69.03428	0.9
69.07065	9.4
69.67949	1.7
71.04984	0.6
71.08600	0.7
74.37833	0.4
77.03927	0.6
79.05493	9.6
81.07055	38.8
83.04987	3.3
83.08615	2.6
85.06543	0.8
91.05473	5.3
93.07042	8.5
95.04987	0.9
95.08600	9.9
97.06526	1.7
104.99256	0.8
105.07038	7.6
107.04961	0.4
107.08591	8.4
109.06517	13.1
109.10143	5.9
111.04441	18.3
111.08089	1.8
117.07021	0.7
119.08582	10.4
121.06506	0.7
121.10135	7.7
123.08075	4.3
123.11691	4.4
125.05998	5.9
125.09657	0.6
128.06256	1.0
129.06987	0.5
131.08542	1.6
133.06566	0.5
133.10138	8.5
135.08055	7.2
135.11685	4.3
137.05975	100.0
137.09579	1.5
137.13246	3.0
138.06673	0.9
139.07501	0.7
142.07780	1.0
143.08524	2.4
145.10129	2.4
146.07216	1.4
147.08018	2.1
147.11684	11.7
149.09615	4.4
149.13249	3.2
151.07541	4.3
151.11185	2.4
156.09416	0.6
157.10104	3.1
159.11658	1.2
160.08810	1.1
161.09618	14.6
161.13274	5.2
163.11166	5.3
163.14793	1.9
165.09120	2.3
165.12755	1.3
167.10680	1.6
171.11653	1.6
173.13235	0.7
175.11182	10.7
175.14835	2.5
177.12755	1.4
177.16365	0.6
178.75877	0.4
179.10666	3.2
181.12187	0.8
185.13202	0.6
189.12733	2.1
193.12222	3.0
203.14253	0.5
203.17943	14.7
205.19499	1.2
207.13849	0.7
213.16377	5.1
221.19014	5.1
231.17435	17.9
249.18472	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	249.1962
Annotation	Epinitraramine
Peak:m/z	Relative Intensity
53.63905	0.5
55.01837	0.5
56.05038	0.5
59.04992	2.1
64.18633	0.4
67.05492	1.1
69.03426	1.5
69.07067	12.3
70.06581	0.7
71.46161	0.5
79.05492	3.5
79.05878	0.5
81.03444	0.6
81.07066	1.2
84.08155	3.3
85.02905	1.3
86.09705	100.0
87.00822	0.8
91.05485	7.4
92.91733	0.6
93.07044	0.9
95.04943	1.1
95.08623	0.6
97.02902	1.2
99.04441	0.9
103.05490	0.8
103.12322	1.0
104.06269	1.1
104.99274	1.2
105.07063	0.9
107.08599	0.6
109.10164	0.7
110.06038	1.4
115.05449	1.0
117.07021	1.5
119.04951	1.7
119.08597	3.0
122.09663	5.2
127.03899	0.8
130.86617	0.6
131.08505	0.7
133.02853	0.6
134.09634	0.7
147.04417	9.0
148.11214	0.8
161.09637	0.7
164.10771	2.8
166.12250	0.7
176.10745	0.7
176.52435	0.6
190.15891	2.6
229.23557	1.2
231.24164	2.1
232.16953	11.3
249.15573	1.8
249.19630	55.5
250.21967	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
61.02922	0.8
69.03426	2.0
70.06596	2.4
70.77200	0.6
81.03415	0.8
85.02905	13.7
88.07630	100.0
89.07961	0.6
97.02891	2.6
98.98467	1.9
99.04446	0.3
105.10282	1.4
109.02881	1.2
116.11243	0.2
119.04973	1.4
127.03921	2.3
127.82256	0.2
137.84964	0.3
145.04909	1.4
147.04395	5.1
160.11115	0.2
172.04063	0.2
177.07814	0.9
188.77612	0.2
206.11768	4.6
217.07372	0.5
221.08261	0.3
224.79065	0.2
232.09663	0.8
233.12808	0.6
250.10674	0.6
250.14757	1.6
251.13916	0.5
260.24884	0.3
265.57318	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29033	0.3
52.41291	0.2
55.01867	0.3
55.05504	0.6
57.03431	0.6
61.02926	1.3
68.27383	0.2
69.03438	3.0
69.75980	0.4
69.76321	0.8
70.06586	2.3
73.02926	0.3
73.32443	0.2
79.52626	0.3
81.03429	1.3
85.02907	15.3
88.07633	100.0
89.00884	0.3
89.07988	0.3
93.18939	0.2
97.02910	2.3
98.23414	0.3
98.98467	3.7
99.04480	0.4
105.10268	1.0
109.02869	1.6
113.62331	0.3
115.03915	0.3
118.25488	0.3
119.04975	0.8
127.03931	2.4
145.05006	1.6
147.04405	4.3
164.07097	0.8
171.29414	0.3
177.07855	2.1
206.11766	8.7
206.13608	0.5
209.07735	0.3
232.09654	0.5
233.12935	0.3
250.10701	0.6
250.14731	2.6
251.13901	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	250.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.8
59.05005	14.7
65.04053	1.0
65.86134	1.0
67.05508	2.1
69.07066	16.2
70.06567	1.4
70.16536	2.3
75.18354	1.1
79.05491	8.6
80.11828	0.9
88.07657	1.5
89.07088	1.0
91.05479	20.2
92.21677	1.2
97.06528	66.4
98.06872	1.2
98.08026	1.0
98.98467	100.0
116.99562	2.1
119.04940	9.7
129.06958	1.2
132.08868	1.7
135.04436	1.1
137.05980	82.1
142.47533	0.9
147.04388	6.6
163.03934	1.4
174.99242	3.6
188.07971	1.1
189.09111	3.3
233.11728	75.0
234.12196	1.0
250.11522	9.2
250.14378	10.8
250.18100	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	250.2167
Annotation	dendrobane
Peak:m/z	Relative Intensity
52.02808	1.2
53.03933	2.4
55.01865	2.8
55.05513	23.7
56.05029	5.6
57.03443	6.3
57.07070	3.4
58.06587	4.5
58.58147	1.1
59.45423	1.1
60.04508	1.3
60.92738	1.0
64.74586	1.2
65.03928	5.2
67.05507	100.0
68.05031	1.9
69.03423	2.8
69.07069	17.4
69.12733	1.9
69.13133	5.7
70.06597	21.7
71.04990	2.6
72.04518	12.5
74.06082	4.2
77.03918	2.9
79.05496	63.7
81.05768	1.7
81.07058	60.4
82.06563	5.7
83.04991	1.8
83.08624	6.6
84.08138	6.0
85.06540	2.4
86.06061	11.0
91.05483	44.1
91.06059	2.4
93.07047	57.4
94.06568	8.3
95.04956	8.7
95.08606	64.0
96.08139	9.3
96.08708	1.4
97.06535	2.4
97.10163	3.0
98.09693	4.4
98.23438	2.5
98.98486	10.9
100.07615	5.2
105.04508	2.1
105.07034	32.1
107.07420	1.6
107.08589	33.6
108.08134	6.2
109.06516	3.9
109.10158	21.3
110.09689	7.9
111.08087	5.6
112.07606	2.2
112.11214	5.6
117.07037	10.5
119.08578	25.1
120.08105	1.8
121.10151	23.0
122.09641	7.5
123.08081	3.0
123.10434	4.2
123.11716	5.4
124.11234	3.8
126.09205	2.9
131.08565	17.7
133.10136	19.5
134.09647	4.3
135.11703	10.5
136.11226	3.5
138.12788	3.2
140.10707	5.2
145.10127	17.2
147.11690	8.8
148.11176	7.4
149.09624	1.4
149.12157	1.7
149.13222	8.9
150.12752	2.5
151.11116	1.5
152.14319	1.2
159.11703	12.3
161.13242	6.3
162.12814	2.0
163.11169	1.5
163.13545	3.3
163.14847	3.8
173.13271	7.5
175.14807	6.0
177.16466	1.8
187.14827	2.1
189.16364	2.3
215.17973	11.3
230.19104	1.3
232.20605	44.1
233.18965	2.5
233.20982	1.6
250.17836	20.6
250.21658	93.1
251.22070	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	250.9357
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35568	0.5
56.05040	0.7
58.34619	0.5
64.07911	0.5
70.06615	1.4
71.16220	0.5
72.08147	1.9
72.09698	0.5
73.02917	0.8
74.06091	0.6
81.03391	0.7
84.08161	1.1
85.02917	1.0
86.09695	1.3
88.07655	0.8
91.05487	0.9
94.93018	4.7
97.02887	1.2
97.71777	0.6
98.98469	100.0
104.05324	1.0
105.10272	1.3
106.96652	0.6
112.88087	0.5
116.98707	0.8
116.99448	2.6
119.01920	1.2
119.04954	2.1
127.03942	0.6
134.06020	1.3
143.01941	0.7
147.04407	11.8
161.05576	0.6
163.02727	0.6
163.03873	3.1
174.99232	4.2
176.93524	10.2
180.65601	0.6
196.00989	1.3
206.94577	2.7
210.06055	1.1
214.01842	0.6
228.03726	0.8
233.12846	1.5
234.11230	0.9
238.18224	0.7
250.93565	0.7
251.02751	0.8
251.08942	1.0
251.13962	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	250.9356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80058	6.8
72.08149	30.1
80.13087	6.0
86.88230	7.4
88.07616	7.0
89.10793	12.1
94.06503	6.2
94.93017	100.0
96.92825	21.1
98.98467	23.2
117.03387	6.8
119.04929	16.5
135.04439	10.9
141.12270	6.9
145.02750	8.8
147.04417	58.1
163.03920	76.7
176.93484	27.8
188.93529	24.1
206.94606	58.7
217.58502	6.7
233.12817	10.6
234.11301	15.1
235.68907	8.3
250.89459	8.6
250.93591	24.0
251.13976	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	251.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.4
69.07063	0.3
69.29833	0.6
69.30249	0.9
70.06230	0.5
70.06596	6.4
72.08156	0.3
77.01606	0.6
87.09239	0.6
88.07632	9.7
91.05491	4.5
91.09364	0.3
94.08466	0.3
94.39975	0.3
98.98470	100.0
105.10270	8.3
107.04980	0.3
107.33305	0.3
110.07108	0.3
110.33374	0.3
116.98708	0.4
116.99506	1.9
119.04945	17.0
121.06527	0.6
131.08144	0.4
138.19279	0.3
145.96709	0.4
146.06018	0.9
147.04410	83.4
148.04752	1.2
163.03946	0.4
174.99237	5.1
177.05447	0.4
204.10225	4.2
205.98766	0.7
206.11665	0.3
207.12061	1.4
229.00204	0.3
233.12848	11.2
234.11234	1.5
251.13914	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	251.1393
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
53.50803	0.2
65.03947	0.4
69.58965	0.3
70.06595	10.7
71.04993	0.3
72.08138	1.6
75.84543	0.3
77.01570	0.4
79.01328	0.3
87.09234	0.6
88.07632	22.3
89.10783	0.8
91.05482	5.4
98.98470	95.9
105.10270	19.9
105.11001	0.7
116.98692	0.5
116.99510	2.3
117.03352	0.3
119.04945	20.8
121.06538	0.5
135.04424	0.7
136.06194	0.4
145.02826	0.8
145.06430	0.3
146.06058	0.5
147.04410	100.0
148.04768	1.2
149.06000	0.4
160.07556	0.5
163.03915	4.2
164.07101	0.3
164.77921	0.3
174.99216	4.4
175.01906	0.3
177.07890	0.4
178.08208	0.6
192.04857	0.4
195.58786	0.3
202.20375	0.3
204.10197	5.5
206.11781	0.8
207.12100	4.2
233.12857	14.3
233.15231	0.7
234.05708	0.4
234.11226	1.9
234.13103	0.3
251.08452	1.2
251.13911	13.8
255.59802	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1392
Annotation	N-Caffeoylputrescine
Peak:m/z	Relative Intensity
52.17020	0.6
55.19619	0.5
59.04995	0.6
70.06599	9.7
70.77136	0.6
70.98594	0.5
72.08159	20.9
73.20546	0.5
73.38706	0.5
88.07635	21.8
89.03936	2.2
89.07969	2.3
89.10799	14.5
91.05489	4.8
98.06040	0.7
98.98473	100.0
105.10269	14.3
107.04974	1.9
115.08710	1.1
116.99533	1.3
117.03383	4.9
119.04949	17.8
135.04416	12.0
136.06204	2.9
145.02855	11.1
145.03937	1.0
147.04414	86.3
148.04764	1.4
156.71555	0.5
163.03911	78.7
164.04256	1.2
174.99225	5.6
178.08156	0.6
204.10175	4.4
207.12143	1.7
218.07602	0.6
233.10594	0.4
233.12868	11.2
234.07806	0.7
234.11272	12.5
234.13481	0.9
251.13918	31.6
270.65430	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	0.3
70.06593	7.7
70.36859	0.5
70.42241	0.2
87.09219	0.9
88.07632	10.5
91.05479	4.9
98.98471	27.0
105.10276	9.9
110.07124	0.3
114.18356	0.2
116.99454	0.3
119.04947	18.4
130.02705	0.2
131.08173	0.5
147.04411	100.0
148.04756	1.3
163.03899	0.3
174.99272	1.4
204.10193	5.2
207.12114	0.6
216.10034	0.3
233.12851	13.4
234.11261	1.9
234.13271	0.3
251.13922	15.8
252.14243	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03328	0.3
65.03941	0.5
65.75082	0.2
68.05064	0.3
70.06596	12.9
71.07899	0.3
72.08163	1.1
77.01578	0.4
82.95988	0.3
85.02917	0.7
87.09244	0.7
88.07634	33.8
89.07951	1.9
91.05486	6.7
95.08621	0.3
98.98471	69.0
105.10271	28.0
109.35709	0.3
116.99530	1.2
119.04947	23.5
131.08174	0.3
133.78903	0.3
136.06154	1.7
147.04413	100.0
148.04745	1.5
163.03949	0.6
174.99222	3.2
184.07779	0.3
193.96262	0.3
204.10213	5.3
205.98743	0.4
207.12198	0.7
233.12852	11.7
234.11148	1.4
251.11249	0.5
251.13908	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	252.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	48.1
59.40734	4.0
60.17099	4.6
70.06582	7.6
71.45901	4.9
72.08140	7.2
81.48634	4.7
86.09710	45.0
90.09197	4.4
93.07027	4.2
98.98469	93.5
102.96862	12.4
107.04963	5.6
111.21079	4.3
119.01908	6.8
119.04929	8.7
120.97910	4.9
121.06496	9.9
134.05046	8.3
134.06010	100.0
136.06181	31.5
136.07565	7.7
136.14415	4.6
140.03828	6.3
142.05406	8.3
147.03419	4.4
147.04411	28.2
148.04739	15.9
156.97461	29.7
158.04892	13.8
160.06439	16.4
163.03787	4.3
164.04237	5.0
164.07069	9.4
170.04851	9.5
174.98537	18.0
177.00993	10.0
188.05942	16.0
192.05017	14.7
193.01678	6.1
203.02438	8.8
206.04152	5.7
206.07011	41.7
208.10327	6.7
210.06200	27.4
211.02779	9.7
224.05347	25.5
224.08044	48.7
229.08508	10.1
234.06166	58.0
242.06429	13.7
247.01437	18.8
247.09769	6.8
247.27026	4.9
252.03186	18.5
252.05194	10.5
252.07268	71.8
252.14326	8.0
270.05954	62.9
270.08514	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	252.0868
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
57.55116	0.4
65.03932	0.8
69.26643	0.4
69.93661	1.2
70.02977	2.3
70.03288	0.4
74.02440	28.3
76.20176	0.4
88.03993	49.9
91.05481	100.0
92.05839	0.7
98.02435	0.7
98.22831	0.6
98.98463	8.4
99.00815	1.0
108.36609	0.4
116.03458	14.7
134.04489	59.1
136.06186	2.2
136.07564	1.2
146.05991	0.8
205.98758	1.1
206.08110	2.1
234.07611	4.9
252.08745	2.4
252.14371	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99780	0.5
69.58542	0.3
70.02966	0.7
70.56158	0.5
71.97743	0.3
72.33589	0.4
87.00831	2.7
91.05501	0.9
93.07053	1.1
96.53036	0.4
98.98469	7.6
103.05465	7.4
116.53266	0.4
118.06538	8.7
120.08105	100.0
121.08495	0.8
122.25748	0.4
128.04956	1.7
131.04944	0.6
136.06190	0.9
144.07993	0.5
146.06007	18.4
148.07625	0.5
160.07524	0.4
164.07068	0.5
166.08611	1.5
188.07062	18.9
192.06560	1.3
206.08127	70.5
207.08490	1.8
216.06525	0.9
234.07579	2.1
252.08664	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	13.6
70.58408	0.4
71.14134	0.3
71.95255	0.7
74.97594	0.5
81.07003	0.4
84.96008	0.4
91.05464	0.4
95.34866	0.3
98.97831	0.6
98.98468	11.3
110.97578	0.4
115.00713	0.5
119.01718	0.3
129.02243	0.5
130.61072	0.3
133.10155	0.4
137.02734	0.4
139.00620	0.4
143.03709	0.4
145.20885	0.3
147.03355	0.6
151.04349	0.4
153.02205	0.7
155.03775	2.0
155.07991	0.4
157.01749	0.3
165.05766	0.3
167.03728	0.7
170.60086	0.4
171.03296	0.5
173.04881	2.8
174.99200	0.4
179.74339	0.3
181.05359	3.5
183.06889	3.0
185.04832	1.6
185.08504	0.9
191.05914	0.5
199.06424	16.2
201.06308	0.6
201.07991	7.3
203.05954	1.8
203.09515	1.2
205.98740	0.6
211.06372	8.2
217.07468	13.2
219.09015	3.2
222.07895	0.7
229.07468	100.0
230.07777	1.4
235.08522	0.6
240.09143	0.4
247.08530	56.5
248.08936	0.9
252.09077	8.0
252.15875	1.0
253.09297	0.6
270.10059	2.3
272.07773	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67819	2.8
55.01861	4.9
56.96573	3.8
69.15222	18.9
79.05499	6.3
86.76826	2.9
87.04516	3.3
91.05482	18.0
93.07042	15.4
95.04955	6.2
98.98466	100.0
103.05480	23.9
104.06261	5.7
105.07036	37.6
107.04991	5.9
115.05455	8.0
117.03413	3.1
118.04129	3.4
121.06516	30.7
122.06834	3.4
131.04932	32.1
132.05717	17.6
133.06500	38.7
135.04437	3.3
139.03888	8.7
143.06036	3.5
147.04495	4.2
148.29832	3.0
149.05974	82.6
150.06380	4.2
150.29448	2.7
154.06245	55.1
158.69087	2.7
160.05144	8.9
161.05983	72.2
162.06757	3.5
163.97707	3.3
164.08385	3.9
167.07030	72.4
177.05502	24.9
177.32202	2.9
178.05836	26.6
179.07014	7.2
181.08591	42.3
182.09381	33.6
192.07768	27.1
193.08595	28.4
205.98816	8.5
209.08078	80.5
210.08801	64.9
223.09610	3.2
229.07411	6.3
252.09933	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1093
Annotation	5'-Deoxyadenosine
Peak:m/z	Relative Intensity
50.26678	0.1
69.03430	0.6
70.06639	0.2
70.36536	0.4
71.04981	1.0
73.02914	0.9
73.06562	0.2
81.03422	0.4
85.02914	0.2
85.06541	0.2
90.09121	0.2
94.04033	0.4
98.98476	4.3
99.04465	1.5
116.99534	0.2
117.05500	2.6
119.03548	0.7
136.06189	100.0
137.04625	0.3
137.06577	0.4
148.04779	0.3
162.04092	0.2
186.81282	0.2
194.51480	0.2
205.98767	0.4
252.08559	0.3
252.10893	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	252.2325
Annotation	Pumiliotoxin 251D
Peak:m/z	Relative Intensity
53.03926	4.3
55.05513	20.2
56.05028	4.8
56.96558	2.8
57.03450	5.4
57.07074	3.6
65.03930	2.8
67.05164	4.9
67.05508	78.8
69.07072	16.2
70.06601	37.8
70.17529	5.3
79.05494	47.2
81.06626	3.8
81.07059	46.5
82.06561	5.0
83.08607	7.4
84.08128	9.7
85.06555	2.4
91.05489	40.0
93.07044	56.1
95.04971	7.5
95.08609	53.0
96.08113	7.2
97.10149	2.7
98.09695	4.9
98.83939	2.4
98.98473	98.9
105.07034	26.3
107.08588	25.3
109.10169	20.9
110.09689	3.8
112.11270	2.4
116.99449	2.7
117.06966	3.6
119.08597	18.0
121.10132	15.8
123.11726	2.9
124.11192	6.2
133.10138	9.8
135.11682	10.7
138.12767	4.7
147.11681	12.3
149.13232	3.1
152.66214	2.1
161.13222	5.7
163.14719	3.1
164.14381	2.9
176.98933	2.3
185.70956	2.8
205.98891	3.0
234.22142	71.2
252.23222	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.6
57.03443	1.4
59.04996	2.0
61.02925	1.9
63.29668	0.5
69.03431	4.6
70.06597	0.5
71.00037	0.7
73.02936	0.8
73.06558	100.0
79.05485	0.5
81.03418	1.4
85.02908	21.3
91.07594	4.5
97.02892	3.9
98.06085	0.5
98.98473	56.6
99.04496	0.6
100.98869	0.5
101.85088	0.4
109.02893	1.2
116.99563	1.0
117.05558	0.5
125.07117	0.9
127.03979	2.6
127.04750	0.5
136.06187	3.6
137.05666	0.7
137.06709	2.6
141.05455	0.6
145.04968	2.3
159.02939	1.3
174.99255	1.4
176.99025	1.5
179.10699	0.5
186.99181	0.9
195.11281	4.2
197.11746	0.6
203.12766	0.5
219.05013	2.6
230.98166	0.5
248.99193	0.6
254.16072	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	253.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45633	0.5
55.05509	3.6
57.07074	1.8
65.03933	0.8
67.05505	6.0
69.07069	6.0
69.33816	2.2
71.08632	0.9
79.05495	4.9
81.03408	0.7
81.07060	15.5
83.08642	2.6
91.05483	6.1
91.17884	0.5
93.07044	8.4
95.04984	0.7
95.08608	13.4
97.10143	1.0
98.22749	0.9
98.98471	25.8
99.02670	0.7
100.98896	0.7
103.02161	1.0
105.07036	33.8
107.08593	10.8
107.09265	1.1
109.02875	1.4
109.10159	11.2
111.02676	1.9
116.99500	0.6
117.03703	1.1
117.07030	1.7
119.08583	81.6
120.08884	0.7
121.10141	8.8
123.11713	6.8
129.03702	1.5
131.08577	1.5
133.10139	12.2
135.11699	3.0
137.13246	2.9
145.10123	2.1
147.11690	14.6
149.13245	2.5
151.05826	0.7
159.08359	0.7
159.11687	3.3
160.12485	0.6
161.13277	5.1
163.14859	2.6
169.06763	0.9
169.19077	0.6
175.11282	0.8
175.14807	1.5
176.98924	0.5
177.16383	3.1
179.08879	0.7
191.17909	0.6
197.09822	0.8
201.16455	1.7
203.17949	13.2
211.11089	0.7
221.11755	1.5
235.15167	1.1
253.16216	100.0
254.16534	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.1
57.07062	0.9
61.01148	0.4
67.05506	4.0
69.07068	3.6
69.76565	0.5
69.76901	0.8
70.30296	0.4
77.03904	0.4
79.05497	3.2
81.06629	0.7
81.07063	9.9
83.08617	1.7
89.00623	0.9
91.05484	3.7
93.07050	8.7
95.04964	0.5
95.08611	19.7
97.10165	0.9
98.23449	0.4
98.98474	9.5
99.02639	0.4
101.82445	0.4
105.07037	13.4
106.57143	0.4
107.08601	13.6
109.02844	0.4
109.10162	12.9
110.07069	0.4
111.92043	0.4
112.21238	0.4
117.64528	0.4
119.08575	9.9
121.10141	7.9
123.11719	3.5
128.63837	0.5
131.08556	1.0
133.09177	0.6
133.10136	8.9
135.11723	2.0
145.10149	1.4
147.11691	18.0
147.12877	0.9
149.13303	0.5
159.11656	0.8
161.13261	9.5
161.14531	0.7
163.14807	1.4
165.07224	0.5
175.14824	3.6
177.16389	2.4
197.09938	0.9
197.83946	0.4
201.16394	1.2
203.17961	47.4
204.18292	1.0
221.11700	0.5
235.15150	1.3
253.16220	100.0
254.16634	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	253.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.07071	1.4
65.01797	0.5
66.43002	0.6
67.05510	4.3
69.07075	4.9
70.87116	0.5
77.00662	0.9
79.05482	2.2
81.07056	10.9
83.08632	1.5
91.05467	4.0
93.07054	5.5
95.04946	0.8
95.08599	7.9
97.10170	0.9
98.98472	37.0
105.07035	27.7
107.08018	0.8
107.08605	7.9
109.06477	0.6
109.10153	5.3
111.02633	1.1
113.04147	0.7
116.99432	0.8
117.07018	1.2
119.08585	77.2
119.70779	0.6
120.08857	1.0
121.10155	7.3
123.11698	4.5
129.03725	1.2
131.08536	0.8
133.10152	6.8
135.11665	2.4
137.13242	2.4
145.10130	1.4
147.11682	8.5
149.13257	2.0
159.11668	2.2
161.13280	3.5
163.14830	1.8
166.08009	0.6
174.99344	1.3
177.16393	2.0
179.14339	1.4
197.13283	0.9
203.17967	9.7
235.16948	1.5
253.16212	100.0
254.16519	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1801
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
53.03951	2.0
54.60441	1.2
55.01874	2.2
55.05512	12.2
56.40152	1.1
57.03429	2.3
57.07098	1.6
61.78405	1.3
62.99104	1.2
65.03960	1.6
67.05518	13.9
69.07076	7.9
78.30662	1.2
79.05502	30.8
81.03399	1.6
81.07062	100.0
83.04976	2.2
83.08602	7.6
91.05479	8.3
93.07050	16.5
95.04976	3.0
95.08607	22.3
97.06568	1.7
97.10162	4.0
98.98472	68.3
100.98899	1.5
105.07038	12.5
107.08612	23.9
109.00236	1.3
109.06525	61.1
109.10135	7.7
111.08086	3.0
116.99590	2.4
117.06966	2.0
119.08589	21.1
121.10159	14.2
123.08054	5.6
125.09645	5.4
131.08574	1.8
133.10127	12.9
135.08054	4.4
135.11702	5.1
137.09569	2.4
143.08569	2.1
145.10167	3.3
147.11688	6.9
157.10124	4.7
161.13277	2.8
174.99278	2.6
175.11121	1.5
175.14839	5.6
176.98819	2.2
189.12723	1.6
189.16345	5.1
193.12187	1.4
199.14841	6.8
203.17940	5.8
207.17435	4.4
217.15897	4.6
235.16925	47.3
253.16277	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	253.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19212	1.6
55.01866	6.3
55.05513	13.9
57.03415	2.0
57.07071	1.7
57.44618	1.6
67.05508	34.5
69.07079	18.8
69.55682	4.5
71.05000	19.8
71.35082	1.8
79.05502	32.6
81.03414	2.6
81.07060	43.3
83.04989	11.3
83.08620	9.7
85.02902	7.3
85.06523	3.7
91.05484	36.3
93.07048	40.5
95.04968	70.6
95.08606	28.8
95.52486	1.6
97.06536	38.1
98.98467	26.9
99.08081	2.4
100.31443	1.6
105.07027	32.8
107.04960	34.0
107.08586	20.3
109.06499	8.2
109.10178	10.1
111.04438	10.8
111.08069	4.6
113.09610	2.5
115.05456	1.8
117.07018	14.2
119.08581	26.9
121.06519	9.4
121.09066	1.5
121.10146	8.5
123.08083	8.7
129.06989	10.4
131.08548	5.7
133.06491	19.3
133.10126	14.7
135.08054	2.5
135.11681	8.7
137.09590	4.7
143.08551	13.2
145.10109	11.2
147.08054	2.3
147.11665	4.0
151.11201	2.7
157.10104	4.1
159.11646	9.0
161.09665	3.7
161.13269	19.6
163.11174	15.3
175.14827	10.4
177.12761	13.1
179.14314	53.8
185.13269	16.9
197.09698	1.6
203.14336	22.7
221.15372	100.0
222.15732	2.5
235.17032	2.2
253.14320	6.0
253.18279	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	254.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	7.4
61.02938	3.2
67.05351	1.6
71.01354	47.1
71.29109	2.5
75.04469	9.4
85.02895	2.4
86.09687	9.1
98.97597	2.7
98.98494	6.4
99.00797	1.8
101.00884	2.2
101.02380	4.6
103.03923	17.2
112.26446	2.1
113.02404	4.3
116.03481	2.9
117.01842	4.2
119.01962	4.3
127.00298	4.8
129.01871	5.4
131.03412	43.7
131.04344	3.5
133.04994	6.4
134.06027	4.5
141.01852	6.5
143.03403	3.1
145.01263	3.6
145.04988	12.5
157.04962	19.2
157.81068	2.1
159.02892	100.0
163.05986	4.3
166.02971	3.8
173.04474	4.4
176.05650	4.6
186.09785	5.1
186.99123	3.4
191.05531	15.7
195.11256	2.3
201.03973	2.4
214.09259	7.7
219.04990	84.0
230.98068	2.3
232.10329	11.0
237.06100	5.2
248.99124	3.0
249.01434	3.7
254.07431	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.0873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
56.96577	9.0
61.02943	7.4
62.56129	1.3
63.27555	1.3
70.66075	2.0
71.01350	8.0
75.04492	15.5
77.86553	1.4
87.04470	3.7
89.02386	2.6
95.08612	1.3
98.98472	27.5
103.03954	20.0
104.99267	1.5
131.03418	5.2
133.99020	1.3
140.98618	3.2
145.04903	1.6
145.19063	1.3
158.99681	2.7
159.02896	53.6
167.11819	1.3
186.99158	5.9
187.02420	3.8
188.92477	3.4
195.11313	3.5
205.00218	6.3
213.86612	1.3
219.05011	100.0
220.05357	2.0
230.93637	1.5
230.98184	4.5
248.99150	7.0
253.94682	2.1
254.04752	1.3
254.16029	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21824	1.3
57.65100	1.8
60.65634	1.4
61.02922	6.3
70.77235	3.0
71.01359	5.5
75.04488	15.1
87.04480	5.6
89.02409	3.5
95.15483	1.3
95.66187	1.6
98.98444	2.3
103.03939	21.1
108.82021	1.4
112.31803	1.4
126.13636	1.6
131.03401	7.0
159.02901	44.7
175.86230	1.6
187.02425	5.0
219.04999	100.0
220.05302	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	254.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35851	1.8
52.78569	2.0
56.96558	5.0
61.48533	1.9
69.08466	13.4
71.08628	4.6
83.06107	3.0
87.04482	3.6
95.06127	3.1
98.98473	48.3
100.98953	2.1
104.99260	3.9
110.07166	100.0
136.07593	5.0
151.21492	1.8
156.07695	46.8
170.56380	2.3
176.98936	2.1
180.72775	1.8
186.99144	3.7
196.13464	4.7
205.00140	3.1
208.14453	8.2
236.13834	2.6
248.99066	2.6
253.94652	3.3
254.10194	2.1
254.15027	20.5
254.17554	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	254.1612
Annotation	CI 4
Peak:m/z	Relative Intensity
51.26251	1.1
55.68150	1.0
56.96567	21.5
57.03415	1.0
57.50838	0.9
58.28420	1.0
62.09157	0.9
70.06590	14.0
70.47887	2.2
73.15739	0.9
83.97613	1.1
95.06124	1.1
97.07655	1.1
98.06053	12.3
98.97559	1.6
98.97773	1.5
98.98471	21.5
110.07188	1.9
112.07663	1.4
112.08708	1.3
116.98664	1.1
120.08126	5.0
121.08440	8.3
122.09715	1.1
122.97558	2.0
123.05529	3.6
125.07122	14.8
133.20541	1.1
140.98581	5.6
147.97076	1.0
156.97459	1.1
158.01297	0.9
158.99681	6.3
159.02943	1.9
159.84700	1.3
161.01250	2.3
166.02904	7.5
166.13480	1.2
167.11809	19.3
168.04443	3.8
168.98019	2.0
177.00833	2.1
179.00829	1.3
184.04024	1.8
186.05450	1.8
186.99139	15.1
188.92496	2.0
194.12883	9.0
195.11293	100.0
196.11554	1.2
205.00221	9.2
211.98517	1.2
212.03429	4.2
212.97089	1.3
213.08093	1.3
219.05031	1.6
230.04492	4.0
230.98067	7.1
236.05936	1.0
237.13417	4.3
247.14116	1.2
248.99205	12.9
249.01465	2.1
254.04408	2.4
254.16124	86.5
255.16470	1.2
263.08691	1.0
267.00156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01839	0.9
55.05262	1.4
55.05514	23.8
56.05032	4.4
57.03426	4.4
57.07080	8.9
58.06592	3.0
59.19698	1.0
63.99602	1.1
65.68404	1.0
67.05172	1.5
67.05510	22.0
69.07069	23.5
70.06597	12.2
70.95669	1.4
71.04990	3.1
71.08632	4.4
71.19428	1.0
72.04184	1.3
72.04523	13.2
73.05296	2.1
74.06082	2.3
79.05495	10.4
81.07062	31.2
82.06581	4.3
83.08618	14.3
84.08162	1.6
85.06546	7.1
85.10194	2.6
86.06075	6.1
91.05466	3.2
93.07052	14.7
93.65769	1.0
95.04937	1.6
95.08614	24.0
96.08119	6.7
97.06541	6.5
97.08927	1.0
97.10188	8.1
98.09713	2.9
100.07629	3.2
105.07047	1.0
107.08615	9.2
109.10169	7.2
110.09692	5.6
111.08109	5.9
111.11706	1.4
112.11252	3.2
119.09937	0.9
121.10154	7.3
123.11720	4.7
124.11240	1.5
125.09632	1.3
135.11684	7.9
137.13257	2.8
141.12749	1.3
142.15852	2.8
148.08685	1.1
149.13249	3.1
154.15941	1.1
155.14279	2.9
156.13875	1.0
163.14835	1.3
194.04506	1.2
196.42358	1.2
197.50146	1.1
210.22263	2.8
219.21056	5.8
236.21289	1.7
236.21878	1.1
236.23724	52.7
237.22121	5.2
254.24805	100.0
255.25087	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92089	1.9
55.01868	3.4
56.96563	4.7
57.03424	9.4
61.02932	4.3
61.31240	2.4
66.86407	2.5
69.03426	4.1
71.01350	4.9
71.05840	3.5
73.02923	7.3
78.77637	2.3
85.02921	6.2
91.03964	2.6
94.93023	7.5
96.92808	11.2
98.92660	3.7
98.98460	7.8
106.02917	4.7
112.89608	32.3
114.89316	3.7
115.03938	7.7
123.05560	70.8
124.03953	100.0
129.01852	3.8
133.04951	8.2
161.04433	2.7
171.02991	2.7
180.93001	3.7
181.96144	4.1
189.03955	8.6
195.11340	6.3
196.11560	7.0
203.05551	2.9
248.99025	3.0
254.16003	3.6
255.06308	22.5
255.16429	7.0
276.81369	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	255.0632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
57.03442	5.9
57.07103	1.7
70.28790	3.2
70.29128	1.7
73.02922	3.8
80.05015	2.3
82.01442	1.4
85.02911	3.8
91.32256	1.6
98.98472	34.9
100.02479	3.7
103.04021	1.6
106.02925	4.9
110.07181	12.3
112.89652	5.1
115.03963	2.9
118.03535	1.6
123.05561	100.0
124.03961	39.4
133.04971	5.3
143.01889	2.7
145.03448	2.0
156.07661	3.1
156.97511	4.8
168.05156	2.2
170.95918	2.3
174.98505	2.9
176.98973	1.9
180.17345	1.7
182.99028	2.6
184.04559	1.9
189.03909	2.1
191.89363	1.5
196.86858	2.0
201.00087	3.2
210.66884	1.6
212.04070	3.2
226.98035	1.9
230.98055	1.4
254.97195	2.0
255.06258	11.4
255.14624	2.7
256.03107	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	255.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39172	0.7
53.42694	0.6
56.96554	2.4
57.03431	1.0
58.99852	0.9
59.24430	0.8
62.56424	0.7
67.70544	0.8
69.07063	1.9
70.00861	1.5
70.01173	1.0
77.96575	0.7
82.99834	1.2
86.09711	44.4
87.10037	1.6
97.06541	5.1
98.97579	1.2
98.98457	9.1
100.02460	2.0
101.00887	13.0
106.02929	1.4
110.07169	1.2
112.02460	0.8
115.03894	0.9
118.03548	4.0
119.01928	32.0
123.05562	15.5
124.03944	1.9
126.04044	0.8
130.03455	1.2
131.01897	2.3
137.02969	7.5
138.66412	0.8
143.01949	0.9
144.05101	1.2
145.03491	0.8
145.30997	0.7
154.03548	1.0
155.05505	1.5
161.02922	1.3
168.08723	2.8
172.04561	1.2
173.02916	1.1
173.06549	1.1
186.09767	31.1
187.09879	0.8
189.03961	1.5
191.04018	1.0
196.08167	0.9
197.06577	2.9
204.10840	8.4
205.88962	0.7
212.04095	1.9
214.09250	44.2
215.07620	2.7
220.05284	0.9
225.65584	0.7
231.98488	1.0
232.10301	100.0
233.10483	2.5
244.08739	0.8
249.99492	0.9
252.09360	1.1
255.04085	1.2
255.06621	1.2
256.03146	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	255.1593
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03944	2.9
55.01859	2.7
55.05509	32.7
57.03186	4.1
57.03440	49.1
57.07063	8.5
58.06589	2.7
65.80715	2.4
67.05508	87.9
69.07073	25.6
69.24140	5.2
69.24540	8.3
70.06574	7.8
71.01337	6.3
71.04972	7.6
71.08611	2.9
72.43932	2.5
79.05499	72.9
81.03416	11.4
81.07056	41.2
83.04986	26.5
83.08601	8.7
85.06527	6.1
86.06055	7.1
88.07595	7.1
91.05023	2.9
91.05489	32.3
93.07052	86.2
95.04974	12.2
95.08593	12.8
97.06542	21.7
97.10150	17.4
98.98458	25.6
99.04463	3.6
99.08076	3.1
99.25264	2.4
100.07607	9.1
101.07972	3.2
102.09167	7.7
104.99271	5.4
105.04536	3.1
105.07009	6.7
107.04964	3.2
107.08596	47.8
109.06517	4.5
109.10133	9.9
111.08065	5.1
117.06976	9.2
119.08547	10.0
121.06421	3.3
121.10154	12.9
122.52383	2.2
125.09585	5.5
133.10075	4.5
135.08095	3.7
135.11699	100.0
137.09569	4.5
143.08572	2.7
144.38768	2.5
145.10114	21.5
148.41925	2.8
153.12772	2.6
153.67632	2.6
163.11165	17.1
181.12210	16.2
183.65694	2.3
254.24789	22.5
255.15857	83.9
255.25146	28.4
256.23920	3.9
256.26352	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1594
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03939	2.5
55.01877	54.2
55.05516	22.8
57.03440	33.3
57.07089	2.8
59.05009	6.5
63.84785	1.1
65.15775	1.2
67.05506	47.9
69.03386	1.1
69.07073	25.3
70.60783	1.3
70.99117	1.1
71.05004	9.6
72.16022	1.1
79.05498	54.3
81.03429	1.7
81.06578	1.1
81.07061	36.1
83.04985	71.1
83.08621	14.7
83.47372	1.0
84.82639	1.1
85.02909	3.2
85.06570	6.8
85.06979	1.1
87.48946	1.4
88.24158	1.2
91.05486	16.6
93.07050	82.0
95.04978	6.5
95.08613	27.1
97.06535	32.4
97.10148	1.5
98.98482	21.9
99.08088	2.0
100.98878	2.5
101.06093	1.4
105.04520	1.9
105.07025	5.2
107.04950	4.2
107.08598	50.4
109.06481	2.9
109.10171	13.9
111.08089	16.2
115.05415	1.1
117.07008	6.6
119.08574	11.4
121.06491	2.0
121.10143	15.8
125.06016	3.4
135.08087	2.0
135.11697	100.0
136.12111	1.3
137.09610	1.7
139.07550	3.1
143.08499	1.3
145.10139	14.9
153.12744	59.2
163.11183	23.6
181.12253	46.3
193.44852	1.3
199.13295	4.3
230.19135	1.1
237.14931	1.9
255.15923	78.1
272.14767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.6
55.01858	2.8
55.05514	22.0
57.03439	43.0
57.07054	2.7
58.90628	1.5
63.54609	1.3
65.03880	1.4
67.05505	62.2
69.07069	21.8
71.01353	6.6
71.04982	7.0
79.05495	51.5
81.03387	6.0
81.07062	30.2
83.04536	1.5
83.04973	16.8
83.08636	7.0
83.09041	1.5
85.06512	4.0
91.05484	26.3
93.07044	71.2
95.04960	8.0
95.08604	12.9
97.06536	17.1
97.10176	16.4
98.98473	25.4
99.04430	1.7
99.08053	2.7
100.98839	1.7
104.99232	2.5
105.04474	3.7
105.07039	6.7
107.08595	47.5
109.06453	2.2
109.10144	9.3
111.08044	2.3
117.06974	6.4
119.08579	7.4
121.06497	1.7
121.10148	8.9
125.09578	3.4
133.10092	3.7
135.11694	100.0
137.09564	1.8
143.08549	1.7
145.10121	15.6
153.12680	3.9
163.11180	13.0
171.11748	2.1
181.12228	22.3
199.13191	2.4
255.11311	3.2
255.15791	52.3
255.20914	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	255.1594
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
54.76626	0.5
55.05523	2.8
57.03444	10.5
67.05512	8.8
69.07074	4.4
69.80480	1.1
69.80847	0.9
71.04998	100.0
79.05496	8.1
81.07066	7.1
83.05000	1.1
83.08633	3.6
85.02912	55.1
85.06551	2.4
91.05490	3.2
93.07053	11.5
95.04964	2.6
95.08616	16.3
97.06532	3.8
97.10165	0.7
98.23473	0.6
98.98466	7.5
99.04469	2.6
99.08107	1.0
104.82967	0.4
105.07051	1.7
107.08608	6.5
109.10172	3.6
111.08094	1.5
111.63849	0.6
117.07040	1.2
119.08588	2.5
121.10160	5.2
123.08076	3.0
133.10115	0.9
135.11703	12.4
139.11182	4.6
145.10126	2.7
153.12755	21.1
162.83429	0.5
163.11238	3.1
181.12247	9.0
184.13319	0.6
188.21649	0.5
199.13304	1.5
213.09650	0.9
220.52574	0.5
231.11009	0.8
232.10938	0.7
233.06807	1.0
255.15901	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	256.0817
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
55.01874	2.9
57.03439	4.0
59.04996	0.5
61.02917	0.9
69.03428	2.3
70.35652	0.5
71.01351	1.1
73.02922	2.2
73.11517	0.2
78.03450	0.3
78.95649	0.6
80.05009	1.1
85.02904	2.8
87.04469	0.6
90.33763	0.2
96.04494	0.6
97.02881	1.3
100.02473	0.3
103.03955	0.4
114.05491	0.3
115.03954	2.1
118.03413	0.3
119.01934	0.5
123.05540	0.5
124.03955	100.0
125.04287	0.8
133.04964	4.5
136.94054	0.4
143.01913	0.3
148.94066	0.4
155.08177	0.7
168.05013	0.2
189.03935	0.4
212.04004	0.5
212.95412	1.0
224.02170	0.2
256.02988	1.0
256.08151	0.7
256.12811	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03157	0.1
53.73298	0.1
55.01870	2.9
56.05029	0.2
56.96568	0.1
57.03436	5.4
57.07068	0.1
58.99867	0.7
59.05005	0.9
61.02926	1.0
69.03430	2.5
69.07072	0.1
70.02945	0.1
70.05090	0.2
70.05477	0.3
71.01357	1.6
71.04990	0.3
73.02917	3.0
75.04489	0.2
77.00901	0.2
78.03453	0.4
79.04220	0.1
80.05023	1.2
82.01445	0.8
82.06557	0.1
83.01328	0.2
83.06106	0.4
85.02904	3.4
86.06078	0.2
86.09706	0.2
87.04462	1.3
89.02375	0.5
95.01334	0.1
96.04514	0.6
97.02891	0.9
97.07651	0.3
98.97563	0.3
99.02943	0.2
99.09207	0.2
100.02482	2.0
101.00871	0.7
101.02379	1.4
103.02464	0.2
103.03947	0.7
103.98895	0.1
104.04354	0.1
109.87921	0.1
111.00800	0.3
113.02389	0.1
114.05521	0.8
115.03115	0.2
115.03929	3.6
117.04015	0.6
118.03521	1.7
119.01925	1.8
119.03453	0.2
123.05553	0.4
124.03950	100.0
125.00863	0.2
125.04287	0.8
127.02392	0.2
127.03957	0.1
127.05035	0.5
127.08661	0.2
129.01833	2.1
129.02708	0.2
133.04962	4.9
135.05028	0.3
136.04559	0.9
137.02975	0.4
140.05566	0.2
143.01915	1.0
143.03381	1.2
145.03459	1.8
153.00200	0.1
155.08147	2.2
157.01320	1.5
158.06580	0.2
161.02960	0.5
161.04453	1.8
163.04535	0.8
166.03490	0.9
168.05043	1.0
171.01369	0.7
171.02885	0.5
184.04550	1.0
185.02951	0.2
186.06113	0.4
189.02422	0.8
189.03925	4.7
194.03038	0.9
194.04800	0.1
202.05588	0.3
203.03802	0.1
203.05496	1.8
207.03441	0.2
210.02542	0.3
212.04036	2.0
212.05893	0.2
213.02454	0.3
215.00327	0.3
221.06526	0.4
230.05107	0.8
231.03522	0.2
238.01938	0.9
239.00378	0.1
256.03012	3.4
256.08337	0.6
256.12994	1.0
256.26422	0.1
257.01306	0.3
274.04114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66764	0.1
54.71806	0.1
67.05516	0.1
70.06583	0.2
71.35547	0.1
76.56891	0.1
79.05492	0.4
81.07046	0.3
81.92113	0.1
89.03920	0.2
91.05470	0.5
98.23580	0.2
98.98466	0.2
106.06558	1.6
107.04963	0.9
108.04472	0.1
109.06509	0.3
116.04987	2.7
117.03358	0.3
119.04949	1.0
120.04455	0.5
124.03936	0.2
131.70921	0.1
133.05238	0.2
133.08598	0.1
134.06023	4.3
134.07047	0.2
135.04414	4.0
135.37434	0.1
136.03908	0.3
136.90773	0.1
137.04201	0.1
137.05969	1.0
144.04456	0.7
146.05991	0.5
149.24672	0.1
153.07011	0.1
162.05507	8.4
163.05978	0.1
164.03432	0.1
165.07050	0.3
168.08075	0.1
175.78755	0.1
177.00613	0.2
183.08015	0.1
196.06062	0.3
208.07593	0.1
210.09171	0.2
211.07555	0.1
214.08798	0.1
220.17035	0.2
224.05519	0.3
228.10152	0.3
229.08615	0.3
238.08595	0.4
239.07042	0.5
239.09320	0.2
241.07353	2.7
242.07547	0.1
256.09683	100.0
257.04517	0.2
257.10092	2.5
257.12857	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0971
Annotation	Ketorolac
Peak:m/z	Relative Intensity
54.91671	0.1
55.42255	0.2
62.79518	0.2
70.71239	0.3
78.74318	0.2
79.05478	0.5
89.03925	0.4
91.05436	0.4
98.97580	0.8
105.04508	0.2
106.06551	1.7
107.04955	0.7
109.06498	0.5
116.04980	2.5
117.03404	0.4
119.04924	0.9
120.04494	0.5
134.06017	3.8
135.04419	3.3
137.05995	0.7
144.04419	0.6
145.43573	0.2
146.06004	0.6
162.05505	7.7
162.06857	0.4
163.05945	0.2
165.07016	0.2
196.06049	0.3
229.08621	0.4
239.07082	0.3
241.07326	2.6
246.83374	0.2
256.09683	100.0
257.10089	2.2
257.12869	0.4
274.97476	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50204	0.4
55.01875	4.9
56.96545	0.5
57.03181	0.8
57.03441	9.2
58.99874	0.8
59.05004	2.6
61.02926	1.4
62.56237	0.4
69.03428	2.7
69.96654	1.3
71.01352	2.9
71.04997	1.6
73.02918	4.9
75.04487	0.6
80.05010	1.4
82.01446	1.0
83.01329	0.8
85.02905	4.2
85.62029	0.3
87.00809	0.4
87.04468	4.0
87.33143	0.4
89.02377	1.6
89.82462	0.4
90.02731	0.5
92.11804	0.4
94.93013	0.4
95.01312	0.4
96.04502	0.6
97.02874	1.1
100.02487	2.1
101.00880	0.7
101.02377	7.4
103.03928	1.1
109.07632	0.5
111.00810	0.6
112.07088	0.4
112.89602	0.6
113.02391	0.7
114.68887	0.4
115.03928	10.6
118.03511	3.2
119.01928	2.2
119.03442	0.6
123.05578	0.8
124.03954	100.0
124.08708	2.8
125.04306	1.4
127.02464	0.4
129.00941	0.8
129.01846	10.5
131.03430	0.5
133.04967	5.9
136.04555	0.7
136.94104	0.4
137.02954	0.7
139.03885	0.4
143.01917	1.6
143.03404	5.5
145.03447	1.9
148.94040	0.7
155.08159	0.4
157.01328	7.5
159.02931	0.7
161.03081	0.6
161.04442	8.5
163.04590	1.0
166.03513	1.1
166.09785	0.8
167.82515	0.4
168.05072	1.4
170.09126	0.5
170.41341	0.4
171.01381	1.2
171.02902	2.8
184.04543	1.1
189.02434	1.2
189.03932	24.0
194.02989	2.1
203.03755	0.6
203.05513	8.1
207.05037	0.5
212.04065	3.0
212.05811	0.6
212.10455	0.6
213.02448	0.5
220.38312	0.5
221.06583	2.3
224.07602	0.7
230.05205	1.4
231.03610	0.6
238.02031	1.1
256.03009	4.1
256.08453	0.5
274.04022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
53.91806	0.4
55.05257	0.7
55.05513	11.9
55.31364	0.4
56.96560	0.9
69.30970	2.0
70.06594	0.8
71.04990	0.7
73.06558	4.0
98.97584	5.0
116.98640	3.5
120.08932	0.4
134.99669	1.8
140.04849	0.5
150.96997	0.4
167.06042	4.2
175.09792	2.6
176.86978	0.4
183.07909	0.4
184.08705	81.8
185.07111	4.5
185.09000	1.5
209.05922	3.1
232.96332	0.8
238.14369	0.9
239.15025	0.5
256.14447	100.0
256.26370	1.0
256.96497	0.6
257.14798	1.8
274.97537	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	256.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.2
53.52524	1.2
55.01868	6.6
55.05509	10.6
56.05023	5.3
56.96571	1.6
57.07071	2.1
58.02951	1.7
58.40818	1.5
60.04525	41.6
65.03922	1.5
67.05504	46.4
68.05005	1.3
69.07059	9.0
70.00031	3.5
70.06593	7.2
71.04989	13.3
72.04516	9.0
77.03918	2.0
78.97962	1.3
79.05039	2.6
79.05489	43.0
80.05003	3.8
81.07056	47.0
82.06581	4.7
83.04965	6.3
83.08599	2.9
84.04498	2.3
84.08134	3.3
85.06541	5.2
86.06052	5.3
91.05479	39.6
93.07040	34.3
94.06556	3.4
95.04982	8.4
95.08600	21.2
96.08123	5.5
96.80882	1.2
97.06516	8.0
98.06055	2.5
98.16692	1.3
98.97587	11.8
103.05408	1.5
105.07024	24.0
106.06548	3.0
107.08593	19.5
108.08119	3.8
109.06510	5.9
109.10150	3.2
110.06014	1.5
110.09695	4.0
111.06872	1.4
111.08059	2.3
112.07612	4.5
113.05991	1.5
115.05454	1.8
116.07119	1.9
116.98624	6.8
117.07036	9.9
119.08573	16.2
120.08079	3.2
121.06445	1.6
121.10153	7.1
122.09653	5.9
122.10435	1.3
123.08088	3.9
126.09121	2.8
128.06221	2.4
129.06946	6.3
131.08585	18.1
133.10115	11.6
134.09660	4.9
134.99570	1.7
135.08084	3.1
135.10498	2.8
135.11687	7.3
136.11221	1.8
137.09642	1.9
142.20982	1.7
143.08548	6.3
143.30135	1.5
145.10086	4.1
146.09648	1.6
147.11664	6.0
148.11176	2.9
149.13315	1.7
152.10707	1.9
154.12216	1.5
157.10188	2.7
159.11690	5.8
161.09663	2.8
161.13206	3.1
163.11131	1.4
172.94365	1.7
173.13268	5.2
180.17426	1.6
185.13197	6.3
190.15970	7.1
191.14311	1.8
192.17447	1.9
202.15860	3.0
203.14302	4.3
206.78709	1.3
208.16873	9.3
220.16962	27.3
226.18076	13.6
238.18011	42.0
256.09705	9.5
256.19073	100.0
256.26279	2.6
274.97461	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	256.2637
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
53.03954	0.4
55.05264	0.4
55.05515	8.5
56.05024	1.4
57.03441	3.3
57.07079	5.4
58.06601	2.3
60.04507	0.5
60.08158	1.3
67.05505	6.5
67.63576	0.4
69.06713	0.5
69.07072	8.7
70.06598	7.8
70.96613	0.5
71.04996	2.4
71.08634	1.9
72.08193	0.4
74.06040	0.5
79.05480	0.9
80.32782	0.4
81.07056	9.8
82.06616	0.5
82.55280	0.4
83.08623	6.6
83.57803	0.4
84.08153	1.9
85.06563	0.8
85.10174	1.0
88.07629	0.5
94.98724	0.4
95.08607	10.3
97.10197	2.7
98.09692	0.7
102.09180	1.0
109.10170	4.8
116.82610	0.5
123.11713	1.7
130.06030	0.4
149.03069	0.4
238.25310	14.4
256.26361	100.0
256.29800	3.6
257.26694	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	256.2635
Annotation	Palmitic amide
Peak:m/z	Relative Intensity
55.05512	8.6
56.05015	1.2
57.03444	3.0
57.07072	4.2
58.06607	2.5
60.04519	0.5
63.68949	0.4
67.05504	6.6
69.06711	0.5
69.07066	8.1
69.28638	1.3
69.29022	0.7
69.78555	0.5
70.06592	6.1
71.04986	3.2
71.08622	1.6
74.06074	0.7
79.05468	0.5
81.07056	9.7
83.08624	5.5
84.08128	1.6
85.06543	0.6
85.10179	0.6
93.66985	0.4
95.08612	8.7
97.10175	3.4
98.09677	1.0
102.09153	0.7
107.54685	0.5
109.10159	5.2
111.11705	0.5
123.11697	0.6
145.40955	0.4
150.59229	0.4
177.76859	0.5
198.22255	0.5
203.87137	0.4
238.25293	15.1
256.26346	100.0
257.26642	2.0
278.55850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.9827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68815	1.5
57.03437	3.8
64.21600	1.6
69.74641	1.7
69.74984	5.4
94.93022	43.1
94.93593	3.3
96.13311	1.5
101.00882	13.3
112.89630	2.0
114.89365	4.7
115.03959	2.3
119.01933	23.5
124.03957	28.3
125.04303	13.0
136.94031	100.0
137.02940	4.0
145.05142	1.9
148.94038	92.5
166.95102	48.1
178.95111	1.6
185.03004	5.2
189.03957	5.1
190.04286	2.6
213.02454	6.9
231.03574	3.6
257.01486	5.0
275.02557	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05493	0.6
56.96571	3.2
65.03929	5.2
66.83436	0.5
67.05497	2.1
69.48713	2.0
69.49094	1.2
72.74574	0.5
79.05518	0.7
79.48064	0.4
80.05013	0.6
81.07044	0.7
82.02910	0.9
87.61032	0.5
91.05474	1.1
91.87592	0.5
92.04996	5.3
93.05820	0.7
93.07041	0.6
94.06587	2.8
95.04958	1.4
98.97578	18.0
105.07021	1.3
106.06528	0.9
108.08098	0.8
110.28596	0.5
116.98621	12.3
117.07013	1.0
117.72559	0.5
118.06619	0.6
119.08656	0.5
120.04484	3.0
122.06060	2.8
124.07584	0.9
128.06235	0.5
129.07001	0.9
130.06528	1.2
131.07260	1.0
132.08046	1.4
134.99661	5.7
135.06863	0.5
136.07567	0.8
140.00206	1.3
141.07022	0.8
142.07805	0.9
143.07332	1.0
143.08513	0.8
144.08081	2.0
145.07687	0.6
145.08852	0.8
146.06006	0.8
154.06500	2.4
154.32426	0.5
155.06007	0.7
155.07236	0.7
156.08115	2.8
157.10139	1.2
158.01202	0.9
158.06021	1.4
158.08415	0.6
158.09665	0.8
159.09137	1.3
159.10370	0.6
160.07587	2.3
168.06793	0.9
168.08040	2.9
169.08850	4.8
169.10101	0.8
170.06091	0.9
170.08406	0.8
170.09673	1.2
171.09149	1.8
171.10452	1.4
172.07578	2.1
172.09952	2.7
173.08461	0.9
174.09154	0.8
182.06079	1.3
182.08337	1.0
183.06773	2.2
183.09146	2.3
184.07645	3.5
184.11208	7.3
185.07126	2.4
185.10687	4.9
186.11482	7.9
186.12787	0.5
187.08650	2.4
189.10231	0.8
193.63794	0.5
194.09563	1.1
196.07559	1.8
196.09996	1.1
197.08379	7.6
198.07750	0.7
198.09332	0.9
199.08585	7.0
200.09418	18.6
200.13243	0.6
201.10228	3.8
201.13873	11.5
210.48991	0.5
211.08691	3.1
211.12291	1.7
212.08952	1.0
212.10750	12.6
213.06619	10.6
213.10153	10.2
214.07335	1.9
214.10841	10.0
215.08080	0.5
224.09422	2.4
225.47939	0.6
226.07362	1.0
227.08171	9.9
228.08875	28.7
229.09775	24.1
229.13330	42.9
230.11742	0.8
230.13750	0.8
232.96521	0.8
239.11768	4.5
240.10278	5.5
240.12489	0.8
241.07652	0.5
241.09698	21.9
242.10500	38.9
250.97600	0.6
255.11145	0.8
256.96490	1.6
257.12851	100.0
258.13202	2.1
274.97528	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	257.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	10.7
61.59219	1.4
67.05495	2.2
69.07076	1.2
69.25481	5.6
70.06596	2.2
75.94949	1.0
80.99778	1.2
98.06075	1.2
98.22743	1.6
98.97590	70.0
116.98628	45.1
134.99658	21.4
153.00748	1.6
158.01279	1.5
172.94363	2.8
190.95413	2.8
196.83401	1.2
232.96480	3.0
250.97659	2.8
256.96506	4.7
257.13617	100.0
257.26877	1.2
274.56018	1.1
274.97519	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45624	6.3
64.80276	7.6
67.16358	6.4
70.06567	8.9
70.66399	6.2
73.57275	6.4
86.09707	8.5
90.86796	6.9
94.93031	16.0
96.92857	10.4
97.02888	8.0
104.10745	46.3
124.03929	10.6
124.99997	8.4
126.06629	38.4
128.38045	6.2
136.94003	20.6
137.94284	8.0
138.93803	20.0
148.94019	15.2
149.94385	15.5
150.93777	15.5
166.95178	10.7
167.95459	8.2
168.94832	10.7
232.43454	7.7
236.16072	7.3
250.22702	7.0
258.07385	100.0
258.11099	12.7
258.13593	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	258.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01649	0.8
55.01869	5.5
55.05511	1.1
65.80145	0.8
67.05506	2.9
68.05029	4.3
69.07060	1.7
69.92239	2.2
70.06591	2.3
71.04990	3.6
73.61040	0.9
76.46885	0.9
79.05484	2.4
80.05012	2.5
80.96807	0.9
81.07051	2.3
82.06604	1.2
91.05408	1.4
94.06594	2.3
95.07365	1.2
95.08596	1.1
95.56302	0.9
96.08133	1.0
98.97612	3.4
99.97955	1.5
106.06549	5.1
108.08107	11.1
109.10172	1.1
114.39822	0.9
116.98653	1.6
118.06561	3.3
120.08137	3.0
121.08881	1.5
122.06023	12.6
134.09674	2.5
134.99670	1.0
136.07574	17.6
138.85995	1.0
148.07599	0.9
148.11243	1.7
150.12811	2.5
158.03630	1.2
163.13528	1.4
171.04449	14.6
172.05235	1.3
176.14339	14.0
189.22212	1.3
199.16922	5.2
204.13802	3.2
212.11966	5.2
215.84869	1.0
234.87317	1.1
240.11484	100.0
241.11865	1.8
258.12634	5.2
258.22101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01866	3.4
55.05513	19.0
56.05033	7.0
56.05859	1.4
57.03411	1.8
57.07049	1.6
59.73430	1.2
60.04528	44.7
65.03934	1.7
67.05158	2.7
67.05506	35.9
68.05004	1.4
69.03425	2.5
69.07066	12.2
69.23111	4.5
70.02972	1.9
70.06593	5.7
71.04999	9.8
72.04519	13.4
74.02486	1.3
77.03887	1.3
79.05494	22.2
80.05031	1.9
81.07053	40.3
82.06582	5.1
83.04967	4.1
83.08614	10.0
84.04506	2.6
84.08152	2.1
85.06530	4.1
86.06062	3.7
86.09696	3.8
88.03999	2.9
91.05477	16.1
93.07047	24.3
94.06573	3.8
95.04966	4.7
95.07346	2.3
95.08608	42.8
95.09221	2.5
96.08138	5.6
97.06532	10.8
97.10174	10.1
98.06039	2.5
98.09712	1.4
98.97595	5.1
99.08047	2.4
100.07602	1.2
104.10744	2.6
105.07040	8.5
106.06589	1.3
106.88425	1.2
107.04932	2.5
107.08588	12.7
108.08139	2.5
108.08849	1.2
109.06503	2.9
109.10144	8.8
110.06012	1.2
110.09666	3.4
111.08075	8.1
112.07632	2.4
114.09227	1.3
116.03397	1.4
116.07061	2.2
116.98607	2.9
117.07005	2.8
119.07829	1.7
119.08585	13.0
120.08109	1.4
121.10146	9.6
122.09647	3.2
123.08036	2.2
123.11637	1.6
125.09631	1.8
126.09185	1.7
131.08548	7.5
133.10095	6.1
134.04524	7.4
134.09674	1.6
134.99689	1.7
135.11684	5.1
145.10101	8.5
149.13281	1.5
161.13242	6.2
163.14804	3.3
175.14923	1.4
179.14334	1.6
187.14839	3.1
192.17459	1.4
193.15973	1.9
198.18546	1.3
205.15927	2.4
210.18544	11.3
211.16855	1.4
212.20096	1.8
214.50783	1.3
222.18518	20.8
223.16940	2.9
228.19598	13.3
240.19582	41.9
258.13376	6.4
258.20642	100.0
258.99741	1.5
259.20975	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	258.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.9
57.07078	7.6
58.06602	4.3
58.47360	0.5
59.04981	0.7
62.06089	1.0
65.67499	0.5
67.67323	0.4
69.07072	11.7
69.76324	0.5
71.08632	3.6
75.55037	0.5
83.08624	8.2
85.10152	1.4
97.10171	6.5
108.45402	0.4
111.11692	1.6
155.43190	0.5
240.26862	100.0
241.25105	0.7
241.27306	3.6
258.27930	45.2
259.28226	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69625	8.5
55.94481	7.6
56.96550	9.9
60.69204	8.4
67.30637	7.5
69.03423	28.9
69.07054	26.7
69.51559	20.1
69.51950	13.9
70.06593	23.1
72.01804	8.1
76.50495	8.1
84.08176	8.7
85.02912	11.2
86.09686	22.8
97.02895	40.8
98.97584	100.0
99.18480	8.0
100.11252	10.9
116.98627	62.7
134.99660	36.4
168.13889	11.9
214.14397	33.1
233.56201	8.6
258.99753	45.4
259.11603	10.3
259.16785	9.7
259.20700	9.3
277.00809	44.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	10.8
63.05697	0.3
69.03439	0.4
69.45873	1.6
70.06600	1.9
71.95270	0.6
72.08117	0.4
84.08141	2.8
86.09700	0.7
97.02899	2.9
97.07640	0.5
98.22772	0.7
98.97587	100.0
101.00883	0.9
103.00613	1.1
105.07058	0.4
107.04990	0.4
109.94553	0.4
111.04418	0.4
116.98626	64.3
118.80770	0.3
119.01941	3.3
120.02026	0.6
121.00889	0.7
121.01678	4.7
121.06529	2.3
129.10252	0.7
131.01913	1.0
133.03494	0.7
134.99667	25.6
137.02982	0.8
139.00000	0.7
139.02708	1.5
140.00198	1.1
145.01683	0.4
153.00696	2.5
158.01257	0.7
165.09097	1.9
174.97548	0.5
175.00899	1.4
176.04176	2.4
177.00905	0.7
181.97356	0.7
187.02769	0.5
191.11693	0.4
194.05261	5.1
199.02173	3.8
199.07349	1.9
212.06369	0.5
215.02332	0.6
216.98776	1.0
217.01938	1.1
217.08646	1.6
218.05203	5.5
219.02014	0.9
233.03392	0.9
234.99799	1.1
236.06258	3.6
236.98663	1.8
240.98602	4.3
241.03313	1.3
241.09665	1.3
254.07378	2.3
258.99786	57.4
259.04163	25.8
259.10538	0.8
259.13315	1.4
259.99942	3.1
261.03073	0.7
277.00818	57.3
278.01099	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25498	1.1
55.47247	1.2
56.96562	4.0
69.76465	1.7
69.76783	3.4
76.76778	1.4
85.02908	1.1
97.02893	4.0
98.97584	27.2
114.09166	3.6
115.09512	1.5
116.98615	20.0
121.06551	3.1
134.99681	8.6
163.97665	2.7
165.09143	2.9
186.99260	1.9
222.30159	1.7
259.00128	17.3
259.04260	100.0
259.13260	2.0
260.04532	1.8
276.97946	2.7
277.00821	16.8
279.86823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0428
Annotation	Unknow
Peak:m/z	Relative Intensity
62.35237	1.1
70.85396	1.8
85.46120	0.8
98.97593	3.9
104.80069	1.0
116.98628	2.3
137.75407	1.0
259.04263	100.0
267.88052	1.0
277.00797	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.05511	22.5
55.90641	2.3
56.96581	3.9
57.03440	41.0
57.07064	7.9
63.69088	2.1
64.51078	2.0
67.05510	27.9
69.03422	3.6
69.07068	21.5
71.04633	4.1
71.04998	52.9
79.05495	59.0
80.05842	2.3
81.03415	3.3
81.07059	47.9
82.92118	2.2
83.04974	10.4
83.08621	10.7
85.02914	6.8
90.11479	2.3
91.05482	18.4
93.07048	80.7
95.04980	5.1
95.08602	27.6
97.06529	14.6
97.10168	8.3
98.97576	16.1
101.06011	3.2
102.45201	2.3
105.07019	13.5
107.08596	28.0
109.06524	5.8
109.10140	7.5
116.98616	7.0
121.10152	54.6
123.08074	4.2
123.11751	2.9
125.09629	24.9
131.08583	13.3
134.99687	4.9
139.11185	78.7
149.09628	33.0
167.10686	12.0
172.94334	4.5
174.95567	2.2
185.11728	20.8
185.36032	2.3
190.95384	4.5
213.96834	2.8
241.14459	2.8
258.99805	6.3
259.15424	100.0
260.16080	2.7
277.00946	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	259.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01868	6.8
55.05511	73.1
56.96558	1.8
57.03438	21.9
59.04994	2.3
67.05161	1.5
67.05504	25.1
69.03436	9.2
69.07066	10.3
69.90229	3.1
73.06551	0.9
79.05042	1.4
79.05492	23.3
81.06567	1.0
81.07053	17.9
83.04984	5.2
83.08618	35.5
87.04469	5.1
91.05482	3.7
93.07052	11.3
95.08562	1.4
97.02907	1.1
97.10170	93.6
97.42142	1.0
98.22791	1.0
98.97583	3.5
105.07024	1.8
107.08595	35.7
109.06494	1.0
109.10149	4.3
111.08092	3.7
115.05462	2.4
115.11175	0.9
116.98609	2.4
117.07014	3.2
125.09631	100.0
135.08057	15.7
143.04913	1.7
143.10664	3.3
152.06161	1.0
153.09094	15.2
157.12248	5.6
171.10170	8.4
172.94304	2.8
182.42596	1.0
185.11729	1.1
189.11218	51.1
190.95300	1.4
195.95946	1.1
200.20134	1.5
203.12782	48.4
204.13142	1.3
224.20103	2.6
224.82536	0.9
250.56358	1.0
259.15417	61.9
260.16159	3.2
260.22189	7.7
277.00800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61992	6.1
53.14798	6.6
54.02399	7.3
55.05499	18.6
57.07061	8.0
58.51729	5.7
67.05520	15.6
69.07067	56.7
69.70128	25.3
71.04987	38.0
75.35932	5.9
79.05475	13.5
81.07045	31.8
83.04973	7.3
83.08604	12.2
84.64764	6.5
85.06535	24.8
91.05479	17.2
93.07060	24.8
95.08614	31.4
105.07040	52.8
107.08594	54.8
109.06521	16.5
109.10149	20.6
111.08086	24.2
117.06960	10.2
119.08587	98.4
121.10147	23.5
123.11720	27.5
129.01843	14.7
129.06989	8.3
131.08580	23.9
133.10141	53.6
135.08064	25.5
135.11703	13.9
135.34413	6.7
137.09637	6.4
143.08612	9.6
145.10129	50.7
147.11696	42.7
157.10097	19.0
159.11676	51.3
161.13257	74.7
171.11707	29.3
173.13237	18.6
175.11243	9.3
175.14815	100.0
176.15593	9.5
177.16467	7.5
185.13258	24.4
189.12718	9.8
189.16451	8.8
201.16438	27.4
203.14272	10.5
210.45486	6.3
241.19574	10.5
259.20557	60.2
263.19177	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	259.2059
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
52.29249	1.4
53.03930	2.4
54.18993	1.5
55.01878	3.5
55.05517	23.2
56.42244	1.4
57.03425	2.1
57.07069	6.0
58.67558	1.4
63.12451	1.4
67.05509	22.4
69.03419	3.1
69.07069	63.5
69.42860	7.3
71.04996	50.2
77.03922	2.2
79.05499	18.2
81.07056	36.7
83.04971	8.3
83.08612	12.9
84.22100	1.4
85.06554	25.9
91.05481	28.7
93.07047	34.7
95.04971	9.3
95.08607	37.3
97.05988	1.6
97.06519	9.0
103.05454	1.8
105.07036	58.0
107.08592	41.7
109.06519	16.6
109.10151	21.0
111.08089	33.2
115.05482	2.2
117.07030	15.9
119.08584	100.0
120.09421	3.7
121.06470	1.7
121.10158	21.8
123.08092	3.3
123.11717	31.2
128.06190	1.9
129.01837	1.9
129.06989	7.7
130.07776	6.5
131.08578	30.5
132.09348	2.4
133.10132	76.8
135.08044	16.0
135.11690	8.3
137.09656	4.5
141.06927	2.6
142.07780	5.3
143.08554	17.2
144.09418	7.4
145.10126	59.8
146.10837	2.4
147.08087	2.2
147.11690	37.4
149.09628	3.9
151.11247	1.5
155.08585	2.1
156.09346	10.0
157.10124	20.8
158.10988	2.5
159.10370	2.2
159.11691	42.3
159.12946	3.0
160.12466	6.8
161.09610	4.8
161.13258	74.7
163.11185	2.8
170.10922	5.9
171.11655	18.8
173.13297	13.5
175.11198	5.5
175.14827	89.8
176.15540	5.5
177.12775	3.2
177.16360	2.5
183.11661	1.6
185.13278	14.4
186.13918	1.8
189.12720	4.4
189.16382	5.2
190.13547	5.2
191.14258	1.7
199.14809	4.6
201.16386	24.0
203.14330	8.0
211.14786	1.9
215.17917	4.4
217.19479	2.5
229.15898	2.7
241.19539	15.1
259.20596	56.3
260.20865	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69058	0.7
55.05504	1.8
56.05024	2.3
56.96566	1.6
57.07080	5.6
60.04512	2.4
63.58545	0.9
67.05513	5.3
69.39897	3.7
71.08622	1.1
74.06082	1.0
74.17065	0.7
81.07048	1.9
84.04505	66.3
84.08147	0.9
84.16214	0.7
85.02895	1.5
85.10181	17.0
86.09695	2.3
87.10052	1.4
90.61040	0.9
91.05484	1.4
91.38718	0.8
93.07069	2.4
95.08608	46.4
96.13533	1.0
98.23468	1.8
98.97577	1.9
102.05540	30.9
109.09269	0.8
113.09641	16.7
116.98682	0.9
130.05003	65.1
145.02802	1.6
148.06044	100.0
149.06232	1.0
156.05386	0.9
169.53726	0.8
172.94318	2.5
177.05417	1.4
195.95865	0.9
213.96971	0.8
236.98651	2.4
242.13889	1.6
242.20969	1.1
260.14828	4.4
260.22284	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	260.1648
Annotation	Alolycopine
Peak:m/z	Relative Intensity
51.02375	3.8
53.03956	2.9
55.05507	13.5
56.05035	20.7
57.03436	31.7
60.04514	4.3
63.02367	3.6
67.01845	3.9
67.05490	6.8
69.07059	4.9
69.49690	6.0
69.50072	6.1
70.06584	22.3
72.08131	9.0
74.05698	4.5
74.06078	61.0
75.02341	3.6
77.03923	5.4
79.05488	18.6
80.04994	3.4
81.07042	7.6
82.06579	38.5
82.12360	2.3
83.04963	7.2
83.07345	4.9
84.55906	2.7
89.03907	8.1
90.03454	3.0
91.01842	65.5
91.05475	27.2
93.07023	6.3
94.06579	4.6
95.04936	6.6
95.08585	4.7
96.08099	5.5
100.07617	33.9
100.11213	3.1
101.03880	9.6
101.05998	7.2
103.05446	10.3
105.04457	3.1
105.07003	7.0
108.08126	3.5
109.06496	2.6
115.05456	33.1
117.06977	10.2
117.79453	2.8
119.08559	6.0
121.91813	2.6
127.05417	5.7
128.05322	4.9
128.06229	66.3
129.06984	17.8
131.08504	5.4
132.08060	3.0
133.06364	2.7
136.11195	5.5
141.05962	3.6
141.06978	25.1
142.06538	3.3
142.07715	5.8
143.04907	11.6
143.07336	4.6
143.08504	11.4
144.05231	14.3
144.08083	3.8
145.06480	6.7
152.06207	71.9
153.07001	24.4
154.06544	4.3
154.07732	6.8
155.06030	8.4
155.07289	5.7
155.08537	8.6
156.08011	4.2
165.07002	59.6
166.07718	8.9
167.07320	4.5
167.08545	21.2
168.08046	11.5
169.06471	8.3
169.08818	3.7
169.10139	3.3
170.09631	12.5
171.08009	7.1
172.94212	4.4
178.07727	5.3
180.08047	7.1
181.06546	3.2
181.08858	4.7
182.09608	6.8
190.07701	4.7
191.08554	27.2
192.09320	9.4
193.08896	3.8
194.09621	10.4
195.07982	3.3
208.11157	9.8
209.11783	4.4
222.12740	5.9
224.14281	31.6
224.20145	3.6
224.23515	4.1
242.12883	4.6
242.15405	95.0
242.21094	6.2
242.24883	2.6
243.15668	2.7
260.16403	100.0
260.22192	13.4
260.25534	3.8
261.16617	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	260.1647
Annotation	Isoelaeocarpiline
Peak:m/z	Relative Intensity
50.97442	1.7
51.02377	2.7
55.01871	2.3
55.05507	3.6
56.05024	5.4
56.96554	6.0
58.06593	2.9
60.04528	100.0
65.03922	5.7
67.05495	10.9
68.05033	2.6
69.07072	3.5
70.06593	3.3
77.03917	3.4
79.05499	12.9
81.07059	8.0
82.06573	3.8
84.08130	2.5
86.06026	3.1
91.01832	8.4
91.05488	22.5
93.07052	5.6
94.06586	3.4
95.04955	8.8
95.06049	2.1
95.08615	5.1
98.97581	3.0
100.07623	5.0
101.03886	6.2
103.05458	5.9
105.04527	3.2
105.07011	7.6
106.06522	2.5
107.08578	3.4
115.05463	23.4
116.06244	2.7
116.98660	2.8
117.07006	7.4
118.06548	6.8
119.08542	2.5
127.05412	4.3
128.06223	35.2
129.07022	15.9
131.08571	3.7
141.06998	23.2
142.06540	4.8
142.07713	3.3
143.04922	5.4
143.07387	2.2
143.08554	5.7
144.08119	3.0
145.06483	2.7
152.06219	15.9
153.06999	31.7
154.06596	2.3
154.07759	9.5
154.93233	3.4
155.06029	6.5
155.07365	2.2
155.08531	11.7
155.20190	2.4
156.08133	6.0
160.11235	2.6
165.06993	31.8
166.07800	5.1
167.07326	2.9
167.08583	6.1
168.08090	2.8
169.10143	3.5
172.94283	8.0
178.07736	10.1
179.08533	5.6
180.08031	3.4
181.08810	4.2
181.10228	2.9
184.11253	2.0
186.18553	7.6
190.95387	9.2
191.08597	12.2
192.09357	3.5
194.09589	2.4
194.19075	2.1
195.95895	6.3
196.11105	3.2
208.11232	4.5
213.96889	8.4
224.14378	3.2
224.20137	2.8
236.93536	3.3
236.98611	4.2
242.15404	31.9
242.21181	4.5
260.16476	81.2
260.22250	21.7
278.97046	2.7
279.41339	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	260.1648
Annotation	Isoelaeocarpiline
Peak:m/z	Relative Intensity
52.79847	1.5
55.01862	1.7
55.05516	2.9
56.05031	2.2
56.96558	4.7
57.03431	4.7
58.06601	18.1
59.04980	2.1
63.02367	2.6
67.01858	4.9
67.05494	3.4
68.05006	1.8
69.07058	1.7
69.95309	3.1
69.95638	2.8
70.06583	4.0
72.96980	1.5
74.06094	8.5
75.02373	2.1
77.03927	3.2
78.02552	1.6
79.05496	9.6
81.07050	3.0
81.48099	1.4
82.06584	7.2
87.04473	4.9
89.03915	1.8
91.01847	19.2
91.05480	14.7
93.03383	1.8
93.07037	4.6
94.06596	3.0
95.04958	6.5
95.08591	1.9
98.97586	3.4
100.07632	7.1
101.03895	5.6
102.64533	1.5
103.05479	5.2
105.04482	3.2
105.07043	4.7
115.05462	43.5
117.05827	1.6
117.06992	6.1
120.08078	1.9
120.12653	1.4
127.05434	3.8
128.06230	33.5
129.07030	14.9
131.08517	1.9
131.22295	1.5
132.08107	2.3
136.11307	2.4
136.92091	1.6
141.06998	36.4
142.07803	9.5
143.07268	1.6
143.08548	1.8
144.08145	1.7
145.06496	3.1
148.07565	10.9
152.06223	21.9
153.06979	15.2
154.07738	4.7
154.93230	4.6
155.06027	4.8
155.08574	5.8
158.09583	2.4
165.07007	19.7
166.07794	5.0
167.07324	1.5
167.08553	5.7
168.08090	4.4
169.06505	3.5
170.09663	2.6
172.94315	9.0
178.07730	3.4
180.08138	2.8
181.08731	1.5
181.10173	2.1
184.11130	2.4
186.18535	2.0
190.95332	7.0
191.08475	8.1
192.09325	4.7
194.09621	4.6
195.95932	4.5
196.11317	1.7
200.20000	2.1
208.11191	2.2
209.12012	1.8
213.96928	5.2
224.14319	9.1
236.93550	1.8
236.98660	4.2
242.15421	20.2
260.16464	100.0
260.22195	7.2
261.16748	2.3
266.04523	1.7
278.96829	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	260.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.3
68.05025	0.3
68.43832	0.1
69.38415	0.2
69.51267	0.6
70.06592	100.0
71.06921	0.5
78.96621	0.2
80.43587	0.2
84.08144	0.2
98.97583	0.7
116.98693	0.3
118.21136	0.2
128.04228	0.2
160.19478	0.2
172.94276	0.2
236.93636	0.2
236.98677	0.6
242.17503	11.1
260.18555	4.3
260.22510	0.3
278.00912	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	260.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01866	1.4
55.05514	12.7
56.05034	5.2
57.03439	0.5
57.07071	2.0
58.02959	0.9
58.06598	0.7
60.04528	19.4
64.02480	0.3
64.27889	0.4
65.03948	0.5
67.05508	9.7
68.05020	0.4
69.07073	9.2
70.02924	0.7
70.03237	0.4
70.06592	3.0
71.04995	1.4
71.08627	1.1
71.55022	0.4
72.04519	3.6
79.05504	4.7
80.04993	0.8
81.07063	12.3
82.01233	0.3
82.06583	1.6
83.04992	2.1
83.08624	6.5
84.04506	1.6
84.08144	1.4
85.06535	0.9
85.10213	0.4
86.06070	3.6
91.05470	2.7
93.07052	5.2
94.06563	0.6
95.04965	0.7
95.08017	0.7
95.08610	12.7
96.08127	1.7
97.06524	2.4
97.10175	4.2
98.06052	1.1
99.08067	0.7
100.07622	0.8
105.07023	1.3
107.08599	4.3
109.06510	0.4
109.10149	3.9
110.09691	0.8
111.08083	0.8
113.09653	0.5
119.08570	1.2
121.10157	4.2
122.92207	0.3
123.11695	1.0
125.09598	0.6
125.54554	0.3
133.10141	1.6
135.11678	1.4
135.48686	0.4
137.13310	0.6
147.11597	0.5
163.14824	1.2
177.16327	0.4
181.15897	1.1
189.16385	1.0
194.19067	2.3
195.17496	0.4
196.20583	1.9
200.20135	1.0
206.19073	2.1
207.17429	1.0
212.20100	6.1
214.21715	2.8
224.20096	13.4
225.18567	2.0
230.21164	10.8
242.21152	28.2
243.21498	0.9
248.84087	0.4
260.22220	100.0
261.22546	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	260.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.05034	3.4
56.39391	0.4
56.96566	0.9
57.03441	0.4
57.07071	0.5
58.06605	1.3
67.05504	2.5
69.07059	2.7
69.16640	2.1
70.06594	5.3
71.04980	0.6
71.87503	0.3
74.06084	8.3
79.05479	0.8
81.07060	3.2
81.85621	0.4
82.06564	1.8
83.04973	0.4
83.08628	0.8
84.08140	1.2
86.06062	0.9
87.04459	0.7
93.07056	1.4
94.06569	9.1
95.08589	2.3
95.73127	0.3
96.08131	0.9
98.06031	0.4
98.23473	0.6
98.97575	1.1
100.07622	0.7
104.59734	0.4
107.08560	0.5
108.08134	0.9
109.10168	0.8
114.09180	1.6
115.95268	0.4
116.07103	0.8
116.98638	0.6
134.99757	0.6
146.08122	4.2
154.93230	0.8
163.03940	0.4
172.17032	2.0
172.94324	1.3
184.16982	0.7
190.95352	1.3
192.99632	0.5
195.95914	0.6
198.14967	1.3
203.13080	0.6
206.19040	1.4
212.20331	0.4
213.96884	0.5
214.21602	0.4
216.15935	1.1
218.97639	0.5
224.20113	7.2
236.93591	0.5
236.98595	2.5
242.21176	7.6
251.11801	0.5
254.99638	0.9
260.00027	0.7
260.16724	2.5
260.22217	100.0
261.13095	0.5
261.22501	1.5
278.01013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.5
55.05513	5.1
56.05029	2.7
56.96566	1.4
57.03432	3.9
57.07084	2.7
58.06602	2.4
59.81496	0.4
60.04528	15.7
67.05503	6.6
68.05034	3.0
69.03435	1.5
69.07072	9.6
70.06588	3.2
70.33156	1.1
70.33506	0.7
71.05000	3.8
71.08631	1.1
72.04521	0.9
74.06081	3.2
75.02366	0.5
79.05495	3.3
80.05022	0.8
81.07068	7.7
82.06588	2.7
83.04983	1.3
83.08617	3.2
84.04495	0.5
84.08160	1.2
85.06557	0.6
85.09373	0.5
86.09746	0.6
86.40353	0.5
87.04482	1.5
88.07625	0.7
90.05550	1.6
91.01851	2.8
91.05471	3.7
93.07037	1.5
94.06568	5.1
95.04977	0.9
95.08604	9.9
97.10189	1.4
98.06060	1.6
98.97610	1.0
100.07619	1.0
100.11238	1.9
101.03933	0.8
103.05505	0.8
107.08665	0.5
109.10165	3.8
110.13999	0.6
110.75928	0.6
112.07607	0.6
115.05452	6.1
116.98602	1.0
117.07019	1.9
128.06232	3.4
129.06993	1.5
141.07022	3.3
142.07811	0.8
143.04958	0.5
143.08582	0.6
145.06500	4.8
152.05125	0.6
152.06190	3.7
153.06958	2.1
154.07791	0.7
154.15930	0.8
154.93289	1.2
155.06050	0.9
155.08546	0.9
155.91872	0.5
156.17459	2.1
165.07031	4.4
166.07706	0.6
167.08589	1.3
168.08067	1.0
168.17497	1.0
169.06514	0.5
170.09644	0.8
170.19069	2.3
172.94292	2.0
182.09671	0.5
182.19086	0.5
186.18538	33.8
190.95296	2.3
191.08502	1.2
194.19070	7.6
195.17418	1.2
195.96008	1.3
196.20593	1.5
198.18541	0.8
200.20102	0.7
206.19003	2.9
209.18674	0.6
212.20172	1.2
213.96954	1.7
224.14415	1.1
224.17844	0.8
224.20085	14.5
224.23619	1.0
236.93613	0.7
236.98668	1.2
237.47723	0.6
242.15479	3.9
242.21150	15.0
242.24803	7.7
243.25243	0.7
260.16464	9.3
260.22214	100.0
260.25644	3.9
261.19550	3.7
261.22559	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	260.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50697	0.8
55.05503	5.4
56.05029	2.5
56.96560	3.1
57.03434	4.4
57.07067	2.7
58.91588	0.7
60.04523	7.3
61.62927	0.7
67.05508	6.2
68.05026	6.1
69.03426	2.3
69.07066	8.9
69.72176	2.6
70.06589	3.3
71.04996	3.4
71.08617	1.7
72.04515	1.0
74.06072	1.9
79.05479	1.4
81.07056	7.9
82.06580	2.5
82.16595	0.8
83.04952	1.0
83.08606	3.9
85.34743	0.8
87.04468	2.3
88.23293	0.8
91.05479	1.7
93.07043	1.7
94.06565	5.9
95.04960	0.9
95.08605	11.1
97.06595	0.8
98.06045	2.9
98.97569	1.4
107.08650	1.4
108.08107	1.0
109.10148	3.5
112.07585	1.0
116.98625	2.2
136.92169	1.0
152.06250	0.8
154.15913	1.4
154.93217	2.3
156.17473	2.9
162.49449	0.8
168.17497	1.0
170.19092	1.3
172.94319	5.1
186.18527	44.4
190.95328	3.6
194.19061	10.2
195.95903	4.2
196.20578	1.3
200.20137	1.3
203.13063	0.9
206.19026	3.2
212.19955	1.0
213.96965	2.0
224.20079	18.5
236.93506	1.2
236.98648	2.0
242.15425	1.6
242.21101	11.7
260.16553	5.1
260.22214	100.0
261.22583	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03937	1.4
55.01868	1.0
55.05265	0.7
55.05509	10.4
57.03427	1.0
57.07065	2.6
59.04988	0.5
65.03940	1.2
65.58037	0.5
67.05502	33.7
69.07066	9.8
71.04989	1.5
71.08627	1.4
74.97052	0.5
76.78021	0.5
77.03925	1.1
79.05493	48.8
81.03404	0.7
81.07054	38.4
83.05001	1.1
83.08609	6.2
85.06554	3.0
91.05477	24.0
93.07043	66.7
94.07367	0.9
95.04967	4.1
95.08604	25.5
97.06508	2.3
97.10140	2.0
99.08094	2.1
105.04488	1.5
105.07026	16.9
107.08590	41.6
109.06533	2.1
109.10148	10.3
111.08064	2.4
111.11741	0.6
113.09635	1.0
116.06037	0.5
117.07005	5.5
119.06057	0.6
119.08572	12.6
121.10140	35.3
122.10446	0.6
123.08041	1.1
123.11716	3.6
125.09638	1.3
131.08559	13.2
133.10123	10.6
135.11688	30.7
135.87921	0.6
137.09615	1.3
137.13223	1.0
145.10114	10.4
147.11685	10.1
147.12836	0.8
149.13255	21.1
151.11189	1.2
151.14784	0.7
153.12787	0.5
157.10164	0.6
159.11716	8.5
161.13245	8.7
163.11143	0.6
163.14804	12.5
165.12654	1.0
173.13258	8.3
175.14853	3.4
177.12802	0.6
177.16399	3.9
179.14307	1.1
187.14812	5.3
189.16403	0.9
191.14279	0.8
201.16351	2.0
205.15852	0.9
215.17990	1.1
219.17319	0.9
233.22636	1.4
243.21078	21.8
244.21448	1.1
261.13000	2.0
261.22122	100.0
262.22504	3.9
262.24982	0.9
278.96716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05256	0.6
55.05510	8.8
57.03448	0.9
57.07074	2.5
63.88796	0.4
65.03930	1.0
67.05505	30.5
69.07063	11.5
71.04990	1.9
71.08620	1.4
72.51389	0.5
77.03944	1.0
79.05491	44.6
81.03458	0.6
81.07054	36.1
83.04985	1.0
83.08611	6.1
85.06547	2.6
85.10161	0.6
91.05476	21.5
93.07040	60.1
95.04964	4.3
95.08603	27.1
97.06520	2.0
97.10152	2.5
98.22667	1.3
98.98473	0.5
99.08101	2.0
105.04505	1.8
105.07024	13.8
107.08590	39.5
108.08864	0.5
109.06516	1.8
109.10154	10.8
111.08060	2.6
111.11714	0.6
113.09662	0.7
117.07000	4.5
119.08578	11.4
121.10142	32.5
123.08083	0.9
123.11709	3.2
125.09650	0.8
129.06973	0.7
130.07777	0.6
131.07800	0.3
131.08563	11.5
133.10123	10.3
135.11685	27.4
137.09587	1.1
137.13257	1.3
139.11176	0.6
145.10120	11.2
147.11682	8.3
149.09612	0.5
149.13251	22.2
151.11168	0.6
151.14836	0.9
153.12764	0.9
159.11707	7.2
161.13261	9.1
163.11168	0.6
163.14816	12.3
163.16171	0.7
165.12698	0.9
173.13251	8.2
173.14728	0.4
175.14803	3.3
177.16409	3.8
179.14305	1.5
187.14824	6.0
189.16362	0.6
201.16360	2.8
205.15718	0.5
215.17970	1.2
219.17450	0.9
228.54063	0.4
233.22649	1.5
243.21072	21.2
244.21414	0.8
261.22128	100.0
262.22382	2.6
281.07001	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.61840	0.4
55.05259	0.6
55.05513	10.2
57.03450	1.1
57.07079	2.3
62.42339	0.5
62.56175	0.4
65.03930	1.0
67.05505	29.5
69.06718	0.5
69.07072	8.5
69.62103	1.6
71.04992	1.4
71.08615	0.9
76.85572	0.4
77.03918	1.8
79.05496	43.8
81.07057	32.8
83.04969	0.6
83.08640	4.7
85.06546	2.3
91.05481	20.3
91.06058	1.0
92.05807	0.7
93.07045	57.2
95.04984	3.9
95.08607	24.8
95.09121	0.4
96.08939	0.5
97.06535	2.0
97.10155	1.4
99.08095	2.6
103.05485	0.6
105.04491	1.5
105.07034	13.7
107.08593	33.2
109.06512	1.7
109.10161	9.9
111.08079	1.5
117.07019	4.5
119.06091	0.7
119.08585	10.3
121.10146	31.6
123.08078	1.0
123.11714	3.2
131.08565	10.6
133.10130	8.9
135.11694	25.4
137.09607	0.8
137.13210	1.2
145.10133	9.7
146.10469	0.6
147.11693	7.4
149.09581	1.0
149.13257	20.0
151.14874	0.7
153.12714	0.7
159.11705	8.8
161.13263	8.4
163.14815	12.3
165.12761	1.1
173.13268	8.3
175.14845	2.8
177.12793	0.6
177.16402	3.6
179.14319	0.5
187.14848	4.8
189.16405	0.7
201.16406	2.2
206.24556	0.5
210.50980	0.5
215.17911	0.9
216.04803	0.5
217.19595	0.5
219.17355	0.7
222.99260	0.4
229.94098	0.5
233.22780	0.9
243.18568	1.0
243.21077	21.4
244.21384	0.5
261.22134	100.0
262.22543	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03951	0.8
53.04276	0.4
54.35646	0.5
55.05512	9.7
57.03428	1.1
57.07072	2.7
65.03944	1.3
67.05507	27.7
69.06708	0.7
69.07071	9.4
69.61803	0.8
71.04990	1.1
71.08621	0.8
73.47004	0.4
75.31877	0.4
77.03931	1.8
79.05494	42.5
81.07059	34.0
83.05006	0.7
83.08620	5.6
85.06532	2.2
85.10149	0.5
91.05482	18.8
93.07047	54.9
94.07385	1.0
95.04977	4.2
95.08611	24.3
97.06531	2.2
97.10172	2.0
98.23422	0.9
99.08086	2.4
101.06958	0.4
105.04525	1.5
105.07030	12.4
107.08595	36.5
109.06496	1.7
109.10162	10.7
111.08070	1.8
111.11682	0.8
113.09608	0.8
117.07027	5.6
119.06078	0.8
119.08585	9.6
121.10153	32.7
123.08045	0.9
123.11686	2.6
129.46295	0.5
130.81364	0.4
131.08565	11.1
133.10136	11.2
133.11121	0.8
135.08008	0.5
135.11696	27.7
137.09622	1.3
137.13292	1.0
139.11145	0.8
145.10130	10.0
147.11691	7.7
149.09685	0.5
149.13255	18.7
151.11131	0.6
153.12737	0.6
159.11703	8.2
161.13242	7.4
163.11153	0.9
163.14818	12.9
165.12727	0.8
173.13255	7.8
173.63750	0.5
175.14832	3.2
177.16454	3.1
179.14328	0.9
187.14812	5.2
201.16306	2.4
205.15967	0.6
215.18002	1.3
217.19382	0.6
219.17502	1.0
233.22736	1.1
243.21101	20.5
244.13760	0.4
244.21490	0.6
261.22137	100.0
262.22488	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.3
50.27821	0.3
53.03942	1.6
55.01867	1.0
55.05511	11.7
57.03446	1.6
57.07079	5.3
59.04993	0.3
59.95817	0.3
65.03938	1.3
67.05506	40.3
68.05840	0.3
69.07066	11.5
70.96239	0.4
71.05000	2.4
71.08630	3.9
77.03936	1.4
78.04720	0.4
79.05495	60.3
80.05833	0.8
81.03406	0.4
81.07057	41.9
82.14046	0.3
83.04984	1.7
83.08621	6.2
85.06560	3.7
85.10210	1.5
91.05480	29.7
93.07045	79.9
94.07364	1.1
95.04343	0.4
95.04967	7.4
95.08607	30.3
96.08938	0.5
97.06523	4.1
97.10161	2.5
99.08103	3.6
103.05471	0.5
105.04530	2.8
105.07034	20.3
107.04943	0.6
107.08595	48.6
108.08921	0.6
109.06493	2.4
109.10159	12.5
111.08105	2.1
111.11713	0.4
113.09631	1.5
115.05438	0.7
116.06181	0.4
117.07018	8.0
119.06058	0.7
119.08582	13.8
121.10145	36.5
122.10464	0.5
123.08056	1.3
123.11717	3.7
125.09635	0.5
127.11231	0.5
129.06979	0.8
130.07788	0.8
131.08568	18.8
132.08971	0.4
132.38388	0.3
133.10136	11.1
135.08098	0.9
135.11693	28.2
136.11972	0.3
137.09587	1.2
137.13264	2.3
139.11165	0.5
143.08510	0.4
144.09314	0.4
145.08958	0.7
145.10120	15.2
147.11682	9.5
149.09657	1.8
149.13254	21.5
151.11153	0.5
151.14822	1.4
153.12750	1.6
157.10101	0.4
159.11694	9.3
161.11888	0.4
161.13255	9.2
163.11174	1.0
163.14821	13.9
165.12732	0.8
167.14359	0.9
171.11707	0.6
173.13255	9.4
174.13756	0.4
175.14806	3.5
177.12863	0.4
177.16388	5.0
179.14290	1.3
187.14819	6.6
189.16356	0.7
191.14259	0.8
193.15747	0.4
201.16400	2.3
203.17931	0.4
205.15910	0.8
215.17990	1.4
217.00214	0.3
217.19637	0.7
219.17439	1.1
233.22638	2.7
243.21086	28.4
244.21478	0.8
261.22131	100.0
262.22437	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03936	1.6
55.01861	1.2
55.05513	11.4
57.03439	1.1
57.07080	6.0
65.03932	1.5
67.05506	40.8
69.07069	10.5
69.57071	2.4
71.04983	2.3
71.08630	2.8
77.03918	1.5
79.05495	60.1
81.07058	43.4
83.04974	1.1
83.08627	6.2
85.06548	3.7
85.10169	1.1
86.86501	0.6
91.05482	27.2
93.07045	77.6
94.07373	0.8
95.04971	6.6
95.08609	31.9
97.06522	3.0
97.10162	2.4
98.22733	0.8
99.08112	3.7
100.82919	0.6
105.04502	2.4
105.07029	19.4
107.08595	46.6
109.06511	2.6
109.10159	10.4
111.08080	1.7
113.09631	2.4
117.07017	6.6
119.06066	0.7
119.08585	14.0
121.10147	36.8
123.08053	1.5
123.11725	4.3
124.75038	0.6
124.97935	0.6
125.09625	1.1
129.07036	0.8
131.08571	17.4
133.10138	10.9
135.08054	1.2
135.11691	29.4
136.11989	0.8
137.09637	1.4
137.13246	1.8
145.10121	14.2
147.11681	8.7
149.09555	1.8
149.13261	19.9
151.11182	0.9
151.14830	1.3
153.12691	1.1
159.11699	10.1
161.13257	11.6
163.11208	1.0
163.14832	15.8
171.11630	0.7
173.13263	10.0
175.14781	3.5
177.12781	0.8
177.16425	5.3
179.14297	1.3
187.14836	7.9
189.16373	1.1
201.16389	2.3
203.18042	0.9
205.15916	1.2
215.17929	1.9
219.17374	1.1
233.22606	2.9
243.21088	29.9
244.21446	1.3
261.22141	100.0
262.22482	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	262.1804
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
53.03947	3.4
55.01860	2.5
55.05505	5.2
55.42113	1.2
56.05020	5.3
57.96095	1.3
58.06594	2.4
60.04528	78.0
62.94658	1.3
65.03931	4.8
67.05505	13.8
68.05019	2.3
69.03418	2.0
69.90411	2.2
69.90744	2.8
70.06570	4.1
77.03904	2.8
79.05492	24.6
81.03410	1.7
81.07060	9.8
82.06585	4.9
83.05003	2.7
86.06039	1.9
88.07632	3.2
91.05482	40.4
93.03412	8.6
93.07060	7.8
94.06557	5.2
95.04983	9.8
95.08614	4.4
96.08125	1.9
100.07632	3.2
103.05473	6.6
104.99274	100.0
105.04511	4.2
105.07026	13.8
106.06590	3.1
107.08586	2.3
108.08112	1.4
115.05447	15.3
116.06229	2.9
117.07026	14.7
118.06533	1.8
119.08573	5.6
119.90066	1.4
120.08103	9.7
121.06499	2.3
121.55500	1.3
128.05322	2.2
128.06226	30.2
129.07021	22.4
130.06453	2.1
130.07822	1.9
131.07187	2.1
131.08560	9.8
132.08072	3.9
134.09682	3.2
135.08032	1.9
141.07005	15.3
142.07777	9.6
143.07466	2.5
143.08553	10.0
144.08099	6.6
144.09161	1.9
145.06468	4.3
145.10172	2.5
146.09651	4.1
149.91280	1.4
152.06213	1.7
153.06993	10.0
154.07762	4.2
155.06044	3.5
155.08583	11.1
156.08125	1.9
157.08945	1.5
157.10149	4.5
158.09674	3.8
165.07045	9.8
166.07777	3.3
167.08583	6.1
168.09348	3.0
169.10121	2.3
170.09628	5.6
172.11143	2.0
178.07790	2.1
179.08548	7.7
181.10144	3.3
182.09628	2.2
183.10353	1.5
184.11243	3.0
185.11819	1.8
197.13255	1.7
198.12782	2.0
198.98863	1.6
200.20085	5.4
210.12744	1.7
227.14334	1.7
244.16956	16.8
251.65277	1.4
262.14188	4.6
262.18030	70.5
262.23828	6.3
262.98193	2.6
263.18280	2.2
265.93826	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1805
Annotation	Isoinundatine
Peak:m/z	Relative Intensity
53.03937	2.2
55.05512	6.0
56.05041	8.7
56.05293	1.7
57.03207	1.2
57.03441	10.9
57.07079	5.5
58.06597	3.1
60.65855	1.1
65.03945	7.8
67.05495	5.2
69.03403	3.4
69.07063	1.8
70.06595	26.4
71.08626	4.7
72.08150	5.7
74.05702	2.1
74.06084	29.1
77.03923	1.6
79.05490	17.0
80.05032	1.3
81.03405	1.5
81.07051	3.6
82.06583	22.9
83.04966	3.7
83.07363	1.7
84.08138	1.8
88.07634	18.6
91.05483	26.6
92.04996	1.3
93.03406	26.6
93.07040	5.9
94.06575	6.4
95.04965	8.7
95.08601	1.2
96.08110	2.3
100.07619	21.7
101.06012	3.1
102.09184	11.7
103.05463	5.1
103.57494	1.1
104.99273	100.0
105.03396	1.2
105.04512	4.2
105.07037	10.7
107.04935	1.3
107.08572	3.2
108.08089	2.2
115.05462	13.2
116.06223	3.1
117.07030	9.5
119.08592	3.6
120.08102	2.6
121.06512	1.8
128.06224	20.2
129.07013	20.1
130.06459	1.7
130.07788	2.1
131.07288	2.5
131.08566	4.8
132.08032	2.0
133.10117	2.3
134.09673	2.8
136.11223	4.1
141.06975	17.6
142.07751	5.1
143.07475	1.6
143.08517	9.1
144.08105	2.9
145.06476	2.1
145.10100	4.1
146.09648	2.3
147.08015	1.5
152.06212	3.7
153.06996	22.1
154.07776	9.1
155.06036	4.2
155.08575	6.6
156.08092	4.4
157.08929	2.0
157.10136	1.6
158.09700	1.5
165.07010	6.2
166.07780	3.4
167.08524	3.7
168.08095	2.5
168.09390	2.1
169.10150	2.3
170.09610	8.0
171.08150	1.2
172.11211	4.3
173.09671	3.6
179.08553	7.4
180.97926	1.2
182.09686	2.9
184.11250	2.8
196.11220	6.7
198.12752	1.7
198.98901	3.2
200.18228	1.9
200.20102	42.4
210.12778	4.0
226.15910	12.3
244.16988	45.7
244.22688	2.4
245.17239	1.9
262.15112	2.2
262.18033	58.9
262.23779	88.5
262.98010	3.6
263.18307	1.7
263.24149	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	262.238
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05509	4.6
56.05029	0.7
57.03433	1.7
57.07089	1.0
58.06607	10.1
58.89711	0.5
59.05005	1.1
59.62095	0.6
62.50222	0.5
67.05511	8.5
69.07073	5.4
69.45107	2.3
69.45431	0.6
70.06590	4.3
71.04993	0.8
71.08647	0.5
72.04545	0.8
74.06085	2.3
79.05503	2.4
81.07065	8.8
82.06564	0.7
83.08634	3.1
84.08157	0.8
85.06534	1.1
85.10211	0.6
93.07058	2.8
95.08611	14.7
96.08131	1.5
97.06554	0.8
104.99266	5.0
107.08595	1.5
109.10176	4.4
110.09670	0.7
121.10146	1.3
135.11714	1.2
141.66112	0.5
149.13260	0.8
151.14923	0.7
152.73792	0.6
174.04422	0.5
184.18190	0.5
191.18053	0.6
208.20612	10.6
226.21648	12.4
237.27872	0.5
244.22752	8.5
262.23788	100.0
262.98007	0.6
263.24146	2.0
266.66678	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.9782
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06602	2.1
70.24979	3.7
74.68803	2.1
82.02705	2.3
83.01114	2.0
83.68195	1.7
88.95421	1.7
98.23372	2.0
101.00856	4.1
104.32461	1.9
104.99263	10.3
119.01912	5.2
120.96627	1.9
133.59106	1.9
142.03513	4.4
142.93871	9.6
143.01862	2.1
156.97481	9.4
161.03000	3.5
164.92043	36.3
174.98555	4.0
180.89345	100.0
197.99251	2.0
198.98593	6.0
212.90494	1.7
216.99596	7.4
245.01749	3.4
263.02917	24.0
263.06149	10.9
265.90082	1.9
280.89618	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	262.9782
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68487	2.0
54.33977	1.9
55.44886	1.9
61.75826	2.1
66.56376	1.9
70.26230	2.1
70.26566	5.0
71.38315	1.9
75.28423	2.1
82.02708	2.6
91.34676	1.9
98.22785	2.7
98.91928	2.7
101.00851	4.2
104.99269	10.5
119.01928	5.8
131.01906	2.0
136.87766	1.9
142.03465	3.8
142.93866	6.9
149.20248	2.1
156.97537	10.8
161.02966	5.5
163.57684	2.3
164.92032	31.1
167.05580	2.4
174.98470	5.9
179.00827	2.5
180.89317	100.0
182.32104	1.9
198.64793	2.4
198.98528	7.5
215.85175	2.2
216.99588	10.2
257.96771	3.8
263.00198	3.7
263.02856	22.9
263.06128	12.5
280.89587	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	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90339	8.0
61.06305	8.5
63.98247	7.3
66.13334	7.2
70.06401	22.5
88.48031	7.5
101.00877	28.5
112.89626	47.1
114.89344	26.0
119.01941	21.3
131.01930	16.4
143.01894	64.8
147.88980	7.4
155.01851	9.4
161.02965	100.0
173.02977	31.5
190.92967	6.7
191.04007	28.6
203.04018	23.8
205.33331	7.9
225.81306	7.6
263.01700	85.5
263.06052	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00528	13.5
74.08234	9.2
112.89621	15.1
119.01946	10.7
143.01933	31.2
161.02948	50.5
168.24036	9.7
173.02904	11.5
174.51993	11.1
203.04094	11.2
263.01697	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66820	13.1
61.75058	12.6
69.18427	11.9
70.50795	19.3
73.83802	11.9
89.53365	11.5
112.52572	12.8
112.89610	15.7
114.60259	12.4
114.89365	19.6
142.90694	12.9
161.02995	17.9
210.32999	13.9
263.01617	100.0
267.39124	13.9
275.38605	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19688	0.4
68.98307	0.6
69.03439	0.5
69.35355	1.2
69.35776	1.7
71.90072	0.6
72.66563	0.5
73.02927	1.2
82.99821	4.3
86.99339	0.9
97.02878	1.1
98.06045	0.7
101.00885	29.6
102.00972	0.8
102.96882	0.8
103.00625	0.5
105.00372	0.8
113.00874	8.7
119.01926	29.1
119.04948	1.5
120.02061	0.7
121.01631	0.5
121.54632	0.6
131.01913	18.7
137.02960	2.1
143.01904	58.9
144.01999	1.8
145.03479	1.5
147.04416	13.4
149.02963	1.5
155.01886	13.8
157.03473	1.6
161.02965	100.0
162.03065	2.6
167.01933	1.8
173.02966	32.9
174.03059	0.9
179.00710	2.7
179.04041	1.7
184.04599	1.5
185.02925	5.9
187.04498	0.5
191.04012	19.5
196.04398	0.5
197.02937	1.4
199.03105	0.5
199.85173	0.5
202.26013	0.5
203.04010	25.2
215.04085	0.9
218.05154	0.5
221.01686	4.0
221.05090	3.5
227.00731	0.8
233.05008	2.4
239.06105	1.1
245.01819	3.9
245.05074	1.2
246.11311	3.3
261.03122	0.7
263.02899	30.6
263.06137	26.6
263.08673	0.7
263.13806	1.1
264.03128	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0613
Annotation	Unknow
Peak:m/z	Relative Intensity
60.41553	0.4
67.55236	0.4
67.66794	0.4
69.74086	0.5
69.77374	0.8
69.77737	1.0
70.99864	0.4
82.99829	3.4
85.02886	0.6
86.99327	0.8
92.28647	0.5
94.99839	0.8
97.02891	0.7
100.18085	0.4
101.00877	28.7
102.00969	0.8
113.00867	11.1
115.02425	0.7
119.01918	26.3
119.04910	1.0
131.01906	19.4
137.02965	1.6
143.01903	62.5
144.02036	1.8
145.03433	1.5
147.04424	5.8
149.02972	1.8
155.01889	17.8
156.01956	0.5
157.03456	1.6
161.02956	100.0
162.03093	2.1
167.01880	1.4
173.02965	36.8
174.03076	1.3
178.35045	0.4
179.04041	1.8
184.04562	1.3
185.02959	5.8
187.04610	0.5
191.04010	19.4
197.03000	1.3
203.04010	19.8
204.04259	0.5
215.03943	0.9
221.05116	4.0
225.49146	0.5
233.05116	2.2
239.06042	0.6
245.04874	0.6
246.11351	0.8
263.01968	2.7
263.06116	24.8
264.06442	1.0
273.14609	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1279
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03953	1.1
55.01863	2.3
55.05514	3.7
67.05505	4.8
69.03429	10.8
69.07056	2.1
69.26419	2.1
69.26774	5.0
70.06597	1.5
72.29470	1.1
73.35477	1.0
79.05501	7.3
81.07063	8.2
83.05011	2.7
85.02889	1.3
86.09710	4.3
87.04475	1.8
91.05488	11.0
93.07059	6.2
95.04975	5.1
95.08625	3.8
97.02876	2.7
97.06534	13.0
97.10127	1.3
103.05465	1.3
104.99274	23.5
105.03387	1.3
105.07011	11.4
107.04966	4.5
107.08590	15.5
109.02875	4.0
109.06511	6.9
109.10176	1.7
111.04440	8.2
111.08097	1.4
113.02366	5.7
115.05468	3.0
117.07025	6.1
119.04980	7.6
119.05790	1.5
119.08563	10.5
121.06519	6.0
121.10159	2.6
121.29528	1.1
123.04411	7.3
123.08096	3.3
125.09740	1.2
128.06239	4.4
129.07024	3.8
130.07716	1.2
131.04958	1.9
131.08577	7.9
132.05608	1.2
133.02866	3.8
133.06528	5.8
133.10120	2.6
134.06093	1.3
135.08054	100.0
137.05969	4.1
137.09586	1.7
139.07535	1.9
141.06993	3.2
142.07773	7.4
143.08542	8.0
144.09412	2.5
145.06531	5.5
145.10136	2.9
146.07220	1.3
147.03287	2.3
147.04417	36.4
147.08061	7.1
147.11665	1.9
149.05981	1.7
149.09639	1.9
151.07561	2.3
153.07086	1.4
153.09100	1.8
155.08514	1.7
156.09369	11.4
157.06551	1.9
157.10130	7.9
158.07361	2.6
159.08025	7.5
159.11684	9.6
160.08847	2.4
161.03011	1.3
161.06003	5.2
161.09644	6.7
163.07489	3.1
166.07788	2.9
168.09319	1.4
169.06493	2.7
169.10208	1.4
170.07294	2.2
171.08069	1.9
171.11674	9.1
172.08803	6.5
173.09621	12.7
173.13283	1.8
174.06752	2.3
175.07550	3.0
175.11180	4.9
179.07034	2.3
181.10176	3.7
184.08826	5.6
185.09628	5.1
187.07574	3.0
187.11192	30.7
188.08359	4.0
189.05400	2.0
189.09103	2.6
189.12804	4.6
197.09564	1.9
199.07585	2.5
199.11192	22.4
202.09827	1.5
203.10674	34.0
209.09641	2.8
212.08362	4.4
215.10678	22.0
217.08730	1.8
217.12227	21.4
227.10680	18.7
227.12759	1.7
233.11725	20.2
245.11728	56.0
246.11424	4.7
246.14737	1.1
262.98166	1.5
263.10312	2.2
263.12784	22.8
263.17545	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	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77542	0.2
70.17870	0.5
71.72282	0.2
91.05484	3.9
96.03842	0.2
97.88022	0.2
98.23548	0.2
100.07620	5.4
101.00906	0.2
104.99273	3.0
110.12914	0.2
119.04946	14.8
120.77573	0.2
125.20548	0.2
131.01883	0.2
143.01845	0.2
147.04407	100.0
148.04784	1.9
161.02985	0.5
164.07114	0.6
169.81293	0.2
234.11244	0.8
246.11258	17.8
263.09756	0.4
263.13876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56929	0.3
60.90915	0.2
66.73801	0.2
70.37493	0.6
85.02918	0.2
91.05494	4.0
95.08521	0.2
95.45663	0.2
100.07027	0.4
100.07623	5.2
104.99281	6.6
119.01962	0.3
119.04945	16.6
131.01912	0.3
137.81430	0.3
143.01923	0.8
147.04413	100.0
148.04750	1.8
161.02986	1.2
164.07158	0.7
173.02881	0.3
175.07573	0.3
191.04041	0.3
204.10286	0.5
204.53757	0.3
234.11258	1.2
245.12888	0.3
246.11258	19.0
247.11572	0.3
263.05957	0.3
263.09509	0.6
263.13867	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	263.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	2.2
67.05517	1.1
69.07064	18.0
69.96122	3.0
70.06583	3.9
72.08141	1.1
76.54989	1.1
77.03927	15.3
79.01817	1.0
79.05502	1.5
84.08144	18.4
86.09701	100.0
87.10030	1.6
87.38251	1.0
91.05500	2.9
95.04947	3.5
95.08625	1.5
100.11247	2.9
101.78919	1.0
103.12331	5.1
104.99271	57.3
105.03385	31.3
106.06564	2.2
107.04972	5.0
112.07567	2.4
116.07083	12.7
117.13879	3.1
119.04936	6.9
120.08104	14.6
123.04437	3.1
129.10231	4.3
132.04512	1.3
133.02846	99.8
134.03238	1.7
134.05994	16.8
135.04430	5.6
141.10225	5.3
145.02933	1.2
146.03152	1.3
147.04398	41.3
150.05440	5.4
152.01884	1.2
161.02306	5.7
162.05521	5.5
163.03908	3.5
175.07658	1.1
177.05594	1.6
178.04909	22.1
180.97798	1.3
190.05075	3.1
190.12335	1.6
190.98904	1.3
198.98885	1.7
218.11752	23.1
235.14395	48.1
246.11264	26.8
262.98279	1.2
263.13965	75.7
263.17465	7.6
264.14368	2.2
265.53427	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1757
Annotation	10,17-Dioxo-beta-isosparteine
Peak:m/z	Relative Intensity
52.56047	0.3
65.03938	0.5
65.08972	0.3
66.08026	0.2
69.07059	0.7
70.06592	1.6
72.08155	0.5
78.19676	0.3
85.75797	0.2
86.09711	14.6
87.04472	0.6
91.05482	6.6
98.54045	0.3
100.07616	0.5
100.11261	17.9
101.06014	0.6
104.99277	12.3
116.09682	0.3
117.03409	0.6
117.13899	16.0
119.04947	23.6
120.05690	1.2
120.08144	0.3
131.97496	0.3
143.01950	0.4
143.11795	1.1
145.02859	2.0
147.04410	100.0
148.04750	2.0
161.02962	1.0
177.05482	3.3
190.98740	0.3
204.10144	0.4
230.03378	0.4
232.13283	0.6
234.11299	1.4
240.01817	0.5
245.12823	0.3
246.11285	2.9
246.96097	1.2
258.02914	0.6
262.98236	0.5
263.14175	1.9
263.17557	40.7
264.12289	0.4
264.17902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
52.06849	0.9
52.45790	1.1
55.05513	18.7
55.99877	0.9
57.06861	1.2
57.07079	10.7
63.74828	0.9
65.03942	2.3
67.05507	94.2
68.05832	1.2
69.07070	16.9
69.28963	5.0
71.04968	1.6
71.08637	5.7
78.53094	1.0
79.05490	20.6
81.07059	100.0
82.07381	1.3
83.08620	14.1
85.06539	5.6
85.10191	2.9
91.05478	14.0
93.07047	22.9
95.04957	1.5
95.08611	87.8
96.08944	1.3
97.06535	7.5
97.10165	6.8
99.08090	6.4
104.99283	24.5
105.07036	11.9
107.08604	14.1
109.06480	2.1
109.10163	49.8
110.10471	1.4
111.08073	4.7
113.09634	3.3
119.08591	14.9
121.10151	17.2
123.08072	1.7
123.11707	19.9
127.11176	1.7
133.10133	14.3
135.11688	10.9
137.09618	1.9
137.13278	8.3
139.11224	1.4
141.12749	2.6
147.11697	8.9
149.13251	10.1
151.14838	8.3
155.14285	3.1
161.13264	10.0
163.14824	8.9
165.16399	8.7
168.32681	1.1
175.14803	8.0
177.16463	1.8
179.17996	4.2
181.15791	1.8
189.16394	4.2
203.18002	1.3
217.19492	1.7
245.22656	38.8
246.22934	1.2
263.23715	92.8
264.24088	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	263.237
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
50.30318	0.7
50.99327	0.7
53.03949	1.2
55.01878	0.9
55.05255	1.2
55.05510	17.4
57.03424	2.4
57.07077	10.3
65.03925	2.5
67.05505	93.6
69.07068	15.1
69.18336	4.9
71.04967	1.8
71.08629	7.1
77.03911	1.4
79.05496	21.6
81.07057	98.3
82.07385	1.3
83.04987	1.6
83.08627	12.7
85.06541	4.8
85.10175	3.0
87.21945	0.7
91.05480	16.4
93.07040	22.7
95.04955	1.8
95.08607	90.0
96.08931	1.2
97.06532	6.5
97.10171	8.1
99.08071	5.9
104.99279	7.3
105.07021	11.8
107.08597	14.2
109.06510	1.4
109.10157	44.9
111.08042	4.4
111.11716	1.2
113.09626	2.5
119.08585	11.6
121.10149	17.5
123.08034	1.7
123.11713	21.7
125.09631	0.8
127.11172	1.4
133.10138	13.7
135.11687	8.9
137.09619	2.2
137.13245	8.4
138.68651	0.9
141.12744	1.9
147.11676	7.7
149.13266	8.7
151.14818	9.8
155.14401	1.1
161.13257	9.7
163.14816	8.4
165.16371	7.9
175.14830	9.1
177.16441	1.2
179.17981	2.5
181.15858	1.1
189.16382	2.5
207.17346	1.0
217.19447	1.7
219.21025	0.8
245.22647	34.4
246.22989	1.6
259.47693	0.8
263.23697	100.0
264.23984	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	264.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	100.0
67.97833	0.5
67.98176	0.8
70.69379	0.8
72.96066	2.1
74.97616	1.0
78.23813	0.5
81.04552	1.0
83.97646	2.0
97.22906	0.6
98.97585	18.4
112.97887	0.8
116.98631	6.8
122.07162	8.1
134.99648	1.5
142.32146	0.6
142.33380	0.5
144.04814	2.3
144.96844	1.6
147.04430	0.7
149.02760	1.2
162.03128	0.6
163.00610	1.4
165.02266	2.9
167.03867	1.1
176.03838	18.0
177.02225	0.9
178.05400	33.8
181.01740	1.2
183.03314	6.4
186.02322	1.3
190.01825	1.1
192.03334	2.3
194.04843	5.1
196.06454	13.7
201.04364	2.9
204.03300	12.4
208.02792	4.7
210.04417	1.3
219.03348	0.9
222.04378	95.8
223.04749	2.4
226.03821	1.4
240.05435	65.2
241.05766	0.7
245.06062	1.3
261.80313	0.6
263.07007	1.1
264.05453	32.2
265.06003	0.7
280.76776	0.5
282.06433	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.196
Annotation	Lycodoline
Peak:m/z	Relative Intensity
51.45963	2.0
53.00295	4.5
53.03944	4.1
53.49435	1.8
55.05515	14.1
56.05045	10.9
57.03448	17.6
58.06619	2.1
63.55151	2.3
65.03947	5.9
67.05501	18.1
69.07071	4.1
70.06590	14.9
71.46188	2.1
72.08146	7.4
74.06082	46.6
78.54626	1.7
79.05485	20.5
81.04554	2.9
81.07051	7.2
82.06580	28.4
83.07341	2.1
91.05483	45.0
93.07051	8.3
94.06577	7.7
95.04971	49.4
95.08617	2.4
96.08121	4.7
98.97609	2.0
100.07620	34.4
101.06013	8.0
103.05493	4.5
104.99268	14.1
105.04524	3.3
105.07030	22.2
105.99598	5.3
106.06593	2.1
107.08605	4.1
108.08104	3.4
115.05453	14.9
116.06268	3.5
117.07037	18.9
118.97813	2.0
119.08588	8.5
120.08081	4.6
121.06519	3.5
122.07159	31.4
122.09673	2.8
128.06232	34.7
129.07031	30.9
130.07782	4.6
131.07251	2.6
131.08591	13.2
133.10101	4.7
136.11235	4.3
141.06998	16.8
142.07813	10.8
143.08557	7.6
144.04744	9.5
144.08122	4.6
145.06500	5.4
145.08875	2.9
145.10069	6.0
146.09669	2.9
147.11685	2.2
153.06984	6.3
154.07814	6.0
155.06079	4.7
155.08553	8.0
156.08089	3.6
156.09334	5.0
157.08910	4.4
157.10141	3.8
158.09750	4.8
159.11630	4.1
161.09631	3.0
162.67200	2.3
167.08562	6.1
169.10143	5.6
169.50201	2.2
170.09644	3.7
171.11714	2.8
172.11195	4.7
174.12808	3.6
175.11154	3.3
184.11269	4.0
198.12872	3.5
200.14334	2.8
212.14284	2.9
228.17516	28.6
246.18549	100.0
264.16736	5.1
264.19598	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.4
58.04649	1.0
66.24184	1.4
69.07045	2.1
69.17345	6.4
72.08139	3.3
79.05480	2.4
80.05027	1.3
81.03407	1.2
81.04533	10.0
86.09698	5.7
89.10817	2.5
91.05482	6.0
95.04963	1.3
97.06515	2.1
103.05464	3.1
103.12344	4.1
105.07056	1.2
107.04929	2.0
115.05459	22.4
117.03372	5.3
117.07024	45.7
119.04926	3.2
119.08575	2.1
119.11766	1.5
121.06421	1.2
122.07156	86.9
127.05402	1.9
128.06224	4.8
129.07042	5.9
130.04164	2.6
131.04898	2.0
131.08580	2.7
132.05695	1.2
135.04428	5.2
137.05997	2.9
143.04976	1.9
144.04779	26.2
144.05780	1.8
145.02855	17.7
145.06494	81.9
146.06879	1.2
147.04440	6.6
147.08026	3.3
149.05930	2.0
151.99327	1.0
155.06027	18.4
156.05699	18.4
157.06430	4.1
159.08055	3.4
160.05127	1.7
161.05977	7.2
163.03893	20.7
167.07050	2.2
172.05223	1.5
173.05991	100.0
174.06360	2.7
175.03925	2.0
175.07568	2.6
177.05461	27.7
187.07529	4.6
190.04549	1.8
190.06259	37.0
202.06238	6.2
203.07033	16.9
205.08603	91.9
206.08955	3.0
217.08600	64.7
218.08943	2.3
219.10307	1.9
221.01834	4.8
234.12099	1.5
235.09593	8.3
241.50046	1.1
247.09608	2.9
248.12813	2.3
264.13754	1.3
265.00946	9.3
265.10770	5.9
265.15549	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22871	1.4
63.52999	1.4
67.05508	1.4
68.85419	1.3
69.45255	6.7
81.04537	12.2
91.05497	2.9
93.07090	1.7
103.05482	1.8
105.07047	1.5
107.04990	2.6
112.73838	1.5
115.05468	20.7
117.07024	36.2
119.08614	1.7
122.07162	100.0
125.02349	1.3
128.06256	2.7
129.07024	4.2
129.28680	1.5
130.04178	2.3
131.04897	2.2
131.08574	3.6
141.07068	1.9
141.27364	1.5
143.04982	3.3
144.04794	27.5
144.05762	2.3
145.01724	1.7
145.02806	1.9
145.05328	3.5
145.06490	67.1
147.04434	3.0
147.08041	2.9
155.06036	15.3
156.05699	16.3
157.06480	3.3
157.15414	1.5
159.08098	2.9
161.05972	4.1
167.07022	3.2
173.05997	86.0
175.03996	3.5
175.07599	3.4
177.05458	5.1
184.05191	1.9
187.07579	6.3
190.06270	36.2
202.06236	4.0
203.06996	11.9
205.08603	81.3
206.08990	2.0
217.08604	50.0
219.10164	3.1
235.09645	8.7
247.09702	4.5
265.08417	1.7
265.10876	5.7
265.14172	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	265.1436
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
53.03939	4.2
53.12168	1.8
54.88699	1.9
54.93685	1.7
55.01871	3.3
55.05526	9.9
57.07071	6.6
59.04999	3.8
65.03947	3.3
67.05505	14.0
68.99783	3.9
69.03429	24.5
70.06628	2.1
71.04993	2.1
79.05489	15.1
81.04545	3.8
81.07058	13.0
83.04979	53.5
83.08598	2.4
85.06572	3.3
91.05482	27.3
93.03365	2.3
93.07041	29.9
95.04969	7.8
95.08607	6.4
97.02896	4.2
97.06492	3.7
99.04482	2.4
105.07040	24.9
107.04936	3.2
107.08586	46.4
109.02872	18.7
109.06514	19.5
109.10165	4.1
111.04434	29.7
111.08052	3.9
111.63573	1.9
113.05999	4.3
115.05433	4.8
117.03379	5.6
117.07011	16.1
119.04951	3.3
119.08589	28.6
121.06506	51.7
121.10146	6.1
122.07159	53.1
122.07998	4.0
123.04452	3.2
123.08065	9.1
125.05997	3.0
125.09647	3.6
128.06212	2.3
129.06999	5.8
130.07724	3.6
131.08575	20.4
133.06508	2.2
133.10110	11.4
135.08054	93.8
135.11646	4.6
137.05972	4.7
137.09605	9.9
141.07080	2.1
143.08559	13.7
144.04810	13.8
144.09346	9.6
145.02817	13.4
145.06450	14.0
145.10155	13.4
147.04407	15.6
147.08012	9.6
149.05978	12.6
149.09605	24.6
150.10448	4.5
151.07520	4.8
153.09169	9.2
154.07899	2.0
155.08600	5.2
156.09305	2.7
158.07307	2.2
158.10925	11.3
159.08092	10.9
159.11676	33.5
160.08835	3.8
161.09636	9.7
163.03902	5.2
163.07532	53.5
163.11185	13.0
165.09105	5.3
169.10127	3.9
170.10875	5.4
171.08067	4.8
172.08791	13.9
173.05952	3.2
173.09613	19.6
173.13251	42.2
177.05461	26.0
177.09023	2.6
177.12730	5.0
183.11722	7.7
185.13283	6.1
186.10385	19.5
187.11177	94.0
188.11511	3.2
189.09116	3.2
191.07034	25.7
196.08817	4.9
201.12735	65.6
202.20711	2.8
203.14088	2.4
205.12216	24.2
209.08165	6.5
211.11238	10.9
219.13803	22.0
229.12244	74.0
230.12570	2.9
247.13269	100.0
248.13388	2.4
248.20155	2.3
264.24405	5.8
265.14728	10.8
265.24689	4.4
266.17545	2.1
266.21109	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	265.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.7
57.02386	1.1
60.04529	3.2
60.63713	1.1
61.88005	1.2
67.05487	1.7
69.03423	4.7
69.83479	4.2
70.02958	1.4
72.08150	7.4
77.67418	1.2
79.05489	3.6
81.04541	4.8
81.07037	2.9
83.04977	12.4
86.09706	4.8
87.04468	5.6
88.03994	12.9
89.03915	3.9
89.10798	3.4
91.05479	25.3
93.07040	7.2
98.22790	1.9
101.06030	1.4
102.05544	29.5
103.12352	3.3
105.07025	4.0
107.08601	9.7
109.02879	3.8
109.06503	3.5
111.04428	5.0
113.05993	2.2
117.03392	16.5
117.07044	3.9
119.04956	4.4
119.08572	7.6
119.11750	1.9
121.06506	8.9
121.10152	3.5
122.07154	36.0
131.08582	5.0
133.10107	2.6
135.04433	3.2
135.08058	22.6
137.06029	1.8
137.09589	1.9
143.08578	2.1
144.04761	8.7
144.09331	1.6
145.02844	52.5
145.06514	4.2
145.10123	2.6
147.04410	29.2
147.08051	2.4
148.04886	2.3
148.06032	18.8
149.05978	6.4
149.09607	5.9
153.09081	2.6
158.10957	2.8
159.08087	2.9
159.11687	7.0
161.09750	1.4
163.03925	15.4
163.07527	12.0
163.11189	3.7
172.08713	1.8
173.09645	4.1
173.13249	8.3
177.05470	100.0
178.05742	1.5
183.11690	1.8
186.10396	4.5
187.11147	19.3
191.07045	5.7
201.12766	15.4
205.12195	6.6
218.11818	4.5
219.13794	5.9
220.09621	2.2
229.12210	17.4
247.13135	19.6
248.12767	8.6
265.15607	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05494	0.5
67.05507	0.5
70.34989	0.8
72.08157	2.9
81.04552	1.8
83.36575	0.4
84.08146	3.5
89.03905	0.9
89.10780	0.9
91.05485	4.9
101.10780	1.3
102.09175	4.0
117.03381	2.3
119.04945	18.4
119.10975	0.4
119.11818	6.0
122.06255	0.8
122.07153	14.2
144.04802	3.5
144.70110	0.4
145.02852	7.7
147.04407	100.0
148.04742	3.0
149.05986	0.9
177.03940	0.7
177.05467	11.7
177.06984	0.7
178.05739	0.4
180.54144	0.4
211.63817	0.4
217.00566	0.4
218.11755	20.6
221.01886	0.4
230.11824	3.1
247.14412	26.0
248.12804	0.8
248.14810	0.5
261.95334	0.3
265.00793	0.6
265.15485	14.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
55.05507	0.3
61.00554	0.3
72.08156	7.3
89.03912	3.4
89.10798	4.9
91.05460	0.5
98.06025	0.4
115.08701	2.0
117.03374	14.9
118.03693	0.3
119.04878	0.3
121.06496	0.3
122.07126	1.5
134.03609	0.7
135.04407	0.7
144.04797	0.4
145.02846	52.0
146.03166	1.2
147.04384	0.6
149.05972	5.9
163.03929	0.5
167.83363	0.3
177.05469	100.0
178.05815	1.8
186.05452	0.6
193.97984	0.3
248.12816	7.6
265.15472	21.2
266.15881	0.7
273.34335	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1547
Annotation	Catuabine I
Peak:m/z	Relative Intensity
51.92199	0.3
53.09160	0.4
56.05016	0.5
56.57003	0.4
61.64157	0.4
66.62591	0.4
66.62983	0.4
70.07305	0.8
70.07626	0.5
72.08157	2.5
81.04517	1.0
84.08141	10.4
91.05476	5.7
101.10769	1.6
102.09177	17.6
119.04937	18.5
119.11813	29.0
122.07150	8.5
136.95482	0.4
144.04773	2.6
145.02818	0.9
145.09790	0.5
147.04399	100.0
148.04744	2.5
149.04929	1.5
164.07082	0.6
177.05457	1.6
205.29070	0.4
218.11754	20.8
219.12143	0.6
230.11743	1.6
247.14409	23.9
263.40576	0.4
265.15460	15.1
266.15701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2527
Annotation	Linolenyl alcohol
Peak:m/z	Relative Intensity
53.03933	2.1
55.05257	2.7
55.05512	43.2
57.03429	3.0
57.06854	1.6
57.07079	18.1
59.47963	1.7
67.05505	39.9
69.07069	69.5
71.04982	2.7
71.08638	9.8
71.46822	1.5
71.47224	1.8
73.13269	1.6
79.05494	21.4
81.04539	4.2
81.07059	49.1
83.04998	2.3
83.08622	45.4
85.06537	3.3
85.10165	4.7
91.05475	2.9
92.49491	1.5
93.07041	26.8
95.04958	1.9
95.08607	46.9
97.06531	14.1
97.07400	1.6
97.10176	33.1
99.08079	2.3
100.67006	1.5
106.06535	1.6
107.08602	19.6
109.10160	26.4
111.08066	9.8
111.11729	11.7
113.09707	2.4
121.10149	42.2
122.07155	34.1
123.11729	10.2
125.09622	3.7
125.13239	2.8
135.10747	2.7
135.11696	33.0
137.13208	4.2
139.11182	2.4
144.04784	7.0
145.02861	5.1
147.04407	9.3
149.13271	14.3
151.14813	6.5
155.21696	1.6
163.03961	3.3
163.14818	4.2
165.16444	5.4
177.05460	10.4
177.16412	1.6
191.17941	2.1
194.05725	1.4
222.71500	1.8
241.98476	1.7
247.14723	1.9
247.24226	32.3
265.15488	5.6
265.25284	100.0
266.25647	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	266.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06583	0.2
70.36877	0.3
75.06006	0.2
80.98031	0.1
81.04536	1.1
82.04871	0.5
82.99858	0.3
86.09688	0.6
86.10156	0.2
101.00886	2.9
104.10733	1.3
119.01920	6.9
122.07156	6.2
123.07514	4.7
134.03244	0.7
134.44014	0.2
134.99870	0.5
136.06235	0.4
137.02977	1.2
140.98848	0.3
144.04811	1.6
145.05161	1.0
146.04352	0.2
147.04391	0.3
148.04735	0.3
150.05469	0.5
158.99883	2.1
159.99936	0.2
163.02773	0.2
165.99672	0.3
175.03033	0.3
177.00957	14.4
178.01042	0.8
182.99899	0.5
193.04190	0.2
199.03038	0.4
201.01016	2.2
208.13284	0.4
217.04080	2.2
219.02007	20.5
219.94571	0.2
220.02147	1.4
221.02243	0.2
225.00836	2.4
234.00748	0.2
235.27127	0.2
242.03683	0.3
243.01994	12.5
244.02229	0.9
252.59306	0.2
261.03064	100.0
262.03204	6.7
263.03500	0.4
266.03476	0.4
266.15863	1.1
267.11050	0.4
275.04514	0.2
284.04642	1.6
284.07449	0.5
287.04541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10601	3.3
54.81507	3.4
62.06094	5.5
62.84015	3.8
69.03447	4.8
69.14928	3.3
69.66515	14.0
70.06599	5.1
72.97320	3.4
73.15781	3.9
78.95647	16.8
84.04504	3.6
87.04465	6.2
94.92997	4.8
97.04519	3.7
103.00677	5.0
104.07104	7.4
104.10741	47.6
112.89621	12.6
114.89352	21.1
116.89154	9.3
119.01927	13.0
119.04992	4.8
121.01732	5.8
134.03279	8.3
146.02049	4.8
147.04416	8.5
150.00648	44.9
150.05539	3.9
163.02736	10.8
164.03165	11.0
177.00954	19.0
191.08057	3.9
206.04095	5.0
207.19801	3.9
208.13332	12.5
219.02089	28.7
243.02045	15.9
261.03064	100.0
262.03238	5.5
266.02380	6.9
266.05371	86.5
266.15775	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	266.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96518	0.5
59.04990	1.0
60.04526	12.2
65.03945	1.2
69.23764	1.2
69.24171	1.6
69.57542	0.4
70.02953	4.8
70.06551	0.5
70.96739	0.4
81.04556	0.5
81.39510	0.5
88.03993	60.0
91.05481	87.9
92.05823	1.2
102.05544	100.0
103.05898	0.9
105.07027	0.7
113.02353	0.5
118.04381	0.5
122.07122	2.2
123.07449	1.3
130.04971	1.7
130.11269	0.4
144.04700	0.7
146.05971	2.3
148.06046	65.5
149.06393	0.5
159.08090	0.5
199.69827	0.5
206.08105	3.8
208.13339	0.9
220.09673	8.8
234.07623	1.7
248.09242	3.3
249.11266	2.7
261.03098	0.5
266.10132	2.3
266.13733	0.6
266.17609	0.9
266.21478	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1389
Annotation	Anisomycin
Peak:m/z	Relative Intensity
55.05507	0.3
58.91792	0.2
63.51321	0.2
70.96532	0.4
72.08154	8.1
89.03910	3.9
89.10802	0.3
90.09186	1.2
91.05453	0.4
92.60023	0.2
103.05480	0.3
106.04180	0.3
117.03374	18.5
118.03693	0.9
120.05296	0.2
120.08067	0.3
134.03627	0.9
135.04420	0.6
145.02844	52.5
146.03188	2.7
148.04866	0.2
149.05980	6.8
150.06248	0.2
162.03137	0.2
163.03972	0.6
177.05463	100.0
178.05798	5.9
182.61671	0.2
186.05482	0.5
219.11923	0.2
249.13084	0.5
266.13440	1.8
266.15891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2116
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
53.03942	3.5
55.01866	2.3
55.05505	11.8
56.05031	2.6
57.03425	3.4
58.06574	1.7
59.71694	1.6
65.03927	1.9
67.05507	33.5
69.07061	5.3
70.06601	11.2
70.62096	3.4
71.05003	10.9
72.04525	8.5
73.02882	1.3
74.06067	2.3
75.11159	1.4
77.03909	3.2
79.05499	50.2
81.07061	37.1
82.06580	5.1
83.04977	5.9
83.08628	2.3
84.08150	3.5
85.06568	2.2
86.06087	7.2
91.05481	58.1
93.07049	35.9
94.06557	4.8
95.04961	6.9
95.08617	22.9
96.08121	4.4
97.06527	8.4
98.08482	1.3
98.09678	2.1
100.07616	3.7
105.04489	3.7
105.07031	35.3
107.08605	20.0
108.08126	3.7
109.06543	3.9
109.10150	5.1
110.09675	6.1
111.08081	4.0
112.07645	1.6
115.05435	1.6
117.07018	12.5
119.08585	25.9
120.08109	2.8
121.10152	8.7
122.09650	4.3
123.08056	2.1
123.10461	1.7
124.11248	3.6
126.09130	2.5
128.06288	2.6
129.06992	7.3
131.08556	16.5
133.10130	13.9
134.09636	3.2
135.11726	2.5
136.11249	1.7
137.09592	1.7
140.10670	2.3
143.08578	8.1
145.10164	12.8
147.11687	7.6
148.11238	3.7
150.12766	2.1
157.10147	5.9
159.11707	6.0
161.13293	4.5
162.12831	3.1
171.11629	8.0
173.13281	3.3
175.14742	2.5
185.13225	3.6
187.14812	3.0
201.16423	2.5
213.16399	4.6
214.81261	1.7
218.01778	1.6
218.19070	2.3
230.18993	5.5
231.17416	2.6
236.20116	2.1
248.20125	41.5
249.18347	2.1
254.68625	1.4
266.21130	100.0
267.21402	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	266.2118
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
50.73392	1.3
53.03936	4.0
55.01866	5.8
55.05259	1.9
55.05515	25.7
56.05033	9.1
57.07065	2.7
57.14986	1.3
58.02954	2.0
59.04998	2.0
60.04529	76.0
65.03950	2.8
67.05505	100.0
68.05011	3.9
69.03415	3.0
69.07070	18.1
70.06599	7.0
70.81173	1.9
71.04989	3.2
72.04520	20.8
77.03927	2.5
79.05495	73.5
80.05011	3.4
81.03406	1.9
81.07059	62.6
82.06577	5.2
83.04972	4.9
83.08633	3.9
84.04502	2.1
84.08120	3.5
85.06528	2.1
86.06087	7.8
88.04002	1.4
90.05563	1.3
91.05482	55.2
93.07049	70.9
93.76223	1.5
94.06557	5.1
94.07368	1.3
95.04968	10.0
95.07356	2.3
95.08610	68.9
96.08147	8.7
97.06539	7.9
97.10179	1.4
98.06056	4.0
98.09677	4.9
98.98424	1.4
100.07588	1.9
102.05517	1.6
102.66256	1.3
103.05494	1.5
104.99275	3.2
105.04520	3.5
105.07027	30.4
106.06554	2.6
107.04958	1.6
107.07374	2.2
107.08593	32.6
107.96719	2.6
108.08131	6.3
108.50896	1.4
109.06509	4.5
109.10152	20.3
110.09706	7.5
111.08071	3.4
112.07584	4.8
112.11284	1.3
114.09203	1.8
116.07110	3.3
117.07018	12.3
119.08585	32.4
120.08089	5.3
121.06501	2.1
121.10157	27.5
122.07163	4.0
122.09663	4.4
123.07362	1.7
123.08076	4.3
123.11701	4.9
124.07604	1.7
124.11291	1.9
126.09130	4.9
128.06224	3.4
128.10747	2.5
129.07014	9.9
130.08690	1.4
131.08572	27.6
133.10129	20.6
134.09625	4.5
135.08061	2.3
135.11694	11.9
137.09595	5.3
138.09123	5.1
138.12827	1.3
140.10718	1.7
142.07767	1.9
143.08557	10.3
145.10112	13.4
146.09656	1.9
147.07993	1.1
147.11690	9.1
148.11200	6.4
149.09668	1.4
149.13252	2.8
151.11093	1.8
156.10258	2.2
157.10120	11.5
159.11705	5.8
161.09657	2.6
161.11986	2.4
161.13249	8.2
162.12750	1.5
163.14793	6.3
171.11716	10.8
173.13327	2.1
175.14876	3.9
177.16444	1.9
178.12202	1.8
185.13304	1.7
187.14827	3.7
189.16357	2.5
201.16415	6.2
203.17978	2.4
205.15724	1.6
208.13326	5.1
213.16333	6.3
218.19000	9.6
220.20520	1.6
230.19098	7.6
231.17438	4.7
236.20110	9.1
247.26587	1.4
248.20097	45.6
261.02875	1.8
266.17679	4.1
266.21149	85.7
267.21402	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	266.2116
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
55.01871	1.2
55.05504	2.0
56.05042	7.6
57.03411	0.9
57.17818	0.8
63.63635	0.8
67.05508	6.0
69.07063	1.9
70.06605	4.7
79.05499	10.0
81.04561	1.2
81.07055	11.3
82.47289	1.0
83.07343	1.1
83.08636	1.1
84.08132	4.1
87.04433	1.1
91.05493	11.2
93.07044	10.0
94.06599	1.0
95.04977	1.9
95.08607	11.2
96.08136	4.6
100.97921	0.8
104.99275	2.0
105.07039	8.5
107.08591	12.0
108.08149	1.1
109.10179	4.0
116.98508	0.9
117.07005	2.3
119.08564	4.8
120.08118	1.1
121.10165	4.4
122.07149	5.6
122.07890	0.9
123.07489	3.7
128.06184	1.0
129.07010	1.9
131.08557	3.9
133.10126	6.0
135.11703	1.6
143.08539	1.8
145.10165	1.1
147.11699	7.3
157.10141	0.9
159.11769	1.2
161.13274	2.2
163.14792	1.4
168.06544	1.1
182.04999	5.9
183.57326	0.9
189.16391	19.0
206.19058	10.2
208.13339	3.8
213.98805	0.9
245.98466	1.0
248.09793	1.0
248.20171	2.5
261.03046	1.7
266.10855	4.0
266.21152	100.0
267.21390	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51268	0.4
52.89008	0.6
55.05518	5.2
58.62396	0.5
63.31003	0.5
67.05501	1.1
69.03427	2.6
69.07060	0.8
70.06590	0.9
70.75073	0.4
76.17995	0.6
79.05480	1.0
81.03409	1.0
81.07053	1.6
83.04989	1.0
83.08620	3.5
91.05487	1.1
93.07012	0.5
95.04968	0.7
95.08585	1.5
97.10178	0.8
98.05454	0.5
98.06041	2.2
98.09686	1.1
98.23531	1.0
98.98494	0.8
100.07567	0.5
100.11259	19.5
104.99296	0.6
105.07001	0.9
107.08582	1.7
115.05483	0.8
117.07031	0.6
117.13880	2.1
119.08560	0.7
122.07130	1.3
123.08073	0.8
125.09633	1.6
126.09148	1.2
143.11824	1.0
144.05702	1.1
158.99770	0.6
165.09117	1.2
168.13860	4.6
173.05896	0.6
179.01590	0.6
182.15433	2.8
185.16487	10.9
189.05455	0.7
189.09232	0.7
193.08389	3.4
199.18079	3.1
204.07846	0.5
207.10178	1.9
209.07855	16.2
223.04286	2.2
225.11174	1.4
225.16000	1.3
231.09988	0.8
231.13824	1.4
235.09483	1.2
237.05836	1.0
244.05115	1.9
245.04764	6.7
249.11012	4.8
267.12036	100.0
267.20633	13.7
268.12430	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1229
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
50.77412	1.9
50.77641	2.2
52.05571	2.4
56.38150	1.9
56.83512	2.1
60.04509	3.7
67.05512	2.9
69.07069	4.4
69.69880	6.6
69.70243	3.8
71.63241	2.2
79.05494	2.6
81.07049	2.6
83.04992	2.4
84.24626	1.9
85.25611	2.2
88.03983	18.9
89.04309	5.3
91.05467	24.9
92.05807	20.3
93.07071	3.7
95.08637	2.4
97.06519	2.7
98.98496	4.3
102.05543	28.5
103.05909	11.0
104.99284	2.9
105.07045	5.9
115.05453	3.4
122.07167	6.6
127.51495	2.1
128.06247	7.5
129.06984	13.2
131.08527	11.9
133.06488	3.1
137.06085	4.3
141.06963	3.3
142.07924	2.0
143.08559	2.2
144.05693	4.6
145.06459	3.9
147.04480	3.5
148.06026	16.1
149.06409	11.6
157.06508	6.1
159.08058	17.2
161.05998	5.1
161.09651	2.5
167.07097	2.9
169.07622	4.5
170.07275	4.2
171.08116	3.2
172.05130	2.2
173.05998	3.4
175.03949	2.5
175.07549	5.0
183.06512	3.8
187.07512	15.1
189.09114	5.5
194.05783	2.1
197.04485	8.7
203.07173	2.4
204.07834	8.1
217.08400	2.9
219.10175	5.6
221.09952	2.5
226.51608	2.0
249.11215	100.0
267.15698	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	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03938	8.6
55.01866	7.4
55.05513	40.0
57.03228	3.6
57.03441	41.8
58.89362	3.9
61.29056	4.0
65.82307	5.0
67.05504	85.3
69.07066	19.5
69.54233	9.2
69.54594	8.6
71.04987	9.2
79.05497	76.0
81.03416	53.4
81.07057	76.6
83.04983	58.0
83.08624	18.7
85.06559	6.6
91.04942	6.4
91.05481	100.0
93.07050	48.0
95.04968	37.5
95.08614	33.6
97.02895	6.2
97.06531	9.4
97.10173	4.7
98.98477	8.4
104.99265	17.4
105.07027	56.2
107.04953	24.6
107.08580	12.8
109.06509	13.9
109.10186	6.1
111.08060	4.3
113.56065	3.6
117.07025	5.2
119.08581	42.5
121.10139	11.7
122.07168	9.3
123.08037	4.3
125.09603	6.9
127.07554	6.1
129.07010	17.9
131.08572	26.3
133.10120	51.7
136.06200	5.1
139.92946	3.9
142.07748	5.1
145.10149	7.8
147.08017	6.5
147.11676	35.3
149.09605	9.3
157.10088	29.7
163.11134	6.4
165.12766	5.4
166.16144	3.8
175.11177	25.3
193.12245	22.4
211.62198	4.2
215.27792	4.7
231.13669	4.3
249.14740	8.9
267.15860	62.2
267.21075	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	267.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
56.96574	1.6
69.03410	1.4
70.54449	1.6
70.98116	0.9
71.04990	1.9
81.04546	1.7
84.08154	0.8
85.02897	2.6
89.06044	5.5
91.05479	1.8
93.07054	5.8
95.04951	1.3
97.02879	0.9
97.18324	0.9
98.23363	1.0
98.97587	1.9
98.98482	1.0
103.05486	3.9
112.07611	10.7
116.98631	1.4
119.01952	0.8
120.08109	23.3
121.06509	100.0
122.07165	16.2
123.07527	1.2
130.07643	1.2
130.08640	24.3
136.06178	7.5
138.09138	25.9
145.04976	1.3
146.04356	3.1
147.04445	1.4
150.05508	4.9
152.05687	3.7
155.00117	1.1
169.02730	0.8
173.01152	1.4
178.01062	1.1
180.02954	1.0
220.02177	2.0
221.01698	1.9
222.05727	1.0
244.02151	1.6
249.12411	0.8
250.07172	1.5
261.02942	1.0
262.03220	9.7
263.02902	2.7
267.14063	1.0
277.84537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1956
Annotation	Juvenile hormone III
Peak:m/z	Relative Intensity
55.01874	5.5
55.05515	23.2
57.03443	4.6
57.07068	4.0
65.03951	3.7
67.05157	4.7
67.05508	77.6
69.03423	6.9
69.07068	36.9
70.06570	2.2
71.05001	3.8
77.03896	2.4
79.05497	73.9
81.07062	68.4
83.04980	9.0
83.08611	10.3
85.06539	5.6
91.05486	100.0
91.06059	5.4
93.07049	90.1
94.07396	3.1
95.04964	14.7
95.08605	54.3
97.06533	10.3
97.10174	12.6
98.23535	3.9
98.98479	20.3
99.79728	2.1
104.99271	8.9
105.07034	44.8
107.04971	4.2
107.08595	50.9
109.06529	8.4
109.10172	17.2
111.08071	4.9
111.11700	2.7
115.05438	2.8
117.07026	54.3
119.08582	37.7
121.06496	3.6
121.10140	72.4
122.07167	3.7
123.08091	7.5
123.11743	4.8
129.07010	14.6
131.08572	48.1
133.10120	29.6
135.08055	6.0
135.11699	16.0
137.09645	4.3
139.11168	3.8
140.35101	2.6
143.08588	13.2
145.10158	8.6
147.08073	3.2
147.11707	8.9
149.09634	3.0
151.11188	3.3
153.08994	2.7
157.10155	13.4
160.22406	2.2
161.13179	3.9
171.11658	6.1
173.13310	2.5
175.14824	7.2
189.16367	13.2
199.14827	27.6
207.17499	7.1
217.15901	21.3
235.16936	62.1
253.17935	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	268.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	14.1
69.37365	2.5
70.06574	1.1
81.07055	0.8
83.60622	0.4
95.67525	0.4
98.06045	0.7
104.99265	0.4
107.22553	0.5
108.08142	0.6
110.97575	0.7
135.01239	0.5
136.06175	2.1
137.02737	0.9
137.08324	0.7
151.44901	0.5
153.02211	4.9
155.03748	1.1
159.03375	0.6
165.02216	1.4
171.03302	21.7
172.03653	0.4
173.04909	0.9
179.03792	1.2
181.05315	1.4
181.55487	0.5
183.03316	7.2
185.04749	0.6
189.04356	19.3
191.03841	1.1
197.04871	3.0
199.06400	2.0
201.04355	4.5
201.07988	1.1
207.03354	1.0
207.05374	1.2
209.04854	10.7
209.06860	0.6
212.06006	0.6
215.05945	2.7
217.07529	0.6
225.04294	1.1
226.06592	0.5
227.05910	53.9
228.06285	1.0
238.07535	0.5
245.06973	100.0
246.07240	2.0
250.07541	2.3
263.08029	58.0
264.08282	0.9
265.42938	0.5
268.08566	6.5
268.15472	0.5
268.18811	0.5
269.08920	0.7
269.13641	2.1
281.08905	0.9
286.09604	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
52.81384	0.2
52.98957	0.2
55.01879	0.4
57.03435	0.6
69.03409	0.3
71.01355	0.2
73.02917	0.4
85.02917	0.4
94.04073	0.3
105.19230	0.2
107.98830	0.2
110.79519	0.2
119.03548	0.6
136.06183	100.0
137.04636	0.3
137.06529	0.7
150.72040	0.2
254.40016	0.2
263.02655	0.2
268.10394	7.8
269.10623	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.83273	0.1
55.01866	0.3
57.03433	0.5
62.47515	0.1
64.26042	0.1
64.61430	0.1
64.85084	0.1
65.60709	0.1
67.99243	0.1
69.03425	0.3
69.81351	0.4
73.02921	0.3
78.95631	0.4
79.71924	0.2
85.02911	0.4
87.27007	0.1
94.04063	0.2
94.92998	0.8
97.38521	0.1
112.89603	1.4
119.03549	0.6
136.06187	100.0
137.04588	0.3
137.06631	0.7
152.05685	0.3
164.93542	0.2
192.99934	0.2
194.00165	0.2
228.92818	0.2
231.93796	0.3
268.10410	8.4
268.91995	0.5
268.94696	0.2
269.10867	0.2
278.23788	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	268.1043
Annotation	Adenosine
Peak:m/z	Relative Intensity
56.96566	1.2
69.03446	1.1
71.04999	1.5
71.15321	0.7
73.02918	1.5
85.02938	0.7
86.09692	0.7
89.06051	3.7
91.72742	0.5
97.62766	0.5
98.97616	2.9
99.04444	1.4
101.00883	1.9
103.00641	1.4
103.79749	0.5
110.03530	1.9
110.07201	1.3
116.98622	2.2
117.05468	2.5
119.01926	5.8
120.02029	1.0
121.01665	3.9
122.07170	1.4
123.07476	0.7
127.03934	0.5
128.04576	1.2
133.95483	0.5
134.99698	0.6
135.03023	4.6
136.06187	82.5
137.02991	0.8
137.04649	0.7
137.06667	0.7
139.02762	0.9
143.59102	0.6
145.04921	0.5
147.04419	1.8
148.04753	3.0
150.05492	0.9
151.05847	2.1
152.05676	97.5
153.04106	6.7
153.06155	0.5
156.96649	0.5
160.99678	2.0
169.62547	0.5
178.01115	1.1
179.00693	17.0
180.00789	1.4
180.10217	0.6
184.99786	0.8
195.03859	0.7
203.00760	1.8
219.01982	1.0
219.03975	3.1
220.02115	1.1
221.01773	21.0
222.01828	1.8
227.00586	2.7
244.98180	1.5
245.01767	13.6
245.04880	0.9
250.16338	2.5
257.00519	0.5
262.03156	2.8
263.02863	100.0
264.03030	4.4
268.03448	0.7
268.10342	6.0
268.12741	0.8
286.04410	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	268.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45336	0.5
56.96559	0.6
57.03440	0.9
61.02922	1.6
69.03424	2.3
70.13342	0.8
70.13683	0.4
70.98127	0.7
71.04998	7.6
73.02921	1.7
75.46535	0.4
81.03405	1.4
85.02913	10.7
88.04005	0.4
89.06036	38.9
91.03932	0.6
91.05501	0.4
97.02904	2.9
97.32504	0.4
98.97590	1.5
99.04462	1.4
105.83327	0.4
107.04980	0.9
109.02854	1.4
109.05160	0.6
110.03555	2.5
117.05508	2.1
121.06497	3.5
122.06880	0.6
123.07452	0.5
127.03926	1.8
134.04561	0.9
135.03024	4.8
136.06250	0.8
145.04979	4.4
152.05685	100.0
153.04100	4.2
153.05957	1.5
155.00098	0.6
160.99599	0.4
163.06020	0.9
177.07813	0.5
179.00725	2.2
179.53595	0.4
188.07744	0.4
206.11806	0.8
221.01746	2.4
232.06068	0.4
238.77901	0.4
245.01743	1.9
250.06985	0.6
251.11334	0.6
263.02878	12.4
264.03192	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1546
Annotation	Codonopsine
Peak:m/z	Relative Intensity
50.97012	0.3
56.96541	0.6
58.06582	0.3
67.60420	0.2
69.77001	0.7
69.77366	0.5
69.94592	0.3
70.06567	0.3
74.02433	1.6
84.08150	3.1
88.03997	2.7
89.06006	0.8
91.05436	0.4
98.97559	0.3
100.59399	0.3
107.04264	0.4
107.04961	6.7
110.07155	0.5
116.03439	0.7
121.02853	0.5
123.04446	0.4
128.06204	0.4
131.04958	0.3
131.08557	0.4
134.04489	4.8
136.06212	1.2
137.05959	0.4
143.08554	2.0
147.04419	0.6
148.04727	0.8
149.05930	0.5
159.08008	0.8
160.05215	1.0
160.11234	0.9
161.05966	2.6
162.05521	1.2
164.07089	2.9
170.36697	0.3
171.08109	1.6
174.06752	0.3
176.07129	0.6
177.07848	19.9
177.09001	0.9
178.08278	0.4
188.10666	1.8
189.09126	1.5
204.10258	0.7
206.11768	100.0
207.12105	2.7
214.81187	0.3
250.07118	0.7
250.14406	18.8
251.14650	0.6
268.09811	0.9
268.15448	32.9
269.15723	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2271
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
55.05511	6.8
56.05036	3.8
56.18974	2.2
60.04523	60.0
61.13342	1.9
67.05210	2.7
67.05506	30.9
69.07050	5.6
71.45676	2.6
72.30968	2.0
73.02923	2.3
74.15068	1.8
79.05492	20.6
81.07056	18.9
83.05006	2.0
83.08542	1.9
86.06037	3.3
89.41727	2.3
91.05475	15.7
93.07029	20.2
94.06531	2.3
95.05019	2.3
95.08602	19.6
96.08129	1.9
98.97578	2.2
102.73267	1.9
104.99269	9.8
105.07025	10.2
107.08578	9.9
109.10169	7.7
117.07009	4.9
119.08605	5.4
121.10131	6.4
131.08566	6.6
133.10147	3.8
133.88539	2.0
135.11702	3.3
136.06189	21.7
140.10696	2.4
145.10136	2.6
159.11774	2.6
161.87955	1.9
165.87358	1.8
217.65561	2.0
250.21635	14.6
268.10291	3.3
268.22595	100.0
269.22943	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	268.2271
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
53.03944	1.2
55.05510	8.9
56.05023	2.4
57.03423	3.7
57.03674	0.8
58.85078	0.8
65.03927	1.7
67.05505	30.4
69.07074	4.7
69.37254	2.5
69.37665	1.5
70.06593	22.4
71.04992	4.7
77.03918	1.9
79.05496	34.2
81.07059	28.3
82.06573	2.1
83.04956	4.2
83.08629	2.2
84.08163	4.0
85.06555	1.1
91.05480	34.3
93.07047	27.9
94.06561	1.5
95.04988	4.7
95.08010	1.7
95.08605	22.5
96.08138	3.9
97.06502	1.9
97.08963	0.9
97.10223	1.2
104.96423	0.8
105.04481	2.0
105.07025	21.8
107.08597	14.2
108.08131	1.2
109.06522	2.4
109.10161	7.2
110.09689	4.4
111.08089	1.7
112.11224	1.2
115.05414	1.4
117.07016	8.6
119.08569	14.2
121.10137	5.8
123.08083	1.1
124.11234	4.2
129.07008	0.9
131.08553	8.0
133.10127	9.2
135.11702	4.3
136.06160	3.3
136.11206	1.1
137.09637	1.0
143.08533	1.1
145.10120	5.4
147.11694	5.3
149.13278	2.2
151.11261	1.3
154.12251	1.4
159.11745	4.3
161.13277	1.5
173.13307	1.6
187.04202	0.9
187.14795	1.5
189.16385	1.0
196.65404	0.8
220.20615	2.7
221.32497	0.8
232.20567	1.9
250.21654	44.4
251.79701	0.8
268.22659	100.0
269.23077	2.6
287.79498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.2272
Annotation	Allopumiliotoxin 267A
Peak:m/z	Relative Intensity
52.14356	2.8
53.03931	3.9
55.01869	2.9
55.05516	26.0
56.05046	6.6
57.03447	6.4
58.06612	2.5
61.49277	2.4
65.03949	4.0
67.05160	3.9
67.05508	70.2
69.07065	16.2
69.22755	16.4
70.06596	20.0
71.04996	11.3
72.04522	8.3
73.02964	2.7
74.06082	4.9
79.05500	40.2
80.83827	2.4
81.07058	55.5
81.88754	2.9
82.06581	4.3
83.04971	3.5
83.08636	7.9
84.08156	6.0
85.06564	2.7
86.06073	8.1
86.09692	3.1
91.05495	38.0
93.07052	51.4
94.06582	4.9
95.04980	7.4
95.08615	39.5
96.08138	4.0
97.06537	5.9
98.09704	4.3
98.23448	4.1
99.08062	2.6
104.99268	8.1
105.07029	25.2
107.08601	28.4
108.08116	4.3
109.10143	13.8
110.09708	5.0
111.08092	3.8
112.11250	4.7
114.09168	10.3
117.07034	9.9
119.08570	18.2
121.10158	19.5
122.09693	5.2
123.11729	4.9
125.09599	2.4
131.08560	19.3
133.10133	15.8
134.09663	4.1
135.08151	3.0
135.11650	12.4
136.06190	29.2
138.12799	3.7
145.10112	16.2
147.11716	8.2
148.11189	5.6
149.12077	3.4
149.13283	6.5
156.13887	3.6
159.11711	10.4
161.13306	7.1
168.13878	2.8
173.13246	5.5
175.14932	6.0
182.15581	3.7
215.17932	14.6
232.20641	32.4
233.18915	5.0
244.98163	3.0
250.21681	97.8
268.22748	100.0
269.22760	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	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94002	0.6
62.92807	0.5
71.06046	0.9
71.06389	0.5
71.30756	0.5
72.08172	0.6
78.95633	2.0
94.93008	6.4
96.92222	0.9
104.10682	0.6
108.69615	0.6
112.89603	100.0
114.89324	2.0
116.89147	0.7
134.96092	5.5
136.06180	11.4
136.94014	0.6
137.06505	2.0
138.05507	2.0
139.05806	0.6
142.38499	0.6
152.39250	0.9
164.93510	8.4
178.95050	4.1
188.93530	2.2
189.48753	0.7
192.99847	4.3
194.94629	1.4
194.99657	1.0
206.94470	0.9
208.97255	1.5
222.94125	0.6
228.92694	1.0
232.90131	3.1
232.92288	2.6
250.93597	2.5
262.82834	0.6
268.92050	2.1
268.94595	23.6
269.10883	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9462
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49503	2.3
58.08616	2.7
74.46856	2.6
75.64491	2.7
94.93018	11.3
100.71221	2.4
109.25639	2.5
112.89610	100.0
114.89366	4.8
123.09456	2.7
134.96089	17.5
136.03207	2.7
136.06171	28.7
138.05537	2.8
149.82753	3.1
162.95668	3.0
164.93536	35.2
178.95131	12.5
188.93549	9.6
192.99887	5.3
206.94695	4.4
250.93462	8.4
268.94608	79.7
271.81448	3.1
281.33984	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	269.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
55.05511	0.9
57.24880	0.7
66.19758	0.6
67.05500	1.0
69.07076	1.0
69.46707	2.8
77.79501	0.7
79.05486	2.0
81.07052	1.8
89.03923	2.1
91.05473	5.4
93.07032	3.7
95.04956	2.2
95.08603	1.2
103.05464	8.0
104.99265	6.6
105.03350	0.8
105.04488	1.0
105.07023	1.0
107.04944	3.7
117.03365	2.0
119.04903	1.8
119.08557	1.0
121.06511	16.2
131.04933	13.3
133.10188	0.9
134.03609	2.2
135.04407	1.5
137.05992	2.6
140.04691	1.2
145.02853	3.0
147.04382	2.1
148.05219	0.8
149.05983	20.5
155.07056	1.1
159.04425	10.1
159.11696	1.0
163.03882	2.0
163.07607	1.2
165.12799	1.0
167.07042	30.8
176.04755	1.3
177.05470	100.0
178.05861	1.5
186.99576	2.0
191.07045	3.8
193.04796	1.0
194.05673	2.0
197.08109	1.6
208.07277	1.7
209.08087	28.6
210.08397	0.8
213.16353	0.9
223.09660	3.4
227.09117	9.1
251.09109	1.4
269.22488	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45964	0.6
67.05499	0.7
69.94572	1.1
69.94958	0.9
79.63263	0.4
81.07055	0.7
104.99265	2.2
186.99530	0.7
206.11571	0.5
269.13589	100.0
270.13916	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	269.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.5
56.42562	0.5
60.51670	0.5
70.14169	1.2
70.14507	0.7
80.18533	0.5
81.07035	0.6
83.67394	0.5
86.48782	0.5
104.99279	1.3
105.07042	0.6
186.99606	0.6
269.13599	100.0
270.13965	2.8
271.85428	0.5
282.55655	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
51.02351	1.7
53.03941	2.3
53.58539	1.6
55.01861	3.9
55.05513	25.6
57.03187	2.4
57.03440	35.1
57.07052	4.4
65.03947	2.8
67.05505	86.4
69.03428	1.9
69.07073	31.5
70.15707	5.4
71.05003	10.7
79.05494	42.5
81.07058	100.0
82.21163	1.9
83.04995	13.2
83.08625	20.1
85.06539	4.2
91.05482	29.3
93.07045	72.8
95.04970	9.6
95.08610	31.7
97.06532	18.4
97.10172	2.5
99.08077	7.5
104.11796	1.8
104.98615	2.3
104.99276	38.9
105.04472	3.0
105.07014	15.2
107.08594	34.6
109.06515	4.6
109.10129	8.7
110.94550	1.8
111.08044	7.7
113.05981	2.5
115.23626	2.1
117.07016	13.7
119.08556	4.0
121.10136	14.6
123.08057	2.0
123.11700	5.8
129.92815	1.9
131.08588	13.3
133.10136	15.6
135.07948	2.8
135.11665	9.9
139.07516	2.1
139.24095	2.1
147.11627	4.4
149.12122	2.5
149.13263	40.4
159.11691	32.8
161.13231	5.4
177.08781	2.0
177.12733	15.0
179.14267	2.9
186.99541	9.4
195.13799	14.9
198.92021	1.9
209.11722	3.7
213.14764	2.7
215.17961	2.0
231.49529	2.1
237.11270	2.7
251.19992	6.9
269.17392	81.1
270.17728	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03936	2.3
55.01865	3.8
55.05262	1.1
55.05511	19.3
57.03437	27.2
57.07067	3.0
59.04963	1.1
65.03924	2.5
67.05504	81.5
68.05809	0.9
69.06710	2.0
69.07070	26.0
71.04992	6.6
71.08649	2.2
71.46523	1.2
77.03891	1.8
79.05496	48.4
81.03432	1.1
81.07058	100.0
82.07355	1.5
83.04989	9.5
83.08186	1.6
83.08623	19.8
85.02884	1.2
85.06544	6.1
85.29367	1.0
91.05475	36.4
93.07044	78.3
94.07367	1.3
95.04974	10.8
95.08603	28.9
97.06530	17.4
97.10183	2.0
99.08103	5.7
103.03904	1.4
104.99268	21.2
105.04498	2.7
105.07027	15.1
107.08591	33.7
109.06490	3.9
109.10130	7.4
111.08089	7.5
111.11649	1.2
117.06273	1.5
117.07021	15.9
119.08601	4.9
121.06475	1.2
121.10135	14.6
123.08060	1.2
123.11672	6.2
125.09610	1.5
129.07010	2.0
131.08572	19.6
133.10121	24.4
134.10469	1.1
135.08032	2.8
135.10751	1.4
135.11702	14.8
139.11188	1.9
143.08527	1.9
145.10150	1.3
147.11673	3.0
149.09554	1.5
149.12100	2.4
149.13255	40.4
151.11179	3.3
157.10146	3.7
159.11682	39.9
160.12027	1.2
161.13268	4.6
166.07719	1.3
167.14305	1.5
171.11667	1.4
173.13332	2.3
177.12741	22.0
179.14304	3.5
181.10133	1.4
185.13139	1.1
186.99464	5.0
195.13814	19.5
199.14822	1.7
209.09851	1.4
213.14713	1.7
213.16461	1.8
251.16389	2.1
269.17450	86.3
269.22565	7.6
270.17737	1.2
288.84769	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03947	3.1
55.01869	3.1
55.05259	1.6
55.05510	21.1
57.03438	35.5
57.07067	5.5
59.05497	1.3
65.03947	3.3
67.05506	82.0
68.05858	1.7
69.03426	1.3
69.07069	31.6
69.80434	3.3
70.41011	1.4
71.04981	5.1
71.08609	1.7
79.05042	2.6
79.05492	44.2
80.94790	1.3
81.03418	2.3
81.07059	100.0
82.07386	2.0
83.04984	9.6
83.08622	18.3
85.06525	6.4
91.05484	26.8
93.07048	68.3
94.07349	1.5
95.04955	7.9
95.08607	29.0
97.06526	17.9
97.10152	2.3
98.22719	1.4
99.08064	4.3
104.99275	24.8
105.04497	3.0
105.07024	10.8
107.08589	40.0
109.06504	2.2
109.10180	6.3
111.08108	7.5
117.07011	14.2
119.08573	3.6
121.06493	1.8
121.10151	16.6
123.11730	5.0
127.07492	1.6
129.25645	1.4
131.08589	13.8
133.10127	16.4
135.08080	2.8
135.11694	13.6
139.11163	2.6
149.13258	41.9
151.11180	1.7
157.10208	1.7
159.11688	24.2
161.13284	2.9
167.14307	1.3
177.12737	15.5
179.14299	3.1
181.54282	1.4
186.98120	1.3
186.99484	6.4
195.13809	16.9
213.14836	2.2
269.17453	73.4
270.17786	2.7
288.63809	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03942	2.9
55.01868	3.4
55.05512	19.3
57.03440	33.0
57.07064	3.3
67.05508	76.0
69.03425	1.1
69.06712	1.7
69.07067	25.5
71.04986	6.7
71.08622	2.2
77.03912	1.5
79.05502	42.9
81.03406	1.2
81.07060	100.0
83.04977	12.8
83.08622	18.0
85.02895	1.1
85.06532	6.2
91.05485	25.8
93.07050	69.3
95.04977	8.6
95.08611	22.4
97.05971	1.5
97.06538	17.2
97.10178	1.3
99.08073	5.9
104.99271	25.8
105.04520	2.1
105.07027	10.4
107.08598	38.0
109.06501	3.4
109.10165	5.7
111.08090	9.1
113.06018	1.5
113.09685	1.2
117.07027	13.6
119.08617	2.8
121.06486	2.2
121.10148	19.6
123.11690	1.9
124.47491	1.1
131.08582	11.5
133.10129	13.3
135.08037	2.2
135.10773	1.5
135.11700	15.0
139.07501	1.4
139.11124	1.9
145.10120	1.3
147.11613	1.7
149.09622	2.2
149.13260	49.5
151.11252	1.2
159.10406	1.3
159.11713	24.6
177.12753	15.6
179.14365	1.2
186.99632	5.7
195.13811	16.8
251.20068	1.5
269.17474	77.4
270.17844	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1751
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.03183	1.1
53.03948	2.9
55.01870	3.5
55.05511	21.2
57.03441	37.0
57.07068	4.7
65.03944	2.3
67.05507	79.3
69.07073	25.4
69.69971	2.1
69.70322	2.9
71.04987	5.9
71.08643	2.0
73.02922	1.3
76.26688	1.4
77.03918	1.1
79.05498	47.8
79.82315	1.1
81.03429	2.7
81.07059	100.0
83.04989	17.3
83.08623	17.3
85.06550	5.8
86.45594	1.0
91.05481	26.4
93.07047	72.9
95.04981	8.3
95.08616	25.4
95.62804	1.1
97.06544	14.9
97.10161	2.6
99.08099	3.6
104.99277	17.6
105.04508	1.6
105.07038	10.2
107.08598	33.7
109.06529	3.7
109.10165	4.2
111.08090	9.5
112.87177	1.0
113.05980	1.3
113.09631	1.7
115.05416	1.3
115.42728	1.0
117.07022	11.1
117.38196	1.1
119.08589	2.5
121.06512	2.5
121.10154	20.6
123.08064	1.2
123.11697	3.1
131.08571	12.2
133.10112	11.6
135.08067	3.2
135.11696	11.5
139.11194	2.8
146.21114	0.9
147.11717	2.0
149.13257	44.5
159.11700	19.2
167.70857	1.0
175.20433	1.0
177.12770	9.8
186.99547	2.5
195.13812	15.0
217.89301	1.1
269.17487	71.6
270.17749	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	269.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	1.7
53.03941	2.3
53.58539	1.6
55.01861	3.9
55.05513	25.6
57.03187	2.4
57.03440	35.1
57.07052	4.4
65.03947	2.8
67.05505	86.4
69.03428	1.9
69.07073	31.5
70.15707	5.4
71.05003	10.7
79.05494	42.5
81.07058	100.0
82.21163	1.9
83.04995	13.2
83.08625	20.1
85.06539	4.2
91.05482	29.3
93.07045	72.8
95.04970	9.6
95.08610	31.7
97.06532	18.4
97.10172	2.5
99.08077	7.5
104.11796	1.8
104.98615	2.3
104.99276	38.9
105.04472	3.0
105.07014	15.2
107.08594	34.6
109.06515	4.6
109.10129	8.7
110.94550	1.8
111.08044	7.7
113.05981	2.5
115.23626	2.1
117.07016	13.7
119.08556	4.0
121.10136	14.6
123.08057	2.0
123.11700	5.8
129.92815	1.9
131.08588	13.3
133.10136	15.6
135.07948	2.8
135.11665	9.9
139.07516	2.1
139.24095	2.1
147.11627	4.4
149.12122	2.5
149.13263	40.4
159.11691	32.8
161.13231	5.4
177.08781	2.0
177.12733	15.0
179.14267	2.9
186.99541	9.4
195.13799	14.9
198.92021	1.9
209.11722	3.7
213.14764	2.7
215.17961	2.0
231.49529	2.1
237.11270	2.7
251.19992	6.9
269.17392	81.1
270.17728	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	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03935	3.1
55.01865	3.1
55.05515	16.5
56.96545	1.0
57.03439	28.4
57.07077	4.3
60.50649	0.8
64.08418	0.8
64.19801	0.7
65.03917	2.1
67.05505	84.5
68.05821	1.2
69.03416	1.2
69.07071	30.1
69.46901	4.3
70.18072	0.8
71.05003	6.7
76.36022	0.9
77.03911	1.7
79.05494	46.3
81.03412	2.1
81.07058	100.0
82.07406	0.9
83.04977	8.8
83.08624	22.0
85.06551	5.7
91.04943	1.7
91.05486	25.1
93.07045	71.4
94.07372	0.9
95.04969	8.8
95.08605	27.3
97.06537	15.6
97.10153	3.0
99.04465	1.4
99.08104	4.6
104.99274	14.2
105.04538	1.9
105.07037	11.2
107.08598	35.9
109.06535	2.4
109.10191	4.2
111.08092	10.7
117.07019	13.5
118.86821	0.9
119.06103	1.0
119.08585	3.9
121.06509	1.6
121.10144	19.4
123.08092	2.5
123.11700	4.8
126.87006	0.9
127.07510	1.1
131.08577	14.4
133.10138	15.7
135.08034	1.7
135.11699	13.8
139.11180	2.8
147.11673	1.5
149.09692	1.4
149.13258	48.2
151.11169	1.8
157.10146	1.8
159.11694	28.5
161.13213	3.0
167.14259	1.8
177.12746	18.8
179.14314	3.0
186.99521	2.2
195.13794	13.7
195.27785	0.9
203.36093	0.9
213.14877	1.6
238.05739	0.9
269.13046	2.0
269.17490	75.0
270.17871	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03939	2.8
55.01878	3.4
55.05513	22.4
57.03180	2.5
57.03440	32.8
57.07080	3.0
65.03943	1.8
67.05508	81.3
69.07076	25.1
70.18943	3.0
71.05010	7.8
73.06550	1.4
77.03918	1.9
79.05496	44.5
81.03410	2.9
81.07059	100.0
82.07365	1.7
83.04999	11.8
83.08620	18.7
85.06535	5.5
90.84868	1.3
91.05487	28.3
93.07050	69.1
95.04970	8.8
95.08607	24.2
97.06543	17.4
99.08076	5.2
104.99285	5.2
105.04512	1.9
105.07029	12.4
107.08598	33.8
109.06515	5.1
109.10156	4.3
111.08073	10.6
111.11750	1.9
117.07005	17.1
119.08619	3.9
121.10156	16.0
123.11707	3.7
125.09576	1.5
131.08583	15.0
133.10124	18.9
135.08061	1.8
135.11687	11.9
139.06537	1.4
139.11139	1.8
149.09694	2.4
149.13252	40.7
151.11147	2.4
159.11705	34.2
168.31331	1.4
177.12755	17.6
179.14293	1.8
186.99637	2.0
195.13811	17.5
213.14792	1.8
213.75905	1.4
251.16446	2.3
269.17484	89.5
270.17700	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03938	3.2
55.01857	3.8
55.05510	22.4
57.03180	2.3
57.03437	31.1
57.07057	3.9
65.03912	2.0
67.05504	81.6
69.07066	28.7
69.79676	1.3
70.19057	3.0
71.04981	4.2
77.03908	2.7
79.05045	2.5
79.05493	51.5
81.03395	3.2
81.07057	100.0
83.04982	11.5
83.08614	18.7
85.06546	6.5
91.04941	2.1
91.05476	30.6
93.07042	77.5
95.04968	9.0
95.08609	24.6
97.06532	17.9
97.10159	2.3
99.08084	6.2
104.99268	4.8
105.04513	3.3
105.07043	10.5
107.08591	30.3
109.06518	3.9
109.10132	3.6
111.08109	7.4
113.09711	1.9
117.07008	15.2
119.08600	3.2
121.06536	1.8
121.10145	18.4
123.11691	5.4
131.08572	16.1
133.10121	14.1
135.08055	2.1
135.11691	16.0
147.11691	1.5
149.09645	4.0
149.13252	43.8
151.11221	1.3
158.72110	1.3
159.11679	31.0
161.13264	3.4
167.14450	1.8
177.12744	18.1
179.14288	2.3
195.13824	17.3
213.14944	2.1
269.17480	77.6
281.72461	1.4
286.43851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.175
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.01860	0.8
52.82551	0.8
53.03941	2.7
55.01865	3.2
55.05516	19.4
57.03437	34.3
57.07064	3.8
57.46157	1.1
65.03938	1.7
67.05505	79.6
69.03419	1.0
69.06709	1.7
69.07071	29.8
69.11071	4.7
71.04993	7.1
77.03926	0.9
79.05492	47.5
81.03419	1.4
81.07058	100.0
83.04977	11.8
83.08135	1.1
83.08622	18.3
85.02906	1.1
85.06532	6.6
91.05482	26.0
91.77939	0.8
93.07047	68.8
94.07367	0.9
94.60982	0.8
95.04953	6.0
95.08605	24.0
97.06535	15.9
97.10170	2.2
99.08102	5.5
101.40543	1.0
104.99277	14.4
105.04526	2.1
105.07034	9.8
107.04950	1.5
107.08595	34.6
109.06519	4.9
109.10160	5.8
111.08090	9.6
113.06004	1.4
117.07015	12.4
119.08575	3.3
121.06498	1.4
121.10151	16.7
123.08066	1.6
123.11702	5.6
131.08568	15.9
133.10129	14.8
133.11049	1.7
135.08017	2.4
135.11708	10.4
139.07533	1.1
139.11249	1.6
145.10025	1.3
147.11729	2.3
149.09650	2.0
149.13254	45.5
151.11177	1.8
159.11700	25.4
160.12086	1.1
160.99065	0.9
161.13245	1.9
167.14325	1.9
177.12752	17.0
177.14157	1.8
179.14352	3.5
186.99580	4.1
195.13821	14.4
213.14809	1.4
251.16605	2.4
269.17487	83.6
270.17841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03943	1.8
55.01863	3.6
55.05268	1.5
55.05513	22.2
57.03181	2.2
57.03440	29.0
57.07066	3.8
58.53478	1.4
59.04993	1.2
65.03934	2.8
67.05509	79.3
69.07069	27.0
69.87166	2.5
69.87535	3.9
71.05003	6.9
75.67788	1.2
79.05500	45.7
81.03405	1.6
81.07063	100.0
83.05012	8.6
83.08630	19.4
85.06541	5.7
90.07929	1.2
91.04945	1.9
91.05489	24.7
93.07050	63.9
95.04968	6.2
95.08611	28.7
97.06535	17.3
97.10170	3.3
99.08095	6.1
104.99271	13.1
105.04514	1.8
105.07032	12.2
107.08600	31.4
107.69530	1.2
109.06517	2.4
109.10195	6.3
111.08102	10.0
116.06274	1.2
117.07039	14.1
119.08540	4.6
121.06537	2.2
121.10152	18.8
121.62215	1.3
123.11699	3.8
131.08595	14.3
133.10130	13.0
135.08018	1.5
135.11694	11.7
139.11174	2.5
149.13260	47.1
150.13614	1.9
151.11208	1.7
159.11711	29.2
161.13177	2.3
174.90479	1.3
177.12762	20.1
179.14333	2.1
186.99609	2.9
195.13806	15.8
213.14914	2.7
269.17490	88.7
270.17908	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	270.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40280	1.5
56.74645	1.6
59.01396	3.2
59.05001	13.4
60.10421	1.7
62.27856	1.9
70.95184	3.3
71.01320	1.8
73.06541	8.7
75.04478	8.8
76.28893	1.8
77.48821	1.6
85.02899	4.2
87.04462	25.3
88.57981	1.6
89.06024	4.2
103.03955	10.1
127.67568	1.8
131.03398	14.6
136.06175	5.0
160.04137	1.8
161.04456	27.6
173.15533	1.9
215.89319	1.9
217.03438	100.0
235.04468	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	270.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29351	0.6
55.01877	2.8
55.05505	1.3
56.96564	4.3
57.03440	4.6
58.85503	0.6
59.05017	0.7
61.02933	4.3
69.03432	7.0
70.06584	1.6
71.01340	1.0
71.05004	1.1
73.02913	2.8
73.06550	1.3
76.11440	0.5
81.03423	2.3
84.08131	0.6
85.02911	37.6
86.09695	3.5
87.04464	1.7
89.05991	0.6
91.03962	27.2
91.07597	1.1
93.07030	0.6
96.04507	0.8
97.02895	8.1
98.97585	8.5
99.04475	1.3
101.00891	1.4
103.03965	0.6
107.04989	0.8
109.02903	2.3
113.96397	0.7
115.03947	1.7
116.98629	4.5
119.01942	3.2
121.06513	9.8
127.03907	9.3
128.98586	0.6
131.01921	0.6
131.97342	0.6
133.03453	0.8
133.04994	2.8
134.99670	2.1
138.05510	100.0
139.05862	1.3
143.27859	0.5
145.04967	20.4
155.08253	0.8
156.97583	0.7
160.06473	1.2
163.06044	5.5
168.21944	0.6
177.00986	0.8
180.73724	0.6
187.00912	0.8
188.05954	1.3
203.02512	1.0
206.07011	1.0
208.10217	0.9
217.03421	2.0
224.05360	1.0
224.08040	1.0
229.00369	0.8
230.07039	3.3
230.09113	0.7
242.06606	0.8
247.01416	3.3
247.09709	0.8
248.08020	6.1
252.04875	1.1
252.12317	3.7
265.02527	3.1
270.05838	4.0
270.08047	0.5
270.13306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24321	0.8
51.69976	0.8
52.52894	0.8
55.01868	1.2
55.05507	1.0
55.58965	0.9
57.32860	1.1
60.32044	0.7
61.01152	3.2
64.68275	0.9
67.05501	1.6
68.05022	1.5
69.03426	0.8
69.07069	1.7
69.98752	1.5
69.99111	2.1
70.06585	1.4
71.04991	5.6
73.71125	0.9
75.02650	0.9
77.09975	0.8
79.05495	4.6
81.07053	23.3
87.02692	5.2
91.05478	1.0
93.07105	1.0
94.06583	1.4
95.07372	1.9
96.08134	2.6
98.06038	1.0
100.54951	0.8
102.03737	1.1
104.07492	0.9
105.06956	0.9
109.05264	11.4
120.04475	1.5
122.06022	4.6
124.07610	1.2
129.07373	4.6
133.10110	1.0
136.07576	100.0
137.08366	46.2
137.09447	1.8
140.05305	3.7
140.07080	2.5
150.09119	1.3
150.12810	2.4
168.04823	2.7
172.07918	1.4
174.59364	0.9
183.07129	48.1
184.07750	2.3
204.13831	2.2
205.14575	2.1
224.14685	1.2
238.09991	1.1
252.14169	81.5
253.14705	2.2
269.98071	0.9
270.12616	2.2
270.15237	3.4
270.27908	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19218	2.4
55.01862	4.9
55.05509	4.8
56.96566	4.8
57.03431	6.4
59.05005	2.9
61.02920	7.7
69.03432	15.1
69.03745	2.6
69.93001	5.7
70.06586	6.6
73.02931	5.0
73.06564	33.7
80.12906	2.6
81.03400	5.0
81.90098	2.1
84.08138	3.5
85.02402	5.0
85.02907	100.0
86.09724	3.0
87.04467	6.6
88.46317	2.4
89.06042	3.6
91.03947	9.7
91.05499	2.8
93.07036	3.5
97.02898	18.1
99.04481	4.3
103.03937	2.9
103.05496	2.9
109.02864	6.9
115.03898	2.6
116.98613	3.0
119.01942	5.2
121.06509	27.4
127.03925	27.0
128.72255	2.4
128.98619	2.9
132.06516	4.2
138.05507	25.4
140.68961	2.5
141.12042	2.6
145.04955	43.3
152.05675	4.4
152.06914	2.7
161.04446	4.9
163.06023	15.7
172.95238	2.9
177.00989	9.5
181.00468	2.5
194.09242	2.8
203.02560	4.0
217.03389	11.9
217.10742	2.7
219.01888	4.2
223.01544	3.2
229.96025	4.2
235.04489	5.2
247.01418	26.8
252.12347	18.1
253.12781	3.3
265.02649	20.1
270.10272	3.0
270.13309	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	270.243
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95834	0.7
53.03933	0.7
55.01869	1.3
55.05511	13.0
56.05029	2.1
57.03432	2.6
57.07071	2.4
58.06594	1.7
60.04522	1.1
65.03941	1.4
67.05160	1.4
67.05505	24.0
69.06710	0.9
69.07067	10.9
70.06594	9.0
70.36797	1.2
70.37130	0.8
71.04985	3.1
71.08627	0.9
72.04514	7.3
74.06070	1.5
79.05498	11.9
81.07054	26.1
81.85531	0.7
82.06575	3.1
83.04976	5.9
83.08624	7.0
84.08126	3.2
85.06545	3.1
86.06059	3.8
91.05463	4.4
93.07044	13.2
94.06598	1.1
95.08017	1.7
95.08607	25.5
96.08122	3.9
97.06518	3.1
97.10173	1.6
98.09695	1.5
100.07629	1.5
105.07039	6.3
107.08595	7.0
108.08132	0.7
109.06491	0.8
109.10165	8.7
110.09682	2.8
111.08075	1.8
112.11255	2.3
117.88273	0.8
119.08574	4.2
121.10152	7.6
122.09633	1.2
123.11740	3.9
124.11243	1.4
125.09615	0.8
133.10110	3.6
135.11687	6.8
137.85751	0.7
147.11705	2.6
149.13283	1.5
158.15387	2.3
161.13257	2.1
163.14876	1.4
197.13637	1.0
217.19577	2.2
234.22160	3.2
235.20566	3.1
251.69066	0.8
252.23224	45.2
253.21584	2.6
270.24295	100.0
271.24640	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	270.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
53.61454	1.1
55.01863	4.5
55.05259	1.7
55.05513	24.6
56.05040	6.8
57.07076	13.6
58.02954	1.6
58.06596	1.4
60.04528	56.8
67.05505	40.0
69.07070	35.4
69.07448	2.2
70.02950	2.8
70.06584	3.6
70.29803	1.0
71.01379	1.2
71.04980	4.9
71.08632	6.1
71.46262	1.2
72.04516	27.9
74.06067	1.2
78.75621	1.0
79.05054	1.6
79.05494	18.2
80.05019	1.2
81.03381	1.3
81.07058	40.6
82.06576	5.3
83.04982	4.9
83.08617	20.4
84.04502	2.8
84.08138	2.5
85.06536	1.1
85.10175	2.5
86.06078	3.6
88.03976	3.4
88.07626	3.1
91.05480	12.3
93.07043	19.3
94.06561	4.5
95.04996	3.7
95.07359	4.1
95.08609	34.2
96.08134	9.0
96.08704	1.6
97.06527	12.5
97.10172	11.2
98.06055	2.7
98.09676	1.7
98.97574	1.9
99.08035	1.5
102.05531	1.2
105.07019	6.3
107.08592	10.1
108.08153	1.5
109.06513	2.3
109.08967	1.2
109.10149	14.8
110.09686	2.8
111.08086	3.1
111.11729	3.7
112.07600	3.5
114.09151	1.1
116.07116	3.2
119.08591	7.6
120.45702	1.0
121.10148	12.1
122.09660	3.7
123.08047	2.0
123.11712	6.4
125.09653	1.4
127.11191	1.2
128.10704	2.0
132.70561	1.1
133.10153	6.3
135.11676	7.1
137.09590	1.4
137.13271	2.3
141.12782	2.3
142.15924	4.4
147.11697	2.7
149.13237	1.9
150.35471	1.1
155.14258	1.6
156.17520	1.0
161.13300	1.6
163.58995	1.1
170.54242	1.1
191.17960	5.5
205.19604	1.4
206.18951	1.2
209.18971	8.9
210.22163	2.6
213.87477	1.0
217.19559	4.7
222.22194	16.2
223.20657	3.3
224.23788	4.1
229.23610	1.7
234.22151	14.2
235.20572	4.0
240.23215	27.6
252.23222	46.8
253.21582	1.9
270.24310	100.0
270.27365	3.2
271.24496	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	5,7,3'-Trihydroxyisoflavone
Peak:m/z	Relative Intensity
63.49472	0.7
68.99792	34.8
71.60597	0.8
84.08116	0.8
103.05454	0.8
107.04948	1.6
110.07166	1.0
111.00801	3.9
115.05437	0.8
117.07014	1.0
129.06993	4.1
131.04921	2.9
139.05479	0.8
141.06989	5.3
145.06546	1.5
155.04936	10.6
155.06128	1.4
157.06496	7.1
159.04384	4.1
161.05940	1.5
167.01622	1.2
169.06488	6.7
173.05974	23.8
175.07561	1.7
177.05556	1.1
181.06505	1.2
182.03966	6.8
183.04411	16.0
185.06004	7.9
187.03793	8.2
187.05380	1.2
187.07487	1.5
197.05968	19.7
200.04626	1.3
201.05466	24.0
203.07007	13.2
211.03877	2.5
215.07036	8.0
225.05461	11.8
226.05859	1.2
229.04959	33.7
230.05385	1.4
243.06517	14.1
243.08791	1.4
253.04950	9.5
271.06006	100.0
272.06348	3.6
272.09082	0.9
272.12756	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	29.7
68.99792	1.3
69.34420	5.3
70.06606	2.4
72.08149	2.0
72.96021	1.7
85.24435	1.3
86.09720	13.8
98.97588	100.0
101.00932	2.0
110.06049	4.5
115.91007	1.4
116.98631	47.5
119.01945	2.2
121.06535	1.9
126.02362	1.8
133.03529	2.1
134.01299	1.8
134.06055	1.7
134.99654	14.3
138.05504	12.3
139.05884	15.4
140.03857	3.2
142.05428	3.5
144.03340	1.6
158.04919	3.3
160.06502	4.6
170.04840	2.0
171.03302	3.2
177.00839	2.1
178.07507	2.6
188.05986	3.6
189.04343	14.1
197.07553	1.9
206.06976	10.5
207.05373	4.1
212.05980	1.8
224.08005	8.3
230.07011	38.6
244.10458	2.3
248.01660	4.8
248.08087	70.9
251.77724	1.7
259.06537	1.6
266.09109	4.7
271.05920	4.8
290.10669	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	29.5
55.51306	16.4
68.99802	24.9
70.06589	25.0
71.45753	16.3
79.04424	15.6
86.09691	24.5
87.25871	14.7
91.05482	23.9
95.08601	20.9
98.97576	21.0
107.04951	55.4
116.98670	21.4
117.07008	51.7
128.06183	26.0
129.06964	23.2
135.08041	27.5
138.45204	20.3
145.06477	83.5
149.05928	22.7
151.07607	26.0
159.08076	28.9
163.07532	47.3
173.06032	23.1
175.07532	100.0
182.04526	25.5
187.07547	33.6
193.23244	16.8
199.07568	20.0
217.08667	70.8
235.09927	18.5
271.06143	79.3
271.08582	18.6
271.11563	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	271.1443
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
53.10213	0.4
55.05506	0.5
56.05045	0.9
57.07074	0.7
57.30143	0.4
58.06592	1.1
67.05489	1.2
69.07063	0.9
69.87526	1.3
69.87871	0.5
79.05488	1.4
80.04993	0.6
81.05806	1.2
81.07068	0.6
91.05476	1.3
93.05761	0.9
94.06569	1.8
95.08627	0.7
96.08135	3.4
96.40989	0.4
98.22746	0.9
100.07625	1.0
104.07120	0.8
105.07033	0.5
106.06573	2.7
107.07293	0.5
107.08689	0.5
108.08121	12.9
109.08899	0.6
119.08578	0.5
120.08104	0.9
122.09654	1.7
124.07626	0.6
129.06935	1.0
133.10133	0.6
134.06029	2.4
136.07584	1.7
142.07747	1.0
144.08092	1.5
145.08839	0.6
146.09602	0.9
148.07588	1.1
153.07071	0.9
154.06567	0.8
155.07291	0.6
155.08607	0.6
156.08095	1.1
157.06578	0.5
157.10133	1.7
158.09615	0.9
159.08037	1.1
159.09195	0.8
166.07751	0.9
168.08076	3.6
168.09276	0.7
169.08875	4.4
170.09682	1.0
172.07584	2.0
172.11221	0.6
174.09161	2.1
180.08060	0.6
181.10162	1.8
182.09654	2.0
183.10410	7.0
183.11728	0.8
184.07600	1.2
184.11124	0.6
184.90453	0.6
185.10709	1.7
186.09119	1.3
186.11507	2.2
193.08864	0.8
195.09236	0.6
196.07600	5.3
196.09377	0.8
197.08365	13.4
198.09230	2.3
198.12801	7.5
199.08667	10.5
199.12445	1.2
200.09279	1.0
200.13110	2.1
208.11223	1.2
210.09157	1.9
210.11334	1.1
211.09937	20.7
212.09967	0.5
213.08257	1.1
213.10214	16.2
214.10970	5.6
215.15446	5.5
221.06625	0.5
225.11610	0.8
225.13850	1.4
226.12271	42.8
227.08223	0.9
227.11761	17.7
228.12579	28.5
229.12892	0.6
239.11832	0.9
241.09753	2.1
241.13486	0.8
242.10460	2.8
242.14215	0.6
243.14941	25.7
244.15302	0.9
253.13396	5.0
254.11710	3.0
254.24817	1.6
255.11304	10.8
256.12057	18.3
270.27829	0.6
271.14420	100.0
272.14789	3.3
272.25851	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	271.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99582	0.4
55.05513	0.4
55.91658	0.4
59.77901	0.4
67.01860	0.4
67.05519	0.7
68.99802	0.4
69.07072	2.7
70.06593	50.5
70.08924	1.4
79.05486	0.7
81.07069	1.1
86.09707	28.2
91.05454	0.6
93.07064	0.5
95.08607	0.8
99.08071	0.4
101.96092	0.4
104.36309	0.4
105.26776	0.4
109.10168	0.6
116.07093	100.0
117.07436	1.0
119.04957	1.9
121.02934	0.6
121.26566	0.4
123.11652	0.5
128.10721	18.9
136.07655	0.5
145.02797	0.7
148.07573	0.7
153.01837	4.4
156.10193	3.1
165.10257	1.2
171.02840	0.7
187.03967	0.4
198.00510	0.4
225.10239	0.6
239.03395	0.9
243.06290	0.7
269.89642	0.4
270.04764	0.7
271.06000	45.5
272.06320	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	271.1696
Annotation	Hexestrol
Peak:m/z	Relative Intensity
51.02388	0.3
51.84323	0.3
55.01863	1.2
55.05516	4.1
57.03436	6.7
57.07071	1.0
65.03938	0.3
67.05505	5.0
69.07060	1.5
69.18079	1.5
71.04987	0.6
79.05495	5.3
81.03378	0.3
81.07063	3.9
83.08624	2.4
86.06084	0.5
91.05486	7.1
91.51234	0.3
93.07040	3.4
95.04981	1.0
95.08602	1.5
97.06559	0.4
97.10165	1.3
97.60316	0.3
98.23459	0.5
99.08114	0.5
100.07618	1.2
103.05468	0.7
105.07033	2.6
105.78062	0.3
107.04937	0.8
107.08591	3.5
109.06521	0.5
109.10160	1.3
111.08089	1.0
115.05450	2.3
116.06253	0.8
117.07023	10.0
119.04948	0.5
119.08584	4.5
121.06486	0.6
121.10164	2.8
123.08060	0.7
125.09623	0.5
128.06198	1.6
129.07005	7.2
131.04915	1.3
131.08562	5.2
133.06456	1.8
133.10124	1.2
135.08047	5.2
137.09564	0.5
141.07007	3.1
142.07758	1.4
143.08591	3.1
144.05698	9.0
145.06485	3.7
145.10104	3.8
147.08029	3.2
149.09714	0.6
153.09045	0.3
154.07806	0.4
155.08565	2.9
157.06519	3.1
157.10109	2.4
158.07239	1.3
159.08055	100.0
160.08405	1.9
161.09561	1.8
167.08534	0.8
169.06522	0.8
169.10127	3.1
171.08044	1.4
171.11681	1.1
173.09627	7.5
175.07544	2.0
175.11163	0.4
181.10136	0.5
182.07214	0.5
182.10931	0.5
183.08037	1.4
183.11713	1.0
185.09628	7.5
186.10307	0.6
187.07497	0.5
187.11174	0.8
189.09100	0.9
197.09607	2.9
197.13293	1.1
198.10345	0.3
199.11153	2.3
211.11172	3.4
211.14822	0.3
212.11810	0.5
213.12776	0.4
215.14346	4.6
224.11829	0.5
225.12721	1.3
225.16403	0.9
226.58836	0.3
227.14325	0.4
235.14746	0.5
243.17332	2.1
253.15863	9.4
254.24805	3.8
266.86914	0.3
271.16922	88.5
272.17291	3.8
272.25739	2.3
281.35358	0.3
289.81287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89731	1.0
55.05507	6.4
57.07074	2.0
67.05509	12.6
69.07072	13.2
69.13939	1.5
69.14342	5.3
73.46806	0.9
79.05488	6.0
81.07059	25.7
83.08617	5.1
91.05484	6.6
93.07047	15.5
95.05029	1.0
95.08613	30.7
97.10182	2.6
105.07034	19.0
107.08593	21.4
109.10162	22.2
111.08736	0.9
111.11716	1.0
116.98643	1.0
117.07021	3.6
119.08581	20.1
121.10150	17.3
123.11715	10.7
130.07809	1.1
131.08546	10.8
133.10136	15.2
135.11700	7.9
137.13231	2.7
144.09416	1.2
145.10124	17.1
147.11682	12.5
149.13277	11.7
159.11693	18.1
161.13280	20.4
163.14790	10.1
171.11633	1.0
173.13248	10.2
175.14839	14.0
176.15244	1.0
177.16396	5.4
185.13254	1.0
186.14038	1.0
187.14835	10.2
189.16386	5.5
195.13855	1.1
199.14836	1.4
200.09280	1.2
201.16397	16.5
203.17964	2.1
215.17955	30.1
216.18608	2.6
229.19547	3.8
243.21101	2.4
271.24216	100.0
272.24579	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.9
57.07073	3.2
67.05503	10.9
69.07069	15.5
69.23317	4.3
71.08609	1.1
79.05492	6.1
81.06571	0.9
81.07059	25.8
83.08620	4.7
91.05467	3.9
93.07050	13.4
95.08609	26.4
97.10175	2.6
98.23505	1.6
105.07032	18.8
107.08589	20.6
109.10152	22.3
111.11700	1.1
114.33001	0.7
117.07005	2.2
119.08583	23.0
120.08947	0.8
121.10137	16.9
122.10538	0.9
123.11707	13.3
131.08557	7.8
133.10132	15.9
135.11688	13.5
137.13245	3.6
142.00870	0.7
145.10124	15.0
147.11685	21.7
149.13251	11.6
157.10178	0.9
159.11678	17.6
161.13269	20.8
162.13699	0.9
163.14821	8.5
173.13269	8.8
175.14819	13.6
177.16418	1.9
187.14828	10.9
189.16435	7.1
199.14857	0.8
201.16380	14.6
202.16924	1.1
203.18060	1.7
213.16330	1.0
215.17943	20.9
216.18497	1.0
228.18680	0.9
229.19502	4.7
241.32617	0.8
254.83861	0.8
271.24203	100.0
272.24597	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.49352	1.1
52.63337	1.0
55.05512	6.4
57.07066	3.5
59.05001	1.5
67.05508	12.3
68.18776	0.9
69.07069	13.5
69.58072	3.9
79.05489	4.7
81.07056	20.3
83.08628	8.2
88.91132	1.1
91.05476	6.7
93.07041	10.8
95.08609	24.1
97.10162	2.0
98.22751	2.1
105.07024	17.7
106.84719	0.9
107.08591	22.8
109.10165	25.4
111.11707	1.5
117.07023	2.6
119.08585	18.7
121.09293	1.2
121.10149	18.8
123.11720	12.9
131.08560	4.9
133.10120	14.6
135.11673	10.9
137.07967	1.0
137.13252	2.0
143.08583	1.2
145.10136	13.5
147.11682	16.2
149.13266	10.1
151.11238	1.3
159.11693	17.1
161.13277	17.5
163.14804	9.9
171.11691	1.7
173.13277	9.2
175.14818	14.3
177.16379	2.1
183.11684	2.7
185.13260	1.2
187.14842	8.9
189.16386	6.8
196.12485	1.1
197.13269	1.5
199.14822	1.8
201.16377	12.8
202.17200	1.1
203.17938	2.0
204.30800	1.1
207.72333	1.0
211.14882	1.4
213.16397	1.4
215.17937	15.6
227.17860	1.2
228.18639	1.2
229.19402	5.0
239.17833	1.1
243.21103	1.4
271.20816	7.5
271.24197	100.0
272.09082	1.6
272.24600	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05512	4.9
57.07071	1.6
59.81460	0.4
67.05507	6.2
68.31290	0.4
69.06709	0.5
69.07068	6.8
69.99151	0.5
69.99492	0.9
71.08615	0.7
71.45735	0.3
79.05499	3.2
80.55967	0.4
80.85815	0.3
81.07059	12.3
83.08622	3.6
83.85608	0.4
91.05484	2.7
93.07045	6.7
95.04973	0.5
95.08611	18.4
97.10152	1.2
105.07029	8.2
107.04940	0.6
107.08595	12.6
109.10158	14.0
111.11739	0.4
117.07002	1.7
119.08584	14.3
121.10142	10.7
123.11713	6.1
129.07004	1.1
131.08580	4.8
133.10129	10.6
134.10397	0.5
135.11685	5.6
137.13263	1.4
143.08539	0.9
144.09267	0.6
145.10120	10.8
147.11688	8.2
149.13264	6.4
154.83223	0.4
157.10092	1.3
158.10928	0.8
159.08049	1.4
159.11696	12.9
159.12949	0.8
160.12093	0.5
161.13263	8.8
163.07549	0.6
163.14818	6.2
167.07077	0.6
173.11833	0.7
173.13263	10.2
174.13980	0.6
175.14842	7.4
177.16376	4.5
183.06485	0.7
186.13972	0.5
187.14813	8.7
188.15550	0.9
189.16389	6.3
191.17926	0.6
199.14839	0.4
201.16383	13.6
202.16940	0.9
203.17934	1.5
215.17938	15.5
215.20033	0.8
216.18481	0.9
229.19572	3.7
243.21153	1.1
271.24197	100.0
272.09299	0.5
272.24512	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	271.2423
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.66674	2.7
55.05502	8.1
56.96563	9.9
57.07062	5.3
67.05510	8.5
69.07065	11.0
70.06589	4.0
71.17012	3.3
73.34751	3.3
79.05493	7.9
81.07058	27.2
91.05497	16.6
93.07041	13.7
94.87125	3.0
95.05049	3.6
95.08611	34.9
105.07028	9.3
107.08588	18.8
109.10156	19.3
115.63583	3.2
115.95225	3.1
116.20051	2.8
116.98515	5.6
117.07001	3.4
118.98021	6.2
119.08567	23.6
121.10122	21.8
123.11703	9.9
131.08571	6.3
133.10135	28.1
135.11699	11.9
135.59753	3.1
143.11307	3.0
145.10132	13.4
147.11710	18.8
149.13269	7.7
151.14824	3.1
159.11711	9.3
160.99052	3.2
161.13246	9.9
163.14838	5.0
168.66779	3.3
173.13242	8.5
175.14780	16.3
187.14894	14.1
189.16408	13.3
191.18024	2.9
199.06436	16.7
201.07990	10.8
201.16397	10.8
203.05962	4.0
211.06325	8.2
213.16389	4.4
215.17969	11.2
217.07491	9.4
219.09026	3.9
229.07481	100.0
229.19460	6.7
230.07854	8.4
247.08571	53.8
248.04660	4.8
248.08910	7.5
249.04178	4.0
252.09109	8.1
255.13863	4.9
271.20813	3.3
271.24234	70.5
272.24536	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	271.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60893	0.5
55.05512	6.1
57.07068	4.5
62.06086	1.9
65.03947	1.2
65.62308	0.6
67.05502	10.5
69.06757	0.9
69.07069	9.2
71.08613	0.7
71.46915	0.8
79.05489	6.6
81.07053	20.5
83.08622	5.1
84.12782	0.6
91.05464	5.8
93.07042	13.1
95.04985	1.4
95.08605	25.9
95.09220	1.4
97.10151	2.4
105.07033	20.1
105.74850	0.6
107.07924	1.3
107.08595	16.7
107.89381	0.5
109.10156	21.6
111.11694	1.2
117.07033	3.1
119.07745	1.3
119.08582	23.9
121.10139	13.3
123.11708	10.2
131.08557	7.8
133.10126	18.2
135.11678	9.9
137.13254	2.3
143.08575	1.7
144.09291	1.0
145.10112	18.1
146.10753	0.7
147.11681	20.2
149.13268	9.9
157.10153	1.2
159.11697	14.5
160.12491	0.7
161.13248	21.9
163.14810	11.2
166.42795	0.7
168.73541	0.7
171.11644	0.7
172.12485	0.7
173.13260	10.8
175.14818	15.9
176.15115	1.1
177.16348	3.1
185.13272	1.2
187.14822	11.3
189.16386	10.1
193.48842	0.7
201.16374	12.9
203.17906	1.4
213.16388	0.8
215.17941	21.9
216.18373	1.3
217.19603	0.6
229.19533	4.0
243.21120	1.2
271.24191	100.0
272.24426	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	271.2422
Annotation	Axerophthene
Peak:m/z	Relative Intensity
50.61772	0.6
55.05510	7.3
57.07065	3.3
59.09067	0.7
67.05507	12.6
69.07072	12.4
69.25200	2.5
69.25606	1.3
71.08611	0.8
79.05483	6.4
81.07058	24.8
82.49998	0.8
83.08624	5.5
90.93166	0.7
91.05470	6.4
93.07043	15.6
95.08603	28.5
95.09222	1.5
97.10175	2.4
105.06343	1.3
105.07031	19.3
107.08591	22.6
109.10159	22.7
111.11742	1.5
117.07009	3.0
119.08580	25.6
121.10139	19.9
123.11703	13.2
124.67327	0.8
130.07761	0.9
131.07654	1.1
131.08568	11.1
133.10118	15.5
135.11691	10.9
137.13264	3.1
143.08588	1.4
144.09302	1.5
145.10129	16.2
147.11688	13.7
149.13258	11.1
157.10172	1.7
158.10892	0.7
159.11693	19.4
161.13254	16.6
163.14827	11.2
168.67801	0.7
173.13268	14.0
175.14810	14.8
177.16389	6.6
185.13248	1.2
186.13919	1.0
187.14825	13.8
189.16383	6.3
191.17912	1.5
199.14732	1.2
201.16386	17.1
202.16870	1.0
203.17891	2.1
213.16335	1.6
215.17963	16.7
227.17955	1.1
229.19522	6.3
243.21091	2.3
271.24197	100.0
272.24573	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	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
55.05502	11.6
57.07075	15.1
58.02954	2.7
58.07407	2.8
67.05498	14.5
69.07069	22.3
69.65479	1.6
70.54404	1.5
71.08640	4.7
71.23364	1.8
72.08961	1.9
79.05484	8.1
81.07059	30.2
83.08599	9.1
88.07621	2.0
91.05459	12.8
93.07041	21.9
95.08606	45.8
97.10164	2.0
102.09203	1.9
105.07034	33.5
107.08584	25.1
109.10168	30.7
110.17299	1.6
111.11772	2.1
112.85126	1.6
117.07021	7.3
119.08581	48.2
120.08929	2.0
121.10155	19.8
121.68097	1.7
122.10411	1.9
123.11694	9.6
130.07729	2.1
131.08549	16.8
133.10124	24.1
135.11694	13.5
137.13313	2.3
144.09297	3.2
145.10130	41.7
147.11697	15.6
149.13271	12.0
158.15379	1.8
159.11685	59.6
161.13255	29.2
163.14836	13.5
171.11714	2.0
173.13232	17.8
174.26833	1.6
175.14839	14.3
177.16376	3.4
187.14786	17.7
189.16376	6.6
201.16386	22.7
215.17923	17.5
229.19479	3.1
243.21053	3.1
247.97202	1.6
271.24222	100.0
271.28256	46.7
272.24466	4.7
290.43527	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2421
Annotation	Axerophthene
Peak:m/z	Relative Intensity
52.61775	0.9
55.05509	6.1
57.07074	2.0
67.03673	0.9
67.05504	11.0
69.07070	16.0
79.05490	4.5
81.07062	23.6
83.08628	5.2
91.05469	4.7
93.07056	13.5
95.08611	23.5
97.10177	2.4
105.07033	17.5
107.08598	17.6
109.10158	21.0
111.04437	0.9
117.07037	3.7
119.08584	21.4
121.10146	17.3
123.11697	11.0
131.08559	10.2
133.10126	14.6
134.51863	1.0
135.11729	9.0
137.13295	2.6
143.08545	1.1
145.10144	16.8
147.11693	15.4
149.13257	10.3
151.14902	1.7
157.10072	1.7
158.10947	1.4
159.08038	1.1
159.11693	21.3
161.13260	12.9
163.14833	8.5
171.11711	1.3
172.12372	1.3
173.13280	11.5
175.14835	9.1
177.16393	3.0
187.14812	11.4
189.16444	5.9
199.14798	1.2
200.15379	1.1
201.16393	14.2
202.17052	2.0
203.18011	2.1
206.51588	0.9
213.16454	2.2
215.17952	16.6
226.04048	1.0
229.19498	4.5
243.20999	1.5
271.24210	100.0
272.24545	4.4
283.19659	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2423
Annotation	Axerophthene
Peak:m/z	Relative Intensity
51.01377	1.7
55.05513	13.1
57.07079	3.4
67.05499	15.8
69.07076	15.6
73.39964	1.6
79.05484	8.0
81.07058	29.0
83.08613	7.2
91.05492	10.0
93.07037	18.4
95.08614	48.3
97.10168	4.2
98.23476	4.9
105.07031	31.2
107.08593	23.7
109.10156	25.8
117.07018	4.2
119.08584	40.9
121.10142	20.3
123.11690	11.1
131.08566	12.7
133.10144	24.2
135.11697	9.2
144.09349	2.8
145.10117	25.6
147.11685	16.6
149.13260	11.4
157.10129	2.3
159.11700	28.6
161.13274	27.0
163.14842	12.5
173.13269	13.9
175.14818	13.7
177.16386	5.5
187.14775	13.1
189.16397	3.7
201.16380	17.4
203.17889	2.2
215.17957	20.7
229.19449	2.6
271.24194	100.0
272.24475	3.2
292.85468	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0919
Annotation	Xanthoxoline
Peak:m/z	Relative Intensity
55.74572	0.3
56.96550	0.8
60.37953	0.3
70.58108	0.3
71.44991	0.3
79.05488	0.7
89.03864	0.5
91.05470	0.8
98.97575	1.1
106.06542	1.9
107.04248	0.7
107.04952	11.5
115.05441	0.5
116.04235	0.4
116.04986	3.1
116.98577	0.6
117.03378	0.8
121.06492	0.4
123.04420	1.9
131.98463	0.3
134.06000	5.2
134.99623	0.5
135.04411	4.5
136.03929	0.4
137.05997	1.8
143.04929	1.2
144.04503	0.4
145.06526	0.7
148.83226	0.3
161.05989	2.3
162.05496	11.1
166.08623	0.5
172.94545	0.3
208.09814	0.3
216.10143	0.5
225.97612	0.5
235.79231	0.4
244.09705	0.4
255.06516	0.6
255.10164	3.8
257.06781	2.5
272.09174	100.0
272.12582	5.7
273.09564	2.6
290.94577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94336	0.5
51.20718	0.7
52.28431	0.6
53.84105	0.6
54.20871	0.6
56.96566	1.4
62.49293	0.6
64.47705	0.6
69.55806	1.9
69.56213	1.2
70.06583	1.5
70.21983	0.6
75.63657	0.6
77.03928	0.7
79.05496	1.2
88.51114	0.6
88.51744	0.6
91.05469	1.6
95.05001	1.4
97.16122	0.6
98.97596	2.7
106.06567	1.1
107.04957	100.0
108.05280	1.4
115.05465	5.0
116.04996	0.7
116.98622	2.9
117.07017	1.2
121.06493	1.3
123.04427	9.3
131.04944	1.0
133.06488	1.1
134.06012	1.5
134.99641	1.3
135.04433	1.8
137.06010	1.3
143.04927	9.5
145.06494	6.7
149.05927	1.9
161.05984	17.3
162.05513	2.9
164.07053	1.2
189.69850	0.8
191.08432	0.9
194.07338	1.5
209.09520	3.4
226.06256	0.8
227.06987	0.7
229.07343	1.4
230.98209	1.4
237.09102	3.8
240.07886	0.9
248.99196	0.9
255.10170	28.7
255.12878	1.4
256.10519	1.4
257.06799	4.2
266.19360	0.7
272.09216	35.5
272.12808	53.2
273.09842	1.1
273.13031	1.3
290.94812	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	272.1285
Annotation	(R,S)-Norcoclaurine
Peak:m/z	Relative Intensity
55.01889	0.4
56.96547	0.8
57.07072	0.4
67.05518	0.6
69.59168	1.3
69.59507	0.4
74.92983	0.4
78.64640	0.5
79.05503	1.1
89.68594	0.4
91.05493	1.6
94.90264	0.3
95.04979	1.3
98.97593	2.1
105.04548	0.5
105.07027	1.0
107.04958	100.0
108.05295	1.3
115.05464	5.1
116.05016	0.4
116.19196	0.3
116.98644	1.4
117.07011	0.9
119.04928	0.8
121.06487	1.7
123.04424	8.4
131.04962	0.9
133.06487	1.7
134.06027	1.1
134.99622	0.6
135.04459	1.0
137.05965	1.3
141.35828	0.4
143.04922	10.1
145.06483	7.7
149.06004	1.5
153.07077	0.4
155.06059	0.9
161.05984	19.7
162.05519	1.4
164.07074	1.4
181.06511	0.5
190.07788	0.5
191.08560	1.1
194.07300	1.8
206.95897	0.5
209.09610	2.9
211.20366	0.4
219.07985	0.8
225.97537	0.8
226.06355	0.6
228.06537	0.4
229.07306	0.8
230.98047	0.5
234.89911	0.5
237.09102	3.7
240.07834	0.7
243.06670	0.7
255.10164	29.1
256.10391	0.8
257.06772	2.7
272.09241	24.3
272.12820	52.1
273.09674	0.9
273.13095	1.8
290.94635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2585
Annotation	142-58-5
Peak:m/z	Relative Intensity
55.05512	6.0
56.04781	0.9
56.05042	15.9
57.06822	0.9
57.07081	10.4
58.06597	1.2
58.46562	0.6
60.04253	1.0
60.04528	13.1
64.85900	0.6
66.14958	0.6
67.05501	4.6
69.07081	6.8
70.00567	1.1
70.06598	3.8
71.08629	6.3
74.06084	1.4
79.05489	1.6
81.07063	4.8
82.06570	0.8
83.04958	1.1
83.08625	3.8
85.10194	3.2
86.06074	5.0
93.07014	1.4
95.08604	8.5
96.08151	0.9
97.06495	0.6
97.10156	1.7
98.22768	0.8
107.08556	1.1
109.10170	2.2
111.11616	0.7
121.10109	0.9
123.11730	1.0
135.79399	0.7
164.44911	0.7
212.23769	1.6
222.58459	0.7
224.23726	1.6
226.25291	10.6
226.27335	0.9
236.23708	1.9
242.24785	27.3
254.24789	17.9
255.25053	1.0
272.25851	100.0
273.26144	3.8
285.23218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.2586
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
55.05513	12.1
56.05037	1.2
57.03439	3.3
57.07074	2.9
58.06610	2.4
60.04534	0.7
63.47894	0.4
67.05507	11.9
69.07069	10.6
69.45929	1.4
69.46330	0.8
70.06596	9.8
71.05003	2.6
71.08627	0.8
72.04526	2.1
74.06099	0.9
79.05502	3.8
81.07060	15.7
82.06569	0.5
83.04945	0.5
83.08618	6.1
84.08141	2.8
85.06535	1.6
86.06081	0.8
88.29016	0.4
93.07054	3.4
95.08607	13.3
96.08127	1.5
97.06520	1.3
97.10187	2.8
98.09716	1.0
100.07670	0.5
100.08402	0.5
107.08582	2.7
109.10152	5.1
110.09667	1.0
111.08083	0.7
111.11749	0.7
121.10152	2.0
123.11697	1.6
135.11719	1.2
137.13240	0.6
149.13255	0.9
196.20680	0.6
204.43657	0.5
236.23753	5.9
254.24799	45.9
255.25160	1.8
272.25848	100.0
273.26160	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	272.2585
Annotation	C16 Sphingosine
Peak:m/z	Relative Intensity
54.16032	1.4
55.05505	15.2
56.05034	2.4
57.03421	3.9
57.07080	2.9
58.06598	3.2
59.27858	1.2
62.80418	1.3
67.05160	2.9
67.05501	38.1
69.07059	19.4
70.06590	20.9
70.57798	3.1
71.04985	2.9
71.08594	1.7
76.19916	1.3
79.05492	10.0
81.07052	46.3
81.34397	1.4
83.08633	7.2
84.08140	3.1
86.32043	1.7
87.47477	1.3
91.05476	2.8
93.07048	16.1
95.08601	40.8
96.08096	2.0
97.06478	1.5
97.10182	5.3
98.97585	2.3
105.07006	2.6
107.08554	7.3
109.10158	17.9
112.76284	1.4
116.98640	2.3
117.21971	1.6
119.08576	2.0
121.10138	5.9
123.11687	5.8
131.08604	1.5
135.11691	5.5
137.09502	1.7
137.13232	1.5
145.10179	2.6
149.13228	2.5
157.10152	1.4
157.20575	1.3
163.14801	2.2
164.25104	1.3
207.34279	1.4
236.23740	4.0
237.22098	2.1
254.24779	98.2
255.17555	2.6
255.21103	1.8
255.25166	3.3
272.25839	100.0
273.15512	1.8
273.18488	9.7
273.21786	2.2
273.26309	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	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
51.02359	0.2
51.64140	0.1
55.01876	0.2
56.69902	0.1
61.44227	0.2
65.03932	0.5
67.01860	2.3
67.05499	0.2
68.99775	1.4
69.03426	1.6
69.36473	0.8
73.80967	0.1
79.01844	0.2
79.05484	0.2
81.07043	0.3
83.01339	0.5
91.05481	6.2
91.06055	0.3
92.05803	0.2
95.04967	1.9
95.08590	0.3
97.02901	1.0
98.97593	0.3
105.07022	0.2
107.04945	2.2
111.00811	0.5
119.04942	16.3
120.05254	0.2
121.02872	0.4
121.06507	0.4
123.04438	3.8
125.02295	0.4
147.04404	41.6
148.04733	0.8
151.03964	0.8
151.23141	0.2
153.01820	100.0
154.02161	1.3
161.06036	0.2
168.13834	0.2
169.28424	0.2
171.02928	2.0
179.03409	0.9
189.05473	0.7
207.06557	0.2
211.11513	0.2
231.06551	0.5
237.16037	0.2
252.47733	0.2
255.06497	0.6
255.17282	0.2
273.07559	74.2
274.07950	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.7
55.05514	15.7
57.03438	35.1
67.05504	25.8
69.06755	3.2
69.07066	30.1
70.06586	4.2
71.04993	19.3
79.05494	45.5
81.07051	26.4
83.04949	12.6
83.08615	4.4
85.02925	13.8
85.06523	9.1
91.05457	11.1
93.06537	4.0
93.07051	49.8
95.04967	4.0
95.08593	19.4
97.06532	16.9
98.97555	12.9
99.04448	4.7
99.08071	3.1
99.62194	2.9
105.07014	9.6
107.08593	22.5
109.02923	2.8
109.10138	6.8
111.04443	3.2
111.08053	8.3
116.98575	11.7
117.07002	3.5
119.08581	14.5
121.09271	3.6
121.10140	60.2
123.08060	17.0
125.09591	5.7
134.99585	3.4
135.11685	25.6
139.11163	29.7
145.10098	18.9
153.12753	28.6
159.66391	2.8
163.11188	29.1
167.66725	2.8
181.12244	28.3
199.13313	15.3
255.15715	5.0
268.93945	3.8
273.16855	100.0
273.23193	3.3
274.17197	4.5
290.94717	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
55.05509	5.0
56.82435	1.1
56.96556	1.3
57.03439	1.2
57.07064	3.8
59.04998	1.3
63.87931	1.2
67.05507	21.3
69.03435	2.0
69.07065	9.6
69.98043	3.1
72.55053	1.1
79.05512	7.0
81.03432	1.3
81.07045	9.9
82.18496	1.0
83.04993	1.3
83.07795	1.3
83.08614	1.9
85.06540	2.6
85.09029	1.1
91.05473	18.6
91.27873	1.1
93.07044	11.0
95.04961	4.2
95.08611	5.1
98.97585	5.1
103.05473	1.4
105.07026	27.9
107.04932	1.2
107.08585	11.6
109.06516	17.8
109.10161	5.0
111.08069	1.1
115.05442	1.7
116.98642	3.3
117.07025	6.9
119.04920	2.3
119.08582	25.3
120.28767	1.0
121.06515	1.5
121.10127	9.2
123.08094	3.1
128.06219	3.1
129.07040	7.9
130.07816	3.0
131.08563	13.0
133.06480	3.7
133.10118	12.5
134.99670	1.9
135.08035	8.3
135.11674	1.4
137.05977	18.5
137.09589	2.1
141.07008	4.8
142.07768	8.4
143.08572	22.9
144.09369	2.4
145.10117	22.0
147.08064	3.6
147.11682	7.8
149.09618	3.0
153.06953	1.9
154.07751	3.1
155.08556	11.9
156.09363	12.6
157.10133	22.9
159.08026	2.8
159.11690	7.4
161.09669	4.2
161.13284	2.3
163.11159	1.3
163.14784	2.4
165.06984	4.0
166.07755	1.6
167.08543	5.6
167.10681	2.6
168.09415	3.3
169.10107	18.9
170.10912	5.4
171.11693	27.1
172.12418	3.0
173.09622	16.3
173.13275	6.0
174.10484	2.9
175.07640	1.2
175.11186	10.9
179.08591	2.2
180.09322	2.1
181.10115	7.9
181.11467	1.3
182.10948	11.1
183.11728	9.4
184.12390	2.6
185.09650	3.3
185.13255	8.7
186.13974	2.1
187.11197	3.9
187.14900	3.3
189.12764	12.6
193.10161	3.0
194.10950	1.9
195.11726	6.8
196.12476	7.1
197.09610	1.4
197.13249	37.0
198.14009	4.8
199.11189	18.2
199.14702	1.7
207.11708	3.1
208.12486	1.6
209.13306	2.8
211.11430	1.4
211.14822	23.4
212.12280	1.3
212.15579	10.5
213.12921	6.3
213.16367	23.4
214.13528	2.1
214.16718	2.3
215.14273	8.3
217.12233	2.6
222.14024	4.3
225.12717	3.6
227.14351	11.1
229.15891	9.4
230.16525	2.5
231.17461	2.4
237.16345	8.8
240.15140	5.5
255.17430	60.8
256.17908	2.8
273.18503	100.0
274.18854	4.1
290.94711	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	273.185
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03936	2.6
53.76475	1.0
55.01868	5.2
55.05513	13.6
57.03432	2.2
57.07067	2.8
65.03965	1.2
67.05505	25.4
69.03427	3.3
69.07063	11.1
69.74495	4.0
71.04991	1.6
75.33916	1.1
77.03943	1.1
78.86835	1.2
79.05496	24.3
81.03408	4.1
81.07056	24.4
83.04972	3.8
83.08630	5.5
85.06543	3.0
91.05482	35.0
92.05833	1.3
93.07050	22.8
95.04966	13.2
95.08613	24.4
97.06527	3.9
98.97593	3.7
103.05456	3.3
105.04526	2.2
105.07027	29.8
106.07418	1.3
106.08720	1.5
107.04948	10.1
107.08601	13.7
109.05088	1.0
109.06516	10.7
109.10144	3.7
111.08070	3.1
115.03918	2.4
115.05447	3.4
115.24413	1.1
116.98605	1.7
117.07027	16.6
119.04982	1.3
119.08585	24.1
121.06519	9.5
121.10160	6.9
123.08072	10.0
123.08846	1.6
125.09647	2.4
128.06210	3.3
129.07001	10.4
130.07787	2.0
131.08563	31.8
133.06503	8.5
133.10133	17.1
135.08038	13.1
135.11690	2.8
137.01399	1.1
137.09618	7.8
141.07014	1.6
142.07774	3.3
143.08562	13.4
145.06488	3.5
145.10141	26.1
147.08020	8.3
147.11696	5.1
149.09630	9.4
151.11224	1.6
155.08488	2.3
157.06538	1.4
157.10141	12.5
159.08089	3.5
159.11700	11.5
161.09616	20.5
163.11168	3.2
165.09184	1.4
169.10150	4.1
171.07965	1.4
171.10229	1.7
171.11702	11.2
173.09630	4.3
173.13261	3.2
175.11154	10.6
177.09079	1.4
177.12631	1.4
178.15976	1.9
179.10655	1.4
181.10144	1.8
185.09688	3.2
185.13277	3.7
187.11214	3.2
189.12769	5.2
191.10728	2.4
195.11690	5.2
199.11221	3.1
209.13153	1.6
211.14824	2.9
213.12782	3.2
213.16324	4.1
227.14442	1.3
227.17964	5.9
237.16313	7.2
242.13013	4.3
245.19002	4.3
255.17416	18.1
268.94147	1.7
272.29486	4.0
273.18512	100.0
273.29843	11.8
274.18802	3.6
274.27359	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	273.2215
Annotation	androstenone
Peak:m/z	Relative Intensity
55.05520	25.7
57.07088	10.6
67.05522	25.8
68.74372	4.8
69.07076	18.9
71.04989	44.8
74.77457	4.9
79.05490	24.2
81.07061	70.6
83.08631	13.9
85.06539	13.1
85.47092	4.4
88.07643	5.6
91.05478	38.8
93.07047	96.9
95.04965	16.2
95.08616	76.6
97.06530	7.8
97.35961	4.4
105.07035	71.5
106.72910	4.4
107.08598	49.2
109.06501	30.1
109.10145	31.3
111.08081	36.5
117.07061	14.1
119.08589	80.1
121.10155	49.4
123.08109	10.1
123.11714	32.3
124.69518	4.5
125.09639	4.8
129.07024	6.3
131.08557	27.8
133.10147	45.1
135.08023	6.4
135.11717	21.8
137.09653	7.6
142.07814	4.9
143.08597	20.9
145.10126	63.6
147.08026	6.7
147.11685	30.2
149.13254	12.6
157.10114	27.8
159.11694	74.8
161.09523	5.3
161.13248	25.8
171.11749	16.0
173.13310	17.2
175.14871	14.4
185.13333	14.9
187.14864	5.7
189.16386	32.0
199.14879	14.3
203.14255	7.2
213.16437	15.7
215.17941	67.9
217.15919	15.8
229.19524	6.6
231.21030	4.7
255.21075	45.3
273.18588	35.3
273.22205	100.0
273.29697	6.4
274.27484	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	273.2574
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05515	7.0
57.07072	3.7
63.45137	1.5
67.05511	8.8
69.07071	28.9
76.90477	1.4
77.03869	2.0
79.05479	7.8
81.07063	24.7
83.08623	8.1
88.07645	2.1
90.94308	1.5
91.05479	4.2
93.07057	17.1
95.08611	24.5
97.10175	6.0
105.07024	4.8
107.08598	30.0
109.10172	22.6
111.11731	4.4
119.08590	5.6
121.10140	20.0
123.11701	6.3
133.10129	4.7
135.11681	9.0
137.13232	2.8
147.11681	7.2
149.13257	33.2
161.13274	4.8
163.14821	100.0
164.15178	2.8
175.14825	5.7
177.16328	9.6
189.16380	3.7
191.17909	13.0
193.49031	1.8
203.17920	5.0
217.19475	8.6
230.24800	2.4
231.25188	8.1
255.25108	1.9
261.54401	1.7
262.43185	1.5
273.22830	3.5
273.25803	41.9
274.27356	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05515	7.5
57.07056	2.2
67.05214	0.7
67.05510	8.0
69.07076	29.7
69.28902	1.8
69.29301	0.8
69.33769	0.5
69.57168	0.5
71.08646	0.9
75.32571	0.5
77.03922	0.6
78.86534	0.5
79.05503	5.2
81.07066	26.4
82.07392	0.7
83.08188	0.7
83.08633	8.7
91.05491	3.0
93.07051	19.4
95.08614	23.6
97.10188	4.3
103.80909	0.5
105.07032	5.8
107.08606	34.8
109.10167	23.5
111.11729	5.8
117.07063	0.7
119.08595	7.5
121.10152	21.6
123.11722	7.2
123.81213	0.6
125.13299	0.6
133.10144	4.8
135.11710	11.2
137.13251	3.0
145.10037	0.7
147.11702	5.0
149.13274	35.5
150.13553	0.6
151.14804	1.0
161.13242	5.7
163.14832	100.0
164.15199	1.7
165.16367	1.3
172.07571	0.6
175.14850	6.0
177.16411	8.7
189.16437	4.4
191.17958	15.7
203.17989	6.5
217.19537	8.7
222.17223	0.6
223.81361	0.6
231.21126	1.5
248.27319	0.5
273.25787	40.0
274.27493	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05512	15.9
59.33219	10.2
64.83839	8.1
67.05499	25.4
69.07066	43.2
70.49474	8.0
71.07755	7.9
79.05509	13.9
81.07065	60.3
83.08608	14.4
91.77934	8.5
93.07041	39.3
95.08602	78.6
105.07020	20.7
107.08599	49.0
109.10162	74.5
119.08566	22.6
121.10145	48.6
123.11739	47.1
133.10110	12.8
135.11697	38.1
137.13255	19.8
147.11636	12.2
149.13292	45.6
151.67599	9.7
161.13257	34.2
163.14828	34.5
175.14870	15.0
177.16412	14.6
189.16409	25.5
190.15619	11.1
203.17928	25.1
217.19460	11.5
250.52457	10.0
255.21123	10.0
273.25742	100.0
274.27310	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	273.2578
Annotation	Trixagoene
Peak:m/z	Relative Intensity
55.05503	6.3
57.07076	3.0
57.38369	0.8
67.05503	5.6
69.06709	1.7
69.07069	26.8
71.08604	1.1
78.51924	0.9
79.05485	4.5
81.07058	22.0
83.08631	6.2
87.32415	0.8
88.07644	1.0
91.05468	2.1
93.07042	17.2
95.04974	2.3
95.08601	23.8
97.10167	2.9
98.22599	1.7
103.32850	1.0
105.07058	5.0
107.08592	26.3
109.06477	1.2
109.10159	21.0
111.11736	2.6
119.08579	5.3
121.10145	19.7
123.11704	7.6
133.10118	6.4
135.11691	11.6
137.13264	2.7
147.11699	5.0
149.13249	32.9
160.60168	0.9
161.13297	6.9
163.14813	100.0
164.15132	1.8
175.14821	5.7
177.16365	8.2
189.16435	4.7
191.17941	15.2
193.04987	1.2
203.17955	6.7
217.19522	8.4
221.64091	1.0
273.18423	3.1
273.25751	40.9
274.27594	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	274.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	3.6
69.36348	5.4
69.36736	7.5
70.06588	70.6
74.06079	3.7
76.75162	2.9
79.05479	3.4
81.07021	3.3
82.06593	3.0
83.04951	2.9
84.08150	4.7
88.07633	4.9
91.05467	3.9
94.06579	4.1
98.97588	18.3
116.98614	11.5
127.00068	6.6
134.99666	3.6
142.06270	13.7
148.26936	3.2
173.08423	3.3
179.34355	3.0
188.06854	9.1
216.13513	2.6
216.15904	7.2
220.16985	6.9
230.07878	69.8
233.26205	2.8
238.18037	9.9
256.19052	12.8
268.94287	4.1
274.06860	100.0
274.20190	85.2
274.27420	8.2
274.97491	9.8
292.98486	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	274.1075
Annotation	8-Methoxytaifine
Peak:m/z	Relative Intensity
51.02367	0.3
53.03935	0.8
55.01861	0.4
55.05508	0.7
65.83890	0.3
67.05491	0.6
67.61466	0.3
69.07076	0.3
70.06592	0.7
70.09953	0.7
70.10284	0.3
73.02914	0.3
77.03925	1.3
79.05486	0.5
81.07051	0.5
83.04982	0.4
84.05296	0.3
84.08168	0.3
91.05481	10.8
93.07041	16.2
95.04958	4.5
95.08603	0.6
97.71670	0.3
98.23366	0.3
98.97581	0.4
103.05468	12.0
105.04494	1.9
107.04947	1.2
107.08534	0.3
111.03184	0.7
119.08589	0.4
121.06502	100.0
122.06852	1.8
125.04668	0.3
126.05519	4.5
130.24765	0.3
132.04428	0.9
152.03389	0.6
153.01825	0.4
153.04196	2.7
154.04982	17.5
161.13237	0.4
168.06560	10.8
171.35396	0.3
171.37108	0.3
174.67487	0.3
194.19156	0.3
196.16896	0.6
256.19162	2.0
274.10715	43.7
274.20123	3.0
274.97491	0.4
275.05139	0.7
275.10962	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	5.3
60.05660	1.2
64.95924	0.8
69.07055	2.0
70.06592	4.7
72.08148	3.0
74.70580	0.9
82.99868	1.4
84.08131	1.7
86.09711	51.9
87.10043	2.8
97.06512	4.5
98.97588	11.7
100.02479	2.6
101.00886	13.5
102.00957	1.1
103.69223	0.8
110.06036	1.4
113.00044	2.0
116.98636	7.6
118.03533	5.7
119.01927	44.8
120.02055	2.6
121.06498	1.4
125.07065	0.8
130.03531	1.4
131.01915	3.4
133.01674	1.7
134.99661	3.5
136.04582	2.0
137.02954	11.7
143.01852	1.1
144.05046	1.4
145.03445	3.0
149.02837	1.0
154.03540	1.4
158.06599	1.1
159.05028	2.8
160.02782	2.0
168.08752	2.4
172.04553	0.9
172.08138	0.8
173.06644	1.0
174.08044	0.9
175.11913	3.5
178.03773	1.8
179.00688	0.9
184.04585	3.0
185.02921	1.6
186.09769	31.8
187.09956	3.9
189.02516	1.7
191.04060	1.3
196.08261	2.2
197.06670	2.1
200.09550	2.7
203.04005	1.3
204.10806	9.4
205.10989	1.6
207.03520	0.9
208.95911	1.2
212.04250	1.1
213.02429	2.8
214.09245	50.9
215.07613	1.6
215.09460	9.4
220.02122	1.4
228.09056	1.6
230.05089	2.1
231.03500	2.7
231.98259	0.9
232.10304	100.0
232.95932	1.5
233.10526	19.2
234.10271	1.0
242.07205	1.1
246.10086	3.6
250.96823	1.0
251.07814	2.0
251.57803	0.9
255.11884	2.1
256.03104	1.8
256.08563	1.5
257.01407	2.5
260.08313	1.7
261.03116	2.9
268.94058	1.0
274.04178	1.9
274.09561	9.1
274.18732	5.6
274.97318	8.8
275.02280	4.1
292.10699	4.4
292.98486	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	274.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60046	1.4
56.96547	2.7
59.83255	1.4
60.59765	1.2
70.06569	3.0
72.08148	3.8
72.30350	1.3
83.06104	4.7
86.09695	1.3
91.05482	16.0
93.04545	3.3
95.06084	4.4
96.00459	1.3
98.97581	24.9
110.07165	100.0
116.98634	13.8
134.99666	6.2
143.08092	1.8
144.26738	1.5
156.07695	31.4
218.55247	1.5
228.11307	12.7
232.96367	1.5
256.10812	3.2
268.94266	2.5
269.09189	1.4
274.11884	24.7
274.27368	3.6
274.97501	19.0
292.98511	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	274.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28092	0.5
55.05522	2.4
56.05031	1.7
57.07079	33.0
62.90639	0.6
67.05508	12.4
69.07056	1.2
69.89981	1.3
70.06609	0.5
79.05499	1.0
81.07061	4.7
83.08620	5.6
84.04508	50.4
84.43292	0.5
85.02898	1.5
85.10183	1.2
91.05439	0.7
93.07024	0.9
97.06537	0.9
97.31007	0.5
98.22809	0.9
98.97581	2.1
102.05547	25.0
102.06232	1.2
105.07064	1.4
107.08610	1.2
109.10162	49.3
110.10515	1.0
116.98632	1.4
119.08602	0.7
121.06528	0.5
121.10140	0.6
127.11202	15.2
130.05005	49.0
131.05360	0.7
134.99550	0.6
148.06047	100.0
149.06406	1.4
161.09570	0.6
179.10625	0.7
239.12859	0.6
268.94049	0.6
274.16537	3.0
274.27557	1.0
274.97574	1.4
275.20108	1.9
292.98679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2014
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
55.01868	0.7
55.05513	4.3
56.05038	0.7
57.03429	3.3
57.07070	0.8
58.06597	1.4
60.04518	2.0
67.05505	8.4
69.03421	1.4
69.07064	4.7
70.02946	3.0
70.06231	1.0
70.06595	14.8
71.04978	2.2
79.05491	10.4
81.03444	0.8
81.06626	1.2
81.07060	14.2
82.06592	1.0
83.04967	2.8
83.08612	1.2
84.08121	2.1
85.06538	0.9
88.03957	0.8
91.05470	5.7
93.07043	13.6
95.04946	1.0
95.08604	14.0
96.08128	1.7
97.06519	2.5
98.23434	1.7
99.08073	0.8
102.05550	8.3
105.07037	7.1
107.04930	1.1
107.08594	8.3
107.09273	1.0
108.08904	0.7
109.10118	2.0
110.09672	0.7
111.04440	2.8
111.08060	0.8
111.11689	1.0
117.06996	0.6
119.08609	9.2
121.06471	0.8
121.10126	6.0
124.11226	2.7
125.09636	0.9
128.04947	1.7
129.05473	2.8
129.06995	1.0
131.08601	1.1
132.04457	1.9
133.10129	4.1
135.11700	3.9
137.13252	0.7
139.11182	0.9
143.08563	1.8
146.06006	36.5
147.11649	0.8
149.09676	0.7
152.14359	0.9
155.07072	0.7
159.11681	1.2
161.09720	0.7
161.13272	16.8
162.44984	0.7
165.09187	0.8
174.05533	3.4
175.14864	2.1
179.14319	4.0
185.13240	2.1
194.19051	8.9
196.16971	26.4
197.15381	3.6
197.17177	0.9
203.14352	2.1
212.20082	4.2
220.16946	4.4
221.15355	3.2
238.18022	10.4
239.16373	3.3
243.07587	3.2
256.19083	67.0
257.19247	1.7
258.44998	0.6
274.20126	100.0
275.20392	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	274.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	35.3
55.80708	17.8
56.96552	25.3
63.17973	18.1
67.05511	24.6
69.40628	74.4
79.87436	15.5
81.07041	28.8
83.08634	21.6
88.69051	16.5
95.19273	19.1
98.97566	100.0
102.05558	27.1
107.04930	28.3
116.98613	70.2
146.06020	40.8
147.04482	18.9
148.04759	37.3
150.49414	18.1
162.18414	20.1
174.41193	18.9
228.16074	46.4
256.15460	57.9
274.20087	44.8
274.27533	41.6
274.97531	57.7
275.17194	27.6
292.98407	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	274.2014
Annotation	Heptanoylcarnitine
Peak:m/z	Relative Intensity
54.69254	0.3
55.05504	1.2
55.85338	0.3
56.05033	2.8
56.96553	0.4
57.03431	1.1
58.06597	1.3
58.39985	0.3
67.05502	1.6
69.07086	2.2
69.47731	1.3
70.06591	0.9
71.04993	1.1
74.06079	6.1
74.89927	0.3
75.33638	0.4
79.05497	1.0
81.07069	1.8
82.06584	3.4
83.05002	0.7
83.08605	0.4
84.08182	0.6
91.05487	0.9
93.07037	1.4
94.05990	0.6
94.06570	7.3
95.04954	0.4
95.08607	1.6
96.08124	0.5
97.06507	0.6
98.23440	0.6
98.97585	4.5
100.07617	0.9
105.07014	0.5
107.08577	1.0
108.08100	0.5
109.10136	0.5
112.07645	0.3
116.98607	2.5
119.08620	0.5
121.10109	0.4
122.09657	0.5
123.08060	0.6
133.10132	0.6
134.99649	0.7
135.11719	0.7
145.10086	0.4
162.12811	0.4
168.13829	2.9
180.13849	1.4
181.31183	0.3
182.15407	0.6
186.14903	0.9
191.37663	0.4
194.51387	0.4
198.07523	0.6
198.14905	1.1
202.15942	0.4
210.18507	0.6
220.16971	6.2
238.18019	11.0
250.93120	0.4
256.19067	6.5
274.20123	100.0
274.97531	3.1
275.04825	0.7
275.20361	3.1
292.98477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	0.2
68.05025	0.2
69.07040	0.2
69.34367	0.3
69.34759	0.4
70.06589	100.0
71.06923	0.7
74.02547	0.1
84.08151	0.2
93.60104	0.1
94.06584	0.2
98.22687	0.3
98.97569	0.7
116.98631	0.4
127.00059	0.3
132.58176	0.2
136.05000	0.1
216.15924	0.8
222.02609	0.1
230.07912	0.6
238.17999	0.2
242.17534	0.6
256.13678	0.2
256.19089	0.4
274.06812	0.9
274.14410	0.5
274.20108	3.1
274.27222	0.2
274.97470	0.3
292.98480	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	274.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32562	0.1
54.13601	0.1
56.96569	0.2
60.87235	0.1
68.05049	0.2
70.06588	100.0
71.06915	0.7
79.05521	0.2
81.07053	0.2
84.08147	0.3
96.47020	0.1
98.97590	1.3
105.07051	0.2
109.10233	0.2
110.61354	0.1
116.98614	0.7
134.99707	0.3
216.15956	0.2
230.07935	0.2
238.18051	0.2
242.17534	0.4
256.19089	0.5
274.06927	0.4
274.10464	0.2
274.14719	0.2
274.20160	3.0
274.27579	0.2
274.97482	1.1
276.04089	0.1
292.98718	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2743
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
55.05512	10.3
57.03438	3.9
57.07047	1.6
58.06561	3.2
63.21204	0.6
67.05511	8.8
69.07074	11.9
70.06594	6.9
70.15291	1.5
81.07064	10.4
83.08618	7.1
85.06510	1.2
93.92747	0.9
95.08608	11.8
97.10167	5.0
109.10155	6.6
111.11670	1.4
123.11670	1.6
132.49776	0.7
137.13191	1.1
158.23117	0.8
238.25296	17.2
256.26352	100.0
257.26688	2.8
263.37457	0.7
274.27405	72.9
275.27820	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0166
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	12.5
58.99861	2.1
67.87549	1.4
70.06580	3.5
70.95860	6.6
71.45113	1.8
72.08169	6.6
82.36256	1.4
82.99847	2.8
84.08159	8.2
86.09711	12.7
98.97591	38.7
101.00887	26.0
102.00967	1.6
103.02442	2.7
113.00018	12.6
113.00762	1.8
116.98627	26.3
117.04012	3.1
119.01923	100.0
120.02024	5.7
121.01660	2.4
125.07131	3.9
127.02438	2.5
131.01906	10.3
132.95790	1.9
134.99640	10.2
137.02948	25.3
138.03094	1.8
142.03477	2.9
143.01903	2.9
145.03494	16.6
147.01387	2.4
149.02986	3.8
157.03444	3.0
157.12361	1.7
159.02789	5.9
159.05009	13.4
161.02965	2.5
163.04494	6.0
169.03456	1.7
171.01376	2.5
174.99095	8.8
175.11951	2.2
177.00954	3.4
177.02408	2.6
177.06102	4.5
185.02997	9.1
185.04610	1.9
187.04497	6.6
187.09962	3.5
188.09518	3.1
189.02489	7.0
190.94881	4.7
190.98605	3.1
193.00194	6.8
203.02444	3.1
203.04018	14.1
207.03551	3.0
208.95993	5.9
213.02448	19.7
215.00269	1.6
215.09438	7.2
216.09106	4.8
219.01877	4.0
221.01816	1.7
221.05028	2.7
229.01888	2.6
231.03471	17.6
232.10432	1.9
232.95976	12.2
232.99574	1.6
233.10448	14.0
234.10117	10.2
239.00359	5.3
243.01958	2.8
250.97000	6.8
256.81195	1.7
256.96432	6.3
257.01398	18.2
258.14575	1.9
261.03082	15.3
274.18597	2.7
274.27408	2.9
274.97318	53.0
275.02350	25.2
275.05057	3.8
275.10654	2.7
275.97443	2.2
276.02472	1.9
292.98465	17.5
293.03333	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	275.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51188	13.1
64.47823	15.8
69.10349	90.9
80.05080	12.6
86.09707	13.1
89.45715	15.1
98.97580	100.0
113.00027	36.1
116.98624	36.6
121.31188	16.3
141.04611	14.7
190.12114	15.1
192.86301	14.9
208.26137	14.6
263.15778	16.7
274.97592	74.0
275.01950	20.6
292.98676	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0374
Annotation	9-phenanthryl hydrogen sulfate
Peak:m/z	Relative Intensity
50.98485	1.8
56.96557	5.7
63.09307	1.5
69.76981	6.3
70.06590	2.5
72.08160	2.6
78.85980	1.8
84.08132	3.5
86.09695	3.9
88.11263	2.5
95.04991	2.1
98.97579	31.8
110.97516	1.6
112.99936	1.6
116.98621	21.7
119.01918	6.2
134.99626	9.2
141.16029	2.1
143.03139	3.3
147.04340	1.8
155.13062	1.8
159.04951	1.8
168.74210	1.7
191.99207	1.6
205.66628	1.6
215.01656	5.9
224.24138	1.6
232.96265	3.6
256.96683	3.3
257.02689	95.6
274.27325	2.6
274.97510	30.1
275.03735	100.0
275.11008	92.2
292.98508	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	275.0914
Annotation	Phloretin
Peak:m/z	Relative Intensity
53.03956	0.2
55.01875	0.2
60.69169	0.1
67.01868	1.1
68.99795	0.2
69.03420	0.1
72.85703	0.1
77.03921	0.4
79.05489	0.8
81.03416	0.2
83.05028	0.2
85.02876	0.9
93.07002	0.2
93.08724	0.1
95.04961	1.3
95.08596	0.2
98.97570	0.7
105.04529	0.5
107.04953	100.0
108.05293	1.6
109.02881	0.2
111.00814	0.3
116.98616	0.6
121.06544	0.3
123.04436	0.7
127.03911	3.9
131.04984	0.2
134.99683	0.2
140.79709	0.1
145.02821	0.2
149.05975	1.2
151.03908	3.5
153.01784	0.4
169.04961	15.8
170.05280	0.3
177.05496	0.4
181.04953	1.0
204.28598	0.2
244.36079	0.1
252.30809	0.2
257.07938	0.2
274.97488	0.8
275.09171	3.0
283.22046	0.1
292.98599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	2.8
59.26830	0.6
69.94314	1.3
69.94628	0.5
78.57853	0.5
84.08131	0.9
84.82889	0.6
94.67174	0.5
95.06085	1.1
98.23418	0.8
98.97591	22.6
98.98249	1.1
99.87876	0.5
113.00006	3.9
113.07127	1.1
116.98631	9.4
134.99696	2.4
136.00020	0.7
144.10249	0.7
215.01556	0.9
232.96507	1.3
256.96552	3.0
257.02686	12.6
274.97540	16.3
275.03784	13.6
275.11023	100.0
276.11340	2.7
280.96918	0.6
292.98615	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	275.2007
Annotation	Apo-13-zeaxanthinone
Peak:m/z	Relative Intensity
55.01856	0.9
55.05517	3.1
57.07058	0.8
58.05083	0.4
58.99862	0.4
64.21802	0.4
67.05511	2.4
69.03422	1.4
69.06708	0.8
69.07067	11.1
71.04976	1.4
77.03899	0.5
79.05483	1.6
80.36957	0.4
81.07059	3.9
83.04980	1.2
83.08604	1.7
91.05474	3.3
93.07052	8.1
95.04961	3.0
95.08617	5.4
97.06491	1.2
105.07033	4.2
107.04943	1.4
107.08608	4.9
109.06506	2.7
109.10143	1.5
110.42738	0.5
111.04464	0.5
111.08083	25.3
111.11716	0.6
117.07024	1.1
119.08556	3.4
121.06496	2.7
121.10145	4.4
122.07289	4.9
123.08073	16.3
123.11700	1.4
129.06940	0.6
131.08575	2.0
133.10141	3.9
135.08054	21.7
135.11681	2.7
137.09642	1.2
139.07558	0.7
143.08592	0.7
145.10138	3.6
147.07996	0.9
147.11725	2.6
148.08844	0.7
149.09627	2.8
149.13223	1.1
151.07607	0.6
157.10173	1.1
159.11699	2.5
161.09650	1.9
161.13437	0.6
163.11186	1.9
165.12767	2.7
169.10123	0.5
171.11774	1.0
173.13315	2.5
175.11192	1.0
175.14796	1.1
176.11961	7.3
181.12245	13.3
183.11757	0.5
187.11192	0.6
189.16359	0.6
191.14310	100.0
192.14667	2.9
199.14865	1.2
201.12785	0.7
205.12189	0.5
213.16306	0.6
215.18016	1.2
217.15773	2.2
219.13904	0.5
257.19077	2.2
274.27454	0.5
275.20074	29.2
275.27811	2.7
276.20197	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02407	0.6
53.03941	0.8
55.01883	3.2
55.05510	10.3
57.03439	1.3
57.07067	1.7
59.04985	0.6
60.35557	0.5
60.41909	0.6
62.81446	0.6
67.05504	14.8
69.03443	0.8
69.07067	8.4
69.14428	3.8
71.04987	2.8
77.03947	0.7
79.05495	17.0
81.03404	0.8
81.07059	17.0
83.04977	2.3
83.08622	4.7
85.06509	1.3
88.07610	1.1
91.05483	31.8
93.07043	15.8
93.66150	0.6
95.04974	3.8
95.08611	10.5
97.06535	2.5
97.10167	1.8
98.22730	1.5
98.97591	1.8
101.05977	0.6
103.05473	1.5
105.04515	0.9
105.07030	48.8
106.08667	0.9
107.04962	2.8
107.08590	13.3
109.06520	2.6
109.10159	4.6
111.08083	1.4
116.98653	1.8
117.07014	8.0
119.08580	27.9
120.08967	0.8
121.06491	2.0
121.10139	6.7
123.08044	2.1
123.11717	1.3
125.09595	1.4
129.06984	2.1
130.07816	0.7
131.08559	10.7
133.06477	0.7
133.10133	29.9
134.99710	0.6
135.08034	3.1
135.11714	2.9
137.09621	1.8
141.07010	0.7
143.08543	1.8
145.10133	11.8
147.08055	1.5
147.11684	18.4
148.08835	0.6
149.09610	6.4
149.13240	1.7
151.11058	0.9
155.08554	1.3
157.10136	2.7
159.08105	0.9
159.11694	7.6
161.09630	1.7
161.13237	4.6
161.38333	0.6
163.11166	2.6
165.09151	1.2
169.10129	1.7
171.11717	3.8
171.90378	0.6
173.13257	4.0
175.11278	1.0
177.12744	1.3
183.11758	2.0
185.13251	1.7
187.11172	1.1
187.14775	1.0
189.12717	0.9
191.14488	0.7
195.43712	0.7
197.13318	1.2
201.12617	1.1
211.14757	0.9
215.17928	1.5
217.15985	0.8
219.13875	0.7
229.19482	2.1
239.18066	3.3
247.20552	1.9
257.18976	8.2
274.97440	0.7
275.20071	100.0
275.27600	2.9
276.20374	3.6
292.98413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
51.02381	0.4
53.03944	1.1
55.01875	3.7
55.05513	12.7
57.03425	1.5
57.07063	1.5
59.04994	0.7
61.65259	0.4
65.03936	0.8
67.05510	19.6
69.03428	0.9
69.07069	10.6
69.63860	0.8
69.64225	0.7
70.06589	0.6
70.07409	0.5
71.04982	1.8
72.08138	0.4
73.06572	0.5
77.03922	0.6
79.05498	20.9
80.05846	0.5
81.03413	0.6
81.07059	23.6
83.04991	2.9
83.08620	5.8
84.08945	0.6
85.06528	1.0
91.05486	34.8
93.07049	20.9
95.04971	4.3
95.08611	14.7
96.08915	0.5
97.06544	3.6
97.10162	2.5
98.97567	1.3
99.08098	0.6
101.06101	0.4
103.05455	1.5
105.07037	52.2
106.07318	0.5
107.04955	3.4
107.08600	14.4
109.06520	4.9
109.10160	7.1
110.10526	0.8
111.08066	1.1
113.05981	0.5
115.05464	1.0
116.98629	0.8
117.07027	10.2
119.08589	30.4
121.06522	3.1
121.10155	8.6
123.08085	2.7
123.11690	2.1
125.09622	1.6
129.07011	2.7
130.07802	0.7
130.36928	0.4
131.08572	12.9
132.09341	0.6
133.06483	1.4
133.10135	33.2
134.10487	0.8
135.08061	3.8
135.11702	4.1
137.09641	3.3
141.06987	1.5
143.08553	2.4
145.10123	11.4
146.10883	0.7
147.08018	1.2
147.11690	17.2
147.12869	0.8
149.09633	6.3
149.13234	1.4
151.11218	3.0
155.08528	1.2
157.10182	2.3
159.08101	0.8
159.11688	8.3
160.12392	0.5
160.58867	0.4
161.09648	1.6
161.13278	5.0
163.11177	5.7
165.09085	1.3
165.12741	2.2
169.10147	2.6
171.11691	2.9
173.09584	0.4
173.13274	5.0
175.11201	1.2
175.14836	1.2
177.12721	1.8
179.14281	0.7
183.11719	2.0
185.13252	0.7
187.11151	1.4
187.14806	1.3
189.12712	0.7
191.10596	0.6
191.14307	0.8
197.13287	2.6
201.12698	0.9
201.16331	0.5
205.12267	0.7
211.14958	0.7
213.16420	0.7
215.14256	1.1
215.17969	1.0
219.13783	0.9
229.19466	3.2
233.15405	0.9
233.18980	0.9
238.25310	0.6
239.17929	5.7
239.25598	1.4
247.20570	3.5
256.26346	2.3
257.19025	10.4
257.26688	10.3
274.27402	1.0
274.97620	0.7
275.20065	100.0
275.27765	7.4
276.20346	3.5
292.98410	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.01878	4.1
55.05285	2.2
55.05509	20.8
57.03437	1.8
57.07074	3.0
67.05500	28.6
69.03423	3.4
69.06710	2.2
69.07069	30.5
69.80162	5.6
70.06585	2.6
71.04977	3.2
73.06544	4.3
79.05495	32.5
80.94837	2.9
81.07054	31.1
83.04971	4.7
83.08604	8.1
88.07635	2.8
91.05482	38.0
93.07043	33.8
95.04973	9.4
95.08602	26.2
97.06519	4.8
97.10138	3.8
98.97583	4.5
105.07028	49.0
107.04976	10.4
107.08595	27.7
109.06496	10.7
109.10164	9.0
117.07028	13.4
119.08578	38.5
121.06509	10.5
121.10165	15.1
123.08084	5.6
123.11707	3.5
125.09632	1.7
128.06197	2.2
129.06993	5.5
131.08562	21.1
133.10120	28.4
135.08032	9.2
135.11653	8.2
135.73195	1.6
137.09612	3.4
141.07007	1.7
143.08556	6.2
145.10118	23.6
147.08078	2.8
147.11667	22.2
149.09627	6.0
149.13246	4.4
155.08571	2.4
157.10112	3.2
159.11707	17.1
161.09682	5.3
161.13228	7.8
163.11205	8.0
169.10162	2.0
171.11694	4.2
173.09613	3.7
173.13274	7.0
175.11203	4.4
175.14905	2.8
177.12805	4.0
179.10738	2.1
179.14320	2.8
183.11720	6.0
187.11191	2.9
187.14816	3.2
189.12691	1.9
191.14369	5.6
197.13263	4.2
201.12816	3.1
207.13779	2.2
214.79982	1.6
215.17918	1.8
229.19563	12.2
239.17891	8.4
247.20486	10.3
257.19012	56.7
258.19485	1.6
274.27316	4.7
275.20068	100.0
275.27740	22.0
276.20389	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	275.2008
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.06432	0.6
50.40249	0.6
51.02376	0.6
52.97998	0.6
53.03935	1.7
55.01871	9.6
55.05260	1.2
55.05513	22.9
57.03426	1.9
57.07070	1.1
59.04980	1.1
65.03937	1.0
67.05506	26.8
69.03423	2.0
69.07070	7.7
70.93939	0.6
71.04977	2.7
77.03928	0.9
77.16112	0.7
79.05493	38.7
80.94857	0.8
81.03397	1.8
81.06570	1.0
81.07056	23.0
83.04973	2.9
83.08625	5.1
85.06525	1.8
91.05482	30.7
91.06062	1.5
93.07047	22.6
95.04957	5.9
95.08611	10.4
97.06517	4.9
97.10160	5.0
98.22718	1.7
98.97581	1.0
99.04528	0.7
103.05448	1.5
105.04549	0.8
105.07031	40.1
106.07336	0.7
107.04955	26.4
107.08594	28.8
109.06519	3.0
109.10149	12.6
111.08076	2.0
113.05993	1.0
115.05465	1.1
117.07012	10.6
117.53603	0.6
118.07834	0.8
119.06005	0.7
119.08582	25.5
121.06478	3.2
121.10136	10.3
123.08054	3.2
123.11723	3.9
125.09634	6.6
126.47832	0.7
129.07007	2.2
131.08569	13.9
133.06502	1.2
133.10136	26.3
135.08052	6.9
135.11697	3.4
137.09628	2.6
141.06952	0.9
143.08556	2.3
145.10114	12.2
147.08058	1.7
147.11699	15.8
149.09616	50.8
149.13297	1.1
150.09946	0.9
151.11151	1.5
153.09097	2.5
155.08611	1.1
157.10143	3.1
159.11690	9.1
161.09639	1.5
161.13263	5.2
163.11209	2.5
165.09155	0.9
169.10112	1.7
169.12260	2.7
171.10291	0.9
171.11668	2.2
173.11723	3.2
173.13281	5.4
175.11182	1.2
175.14784	1.4
177.12766	2.0
183.11740	2.1
185.13310	1.3
187.11221	2.5
187.13292	2.2
187.14746	1.2
191.14293	1.2
193.12189	1.6
197.13274	2.6
199.14897	0.8
201.12885	0.8
205.12175	0.8
211.14908	1.2
215.14375	1.5
215.17923	2.7
229.19537	8.0
233.15359	1.7
239.17946	3.0
247.20580	3.1
248.89667	0.6
251.01428	0.7
255.44130	0.8
257.19009	18.7
273.54199	0.7
274.27448	0.7
275.20062	100.0
275.27649	4.1
276.20428	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	0.9
55.01873	3.0
55.05256	1.0
55.05511	13.3
57.03452	2.7
57.07075	1.1
59.04996	0.6
67.05508	15.0
69.03441	1.6
69.06717	0.9
69.07072	11.0
70.06596	0.6
71.04983	2.4
73.06559	0.7
77.03922	0.8
78.98120	0.6
79.05039	1.3
79.05496	23.4
81.03410	1.6
81.07058	19.6
81.49548	0.6
83.04980	2.7
83.08625	2.8
85.06547	1.7
91.05484	32.4
93.07047	20.0
95.04970	4.0
95.08604	14.0
97.06531	3.1
97.10162	1.9
103.05431	1.3
105.04485	0.9
105.07035	42.8
107.04955	14.9
107.08593	13.9
108.47761	0.7
109.06528	3.1
109.10165	4.4
111.08064	1.6
111.98580	0.6
115.05477	1.3
117.07030	8.9
119.08591	30.7
120.08921	0.6
121.06493	3.3
121.10150	8.1
123.08047	1.9
123.11717	1.6
129.07018	2.2
130.07738	0.8
131.08574	13.1
133.06485	1.3
133.10138	26.1
134.62608	0.5
135.08061	11.6
135.11703	2.1
137.09610	1.8
139.11180	1.1
139.54437	0.5
141.07036	1.4
141.15463	0.6
143.08563	2.5
145.10124	10.8
146.10942	0.7
147.08046	0.9
147.11694	14.9
149.09612	6.5
149.13223	0.8
151.11200	1.0
155.08620	1.1
157.10153	2.7
159.11685	6.7
161.02695	0.6
161.09621	1.2
161.13275	4.0
163.11168	2.8
169.10127	1.5
169.12280	0.6
171.11653	1.4
173.13239	3.6
175.11188	1.7
175.14760	1.0
177.12727	1.3
183.11734	1.9
183.13855	1.0
185.13272	1.6
187.13165	0.9
189.12694	0.7
191.14336	1.3
197.13318	1.3
201.12701	0.9
201.16409	0.9
203.14461	0.8
207.13989	0.7
211.14679	0.8
215.17969	0.6
219.13870	1.4
219.17445	1.3
229.19586	2.5
239.17937	3.6
247.20570	1.9
255.87721	0.6
257.19000	7.9
259.78363	0.7
274.27637	0.6
275.20074	100.0
275.27698	5.2
276.20428	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	275.2009
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
50.21445	0.5
53.03949	1.5
55.01871	4.1
55.05258	1.1
55.05515	18.0
57.03444	3.3
57.07080	1.1
59.04996	0.7
61.06831	0.5
65.03947	1.0
67.05164	1.2
67.05508	23.3
69.03419	1.5
69.07066	7.5
69.35710	1.2
69.36116	2.2
71.05000	2.2
77.03915	1.6
79.05496	31.9
81.03416	1.1
81.07060	20.3
83.04977	2.4
83.08617	4.9
85.06538	1.4
91.05482	30.5
93.07051	19.2
95.04970	3.7
95.08607	9.3
97.06526	2.5
97.10172	3.4
98.23447	1.2
99.08076	0.8
103.05490	0.9
104.06268	0.7
105.04528	0.7
105.07033	40.0
107.04956	17.2
107.08595	22.8
109.06509	3.9
109.10162	12.4
111.08081	1.7
115.05458	1.2
116.06334	0.7
117.07024	9.5
119.08585	26.0
121.06515	1.9
121.10143	8.6
123.08025	1.4
123.11690	2.6
125.09640	4.3
129.07002	2.2
130.07774	0.6
131.08580	12.7
132.08966	0.5
133.06473	0.9
133.10127	26.9
134.10428	0.8
135.08046	3.9
135.11700	3.5
137.09598	1.7
141.06931	0.9
141.38484	0.6
143.08565	2.2
145.10127	10.4
147.08070	1.5
147.11693	18.9
149.09622	36.8
153.09102	1.6
155.08600	1.2
155.10727	1.2
157.10170	3.2
159.11723	7.6
161.13280	4.4
163.11220	2.3
165.09111	0.7
165.12766	0.8
167.10724	0.7
169.10114	0.9
169.12241	2.1
171.10313	0.6
171.11678	2.0
172.66368	0.6
173.11737	2.0
173.13274	4.2
175.11224	0.9
177.12715	1.2
183.11696	1.9
185.13266	1.3
187.11159	1.9
187.13252	1.2
187.14825	1.2
189.12767	0.9
193.12170	0.7
197.13216	2.3
201.16486	0.7
203.14366	0.6
215.14307	0.7
215.17976	1.1
219.17479	8.2
229.15723	0.6
229.19553	5.1
233.15337	1.1
239.17978	2.4
247.20532	2.1
257.19022	13.9
275.20068	100.0
276.20410	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.57093	0.7
55.01871	1.5
55.05513	10.0
55.33050	0.5
57.03176	0.9
57.03436	10.2
57.07068	1.4
66.29424	0.5
67.05158	1.1
67.05500	11.7
69.07073	6.6
69.63817	2.1
71.04989	1.5
76.90352	0.6
79.05492	14.5
81.06626	0.9
81.07060	12.6
83.04990	1.1
83.08617	3.3
85.06551	2.1
88.07632	0.8
91.05483	26.6
91.06057	1.3
93.07046	14.4
93.07603	1.0
95.04968	2.6
95.08607	10.2
97.06527	2.7
97.10138	1.3
99.08109	1.2
103.05453	1.2
105.07030	37.3
107.04957	2.5
107.08595	10.7
109.06511	3.3
109.10141	3.8
111.08081	1.5
113.05990	1.0
115.05425	0.6
117.07010	11.4
119.08582	27.5
121.06470	1.5
121.10141	5.8
123.08057	1.9
123.11682	0.7
125.09641	0.9
127.07610	1.0
127.14812	0.6
128.06230	1.0
129.06999	4.8
131.08572	12.0
133.10129	21.7
135.08038	2.6
135.11699	2.7
137.09619	1.0
141.07014	1.1
143.08559	4.3
144.26109	0.7
145.10130	9.8
147.08029	2.1
147.11681	21.6
149.09625	8.1
149.13225	1.4
151.11200	1.2
155.08598	0.9
157.10121	4.0
159.11711	11.7
161.09618	1.7
161.13269	6.1
163.11240	3.8
169.10085	2.1
171.11708	1.9
173.13243	4.8
175.11171	1.1
175.14839	2.3
177.12737	1.4
183.11649	3.1
185.13252	13.8
187.14867	0.8
191.14285	1.2
197.13231	3.0
201.12704	1.1
201.16449	3.2
203.14323	10.3
211.14868	0.8
219.17441	6.7
224.62735	0.6
229.16061	0.6
229.19490	1.7
239.17899	5.8
247.20456	1.0
257.18967	14.9
274.27408	1.1
275.20062	100.0
275.27701	4.1
276.20398	3.8
284.30145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03945	4.3
55.01617	1.0
55.01872	16.7
55.05260	1.4
55.05513	23.3
57.03432	1.9
57.07074	4.5
57.11342	0.6
65.03925	1.2
67.05505	29.8
69.03426	2.5
69.06716	0.8
69.07072	14.5
71.04990	2.4
71.08625	2.4
77.03915	1.5
79.05040	1.4
79.05492	25.1
81.03417	11.1
81.06570	0.9
81.07056	27.4
83.04977	6.6
83.08617	7.9
85.06542	3.4
91.05479	33.0
93.07048	25.1
95.04416	1.3
95.04972	16.9
95.08018	1.3
95.08606	20.4
97.06505	4.4
97.10173	6.0
99.08089	2.0
103.05462	1.5
105.04507	1.4
105.07028	25.4
105.07739	1.3
107.04250	1.1
107.04958	19.6
107.08589	13.7
109.06517	11.9
109.10151	9.0
111.08070	2.8
113.09650	0.7
115.05423	0.8
117.07018	12.8
119.08583	26.0
120.08953	0.9
121.06504	13.2
121.10144	9.2
123.04428	2.9
123.08064	11.6
123.11698	1.3
125.09637	14.4
128.06235	1.1
129.07028	3.4
130.07791	0.8
131.08566	18.2
131.52837	0.6
133.06505	4.0
133.09166	1.3
133.10133	16.9
135.08055	17.0
135.11676	4.7
137.09619	16.8
138.09962	0.8
139.07582	0.8
139.11171	1.5
141.07014	2.7
143.08557	2.3
145.06482	2.0
145.10129	12.4
147.08081	4.9
147.11676	9.3
149.05984	1.0
149.09615	7.3
149.13261	2.4
151.11168	6.6
153.12837	0.9
155.08533	2.2
157.10130	3.3
159.08070	3.3
159.11682	9.3
161.09642	3.4
161.13234	3.4
163.07559	0.8
163.11183	7.4
163.14799	2.0
165.09114	4.2
165.12740	2.7
167.10878	0.7
169.10124	4.3
171.11685	1.6
173.09639	5.0
173.13275	7.6
175.11191	1.9
175.14847	2.0
177.09135	2.7
177.12727	11.7
179.10701	2.0
179.14351	1.9
183.11629	3.6
185.13303	1.1
187.11198	3.9
187.14725	1.2
189.12794	2.2
190.68649	0.7
191.10675	1.8
191.14310	8.9
193.12238	2.7
197.13297	2.1
201.12726	3.3
201.16508	1.6
204.52985	0.6
205.12242	1.7
205.15929	0.7
213.16534	0.8
215.14349	1.7
215.18051	3.0
219.13855	0.9
229.15845	1.0
229.19524	6.7
231.17586	0.9
239.17993	5.6
247.20551	4.8
257.19012	23.9
275.20065	100.0
275.27661	4.2
276.20410	3.5
288.12979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2735
Annotation	Kaurane
Peak:m/z	Relative Intensity
51.37048	0.5
53.03940	1.0
55.05511	11.5
57.07078	7.3
67.05501	24.0
69.07066	25.1
70.70721	1.1
71.08633	3.6
79.05482	9.4
81.07054	100.0
82.07412	0.8
83.08614	11.0
85.10172	1.8
91.05495	3.1
93.07043	10.9
95.08602	80.5
96.08901	1.4
97.10168	8.3
105.07020	2.4
107.08588	16.3
109.10153	49.0
110.10472	1.2
111.11712	8.0
119.08547	1.4
121.10143	10.3
121.68851	0.5
123.11704	21.3
125.13271	1.7
131.08575	0.8
135.11702	7.5
137.13240	11.0
138.13554	0.6
143.87631	0.6
147.11674	1.0
149.13248	9.9
151.14822	5.2
161.13345	0.5
163.14818	6.4
165.16449	3.3
177.16371	2.3
179.17888	1.5
190.92398	0.6
191.17976	1.0
205.19527	1.8
219.21065	1.5
275.19974	1.6
275.27347	49.2
276.27625	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
62.91139	0.1
63.02079	0.1
63.02405	0.4
74.94723	0.1
78.04723	0.3
86.92316	0.1
89.03910	5.2
89.04461	0.3
90.04255	0.1
91.03673	0.1
91.05484	0.4
95.04955	0.1
103.05486	0.2
106.04189	0.4
117.03379	19.7
118.03774	0.3
121.06481	0.2
134.03641	1.5
134.98074	0.1
135.04424	0.8
145.02843	55.1
146.03154	0.8
147.04395	0.3
149.05972	7.3
150.06284	0.2
160.91101	0.1
162.03192	0.3
163.03922	0.4
177.05464	100.0
178.05795	1.9
186.05484	0.5
248.12790	0.5
276.12228	0.8
277.15479	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.1
53.94491	0.1
56.96567	0.2
63.02100	0.2
63.02400	0.4
67.05517	0.2
69.07074	0.4
69.77280	0.3
69.77673	0.2
70.06586	0.5
77.03905	0.2
78.04731	0.2
82.06583	0.3
83.04997	0.4
84.08147	0.5
86.09706	2.6
89.03912	5.2
91.05482	0.6
93.07055	0.2
95.05000	0.2
98.22711	0.2
98.97583	0.6
100.07615	0.3
103.05458	0.3
105.03410	0.2
106.04168	0.5
116.98631	0.3
117.03377	19.8
118.03696	0.2
124.05225	0.2
128.07050	0.2
131.60603	0.1
133.02863	0.3
134.03621	1.8
134.99619	0.2
135.04419	1.1
145.02843	50.6
146.03154	1.0
147.04373	0.7
149.05980	7.3
150.05418	0.2
163.03923	0.4
170.93710	0.2
172.95253	0.2
176.07146	0.2
177.05464	100.0
178.05843	2.1
186.05489	0.4
192.06613	0.7
204.06487	0.2
211.81180	0.1
229.01738	0.2
235.12738	0.1
245.12874	0.3
248.12804	0.9
252.95819	0.2
258.20715	0.2
260.09210	0.7
260.12769	0.7
275.97693	0.2
276.12335	0.8
276.15942	0.4
276.21512	0.4
277.15463	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
57.21730	0.3
59.04984	0.4
67.05510	0.4
69.61131	1.1
79.05476	0.5
81.07020	0.4
89.03911	4.8
91.05532	0.6
93.07033	0.5
95.08559	0.4
98.97547	0.5
103.04839	0.3
103.05482	0.4
106.04189	0.7
109.10122	0.4
114.87579	0.3
116.98621	0.4
117.03379	20.3
117.41496	0.4
119.04964	0.4
121.06459	0.3
121.10185	0.5
134.03635	1.5
135.04413	0.8
145.02846	53.8
146.03221	0.9
149.05980	7.5
162.03253	0.5
177.05467	100.0
178.05833	2.6
186.05496	1.5
252.96016	0.4
259.13525	0.9
276.12305	1.3
276.19354	0.7
276.21918	0.4
277.21655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2173
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
53.19190	0.6
55.05515	3.4
56.05030	1.6
57.03433	2.1
57.07071	1.0
60.04250	1.0
60.04531	10.4
62.35785	0.6
67.05508	6.1
68.05035	1.9
69.03439	0.7
69.07074	4.8
69.16624	4.0
70.04104	0.8
70.06590	3.0
71.04997	1.9
72.04527	1.7
75.04727	0.7
79.05502	3.7
80.05019	9.5
80.19095	0.6
81.07065	7.2
82.06589	4.3
83.04989	1.2
83.08614	2.1
84.04526	1.0
84.08134	1.7
85.06559	0.9
91.05514	1.3
93.07044	4.3
94.06565	3.9
95.08623	3.3
96.08118	0.9
98.06047	1.4
98.23450	1.3
98.97611	2.2
107.08592	2.2
109.10157	1.6
116.98618	1.5
117.98861	0.7
119.08586	0.9
124.07600	1.0
130.96696	0.6
131.95863	0.7
145.02841	3.5
149.13242	1.0
166.15919	2.9
172.16997	0.9
177.05499	6.3
184.16945	9.2
201.69475	0.9
202.05901	0.9
202.18016	14.3
204.17560	1.0
210.18513	1.3
222.18523	8.0
240.19589	8.6
252.96004	0.8
258.20721	10.6
275.97900	1.2
276.21722	100.0
277.10464	41.8
277.22040	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	276.2172
Annotation	Ametoctradin
Peak:m/z	Relative Intensity
55.05508	4.3
56.05019	1.7
57.03431	4.6
58.06597	13.1
59.04980	1.9
60.04535	1.8
66.31003	1.3
67.05502	13.5
68.28829	1.4
69.07083	8.7
70.06582	9.2
71.05002	3.7
71.46889	2.0
74.06062	5.1
75.74723	1.6
79.05497	5.4
81.07057	22.9
83.08626	2.9
84.08128	1.6
85.06536	5.1
86.09690	1.6
91.05511	4.1
92.97400	1.6
93.07041	4.4
95.08609	22.0
97.06546	2.0
98.06079	2.5
98.97585	3.6
105.07016	2.1
107.08601	3.3
109.06518	1.6
109.10169	4.1
116.98618	2.0
121.10134	4.7
123.11700	2.0
131.08604	2.1
133.10139	3.3
137.05940	2.8
145.02838	4.6
158.76331	1.7
168.75206	2.1
177.05432	11.0
183.13792	2.2
196.38931	1.7
201.14862	3.8
209.72421	1.8
222.18533	20.2
223.16827	1.9
240.19572	26.3
246.18759	1.8
258.20660	16.3
266.61484	1.7
276.12646	2.7
276.21732	100.0
277.22058	4.0
288.92480	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09408	1.2
55.05506	5.8
56.05041	1.4
57.03432	5.0
58.06603	10.9
67.05505	11.5
69.07069	6.5
69.21999	1.4
70.06599	11.7
71.04959	2.4
74.06071	2.8
79.05488	5.1
81.07053	24.9
83.04944	1.4
83.08624	3.6
84.08144	1.8
85.06524	4.6
86.09727	1.9
91.05468	4.1
93.07047	4.5
95.08607	20.2
97.10144	1.8
98.97591	3.3
105.07006	4.1
107.08607	3.0
109.10139	4.4
111.08081	1.7
116.98615	1.6
117.03383	1.2
118.82274	1.3
119.08555	1.7
121.10120	3.6
123.05960	1.5
135.11687	2.4
145.02840	4.3
147.11688	4.1
165.12708	1.7
172.95273	1.6
177.05472	5.7
183.13824	1.8
201.14890	2.3
222.18506	14.9
223.16966	1.9
230.57779	1.3
240.19559	29.0
258.20642	16.9
259.13361	2.4
276.12201	2.7
276.21701	100.0
277.22049	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	276.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05507	3.1
56.05034	2.1
57.03432	2.6
57.07083	0.7
58.06590	0.6
60.04246	0.8
60.04530	9.4
60.04810	0.4
65.03946	0.6
67.05165	0.4
67.05507	6.5
68.05010	0.8
69.03424	1.5
69.07071	5.4
69.45008	2.2
70.06593	2.4
70.49744	0.4
71.04987	1.6
71.08624	0.5
72.04517	1.5
72.08160	0.4
74.06090	0.8
77.02790	0.4
79.05505	2.8
80.05018	6.4
81.03408	1.0
81.07056	6.2
82.06576	4.5
83.04987	1.0
83.08611	1.8
84.08117	0.6
86.06081	0.9
86.09681	0.6
90.05572	0.6
91.05482	0.8
93.07037	3.5
94.06579	3.4
95.08611	3.6
96.04496	0.7
96.08121	1.5
97.06520	1.1
98.06052	1.7
98.97594	1.1
100.07701	0.5
105.06978	0.5
106.06594	0.5
107.08592	1.7
109.10155	1.5
110.06038	0.9
110.09722	0.5
121.10120	0.8
123.11727	0.5
124.07594	1.0
132.06586	1.8
134.09666	0.7
138.09137	0.6
145.02824	0.6
147.04422	0.5
149.13275	1.2
166.15900	3.2
177.05469	0.8
184.16957	12.1
186.18578	0.5
192.17519	0.9
202.18015	9.1
204.17516	0.9
210.18503	1.0
214.18062	0.6
222.18492	8.6
240.19588	8.5
258.20645	13.2
276.21707	100.0
277.15549	0.9
277.21936	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	276.2324
Annotation	Hazaleamide
Peak:m/z	Relative Intensity
55.05511	0.8
57.07084	2.6
67.05502	1.9
69.07066	1.3
70.53777	0.9
71.08637	5.2
79.05485	5.1
81.07063	3.5
81.50188	0.5
85.10175	2.4
91.05498	0.7
93.07034	1.5
95.04968	1.3
95.08609	3.2
97.10149	0.6
98.97575	0.5
103.05437	2.4
105.07029	100.0
106.07357	2.1
106.94466	0.5
107.08487	0.6
110.68538	0.4
112.89571	0.4
119.08590	0.9
122.09669	41.3
123.09993	0.8
125.59234	0.4
132.45245	0.6
135.11671	0.9
146.09552	0.4
149.02380	0.6
155.14337	1.7
170.88954	0.5
172.16948	1.1
186.88309	0.5
208.65410	0.5
218.87402	0.5
268.66422	0.5
276.23221	48.0
277.21567	1.7
277.23996	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52675	0.4
54.71849	0.4
56.41892	0.4
56.96569	8.1
56.96856	0.3
70.63901	0.6
70.95840	0.6
71.95275	0.5
98.97585	100.0
115.28275	0.4
116.98626	50.3
119.01948	1.0
120.67307	0.5
121.00751	0.4
134.99663	13.9
140.00163	0.4
153.00774	0.6
158.01228	0.7
158.61359	0.4
163.03876	0.9
179.00768	1.2
192.94817	0.5
195.36266	0.4
205.02332	1.5
210.95932	0.8
216.98817	0.7
234.95848	0.8
234.99812	1.0
235.03307	0.5
240.98624	5.2
247.03084	0.4
252.96999	1.2
258.99771	68.6
259.99875	3.3
277.00815	80.9
277.07562	2.9
278.01025	4.3
282.01306	0.9
294.98138	2.2
295.01974	0.5
295.05466	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0323
Annotation	selenoneine
Peak:m/z	Relative Intensity
55.37805	6.7
70.74579	11.4
72.91093	7.4
111.23336	7.4
119.98668	6.5
161.02963	6.9
164.57016	6.9
239.05095	6.8
277.03238	100.0
277.06717	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	277.1798
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03940	0.3
55.01871	9.5
55.02142	0.5
55.05512	4.1
55.32496	0.2
57.07083	1.4
57.84535	0.2
65.03951	0.5
65.35170	0.2
67.05506	4.6
67.28011	0.2
69.03416	0.6
69.07072	3.1
69.75334	0.8
70.06596	0.6
71.04985	0.4
71.06946	0.4
71.08636	0.4
79.05495	7.2
81.07059	36.9
82.07396	0.5
83.04987	2.2
83.08630	1.3
88.07624	0.6
89.07986	0.2
91.05491	2.3
93.07048	4.5
95.04951	0.4
95.08614	5.6
97.06536	0.9
99.04462	0.4
101.09651	0.2
105.07047	3.0
106.08725	0.3
107.08587	4.1
109.06525	13.9
109.10170	2.5
111.04447	13.0
111.08059	0.6
117.07059	0.3
119.08589	3.9
121.06487	0.3
121.10170	3.2
123.08090	1.6
123.11713	1.7
125.05994	3.8
125.09644	0.6
129.07048	0.3
131.08543	1.4
133.06552	0.3
133.10139	3.6
135.08069	2.2
135.11696	2.8
137.05983	100.0
137.13214	1.4
138.06287	1.9
139.07532	0.7
142.07814	0.3
142.97379	0.3
143.08569	1.1
145.10106	1.3
147.08073	1.3
147.11685	4.7
149.09631	3.4
149.13248	1.8
151.07538	2.6
151.11177	0.9
157.10185	1.3
159.08211	0.2
159.11682	0.7
160.08865	0.3
161.09616	4.6
161.13269	1.6
163.07515	0.4
163.11139	2.2
163.14818	0.7
165.09119	1.8
165.12776	0.3
167.10674	0.8
171.11685	0.8
175.11189	3.9
175.14825	1.0
177.09184	0.4
177.12712	0.6
179.10689	2.0
181.12263	0.4
185.13307	0.6
189.12761	0.7
191.10771	0.2
193.12184	1.3
203.14322	0.3
203.17928	5.2
205.19518	0.4
213.16393	1.7
221.19081	1.4
223.14830	0.5
231.17444	7.6
241.15898	1.1
249.18530	5.1
258.27066	0.3
259.16940	0.4
276.28018	4.3
277.18005	9.1
277.28302	4.6
278.18323	0.4
295.18985	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1801
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	1.0
55.01867	8.7
55.05303	0.4
55.05516	5.2
57.07062	1.5
59.04974	0.4
62.39515	0.4
67.05506	5.3
69.07060	4.3
69.84645	1.3
71.05005	0.5
79.05492	7.3
81.07059	32.6
83.04993	1.9
83.08617	1.7
85.06559	0.7
91.05488	3.2
93.07043	4.6
94.07377	0.6
95.04968	0.8
95.08598	6.0
97.06538	1.0
98.97611	0.6
104.99308	0.7
105.07034	3.5
107.08598	4.1
109.06521	12.4
109.10175	2.7
111.04446	12.9
111.08073	0.8
111.87545	0.4
117.07036	0.6
119.08585	4.0
121.10121	3.5
123.08064	1.2
123.11752	0.7
125.05974	4.0
125.93723	0.4
129.06963	0.6
131.08566	1.2
133.10118	3.6
135.08025	2.4
135.11700	3.5
137.05980	100.0
137.09604	1.2
137.13255	1.3
138.06288	1.9
140.57735	0.5
143.08582	0.9
145.10120	1.6
147.08063	1.3
147.11693	4.4
149.02350	0.8
149.09624	2.8
149.13284	1.5
151.07529	2.5
151.11188	1.1
156.09439	0.5
156.83653	0.4
157.10147	1.8
159.11691	0.5
161.09627	5.3
161.13312	1.9
163.11200	2.2
163.14893	0.6
165.09091	2.4
165.12787	0.4
167.10727	0.6
171.11778	0.9
173.09645	0.4
173.13272	0.8
175.05893	0.4
175.11212	3.9
175.14888	1.2
177.08997	0.6
177.12816	0.5
179.10689	1.7
181.12296	0.7
185.13403	0.6
189.07253	0.5
189.12764	1.4
193.12297	0.9
203.17941	4.8
205.15871	0.8
207.13771	0.8
213.16382	2.1
221.19011	2.1
223.28296	0.4
231.17438	8.3
235.13203	0.7
241.15836	0.9
249.18491	4.6
259.20300	0.8
277.17993	9.9
277.21497	2.9
278.17798	0.8
295.19019	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.18
Annotation	[6]-Shogaol
Peak:m/z	Relative Intensity
53.03946	0.8
55.01867	9.4
55.05511	4.1
57.07067	0.9
65.03925	0.5
67.05509	3.9
69.07069	3.3
69.91933	0.9
71.83991	0.3
79.05496	6.8
81.07058	33.8
83.04961	1.1
83.08632	0.9
83.93456	0.3
91.05471	1.9
93.07043	4.6
95.04972	0.7
95.08607	4.8
97.06530	0.8
103.42315	0.3
104.99255	0.6
105.07039	2.6
107.08601	4.4
109.06521	12.7
109.10168	2.4
111.04448	12.1
111.08101	0.6
116.53021	0.4
119.08569	3.7
121.06508	0.6
121.10171	3.0
123.08066	1.2
123.11711	1.0
125.06000	3.7
131.08565	1.5
131.80803	0.3
133.10132	3.3
135.08083	2.4
135.11697	4.3
137.05978	100.0
137.13271	1.5
138.06375	1.2
142.07762	0.6
143.08556	0.8
145.10123	0.9
147.08052	1.2
147.11685	4.0
149.09608	3.5
149.13280	1.0
151.07559	2.6
151.11226	1.0
157.10164	0.9
159.11717	0.9
161.09602	4.2
161.13284	1.6
163.11180	2.7
163.14815	0.7
165.09119	1.9
167.10704	0.6
171.11784	0.8
173.13318	0.5
175.11183	3.6
175.14839	1.1
177.09061	0.6
177.12779	0.4
179.10709	1.5
189.12701	0.8
193.12254	0.9
203.17976	4.5
205.19524	0.6
207.13739	0.4
213.16344	2.4
221.18910	1.9
223.14824	0.6
231.17456	7.3
241.15871	1.0
247.94781	0.4
249.18507	4.5
250.18381	0.4
277.18011	10.0
277.21588	1.4
278.17624	0.5
295.19119	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2165
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.01609	0.7
52.36071	0.4
53.03947	5.2
55.01868	2.8
55.05256	0.9
55.05515	16.5
57.03441	1.2
57.07083	4.7
65.03947	1.3
66.15714	0.4
67.05508	28.7
69.03438	1.6
69.07071	20.8
69.32338	2.1
70.07381	0.5
71.05013	2.3
71.08628	5.2
73.06541	1.3
75.36099	0.4
77.03933	1.2
79.05499	45.3
80.05838	0.6
81.03420	18.0
81.03902	0.9
81.07060	33.6
83.04985	5.9
83.08619	10.0
85.06542	2.9
85.10182	0.5
91.05482	24.0
91.78362	0.4
93.07050	68.2
94.07377	1.3
95.04972	19.9
95.08607	18.0
96.08936	0.5
97.06554	2.8
97.10181	3.7
99.08114	2.5
101.06063	0.5
105.04523	2.3
105.07034	19.8
105.07738	1.1
107.04961	2.1
107.08597	29.8
108.05750	0.6
109.06521	4.3
109.10163	9.6
111.08076	2.0
113.09629	0.6
113.84788	0.5
117.07018	5.1
119.08585	12.3
121.06520	3.3
121.10150	14.0
122.10526	0.5
123.08091	2.9
123.11739	2.7
125.09666	3.3
128.06242	0.5
129.07022	3.7
131.08569	4.6
133.10138	10.9
134.10493	0.6
135.08083	2.2
135.11697	13.1
137.09619	1.4
137.13254	1.7
143.08574	3.3
145.10132	3.4
147.08141	1.0
147.11693	13.3
149.09608	1.2
149.13266	13.4
151.11179	10.8
153.09096	1.0
157.10143	2.1
159.11699	2.0
161.09619	1.5
161.13269	11.6
163.11185	1.4
163.14851	6.4
165.09158	0.7
165.12776	3.4
171.10295	0.9
171.11691	5.1
173.11917	0.8
173.13231	2.8
175.11179	1.6
175.14816	4.5
177.12776	2.0
177.16490	0.8
179.14262	2.4
181.12251	1.1
185.13292	3.8
189.12755	2.9
189.16454	0.8
192.96135	0.5
193.12248	2.0
195.13835	0.9
199.14842	2.0
203.14346	1.3
207.13756	4.2
213.16432	0.9
215.17981	0.5
217.15924	1.0
217.19548	2.2
221.15358	4.2
231.17453	1.9
231.21103	3.6
235.16914	2.0
241.19444	6.5
249.22163	2.1
259.20566	4.7
277.21631	100.0
278.17538	2.9
278.21994	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03940	2.0
55.01867	2.9
55.05510	18.7
57.03439	1.8
57.07070	3.3
57.76661	0.4
58.44352	0.4
59.05007	0.8
64.91509	0.4
65.03927	2.1
67.05505	43.7
68.05833	0.5
68.18126	0.3
69.03423	0.9
69.07069	16.6
71.04987	3.0
71.08630	30.7
73.06598	0.9
77.03942	1.9
79.05490	63.1
80.05827	1.1
81.03416	6.7
81.07055	57.2
82.07360	0.5
83.04981	7.1
83.08617	10.9
84.08985	0.4
85.06537	2.8
91.05478	31.4
93.07041	96.0
94.07359	2.3
94.96035	0.4
95.04966	13.7
95.08604	38.0
96.08920	0.7
97.06529	6.1
97.10172	4.2
99.08089	22.9
103.05453	0.5
105.04524	3.2
105.07027	19.6
107.04946	4.8
107.08590	52.5
108.08902	1.3
109.06512	3.8
109.10151	10.4
111.08099	1.4
113.09662	2.3
117.07008	4.1
119.06070	0.8
119.07740	0.9
119.08578	13.9
120.08874	0.5
121.06519	1.5
121.10140	44.3
122.10456	1.3
123.08062	2.4
123.11689	2.3
125.09597	0.7
127.07518	0.9
127.11238	0.5
129.07025	2.3
131.08582	5.1
133.06538	0.6
133.10123	10.9
135.08119	0.9
135.11688	50.9
136.12050	1.5
137.09608	4.5
137.13260	0.9
139.11208	1.0
141.09128	3.1
143.08546	2.5
145.10127	4.5
147.08064	0.5
147.11691	6.4
149.09615	1.0
149.13246	16.3
150.13562	0.6
151.11189	12.0
151.12398	0.6
153.09044	0.5
153.12740	1.2
157.10132	2.0
159.11699	3.9
161.09615	1.2
161.13255	9.2
163.11177	5.4
163.14835	3.2
165.12733	1.6
167.09363	0.4
167.10655	2.7
171.11678	2.8
173.13287	2.0
175.11244	0.8
175.14781	2.5
177.12717	3.0
177.16417	0.6
179.14304	40.9
180.14610	0.9
181.12202	1.6
185.13251	2.4
189.12802	2.3
191.14331	0.7
193.12299	0.7
193.15868	0.5
195.13828	1.3
199.14835	2.0
203.14297	1.0
207.13841	1.5
209.15347	0.9
213.16367	1.1
217.15872	0.8
217.19502	0.8
221.11615	0.4
221.15382	4.9
231.17493	0.8
231.20952	0.7
235.16896	3.3
241.19550	2.1
259.20560	5.3
277.21616	100.0
278.17474	4.1
278.21964	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03949	21.0
55.01868	9.7
55.05510	32.3
57.07078	7.5
67.05157	4.3
67.05506	68.8
69.07072	39.2
69.38857	11.5
71.08640	13.0
79.05494	48.9
81.03420	67.9
81.07059	68.0
83.04549	2.7
83.04978	18.6
83.08623	10.9
85.06546	4.0
85.10208	4.5
91.05475	33.4
91.06002	4.3
93.07043	70.2
95.04408	4.6
95.04967	47.4
95.05530	4.4
95.08611	32.2
97.06568	4.5
97.10180	7.3
98.22771	4.9
99.08105	10.8
105.07026	29.8
107.08592	34.9
109.06493	12.3
109.10157	18.8
111.08045	4.5
113.09654	3.0
117.07030	8.1
119.08616	18.9
121.06541	3.2
121.10146	16.6
123.08086	3.0
123.11720	7.2
125.09665	6.9
129.06985	5.2
131.08583	6.6
133.10135	24.3
135.08112	5.8
135.11719	13.6
137.09619	3.0
138.19542	2.2
139.45381	2.3
143.08545	3.4
145.10130	5.5
147.11681	16.5
149.09593	5.1
149.13264	8.6
151.11174	45.8
153.09120	4.0
157.10167	3.0
159.11710	3.5
161.13258	15.4
163.14766	5.0
165.12775	12.6
171.10349	2.4
171.11746	7.9
173.11771	3.3
175.11182	3.1
175.14816	6.5
179.14336	8.6
185.13274	3.5
189.12631	5.1
193.12254	3.1
207.13820	6.7
217.19537	3.6
221.15546	3.2
231.21085	12.1
234.91112	2.8
241.19504	4.3
249.22083	5.9
259.20532	11.8
277.21634	100.0
278.17612	6.0
278.21829	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	277.2164
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03956	1.4
55.01857	2.7
55.05262	0.9
55.05513	14.9
57.03437	18.8
57.07072	2.0
65.03919	1.3
67.05506	32.5
69.03412	1.1
69.06707	0.9
69.07068	14.4
69.26115	1.2
69.26525	2.5
70.23862	0.7
71.04987	2.2
73.06577	0.8
77.03918	1.2
79.05496	48.5
80.14828	0.7
81.07057	44.0
82.07413	1.1
83.04961	3.5
83.08620	8.6
85.06551	4.1
91.05480	24.6
93.07045	64.1
94.07370	0.7
95.04970	6.7
95.08607	39.6
96.08863	0.7
97.06573	3.3
97.10164	4.2
99.04454	0.8
99.08095	3.3
104.99254	1.1
105.04514	2.0
105.07031	19.6
107.04942	1.6
107.08593	43.0
108.08908	1.0
109.06534	8.4
109.10165	13.0
111.04469	1.3
111.08083	3.1
111.11710	0.8
113.05982	1.1
113.09595	1.7
117.07028	5.8
119.08585	16.0
121.06534	0.9
121.10146	36.4
122.10416	1.0
123.08062	5.2
123.11731	4.2
125.06021	0.7
125.09618	1.8
127.07545	1.0
129.06998	2.8
129.86133	0.6
131.08578	11.1
133.10130	13.6
133.11121	0.8
135.08028	2.0
135.11690	35.0
137.05991	12.6
137.09618	4.0
137.13235	1.0
139.11182	1.1
141.09113	1.3
143.08563	3.4
145.10143	10.5
147.11685	10.3
149.02264	0.9
149.09607	3.0
149.13261	19.1
151.11177	2.7
153.12729	0.9
157.10114	1.3
159.11691	7.1
161.09605	1.8
161.13237	3.8
163.11205	2.5
163.14766	4.0
165.12758	2.5
167.10664	1.2
171.11749	3.2
173.13277	2.4
175.11157	1.6
175.14821	3.2
177.12759	1.3
177.16325	0.9
179.10693	0.7
179.14378	0.8
181.12212	2.5
183.11668	0.7
185.13249	3.1
187.14809	13.3
189.12767	1.3
191.14258	0.7
193.12262	1.0
194.94089	0.8
195.13818	1.8
199.14781	1.6
201.16400	1.0
203.14281	0.9
203.17915	2.4
205.15904	8.9
207.13805	2.0
213.16518	1.3
221.15396	1.6
221.19075	3.4
231.17342	1.2
231.21060	1.4
235.16895	1.8
241.19496	5.5
249.22076	1.3
259.20584	12.2
277.21631	100.0
278.17792	0.8
278.21933	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	277.2164
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.02359	0.5
51.86618	0.4
53.03941	1.8
55.01871	5.9
55.05510	14.5
56.83421	0.4
57.03430	1.6
57.03687	0.5
57.07082	3.2
59.05000	0.7
60.73851	0.5
65.03934	2.0
67.05502	34.6
68.05818	0.5
69.03430	1.1
69.06705	0.8
69.07066	13.8
69.78221	1.0
71.04994	3.4
71.08263	0.8
71.08627	10.3
73.06574	0.5
77.03929	1.4
79.05490	36.1
80.05779	0.5
81.03419	5.4
81.07054	36.1
83.04984	4.1
83.08614	7.5
85.02903	0.6
85.06533	3.0
85.10172	0.6
85.13622	0.4
91.05476	19.1
93.07042	51.7
94.07340	0.9
95.04965	10.9
95.08604	22.0
97.06528	4.8
97.10162	4.0
98.65028	0.4
99.08096	8.9
101.06030	0.5
103.05449	0.7
105.04505	1.9
105.07025	15.4
107.04958	4.1
107.08591	26.7
108.08912	0.7
109.06525	4.5
109.10149	10.8
111.04447	0.5
111.08076	4.7
111.11685	0.6
113.09629	0.8
116.14361	0.4
117.07022	4.3
119.08579	12.4
121.06496	2.1
121.10146	17.0
123.08048	2.8
123.11704	3.6
125.09610	2.3
129.07037	2.4
131.08548	4.7
133.06500	0.8
133.09177	0.7
133.10129	11.2
134.89156	0.4
135.08119	2.1
135.11687	19.1
137.09622	3.5
137.13254	1.4
139.07516	0.5
139.11176	1.7
141.12729	1.3
143.08533	2.9
145.10136	5.1
147.08064	1.2
147.11681	8.7
149.09573	1.3
149.13251	12.0
151.11156	8.1
151.12270	0.7
153.09146	0.6
153.12749	0.9
157.10146	2.0
159.11705	3.0
161.09608	1.9
161.13257	7.5
163.11186	8.1
163.14798	3.9
165.09148	0.6
165.12720	3.7
167.10652	0.9
167.14288	0.6
169.12233	0.7
171.11658	3.7
173.11765	1.0
173.13257	1.8
175.11119	2.0
175.14818	4.0
177.12750	1.9
177.16336	0.9
179.10672	1.0
179.14317	4.6
181.12216	1.0
185.13234	3.6
187.14801	0.5
189.12717	1.6
189.16360	0.9
191.14493	0.5
193.12331	1.3
193.15828	1.1
195.13774	1.1
196.86809	0.4
199.14821	2.3
203.14282	1.1
207.13799	2.3
217.19534	1.6
221.15327	4.1
231.17389	1.0
231.21039	3.0
235.16907	1.6
241.19513	4.8
249.22133	2.9
259.20572	11.2
277.21616	100.0
278.17407	0.9
278.21939	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	278.1753
Annotation	7alpha-Hydroxyphlegmariurine B
Peak:m/z	Relative Intensity
51.02389	0.6
53.03942	0.8
55.01870	0.5
55.05500	1.3
56.05034	5.4
57.03447	0.8
57.07073	6.5
58.06602	7.4
60.04525	17.6
65.03947	3.1
67.05195	0.5
67.05500	3.0
68.05022	5.3
69.03413	1.7
69.07082	0.6
70.01283	0.6
70.01617	1.0
70.06583	3.9
71.05000	0.6
71.08639	2.6
72.04514	1.9
72.08148	2.1
72.47672	0.5
74.06076	3.6
77.03920	0.7
79.05492	4.8
80.05017	3.4
81.07031	0.6
82.06572	1.1
83.04976	0.8
84.08170	0.6
86.06062	5.0
87.04464	1.1
88.07632	25.7
90.05555	4.9
91.05480	10.0
92.25304	0.5
93.03394	5.8
93.07053	1.4
94.06575	1.2
95.04978	3.6
98.06064	2.2
100.07603	1.6
103.05474	1.5
104.07114	4.0
104.99265	3.2
105.04521	0.8
105.07037	3.4
106.06541	1.2
107.08625	0.7
108.08086	0.5
115.05459	5.3
116.06276	1.3
116.07104	2.9
116.98564	0.6
117.05768	0.7
117.07023	3.7
118.08656	1.6
119.08575	0.6
120.08141	1.2
121.02858	1.4
121.06512	0.7
128.06219	7.6
129.07008	6.1
130.06525	0.9
130.07751	0.7
131.07405	0.6
131.08546	2.5
132.08098	1.4
132.10197	7.5
134.09637	0.8
141.06979	6.0
142.07770	2.3
143.07298	0.9
143.08585	1.5
144.08041	1.3
145.06468	1.0
145.08960	0.5
145.10117	0.8
149.02338	29.6
151.38945	0.5
152.06186	1.3
152.10654	0.9
153.06998	6.9
154.06642	0.7
154.07755	3.0
154.15912	0.6
155.05991	0.6
155.08450	2.7
156.08099	1.2
156.17596	0.6
157.08807	0.6
157.10063	0.8
158.09660	1.2
162.11273	2.6
165.06976	3.7
166.07741	1.3
166.10759	2.4
167.07361	1.2
167.08556	2.3
168.08043	1.5
168.09283	0.7
169.10167	0.8
170.09666	1.9
171.10303	0.9
177.00722	0.9
177.05400	1.0
178.07784	1.0
179.08562	1.4
181.10129	0.6
182.09689	1.6
183.11690	0.6
186.18536	33.4
187.18811	0.5
191.08556	0.8
192.09404	0.6
194.09619	1.1
196.11230	0.9
198.12698	0.6
198.18538	0.9
208.11256	1.1
210.12749	0.7
211.13367	0.6
212.14372	0.8
216.13841	0.6
224.14404	0.9
230.21150	12.7
242.15366	6.6
259.63690	0.5
260.16470	19.6
260.22266	1.4
261.16910	0.8
278.09070	1.2
278.17563	27.2
278.23254	100.0
279.23630	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	278.952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07075	6.2
58.19227	1.0
64.03165	1.1
70.27026	2.3
70.27345	1.3
72.12665	1.2
79.92448	1.0
90.60925	1.0
113.82977	1.1
114.89359	5.2
121.02825	1.7
129.22662	1.2
136.94028	28.0
149.02345	62.9
158.91246	8.9
161.02943	1.1
180.89343	32.2
192.73479	1.4
196.86736	100.0
208.64384	1.2
278.95224	1.4
296.87405	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.9519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79675	0.7
56.12932	0.7
56.96562	3.4
57.07077	12.8
59.84026	0.8
69.44519	3.5
86.09688	0.9
98.92680	0.7
98.97586	72.7
100.02505	1.0
104.05330	0.9
104.10765	0.9
110.97570	16.4
112.89627	1.1
114.89339	3.6
116.98627	26.9
121.02885	4.3
126.78331	0.7
128.98610	13.4
134.99646	6.4
136.94035	26.5
146.99673	4.6
149.02345	100.0
150.02568	1.0
158.99657	31.6
161.02908	0.8
167.03365	1.9
168.31467	0.8
170.99680	8.5
176.93680	1.1
177.00722	34.2
189.00717	19.2
189.02449	1.1
194.03018	1.0
195.01819	2.3
196.87788	1.3
200.02292	1.3
207.01807	9.5
219.01840	3.8
221.01823	1.3
237.02832	4.4
238.01976	1.3
252.94659	2.6
256.03046	3.4
278.17551	1.9
278.95313	1.8
279.00296	0.7
279.03998	5.2
279.17316	1.2
280.09161	1.2
297.05045	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	4.9
57.07061	3.6
58.88548	2.0
69.81789	6.4
73.44616	2.1
74.79066	2.1
84.08106	3.1
98.97576	60.2
104.10728	6.1
108.13839	2.3
110.97564	15.2
112.89632	2.8
115.06210	2.6
116.98625	32.7
118.64337	2.0
121.02872	3.5
128.98599	16.4
134.00177	1.9
134.99664	11.9
136.93994	8.0
146.99620	5.9
149.02335	36.0
158.99649	25.7
170.99658	7.2
176.93768	2.7
177.00700	38.3
177.04129	2.2
189.00700	17.9
195.01802	4.4
206.72202	2.2
207.01724	15.3
219.01808	4.5
221.01839	7.8
237.02769	4.4
279.04733	100.0
279.09332	3.8
280.09296	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	279.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13618	0.3
52.83636	0.3
53.55092	0.3
55.01877	0.4
56.96568	0.7
57.07073	7.4
60.09441	0.3
60.52393	0.2
64.97417	0.3
65.03936	1.3
70.06600	0.3
70.57738	0.5
91.05476	4.1
91.50555	0.3
93.03393	0.4
94.88064	0.3
98.06037	1.1
98.97579	10.3
101.47061	0.3
104.07121	0.5
104.99258	0.5
110.97562	3.1
115.08668	0.7
116.07090	3.1
116.98621	3.7
119.04941	16.2
121.02838	2.7
121.04053	0.3
128.98616	2.4
134.99669	1.2
136.07549	0.4
145.02858	0.4
146.99667	1.2
147.04402	100.0
148.04771	2.2
149.02333	67.9
150.02696	1.0
158.99658	4.7
164.07111	1.6
164.50117	0.3
167.03354	0.7
170.99638	1.7
173.01427	0.3
177.00697	5.0
177.05493	1.1
189.00722	2.6
195.01732	0.6
200.02229	0.5
205.08630	1.2
207.01846	1.4
237.02771	0.5
250.10709	1.9
261.12329	0.7
262.10745	10.6
279.03809	0.6
279.13440	2.8
279.16589	0.5
280.79935	0.3
295.92014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80903	0.3
56.96560	0.6
57.07080	8.6
59.41256	0.2
64.29669	0.2
65.03934	0.7
69.73712	0.8
86.06055	0.5
91.05489	4.0
93.03385	0.4
98.06051	0.8
98.97589	11.8
98.98250	0.6
99.04453	0.3
99.08100	0.4
104.07097	0.6
110.97579	2.9
115.08679	0.8
116.07104	3.5
116.98622	4.5
119.04949	15.4
121.02875	2.4
121.03883	0.5
128.98625	2.0
133.09756	0.4
134.99623	0.7
136.07567	0.5
146.99673	0.8
147.04414	100.0
148.04736	2.3
149.02345	62.1
150.02713	0.7
158.99660	5.0
164.07120	1.5
167.03448	0.9
170.99635	1.6
177.00731	6.2
189.00742	2.8
195.01718	0.4
205.08736	0.7
207.01749	1.7
219.01788	1.1
221.61249	0.3
237.02888	1.0
250.10820	1.7
261.12372	0.9
262.10757	11.0
263.11179	0.4
279.03906	0.8
279.08987	0.4
279.13364	2.7
297.05106	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1704
Annotation	(-)-Mamanine N-oxide
Peak:m/z	Relative Intensity
57.07078	2.8
60.41720	0.3
69.07056	0.5
70.52190	0.4
70.52521	0.4
74.48415	0.2
84.08147	0.4
86.09705	8.1
89.03907	3.4
91.05511	0.6
98.97557	0.3
103.12343	6.3
106.04121	0.3
112.07596	0.3
117.03375	17.2
121.02857	1.0
129.10225	1.0
133.02773	0.3
134.03618	0.8
135.04396	0.8
145.02847	54.6
146.03156	1.0
147.04427	1.2
149.02344	18.8
149.04858	0.6
149.05963	6.4
150.02785	0.3
150.06303	0.3
151.37860	0.3
158.99718	0.5
177.05469	100.0
178.05811	2.5
186.05391	0.3
188.00224	0.3
262.14355	1.0
279.17029	26.2
280.17429	0.6
283.31866	0.3
288.27133	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1705
Annotation	(-)-Mamanine N-oxide
Peak:m/z	Relative Intensity
57.06817	0.8
57.07080	11.5
59.41646	0.4
65.03937	0.7
69.75108	0.9
69.75467	0.9
86.09702	3.4
86.99581	0.4
89.03884	2.5
98.97584	1.8
103.12350	3.6
104.99256	0.7
110.97533	0.7
116.98676	0.5
117.03388	15.6
118.03688	0.5
118.90260	0.4
121.02873	3.9
121.03910	0.8
124.92513	0.5
129.10283	0.8
130.02728	0.5
134.03677	0.6
135.04424	0.5
145.02850	50.9
146.03210	0.8
147.04425	1.2
149.02345	86.0
149.05942	5.3
150.02676	1.4
158.99677	0.8
163.03946	0.5
167.03389	1.2
177.05473	100.0
178.05806	2.1
205.08603	1.0
236.26604	0.5
262.14432	1.1
279.08716	0.6
279.17047	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03952	0.9
55.05514	9.0
57.03442	0.7
57.07082	5.3
58.11256	0.5
65.03941	3.1
66.25619	0.5
66.97403	0.5
67.05505	92.8
68.05849	1.2
69.07068	9.4
69.70332	1.0
69.70681	1.1
71.04988	1.4
71.08640	0.8
79.05492	11.5
81.07057	100.0
82.07370	1.5
83.04974	1.5
83.08635	5.7
84.01817	0.5
85.06540	1.5
91.05482	4.6
93.07050	11.3
95.04961	1.3
95.08607	76.8
96.08920	0.7
97.06561	1.1
97.10168	3.6
99.08085	0.6
101.06003	0.5
105.07035	2.9
107.08587	7.2
109.06493	0.7
109.10159	44.6
111.08082	0.8
111.11717	1.4
117.07030	1.4
119.08596	3.9
121.02879	1.6
121.06506	0.6
121.10136	7.1
123.08096	1.1
123.11710	24.7
125.09635	0.7
131.08571	3.6
133.10147	2.3
135.08086	1.4
135.11694	4.9
137.13254	9.0
139.11200	0.6
145.02760	0.9
145.10078	2.8
147.11690	2.3
149.02339	27.0
149.09579	1.7
149.13275	2.7
151.11154	1.1
151.14888	3.1
159.11705	2.1
161.13243	1.6
163.11211	1.5
163.14815	1.8
163.98997	0.5
165.12781	1.2
165.16388	1.3
167.10707	0.8
173.13234	3.0
177.05502	0.9
177.12759	1.7
177.16379	1.2
179.14337	1.2
181.12238	1.8
187.14783	2.5
191.14218	1.3
195.13853	2.1
195.41145	0.6
201.16379	0.8
205.15793	0.9
209.15421	2.6
223.16971	4.1
237.18558	1.2
243.21132	2.8
261.18213	0.5
261.22229	4.1
263.15448	0.6
267.55264	0.5
279.09378	0.7
279.23175	54.6
280.23483	1.9
280.26257	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.232
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
53.03942	0.3
55.01867	0.6
55.05511	9.0
57.03429	0.9
57.07072	2.8
58.65024	0.3
59.05011	0.4
59.41091	0.3
65.03939	2.7
67.05505	100.0
68.05835	0.9
69.03472	0.2
69.07067	9.2
69.28253	0.3
71.04998	0.9
71.08636	0.4
73.06579	0.4
77.03941	0.4
79.05492	11.8
79.05948	0.7
81.07056	99.0
82.07397	1.2
83.04983	1.3
83.08614	5.5
85.06535	1.4
87.04494	0.3
91.05470	3.7
93.07048	10.9
93.09216	0.3
95.04958	1.0
95.08606	81.3
96.08952	1.1
97.06519	1.1
97.10166	3.9
99.08092	0.5
103.30392	0.3
105.07027	3.5
107.08586	7.7
109.06535	0.8
109.10157	48.7
110.10526	0.6
111.08091	0.7
111.11717	0.9
112.60483	0.3
113.06038	0.7
115.07571	0.4
117.07002	1.6
119.08585	3.3
121.02901	0.4
121.06488	0.5
121.09271	0.4
121.10145	7.6
123.08123	1.7
123.11706	26.7
124.12012	0.5
124.46001	0.3
125.09613	0.7
125.13290	0.4
127.07565	0.8
131.08563	3.5
133.10110	3.0
135.08060	1.0
135.11710	4.6
137.09621	1.3
137.13254	9.5
139.11179	0.4
141.09140	0.4
145.10101	2.4
147.11664	2.2
149.02338	9.3
149.09583	2.0
149.13263	2.8
151.11203	1.0
151.14815	3.6
153.09161	0.4
155.10699	0.3
159.11682	2.2
161.13289	1.6
163.11157	1.4
163.14790	1.8
165.12787	1.1
165.16357	0.9
167.10727	1.1
173.13263	3.0
175.14928	0.4
177.12781	1.3
177.16435	1.1
179.14317	1.3
181.12256	1.3
187.14832	3.9
191.14264	1.6
195.13731	2.3
201.16354	0.6
205.15831	1.3
209.15398	3.5
211.60623	0.3
217.19554	0.4
219.21144	0.9
223.16930	3.5
237.18468	1.7
243.21088	2.7
261.22147	4.7
279.19870	2.4
279.23175	53.3
279.64737	0.3
280.23529	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	3.7
69.31802	0.9
70.10671	0.8
71.07363	2.5
72.24057	1.0
72.42703	0.9
86.09710	28.1
96.99961	0.8
104.10744	87.6
105.11094	1.1
112.89609	14.1
114.89338	4.2
116.89161	2.7
129.38988	0.9
134.98521	0.9
136.94031	2.0
146.30208	1.0
173.02962	1.5
181.96176	0.9
206.93861	0.9
207.01437	5.4
207.04875	1.0
221.01857	100.0
222.02420	1.0
239.01677	1.3
257.02777	2.6
280.09216	67.2
281.09576	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.38454	0.3
57.03431	0.8
57.07072	1.2
58.07404	0.4
63.02375	0.4
65.03939	0.3
69.07061	0.8
69.16343	1.9
70.06594	0.6
72.08144	0.3
74.06085	1.3
76.98166	0.2
78.04691	0.3
79.05483	0.9
79.06559	0.3
81.07032	0.3
82.06584	1.1
86.09699	2.6
89.03920	3.3
91.05495	1.9
93.07035	0.5
94.06588	0.3
95.05000	0.6
98.22612	0.5
100.07620	1.5
103.05407	0.3
104.10749	0.6
105.07010	0.8
106.04176	0.4
107.04979	0.3
115.05401	0.3
117.03378	15.7
117.07008	0.5
118.03703	1.5
119.08567	0.3
121.06526	0.6
128.06203	0.6
129.07005	1.0
130.88467	0.3
134.03621	0.7
134.09650	0.4
135.04373	0.9
141.07028	0.5
145.02843	51.2
146.03166	4.4
147.04364	0.4
149.02347	5.7
149.05978	6.2
150.02692	5.0
150.06252	0.7
151.07568	0.5
155.08502	0.4
162.03151	0.3
163.03894	0.5
177.05467	100.0
178.05814	10.5
186.05479	0.5
196.11252	0.4
226.15796	0.4
244.17036	0.4
251.08170	0.3
252.08972	0.5
259.09097	0.3
262.18076	2.1
280.15347	1.3
280.19006	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	280.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05513	9.3
57.03421	2.4
57.05809	1.3
57.07064	3.6
58.06585	3.3
58.07402	1.3
65.03945	1.5
67.05507	46.6
69.07066	9.8
70.06238	1.8
70.06593	24.5
70.89109	1.5
79.05495	17.8
81.07059	37.3
82.06580	1.8
83.08613	3.0
84.08130	1.9
84.84196	1.1
91.05482	11.9
93.06525	1.6
93.07053	21.1
95.04964	2.4
95.08602	27.5
96.08109	4.2
97.10156	1.2
98.09651	1.6
104.99277	7.0
105.07037	7.3
107.08618	9.5
109.10178	11.1
110.09680	2.0
113.79848	1.1
115.07681	1.0
119.08564	5.9
121.02888	1.3
121.10175	6.0
123.11712	3.0
133.10097	4.8
135.11671	3.2
147.11656	3.2
149.02353	14.6
149.13234	1.3
150.02687	13.4
161.13217	2.2
163.14684	1.8
189.16322	1.1
262.25299	100.0
263.25806	5.4
280.18915	2.2
280.26306	53.0
281.26627	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.8
62.23861	0.7
69.10373	3.8
91.05494	0.6
95.39118	0.6
98.97587	6.4
104.99268	4.4
107.04933	1.4
116.98641	3.5
119.87577	0.6
124.67670	0.6
134.99675	1.6
149.02373	1.0
149.07605	0.6
150.02657	1.0
151.02806	0.7
162.33221	0.7
228.13028	1.0
234.92136	1.0
244.06888	0.6
246.14081	0.9
258.99771	3.6
269.94989	0.7
277.00861	4.3
281.13602	100.0
282.13953	3.7
289.26804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1499
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
52.67159	0.3
63.02369	0.8
70.06595	5.5
83.08604	0.4
86.09699	0.4
87.09208	0.8
88.07630	6.5
89.03899	3.3
91.05465	0.8
98.97597	1.5
104.99238	0.6
105.10278	5.9
106.04173	0.5
116.98635	0.8
117.03388	18.8
129.31088	0.4
134.03642	0.5
134.99626	0.4
135.04411	0.9
136.06172	0.8
145.02849	57.1
146.03227	1.8
147.04410	1.4
148.04735	0.9
149.02359	0.6
149.05984	6.0
150.02682	1.0
163.03979	0.5
177.05472	100.0
178.05775	3.3
193.06067	0.4
193.73990	0.4
195.71085	0.3
196.92984	0.4
234.11295	3.1
248.85675	0.3
258.99722	0.8
263.13913	13.9
264.12259	1.3
277.00742	1.1
281.10233	1.0
281.14963	15.5
282.15280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13806	0.4
55.05499	1.1
55.16551	0.4
56.96587	0.4
63.02380	0.4
69.96362	1.2
70.06232	0.7
70.06592	8.6
70.11412	0.4
83.08616	1.4
87.09232	0.8
88.07629	18.7
89.03912	5.2
89.08004	0.4
97.89249	0.4
98.97596	3.2
101.09641	0.7
104.99263	0.7
105.10264	21.2
114.05483	0.5
116.98640	1.0
117.03377	22.8
119.04914	0.5
120.08108	0.6
123.07925	1.0
131.08174	0.7
131.16602	0.4
134.03645	1.5
135.04431	1.2
145.02846	59.7
146.03186	1.0
147.04439	1.5
149.02350	0.5
149.05974	7.2
150.02675	0.5
151.02884	1.1
153.91936	0.4
154.77495	0.4
174.30782	0.4
177.05466	100.0
178.05858	2.3
234.11272	4.4
258.99826	1.0
263.13919	12.9
264.12256	1.3
277.00943	1.2
281.10562	1.0
281.14978	14.1
282.15186	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	4.2
57.07076	98.0
61.02919	5.4
63.04490	45.7
66.92255	2.7
67.42641	2.6
69.03429	14.9
69.44511	5.7
69.44909	6.2
79.39069	3.1
81.03440	4.0
85.02413	3.0
85.02903	45.7
91.05457	4.0
97.02877	9.4
98.23473	5.4
98.97583	15.4
101.09669	4.4
104.99258	4.1
105.07040	3.5
116.98637	4.9
119.10694	100.0
127.03894	9.6
134.99577	3.0
135.59146	3.6
149.02342	4.6
150.02699	4.6
151.02812	6.2
177.05530	3.5
200.94835	2.9
239.95605	2.7
248.40305	2.7
258.99811	5.8
264.12094	2.9
277.00812	9.9
281.09415	8.0
281.14636	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.3
53.54297	1.7
55.01869	6.6
55.05516	33.7
56.96573	2.8
57.03441	28.9
65.03927	3.7
67.05510	96.5
69.07065	19.0
69.21020	6.6
69.21430	2.8
71.04984	5.1
77.03885	2.0
79.05499	100.0
80.92793	1.7
81.03415	17.4
81.07063	73.4
83.04988	38.8
83.08636	10.0
85.06542	4.3
91.05483	74.3
93.07049	74.4
94.07372	1.8
95.04417	2.8
95.04974	31.0
95.08022	3.1
95.08609	44.5
96.08972	2.0
97.06537	10.9
97.10160	5.0
98.22693	3.9
98.97583	27.0
99.08086	2.5
104.99271	14.1
105.04516	5.3
105.06346	3.1
105.07039	52.5
107.04964	11.4
107.08598	29.0
109.06515	9.6
109.10173	10.8
111.04433	8.1
111.08102	4.6
116.98610	17.1
117.07029	11.9
119.08578	29.8
121.06520	6.6
121.10142	6.7
123.08077	10.1
123.11672	2.4
125.06010	3.7
128.06212	2.5
129.07011	19.0
131.08577	5.9
133.06526	1.8
133.10124	17.7
134.98636	1.7
134.99652	8.2
137.05984	2.2
137.09628	2.7
143.08565	8.0
145.10139	13.4
147.08008	4.9
147.11693	42.0
149.02380	2.0
150.02632	1.9
151.02824	3.2
151.11261	2.6
157.10135	2.2
161.09605	5.3
161.13281	18.3
165.09106	2.4
165.12773	2.6
168.00902	1.7
171.11700	28.0
173.09821	2.2
175.11365	1.9
179.14322	2.6
183.13863	12.3
189.12791	12.2
207.13832	17.7
211.13249	14.6
234.92148	2.2
258.91663	2.0
258.99759	13.8
263.20129	5.4
277.00821	17.2
281.14362	2.9
281.17474	61.7
281.21069	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	281.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72781	1.9
53.03953	5.4
54.61075	2.0
55.01867	3.3
55.05512	26.5
56.96568	3.0
57.03437	27.3
57.50958	2.0
65.03947	2.6
67.05508	74.3
69.03449	2.8
69.07070	14.6
69.42084	4.6
69.42467	7.6
71.04993	5.1
79.05496	100.0
81.03413	12.9
81.07058	58.1
83.04985	33.8
83.08624	6.6
85.02934	2.9
85.06531	3.5
91.05486	68.2
93.07052	63.7
93.07513	1.6
95.04981	29.6
95.08603	38.7
97.06539	8.4
97.10172	4.8
98.97589	27.8
104.99290	12.3
105.04552	5.4
105.07026	47.2
107.04957	8.9
107.08585	23.4
109.06509	7.7
109.10152	7.5
116.98623	17.6
117.07037	12.4
117.62338	2.1
119.08580	26.5
121.06495	5.1
121.10134	6.5
123.07225	2.5
123.08037	10.3
129.06140	2.8
129.06987	17.7
133.10132	15.6
134.99678	10.4
135.11678	2.4
143.08557	10.3
145.10095	13.8
147.08015	5.1
147.11690	39.0
150.02771	3.4
151.02751	2.4
151.11243	2.2
161.09637	5.6
161.13277	15.0
163.03920	2.7
171.11682	31.2
172.95015	2.0
176.87152	2.1
189.12746	15.7
207.13774	17.0
238.11401	2.3
258.99698	11.0
277.00845	20.4
281.17450	56.8
282.01248	3.8
282.17923	3.0
282.22351	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.2
69.03439	0.5
69.93671	0.9
71.16161	0.4
84.08103	0.5
85.02905	2.9
85.06540	1.4
97.02876	0.9
97.85838	0.4
98.97581	100.0
103.07543	0.5
106.56484	0.4
114.46221	0.4
115.48146	0.4
116.98621	48.5
121.06508	2.2
127.03940	0.9
133.83443	0.4
134.99655	14.1
140.00259	0.6
145.02841	0.6
145.04958	1.6
150.07719	4.0
153.00690	1.2
158.01273	0.5
161.22537	0.4
177.05461	0.9
178.05823	0.7
206.11768	0.9
211.35741	0.5
216.98651	0.7
234.99698	0.7
236.98605	0.6
240.98631	3.6
258.99759	54.4
259.99905	2.1
277.00812	64.1
278.00916	2.3
281.15176	0.4
282.01257	0.9
282.13220	0.6
295.02063	0.7
300.02475	1.2
300.70566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0137
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39456	0.2
54.98627	0.3
56.96564	7.6
69.57371	0.5
69.57784	0.8
71.95243	0.8
73.12661	0.2
98.22424	0.3
98.97580	100.0
99.97923	0.4
109.28960	0.3
114.71799	0.2
116.98619	36.5
134.99658	7.5
140.00183	0.6
153.00670	0.5
216.98782	0.6
219.02136	0.6
234.99802	0.9
236.98596	0.4
240.98640	4.5
244.66689	0.3
258.99765	48.7
259.99969	2.3
261.03012	1.0
277.00806	56.5
278.00992	2.2
279.01343	0.3
282.01282	0.5
282.99963	3.7
295.01865	0.5
300.02405	0.4
301.01028	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	282.0487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15428	3.0
54.80953	2.8
54.97541	3.6
55.01872	5.5
57.03431	9.5
61.02927	9.2
65.13194	2.9
69.03426	11.0
69.62933	10.2
72.08149	7.7
73.02913	41.3
81.03395	4.5
85.02889	34.9
88.15890	3.6
94.02666	4.1
94.93024	16.5
97.02884	12.5
98.22676	3.4
99.04451	5.4
101.00879	8.6
102.02430	3.3
111.02905	3.7
112.89619	8.7
113.00844	3.9
114.89265	4.2
117.02917	4.0
119.01905	5.8
120.02334	3.2
123.02957	7.0
126.03439	3.4
127.03909	14.4
129.52957	3.4
131.01910	9.4
132.03419	5.3
135.02934	5.3
138.03423	13.2
143.01913	23.7
144.03424	7.3
145.03572	3.5
145.04935	4.9
147.03960	18.2
150.00618	4.1
150.07733	37.3
153.03897	18.2
155.01855	19.6
157.03447	6.2
161.02922	14.3
162.03197	4.1
162.04524	13.0
165.03998	3.7
167.01891	7.7
173.02971	35.1
174.03156	4.3
174.04517	22.1
174.54652	4.8
176.93507	8.7
183.05016	78.1
183.55086	17.8
185.02959	27.6
192.05531	100.0
192.55661	23.4
193.05428	6.2
193.70959	3.5
203.04037	13.4
208.97229	15.6
221.05165	8.0
233.41223	3.4
250.80571	3.5
272.74698	3.1
282.04840	63.1
295.48926	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	282.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40699	3.6
55.93533	4.3
57.03432	7.4
57.39206	3.9
57.85778	4.5
61.02923	8.7
64.91808	4.6
69.03423	7.6
73.02930	19.5
85.02946	21.5
85.03365	4.2
85.06577	4.4
94.93014	62.7
97.02891	15.7
98.97592	12.9
99.04469	5.3
116.98625	5.3
119.04900	4.2
121.06494	12.4
127.03917	10.6
131.01904	4.5
134.99672	4.5
136.06200	6.2
136.94006	6.4
137.05972	3.8
138.03400	8.7
143.01892	11.6
145.05016	6.2
147.04103	8.0
148.04732	9.3
150.07756	100.0
153.03970	6.6
155.01874	19.1
161.03052	5.5
162.04393	4.6
165.03830	4.1
166.95059	4.0
167.02025	4.2
170.30650	4.4
173.02963	20.7
174.04517	15.3
176.93498	38.0
183.05022	52.8
183.55176	11.8
185.02940	12.7
192.05533	66.8
192.55688	11.3
203.03960	6.6
221.04997	4.4
259.02359	4.5
277.00830	6.4
282.04849	73.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77391	1.8
54.77708	1.9
55.01878	5.4
57.03444	9.4
61.02936	10.0
63.13211	1.9
69.03436	11.9
71.45463	2.2
73.02920	45.5
81.03416	3.8
85.02903	34.1
91.03905	2.3
93.01896	2.1
94.93020	96.2
96.02458	2.6
97.02893	15.5
99.04459	3.3
100.02681	2.7
101.00893	6.3
102.02460	4.4
108.02383	3.8
111.02939	4.6
112.89610	61.0
113.00883	4.9
114.02354	2.5
114.89352	17.9
115.03976	2.6
117.02923	5.8
119.01913	13.4
121.06497	3.5
123.02955	4.0
127.03924	17.4
129.02954	3.2
131.01886	10.8
132.03455	6.9
134.92506	2.3
135.02907	3.3
136.94000	4.7
138.03445	17.0
138.05563	2.0
143.01901	17.3
144.02209	2.3
144.03442	10.4
145.03438	5.0
145.04961	8.2
147.03986	20.0
150.00706	3.7
150.07751	44.3
152.93504	2.9
153.03961	15.7
155.01891	18.5
156.04497	3.0
157.03519	3.2
160.94063	6.4
161.02960	20.1
162.03293	3.0
162.04460	14.1
162.54659	2.6
165.03978	6.3
167.01927	5.3
168.04527	3.2
173.02965	35.5
174.03133	3.2
174.04489	27.1
174.54657	5.3
176.93526	60.7
180.99963	2.7
183.05037	100.0
183.55177	14.2
184.04982	4.1
185.02950	22.7
191.03943	5.2
191.54143	2.2
192.05540	85.6
192.07253	4.4
192.55653	20.4
193.05507	4.3
194.94597	2.8
203.03969	14.8
203.05513	1.8
203.56415	3.8
208.97241	10.6
214.65398	1.8
215.04147	2.5
221.05084	8.7
222.94012	3.3
227.03967	2.4
234.94009	2.2
236.00862	3.5
241.01334	2.8
243.89450	2.7
245.05119	5.8
250.93454	3.0
259.02472	7.6
263.06168	5.7
282.01682	4.0
282.04871	40.3
300.86826	9.2
302.51535	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	282.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77391	1.8
54.77708	1.9
55.01878	5.4
57.03444	9.4
61.02936	10.0
63.13211	1.9
69.03436	11.9
71.45463	2.2
73.02920	45.5
81.03416	3.8
85.02903	34.1
91.03905	2.3
93.01896	2.1
94.93020	96.2
96.02458	2.6
97.02893	15.5
99.04459	3.3
100.02681	2.7
101.00893	6.3
102.02460	4.4
108.02383	3.8
111.02939	4.6
112.89610	61.0
113.00883	4.9
114.02354	2.5
114.89352	17.9
115.03976	2.6
117.02923	5.8
119.01913	13.4
121.06497	3.5
123.02955	4.0
127.03924	17.4
129.02954	3.2
131.01886	10.8
132.03455	6.9
134.92506	2.3
135.02907	3.3
136.94000	4.7
138.03445	17.0
138.05563	2.0
143.01901	17.3
144.02209	2.3
144.03442	10.4
145.03438	5.0
145.04961	8.2
147.03986	20.0
150.00706	3.7
150.07751	44.3
152.93504	2.9
153.03961	15.7
155.01891	18.5
156.04497	3.0
157.03519	3.2
160.94063	6.4
161.02960	20.1
162.03293	3.0
162.04460	14.1
162.54659	2.6
165.03978	6.3
167.01927	5.3
168.04527	3.2
173.02965	35.5
174.03133	3.2
174.04489	27.1
174.54657	5.3
176.93526	60.7
180.99963	2.7
183.05037	100.0
183.55177	14.2
184.04982	4.1
185.02950	22.7
191.03943	5.2
191.54143	2.2
192.05540	85.6
192.07253	4.4
192.55653	20.4
193.05507	4.3
194.94597	2.8
203.03969	14.8
203.05513	1.8
203.56415	3.8
208.97241	10.6
214.65398	1.8
215.04147	2.5
221.05084	8.7
222.94012	3.3
227.03967	2.4
234.94009	2.2
236.00862	3.5
241.01334	2.8
243.89450	2.7
245.05119	5.8
250.93454	3.0
259.02472	7.6
263.06168	5.7
282.01682	4.0
282.04871	40.3
300.86826	9.2
302.51535	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	282.1198
Annotation	2'-O-Methyladenosine
Peak:m/z	Relative Intensity
55.01829	0.7
56.96534	0.5
57.03440	1.3
59.05006	1.1
61.02884	0.7
69.03429	3.0
70.03735	0.2
70.06561	0.3
71.01344	0.2
71.04984	0.3
71.45734	0.2
73.02895	0.3
73.06537	0.2
75.04436	0.7
81.03384	0.6
85.02901	1.8
85.06510	0.7
86.03214	0.2
87.04482	0.9
88.07613	0.3
89.06025	0.2
91.05457	0.5
92.05798	0.3
94.04026	0.5
97.02880	0.9
98.97589	2.5
100.07605	0.4
101.06017	1.5
101.07961	0.3
103.07582	1.6
107.04939	0.7
108.05289	0.4
109.02880	0.2
110.07181	1.1
111.04402	0.2
115.03891	0.6
116.98627	1.5
117.03353	0.2
118.03723	0.2
118.08649	0.2
118.11346	0.2
119.03560	0.9
119.04936	0.5
119.11787	0.2
120.05261	0.6
121.06518	0.3
123.07914	0.6
124.08299	0.3
127.03933	0.6
129.05464	0.3
134.99658	0.7
135.04437	0.2
135.11287	0.7
136.06186	100.0
137.04610	0.6
137.06534	0.8
145.02843	0.7
145.04976	0.4
146.03207	0.7
147.04433	2.0
147.06517	0.8
148.04747	2.7
148.66374	0.2
150.07733	0.8
156.07707	0.3
163.03871	0.8
164.04234	0.9
174.96649	0.2
177.05490	0.8
178.05852	1.3
190.08685	0.3
218.08102	3.1
218.09995	0.2
235.11671	0.4
236.09222	1.1
237.00793	0.2
240.25429	0.2
247.11699	0.2
258.99750	1.1
264.08670	1.5
264.14261	1.7
264.16464	0.2
277.00830	1.8
282.09344	0.4
282.12134	5.7
282.15250	1.3
282.22214	0.2
283.12537	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1197
Annotation	1-Methyladenosine
Peak:m/z	Relative Intensity
55.01890	0.7
55.05489	0.8
56.96557	1.9
57.03438	1.2
61.02932	0.7
61.12788	0.7
62.63043	0.6
69.03453	1.2
71.01344	2.6
71.45554	0.7
73.02941	0.8
81.33808	0.6
85.02895	1.9
94.04068	0.8
98.97577	18.9
103.07529	0.8
104.99262	1.0
105.10278	0.9
105.75273	0.6
109.02878	1.1
116.98624	12.0
117.03458	0.7
121.08455	0.8
127.03941	1.9
131.03401	1.8
131.39713	0.7
134.09737	0.7
134.99649	8.0
136.06174	1.3
145.02835	1.3
146.03194	2.0
147.04448	1.6
148.04773	1.8
150.07753	100.0
151.08083	1.6
153.00645	0.9
155.03392	1.1
157.21960	0.7
163.97685	0.9
177.05482	2.4
178.05806	5.8
186.99245	0.8
197.32526	0.7
206.11714	2.3
240.98610	0.9
258.97220	1.1
258.99796	12.9
260.00052	0.8
264.14206	1.2
277.00833	15.2
278.01089	1.3
282.12018	16.2
282.15060	1.7
282.22229	1.4
289.65469	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.4
55.01869	3.3
56.96564	10.8
57.03434	5.3
58.70588	1.4
61.02928	10.4
67.24397	1.0
69.03427	17.2
71.01344	1.1
71.04982	2.3
71.44463	1.6
73.02911	5.3
81.03419	7.8
84.63139	1.2
85.02903	97.6
85.06542	27.0
87.04472	2.6
88.74364	1.0
91.03960	5.7
91.05506	1.3
93.85049	1.1
96.18491	1.1
97.02892	20.6
98.97581	100.0
99.04459	6.7
103.07587	4.1
109.02879	9.3
115.03967	2.2
116.98621	57.4
121.06481	2.2
127.03913	23.1
134.99648	21.7
145.04955	58.5
147.93704	1.2
150.07748	90.2
152.06805	8.3
153.00700	1.7
153.07204	8.9
163.06012	14.5
209.93808	3.6
229.10751	4.7
235.91673	1.3
240.98820	3.1
252.12582	1.5
258.99765	53.5
259.99799	2.9
264.12515	1.2
275.31622	1.2
275.46466	1.2
277.00815	64.3
278.00980	5.0
282.12000	3.9
282.22244	1.5
295.01929	1.3
300.02417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.05513	51.0
56.96557	2.2
70.00471	1.3
70.00800	1.5
83.04983	100.0
84.05325	0.8
91.05466	1.3
98.97587	18.0
101.06011	1.4
104.99268	1.0
116.98623	12.4
117.06999	1.4
119.08568	10.6
134.99681	4.7
140.00136	0.9
147.08054	47.9
247.13297	8.8
258.91840	1.1
258.99765	8.1
277.00854	11.1
278.01208	1.0
282.24231	1.4
300.02463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.1
55.05504	4.2
56.05035	1.6
56.96555	3.1
57.03438	8.8
61.02923	4.4
67.05505	7.1
69.03436	2.3
69.07067	37.6
70.06593	3.9
71.04980	1.9
71.47211	1.7
74.06071	4.6
79.05486	23.8
81.07057	4.5
82.06568	5.1
85.02882	1.9
85.06537	3.7
89.06022	3.2
91.05476	26.3
91.71044	1.5
93.07032	3.6
95.04950	3.5
95.08614	2.4
97.06530	68.2
98.97587	28.1
100.07614	6.4
103.05501	1.7
105.07034	4.2
107.04967	2.4
107.08617	2.1
116.07091	1.9
116.98605	19.1
117.07042	2.6
119.04952	13.3
119.08575	2.3
121.06540	2.3
123.04414	2.0
126.18958	1.3
128.06198	2.5
129.07011	3.2
129.09097	11.1
131.08557	4.0
133.06500	3.1
134.09654	2.3
134.99619	7.4
135.04408	4.0
137.05977	100.0
138.06271	2.5
147.04445	8.0
162.38269	1.9
164.07066	4.6
177.09113	10.0
181.04965	2.4
187.34621	1.5
189.09123	15.1
206.11824	11.4
215.10678	4.7
233.11723	57.0
246.18544	2.3
247.13277	8.0
250.14333	2.2
253.85161	1.6
258.99802	14.9
264.15973	36.5
264.19589	13.2
265.14322	44.7
265.16949	3.0
267.05084	2.2
277.00821	14.7
280.36578	1.6
282.07574	5.0
282.20493	22.9
283.11551	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	282.2063
Annotation	scalusamide A
Peak:m/z	Relative Intensity
53.03953	2.1
55.01871	4.8
55.05509	9.5
56.05045	5.1
57.03436	1.6
57.58544	0.9
59.19134	1.1
60.04526	45.3
65.03922	3.5
67.05503	37.8
68.05029	2.6
69.03410	1.0
69.07072	6.3
69.37334	4.2
70.06594	5.5
71.01337	0.9
71.04996	12.1
72.04514	9.5
74.06091	1.3
77.03921	2.4
79.05493	62.8
80.05018	2.6
81.03407	1.5
81.07056	35.6
82.06591	4.7
83.04978	7.5
83.08629	2.2
83.89252	0.9
84.04501	3.5
84.08156	2.3
85.06534	2.6
86.06077	4.8
87.07434	0.9
88.03975	1.1
91.05480	71.3
93.05812	1.3
93.07043	41.0
94.06583	5.0
95.04971	9.7
95.08605	18.5
96.08128	8.0
97.06538	8.6
98.06033	1.7
98.09660	1.1
98.97563	7.4
100.07620	1.4
102.05517	1.7
103.05434	2.2
105.04512	2.4
105.07028	33.5
106.06544	1.1
107.04951	2.5
107.07381	1.3
107.08585	17.3
108.08099	4.8
109.06516	4.6
109.10152	4.0
110.06041	1.2
110.09673	4.4
111.08097	1.7
112.07604	4.3
115.05474	2.5
116.07082	2.1
116.98634	2.5
117.07027	17.9
119.08577	26.2
120.08105	3.3
121.06497	1.8
121.08849	1.1
121.10141	8.5
122.09653	2.6
123.08072	3.2
124.07594	1.1
124.11168	1.1
126.09136	2.3
128.06229	2.6
128.10698	1.0
129.06993	9.2
131.08560	19.6
132.08066	1.4
133.10118	14.6
134.09639	3.4
135.08018	2.4
135.11696	3.0
136.11194	1.8
137.09595	2.7
138.09135	2.7
140.10690	1.4
141.06969	5.1
142.07755	1.8
143.08574	7.1
145.10126	10.9
146.09624	1.2
147.08080	2.0
147.10625	1.4
147.11679	5.1
147.41284	1.2
148.11198	3.7
149.09579	1.9
149.13246	1.0
152.10674	1.7
154.12233	1.1
155.08533	5.0
157.10126	6.8
159.11703	6.8
160.11221	1.6
161.09671	2.1
161.12062	1.6
161.13243	6.2
169.10130	6.9
171.11690	2.1
172.11237	1.6
173.13284	3.8
175.14786	1.9
178.12164	1.4
183.11711	2.7
185.13300	3.9
187.11278	1.1
187.14807	2.2
199.14856	3.0
201.16380	1.1
211.14771	3.0
215.16826	1.0
216.17485	3.4
217.15927	1.5
218.19022	1.0
228.17484	1.2
229.15878	3.0
234.18517	6.4
246.18484	11.2
252.19485	12.0
258.99799	3.8
262.31348	1.0
264.19577	32.9
265.19791	1.1
277.00809	3.2
282.20590	100.0
283.20975	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	282.2065
Annotation	scalusamide A
Peak:m/z	Relative Intensity
53.03934	1.0
55.01860	2.1
55.05519	5.4
56.05026	3.9
56.96542	0.9
57.03437	2.2
58.06582	1.1
61.84776	0.8
65.03935	1.2
66.26765	0.9
67.05499	14.3
69.07056	3.4
69.68598	1.8
69.68988	2.3
70.06589	18.0
71.05000	7.0
77.03919	1.1
79.05040	1.7
79.05486	24.3
80.04982	1.4
80.05804	0.9
81.07053	21.4
82.06571	4.6
83.04982	1.5
83.08602	0.9
84.08153	4.3
85.02895	6.8
85.06509	2.1
87.04445	0.9
87.08871	0.8
91.04938	1.6
91.05476	25.4
91.06053	1.3
93.07044	27.5
95.04959	2.8
95.08024	1.3
95.08607	22.3
96.08113	5.2
97.06542	1.0
98.97573	12.6
103.05447	1.0
105.04568	1.7
105.07027	29.6
107.08581	17.0
108.08113	1.6
109.06485	1.9
109.10163	4.4
110.09672	3.5
112.11207	2.6
113.05953	1.5
116.98621	6.3
117.07008	7.7
119.05994	1.2
119.08574	17.1
121.06484	4.3
121.10130	6.3
122.09644	2.4
124.11247	5.0
129.06987	3.7
131.08568	15.0
133.06490	1.1
133.10126	15.0
134.99670	1.6
135.08031	3.9
136.11200	2.0
137.11954	1.0
139.07529	1.0
141.06969	1.7
143.08534	3.0
145.10114	12.5
147.08044	3.7
147.11673	13.0
149.09564	2.0
149.13237	1.0
150.09097	1.2
151.07510	1.1
153.09073	1.2
155.08554	2.0
157.10127	2.2
158.06900	0.8
159.08054	1.6
159.11661	4.9
161.09590	1.8
165.09087	1.5
168.10127	1.7
169.10091	3.3
173.09654	2.0
182.11821	1.0
183.11646	1.9
185.13289	2.6
187.11139	1.2
187.14801	9.6
201.16331	1.2
205.50032	0.9
211.14778	3.8
221.05977	0.9
229.15849	3.7
246.18495	1.5
247.16957	6.1
258.99841	5.8
264.19571	87.1
265.19882	3.0
277.00879	7.6
282.20615	100.0
283.21161	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	282.2793
Annotation	Dodemorph
Peak:m/z	Relative Intensity
51.54797	0.7
55.05255	1.0
55.05508	12.1
56.05019	1.6
57.03427	2.8
57.07067	4.0
58.06593	1.8
60.04523	0.9
63.40157	0.7
66.96967	0.7
67.05505	12.2
69.06708	1.0
69.07067	12.9
70.06595	10.4
71.04980	2.2
71.08622	2.0
72.04517	4.5
74.06079	1.2
79.05492	7.3
81.07053	12.7
82.06588	2.0
83.04938	0.8
83.08614	7.8
84.08144	1.6
85.06526	1.8
85.10191	0.8
86.06074	2.4
91.05472	2.0
93.07039	8.4
95.08605	12.8
96.08126	2.5
97.06543	1.9
97.10147	4.1
98.09674	1.9
98.97579	14.0
103.41467	0.9
105.07016	0.8
107.08587	4.1
109.10151	6.2
110.09665	1.4
111.08048	2.0
111.11751	0.8
116.98617	8.6
121.10123	3.0
123.11696	1.5
124.11164	0.8
133.08638	0.9
133.10300	0.8
134.99699	3.5
135.11719	2.2
136.02608	0.7
137.13258	0.7
140.00128	0.9
161.07141	0.8
247.24097	1.2
258.99707	6.4
259.99863	1.0
264.26855	16.4
277.00827	9.0
278.00876	0.9
282.27908	100.0
283.28333	3.7
300.02441	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.9619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.14292	0.8
69.96146	2.0
69.96516	1.7
75.21686	0.8
85.06626	0.8
94.93018	100.0
98.97612	1.1
101.00893	1.6
102.96880	1.4
112.89612	3.6
119.01940	2.2
122.92451	2.1
134.92462	3.4
136.94052	3.5
144.99854	1.5
152.93532	3.0
160.93999	1.4
164.93544	1.6
166.95088	3.3
176.93521	59.4
192.93028	2.4
194.94608	3.2
206.94501	1.3
210.37039	0.9
215.00305	1.4
222.94029	2.1
243.74800	1.0
250.93623	3.3
261.03149	3.0
262.84842	0.8
264.95160	1.6
283.00546	1.7
298.22308	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.9621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10043	0.9
53.63678	0.9
53.89406	0.9
69.37632	3.9
73.02929	2.1
85.02889	1.4
94.93015	100.0
96.92855	2.1
100.07599	1.3
112.89607	38.2
114.89340	2.9
116.89140	1.7
122.92470	1.7
134.92459	2.3
136.94016	5.2
138.05508	2.6
148.04756	1.5
150.07735	13.1
151.08115	3.6
152.93513	3.8
164.93517	2.0
166.95087	2.9
176.93521	57.6
178.95119	1.4
178.97095	1.3
183.55115	1.5
190.96252	1.2
191.67996	0.9
191.94572	3.3
192.55618	2.2
192.93015	2.2
193.05551	1.4
194.94542	3.6
203.04079	1.2
206.86765	1.7
206.94632	1.2
208.97264	91.9
209.97597	1.1
210.94093	1.4
222.93936	1.8
234.94144	1.9
247.91292	2.3
250.93573	4.1
250.98177	1.3
264.95071	1.2
282.96060	1.3
300.86847	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06108	0.9
54.08875	0.9
55.01871	5.2
55.05503	3.3
63.64362	0.9
67.05499	2.8
69.99960	1.1
70.06621	0.9
71.45736	1.0
74.50779	1.0
77.32822	0.9
78.23153	1.0
79.05469	1.7
81.03365	1.2
81.07050	1.2
89.06016	2.2
90.48180	0.9
91.05464	1.7
93.07092	1.4
95.04978	2.1
95.08614	1.2
98.97578	7.1
104.99265	2.9
105.07027	1.1
107.08574	1.5
109.06476	1.3
109.10130	1.0
109.52083	1.2
110.06057	1.7
111.08082	5.9
116.98605	4.6
119.08630	1.4
127.08692	2.4
130.05003	2.0
134.99640	1.7
135.11658	1.2
141.45706	0.9
154.12115	1.1
163.11127	1.7
200.94557	1.1
220.25844	1.1
233.11493	4.0
251.12617	1.7
260.00058	2.3
265.14081	1.9
278.00958	3.8
283.15146	100.0
284.15479	2.6
284.21964	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	283.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13475	0.5
53.03920	1.9
55.01870	4.0
55.05510	10.5
56.96557	0.6
57.03187	0.8
57.03435	9.9
57.07065	0.7
64.80760	0.6
65.03905	0.9
66.79543	0.6
67.05173	1.0
67.05504	16.9
67.56203	0.6
69.03409	1.4
69.07066	7.8
69.81964	1.9
71.04967	2.7
73.02903	0.9
79.05492	24.5
81.03400	2.5
81.07059	16.3
83.05000	3.5
83.08603	7.0
85.06527	1.1
88.99081	0.7
89.05975	1.0
91.05473	8.1
93.07043	36.4
95.04977	8.0
95.08604	33.7
97.02894	4.2
97.06503	3.2
97.10158	1.0
98.22699	0.7
98.97588	5.1
99.04459	4.6
103.05457	1.0
104.99238	1.7
105.04517	1.0
105.07028	7.1
107.04953	10.3
107.08595	29.2
108.08902	0.8
109.06478	2.0
109.10145	2.4
111.04424	2.3
111.08050	0.6
113.05979	0.8
116.98605	2.7
117.07021	9.7
119.08587	9.1
121.06492	6.4
121.10148	13.1
125.05965	2.9
130.07779	1.7
131.08578	0.9
133.08621	0.8
133.10136	2.4
134.99675	0.9
135.08058	1.5
135.11693	42.6
136.12027	1.1
139.07539	1.9
143.08519	1.3
145.06461	0.9
145.10121	25.5
153.12775	1.0
163.11179	58.4
164.11490	1.5
173.09612	1.7
181.12238	14.3
209.11708	2.1
227.12770	100.0
228.13052	3.2
245.84674	0.8
256.94843	0.8
259.99924	2.6
278.01025	2.7
283.15369	34.3
284.15866	1.5
284.21970	18.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29243	1.8
53.03939	1.8
55.01874	81.9
55.05257	3.2
55.05513	51.4
56.04139	1.5
57.03423	2.5
57.07085	10.5
59.04985	1.7
67.05507	41.8
69.03450	1.9
69.07070	23.6
71.05000	5.4
79.05491	27.6
81.06578	2.6
81.07062	48.7
83.04989	14.7
83.08618	16.0
85.06525	4.6
88.87766	1.9
89.06032	5.7
91.05479	7.8
93.07044	35.7
95.08614	30.1
97.06525	8.5
97.10176	28.1
98.97579	2.4
104.99268	6.5
105.07036	5.4
107.08592	24.6
109.10155	30.3
109.58546	1.7
111.08076	7.5
116.98605	2.0
117.06992	3.5
119.08576	8.9
121.06516	1.9
121.10152	29.3
123.11709	13.4
125.09631	100.0
126.09932	3.3
127.07520	1.8
127.11221	2.2
131.08569	6.2
133.08627	2.0
133.10135	6.0
135.08044	7.3
135.11694	26.6
137.09607	5.5
137.13251	3.1
139.07591	2.2
145.10118	5.3
147.11655	3.6
149.09608	7.4
149.13206	7.8
151.11232	1.7
153.09123	8.2
153.12729	8.7
159.11681	4.5
163.11162	5.9
163.14809	2.3
167.10664	7.3
167.93872	1.7
173.13274	2.1
181.12213	6.4
191.17926	8.3
203.12735	2.1
205.19537	19.8
206.06377	1.7
215.17923	14.0
223.20604	8.0
233.19049	25.4
251.20062	95.3
252.20499	4.8
257.39676	2.0
283.16965	6.1
284.33127	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	284.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	0.8
61.02918	0.6
69.24711	0.3
70.06586	0.4
70.61474	0.4
73.02904	0.6
80.54485	0.2
82.99866	0.3
85.02898	1.1
87.04462	6.9
93.47901	0.3
97.02886	0.4
98.97577	5.7
100.97178	0.5
101.00870	1.8
105.03537	0.3
105.05501	7.3
105.68478	0.3
116.98616	3.9
119.01911	5.9
121.06435	0.4
127.03898	0.3
133.29832	0.3
134.99687	1.8
135.02975	0.6
136.06166	2.2
137.02965	1.3
145.04897	0.5
150.07759	0.3
151.03925	0.4
152.05672	14.1
153.04094	2.8
158.99889	0.6
165.99670	0.3
177.00954	11.2
178.00998	0.9
186.39395	0.3
193.03911	0.5
198.62367	0.3
201.00925	1.2
206.81827	0.3
217.04045	2.0
219.02005	17.6
220.02145	1.4
221.10506	0.3
225.00883	2.4
226.00987	0.3
237.98700	0.8
238.98381	0.6
243.01971	9.4
243.04434	0.6
244.02112	0.8
252.07407	0.3
260.99915	3.0
261.03046	100.0
262.00125	0.4
262.03165	8.1
266.03513	0.5
279.00577	4.2
279.07745	0.3
284.00101	0.4
284.01477	0.3
284.04660	3.4
284.09756	0.5
284.13989	0.5
284.29672	0.3
285.04938	0.3
302.05750	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.4
55.05514	9.6
57.03447	2.1
58.06590	2.1
58.99591	12.0
65.03938	3.2
67.05511	14.3
69.03416	3.5
69.07063	4.1
69.93120	2.5
69.93461	3.3
70.02956	3.5
70.06618	3.1
70.99574	3.4
71.05010	4.0
79.05501	13.2
80.05019	3.2
81.07077	8.6
82.06586	1.8
83.04964	1.9
83.08613	6.5
84.08128	2.4
85.01122	2.9
85.06509	1.9
86.06076	2.0
86.99050	2.7
88.03991	29.7
91.05484	25.0
93.07049	16.6
94.06562	2.8
95.04945	6.6
95.08592	7.0
96.08110	2.1
97.01128	9.0
97.02900	2.8
97.06534	2.1
98.97597	8.4
101.83737	1.9
105.07046	12.7
107.04967	2.5
107.08601	5.7
109.01094	7.6
109.06503	3.6
109.10178	2.2
111.02673	8.3
111.08043	2.6
112.02181	2.6
112.49931	1.6
113.00585	4.0
115.05457	12.4
116.06228	6.3
116.98612	8.4
117.07039	21.1
118.06526	2.7
118.07774	3.7
119.08585	9.1
120.08115	1.9
121.01119	6.0
121.06519	2.1
121.10169	2.4
122.09706	2.7
123.02625	9.7
123.08064	2.2
125.00586	3.9
129.00075	3.4
129.07028	3.4
131.08533	3.1
133.10141	2.8
134.01862	4.3
134.09680	3.5
135.02623	5.2
135.08107	2.5
136.03456	2.3
136.11218	5.1
137.00569	4.8
137.09604	2.8
139.02138	2.6
141.90768	2.0
142.06848	4.1
143.08607	2.8
144.05728	5.5
144.08107	2.3
145.10136	2.3
147.02650	2.1
149.03105	3.8
149.04175	13.3
150.03725	4.2
151.05777	13.8
153.07292	3.6
155.01651	11.2
156.13889	2.0
157.10153	2.0
158.09546	2.0
159.11671	1.9
162.09261	1.9
166.06897	3.2
167.01624	6.9
168.08426	6.5
177.03683	10.6
178.06870	12.9
179.05318	3.6
186.05884	10.1
192.08405	7.4
194.10066	8.9
195.04805	6.6
196.04253	3.3
206.11748	2.3
212.07526	2.2
220.07925	6.6
224.07359	31.1
238.08986	30.1
240.10583	9.3
248.20134	6.1
249.18486	4.7
260.99670	3.1
261.02896	2.8
261.40082	2.2
266.08411	5.6
266.21155	20.4
267.07135	2.2
279.00644	5.0
284.06747	3.8
284.09515	100.0
284.22229	37.5
284.29422	3.3
285.09995	4.1
285.13138	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	284.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01867	7.2
57.03429	5.5
59.05003	1.4
60.04511	4.6
61.02913	4.7
67.05500	1.4
68.99785	2.2
69.03427	37.1
69.46252	6.2
71.04985	4.1
72.97433	1.4
73.02916	9.3
79.05531	1.7
81.03416	20.4
81.07052	2.0
85.02905	100.0
86.03238	1.9
87.00828	46.0
87.04458	2.0
91.03960	1.5
91.05466	2.2
91.98146	1.2
97.02895	38.5
98.22653	2.3
98.97551	1.6
99.04461	9.7
105.01867	82.0
108.04486	6.9
109.02881	22.7
116.98637	2.4
117.01820	2.4
126.05499	3.3
127.03915	71.7
129.01857	4.5
145.04962	55.0
147.02832	1.6
159.02904	18.6
166.04997	2.3
181.05032	1.4
207.79659	1.2
213.03996	2.9
225.16183	1.4
230.06697	2.6
230.39621	1.5
231.04985	24.0
248.07730	3.6
249.06079	8.9
284.05978	2.3
284.09683	4.2
284.13831	1.4
284.22186	2.2
284.29175	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	284.0991
Annotation	Guanosine
Peak:m/z	Relative Intensity
51.96773	0.1
53.61446	0.1
57.03437	0.3
57.39323	0.1
69.03442	0.2
70.09236	0.4
85.02895	0.2
86.09713	0.2
98.97610	0.8
101.00870	0.5
109.05102	0.5
110.03532	2.0
116.98642	0.4
119.01924	1.0
128.04552	0.4
135.02016	0.3
135.03029	5.3
136.06186	0.3
140.98776	0.2
145.38983	0.2
147.62903	0.2
152.05675	100.0
153.04094	4.4
153.06090	1.0
158.99916	0.5
177.00951	1.8
201.00990	0.4
217.04132	0.6
218.04250	0.2
219.02039	3.3
220.02173	0.2
225.00943	0.4
243.01976	2.3
244.02246	0.3
261.03067	19.3
262.03207	2.1
279.00562	0.8
284.04620	0.5
284.09827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1857
Annotation	Amabiline
Peak:m/z	Relative Intensity
53.03943	1.5
56.96549	0.8
63.00030	0.7
65.61655	0.4
67.05494	1.0
69.07059	0.5
70.06588	13.4
70.40397	0.8
73.06564	0.6
75.43253	0.5
78.17374	0.5
79.05473	0.5
79.45225	0.4
80.05001	4.7
80.17323	0.5
81.07033	0.5
82.06579	0.6
89.06060	0.7
94.06566	9.2
95.07357	0.6
95.08608	1.0
96.99070	0.4
98.22794	0.6
98.97578	2.9
98.98423	0.7
105.07047	1.0
107.07330	1.0
110.09685	7.0
116.98621	1.8
120.08105	2.4
122.09663	85.6
123.10468	12.6
124.11230	0.8
133.52359	0.5
134.99619	0.7
140.10693	52.4
141.11037	0.8
175.82370	0.5
179.03047	0.6
191.49603	0.5
194.15411	1.7
238.06999	0.5
240.15976	0.6
244.48901	0.5
253.06862	0.9
260.99649	1.5
261.03040	0.8
279.00595	1.0
284.18552	100.0
285.18967	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	284.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
54.96476	0.7
55.01867	3.9
55.05514	5.1
56.05032	3.6
56.05834	0.7
57.03445	4.0
57.07064	1.0
58.06591	1.7
60.04536	1.1
65.03935	2.4
67.05160	1.5
67.05507	22.3
69.03421	1.2
69.07081	5.9
69.34164	1.9
69.34550	1.9
70.06592	9.9
71.04993	7.0
72.04502	3.3
74.06091	4.8
77.03934	1.1
79.05492	27.6
81.03448	1.2
81.07056	24.3
82.06571	5.5
82.26769	0.8
83.04977	2.6
83.08610	1.9
84.08136	1.8
85.02908	1.6
85.06538	3.8
86.06060	4.8
86.09693	0.9
87.17512	0.9
91.05479	27.9
93.07046	26.7
94.06563	3.2
95.04965	4.6
95.08609	15.6
96.08128	5.6
97.06532	7.1
98.06076	0.8
98.09667	2.0
98.97585	1.5
100.07629	6.6
105.04542	1.1
105.07026	20.1
107.08589	12.0
108.08099	2.1
109.06518	3.0
109.10155	3.0
110.09681	4.2
111.08077	2.4
112.07584	1.4
113.06010	1.1
115.05470	1.0
116.98641	1.1
117.07034	8.6
119.08590	14.6
121.02877	4.1
121.06526	1.0
121.10126	9.1
122.03150	1.1
122.09666	1.4
123.08099	1.9
124.11238	1.3
124.82302	0.9
125.09673	1.5
126.09162	1.1
128.06219	1.6
128.10710	1.0
129.07031	3.7
131.08565	11.4
133.10127	10.7
134.09644	2.1
134.99722	1.1
135.08026	0.8
135.11688	2.5
136.11191	1.2
137.02359	1.1
137.09608	2.3
138.03122	3.5
138.12805	1.9
140.10692	1.6
141.01840	1.4
142.02211	1.7
142.07791	1.4
143.08554	4.8
145.10117	8.1
147.11665	5.6
148.11180	2.3
149.09579	1.1
149.13252	0.9
151.11090	1.0
153.01788	2.1
157.10126	3.1
159.11688	5.1
161.09587	1.3
161.13260	3.4
165.01851	11.9
166.02184	11.6
171.11661	4.4
173.13281	2.6
175.14821	1.3
183.02870	4.2
184.03300	3.6
185.13284	2.6
187.14824	3.0
201.16312	0.9
213.05486	1.4
213.16405	5.2
225.11351	0.8
229.04933	1.7
230.19153	1.7
231.17395	2.8
235.75392	0.8
236.20129	1.7
248.20116	18.0
249.18422	2.1
249.20638	1.1
255.06525	6.3
256.07193	4.3
261.03214	1.1
266.21149	66.2
267.06482	1.6
267.21539	3.1
283.06018	17.7
284.06552	100.0
284.22195	64.4
285.07202	7.4
285.12476	1.5
285.22504	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	284.295
Annotation	Stearamide
Peak:m/z	Relative Intensity
51.14419	0.3
53.03936	0.7
55.05252	0.6
55.05510	7.6
56.05026	1.4
57.03199	0.4
57.03433	3.1
57.07077	5.9
58.06601	2.1
59.06290	0.3
60.04501	0.4
65.03924	0.6
67.05118	0.4
67.05501	8.5
69.07066	8.7
70.06232	0.7
70.06593	7.7
71.04996	2.5
74.06057	0.7
79.05484	1.3
81.07057	11.6
83.08619	6.0
84.08138	2.1
84.69639	0.3
85.06527	1.0
85.10158	1.3
87.11565	0.4
88.07652	0.5
88.46365	0.4
91.05473	0.4
93.07039	1.1
95.08608	9.8
97.10171	2.9
98.09674	0.6
98.97580	0.7
102.09190	1.4
105.07018	1.3
107.08557	0.7
109.10145	4.4
111.11717	0.9
116.10728	0.4
119.08537	0.7
123.11719	1.1
123.93921	0.4
131.08560	0.4
133.10101	0.6
135.62401	0.3
137.13266	0.6
145.10146	0.5
159.11731	0.4
173.13295	0.4
175.14946	0.4
247.30309	0.4
266.28439	14.4
267.28552	0.4
284.29471	100.0
285.21808	0.8
285.24384	1.1
285.29767	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	284.3313
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
50.01393	0.4
55.05514	0.6
57.07079	5.8
57.71871	0.4
58.06608	1.6
60.08164	20.0
61.18987	0.4
69.07061	0.6
75.50847	0.4
81.07059	0.6
82.48267	0.4
83.77309	0.4
85.10175	1.1
89.22144	0.4
95.08604	0.7
120.96606	0.4
256.26288	0.5
284.33112	100.0
285.33432	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	285.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35156	0.3
54.26092	0.3
54.95493	0.3
55.20152	0.4
56.96551	1.2
57.03429	0.5
58.21746	0.4
59.07833	0.3
61.02921	0.5
62.23418	0.3
63.00035	0.7
70.06597	1.9
73.02898	0.7
81.07057	0.5
82.06599	0.5
82.99841	0.5
85.02906	0.4
86.09704	1.4
87.04457	1.3
87.96742	0.4
88.04816	0.6
88.15740	0.3
91.05472	1.0
95.31404	0.4
98.97587	3.7
98.98476	0.5
99.97903	0.5
100.97176	0.4
101.00889	2.5
102.96880	1.5
103.00603	0.5
105.05504	1.3
105.09902	0.3
106.05831	0.7
106.06507	0.4
112.07580	0.6
116.98653	2.4
117.98994	0.7
119.01940	5.1
119.04951	0.7
120.02026	1.8
120.97928	0.8
121.01678	0.9
121.06515	1.0
124.03934	1.0
124.07603	1.5
125.22093	0.3
134.99658	1.9
137.02936	1.0
137.05981	9.7
138.03078	0.4
152.05681	0.9
153.04118	1.9
153.06013	0.4
153.57114	0.4
154.08568	0.5
159.99963	0.9
165.00072	1.2
177.01007	4.7
178.01053	8.9
179.00706	2.9
183.01103	0.7
183.99951	0.4
185.03030	0.4
197.07782	0.4
201.00877	0.6
202.01067	1.0
203.00745	0.5
215.08800	0.5
216.98808	0.7
218.04248	2.2
219.02020	5.5
219.03899	0.7
220.02133	17.6
221.01833	4.4
225.00917	0.5
226.00993	1.9
227.00764	0.5
234.99634	1.0
236.99414	0.4
238.98415	2.9
243.01910	2.2
244.02148	8.2
245.01834	2.2
260.99954	1.1
261.03055	14.5
262.03198	100.0
263.02872	23.4
267.03589	0.6
279.00677	1.1
280.00922	1.9
281.00073	1.0
284.29596	0.5
284.96689	0.5
285.00055	1.7
285.04886	3.9
285.09512	0.5
285.14468	0.7
286.04398	0.8
286.12723	0.5
286.15558	0.9
302.97806	0.5
303.00732	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	10.0
62.73919	7.9
63.00038	10.5
67.05511	20.3
70.31641	15.3
75.69048	8.1
79.05511	21.8
81.03423	100.0
81.07057	16.9
83.08614	24.1
91.05470	20.3
93.07075	10.9
95.04976	29.8
95.08632	17.0
98.22688	9.5
98.97586	10.1
105.07033	9.6
116.98569	7.9
121.10209	9.5
122.34418	7.9
129.92259	10.1
131.08607	8.3
137.94981	7.7
147.11766	10.9
187.25348	7.4
193.12292	41.2
214.18958	7.9
229.07512	8.1
247.08687	13.3
267.15866	11.9
271.47678	9.7
285.07581	14.2
285.10645	15.7
285.24292	12.4
285.74097	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	285.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24710	19.1
55.05512	21.5
60.82698	17.3
62.56720	21.9
67.05500	28.9
69.49727	92.5
81.03412	42.5
84.08144	19.9
86.09704	18.3
87.05558	36.6
91.05466	33.1
93.07053	21.8
98.97601	26.3
100.11227	32.6
119.08542	21.3
120.96703	20.5
131.08507	19.8
187.07133	39.2
193.12254	39.2
197.65430	17.4
223.33690	17.2
226.34897	18.8
285.10910	100.0
285.13800	31.4
285.24399	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89353	0.7
57.75365	0.6
60.75920	0.7
66.50357	0.6
67.05508	1.4
70.06571	1.1
72.04520	51.4
74.09719	4.0
75.69221	0.6
79.05500	1.2
81.07042	1.1
84.08152	1.1
86.09728	3.7
91.05498	1.3
95.08611	0.9
100.07619	100.0
100.11263	2.1
101.07962	0.9
105.07026	1.4
107.04986	1.7
121.06576	0.7
143.08525	0.7
145.02853	0.8
147.14124	0.6
152.07051	2.1
155.01614	1.1
157.31613	0.8
165.05620	0.6
225.08801	0.8
257.03714	0.7
266.09332	0.7
267.20990	0.8
268.10022	7.3
284.29437	0.7
285.04025	1.4
285.07938	1.6
285.12659	35.8
285.24539	0.8
285.74194	0.8
286.13046	1.4
297.91919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
56.17923	0.3
58.84653	0.3
63.00064	0.4
66.71871	0.3
71.04978	0.4
76.90484	0.3
81.03412	0.4
81.07055	0.5
81.08710	0.3
86.09695	0.6
98.97592	0.6
98.98508	0.4
100.11256	0.5
109.80228	0.4
119.08624	0.4
229.09270	0.6
247.10295	0.9
268.79391	0.3
285.13074	100.0
286.10513	0.5
286.13324	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	285.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
58.76056	0.3
60.13916	0.4
61.89210	0.4
67.05501	0.7
69.07099	0.7
69.66820	1.7
75.81425	0.4
79.05523	0.7
81.03413	1.5
81.07047	0.8
85.02904	0.5
91.05486	0.4
95.04978	0.5
97.02926	0.5
105.07020	0.5
197.74434	0.5
285.13092	100.0
286.13437	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37719	1.1
55.01865	4.2
55.05518	1.4
57.03442	7.1
63.00019	1.3
67.05502	1.6
70.06580	1.8
71.47071	1.3
75.04468	1.9
76.91393	1.0
77.03902	1.3
78.04677	1.1
79.05495	3.8
81.07030	1.1
83.08633	1.6
85.02933	1.7
91.05492	17.7
93.07040	2.9
95.04973	3.5
95.84592	1.3
96.88083	1.2
100.11246	6.1
103.05469	5.9
105.03403	4.9
105.07038	19.3
106.04197	1.9
107.04975	11.8
108.05717	2.0
109.06531	5.1
115.05444	4.9
118.04163	1.8
119.04938	26.2
121.06509	13.5
122.07302	2.0
123.08059	2.1
125.02317	1.1
125.06029	1.6
133.06493	19.1
134.03635	3.6
135.04431	6.7
135.08089	2.0
136.05202	6.3
137.05975	2.9
139.07593	1.3
140.04681	11.4
140.11714	1.3
143.06055	1.5
147.04436	7.2
149.04825	2.0
149.05988	19.3
151.07549	17.6
152.04660	2.0
153.05469	100.0
154.06131	1.8
161.05988	37.8
162.06366	1.5
165.05487	2.5
167.07040	19.3
168.07825	89.0
169.08220	2.4
177.05521	3.4
179.07048	11.6
181.08609	5.4
182.09364	1.8
193.08603	44.8
194.09001	1.9
196.07314	71.5
197.07755	2.4
209.08067	8.6
210.08778	2.5
211.09659	75.6
211.82365	1.4
212.09984	1.8
225.09325	1.6
242.07741	1.5
258.81558	1.4
267.08502	1.2
268.09674	1.8
285.09213	3.9
285.12274	2.9
285.24240	5.5
285.74316	2.0
286.10907	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	285.1698
Annotation	Hysterone D
Peak:m/z	Relative Intensity
51.92688	0.7
53.03948	2.1
55.01880	2.6
55.05251	1.3
55.05509	15.5
57.03439	25.4
57.07066	3.5
57.11676	0.6
59.04992	1.4
60.04298	0.7
63.66596	0.7
65.03942	1.1
67.05506	19.8
69.03437	3.8
69.07067	6.5
70.19613	1.4
71.04996	6.3
71.08617	1.1
79.05495	18.4
81.03419	100.0
81.07059	26.6
81.07551	0.7
82.03739	1.8
83.04986	10.9
83.08119	1.6
83.08621	30.7
85.02906	44.0
85.06537	2.4
85.10146	0.7
87.04476	0.8
91.05479	22.7
93.07049	14.9
95.04971	32.0
95.08605	8.7
96.05307	0.8
96.55027	0.7
97.02888	3.9
97.06521	4.1
97.10166	3.6
105.07036	18.2
107.04967	5.9
107.08593	6.4
109.06548	4.4
109.10170	3.9
111.04433	3.4
111.08077	13.9
113.06018	2.9
115.05453	0.9
117.06989	1.9
119.08583	18.9
121.06509	1.7
121.10135	10.7
123.08073	2.0
123.11722	3.0
125.09644	1.2
129.07018	10.5
131.08563	9.5
133.06477	3.2
133.10138	7.8
137.09621	2.3
141.39346	0.9
142.07825	2.5
145.10132	1.3
147.08070	3.5
147.11685	19.1
149.09618	6.5
157.10121	14.5
163.11215	1.0
165.12767	4.7
175.11189	20.6
176.11513	0.7
193.12247	84.3
194.12546	2.9
211.13295	53.6
212.13660	1.7
229.14355	1.9
230.24849	1.0
249.15015	0.7
267.15909	15.6
284.29367	1.2
285.16962	74.9
285.24033	2.6
285.29782	2.8
286.17365	3.6
286.31094	5.4
309.13913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.3
55.05515	35.1
57.03178	6.9
57.03437	60.7
62.40782	5.5
67.05499	82.9
67.47536	4.9
69.07053	22.3
69.20605	4.8
71.04985	11.6
74.42600	5.4
77.03490	4.7
77.03902	6.5
79.05490	62.8
80.07323	4.9
81.03413	95.7
81.07059	80.1
83.04984	29.8
83.08624	40.4
85.02896	61.7
87.04459	22.4
91.04950	6.3
91.05482	69.3
93.07062	45.5
95.04978	64.9
95.08611	42.0
97.06519	12.3
97.10144	5.8
101.67153	5.0
105.07027	58.3
107.04962	12.5
107.08598	39.3
109.06535	11.6
109.10153	19.5
111.08063	17.9
115.36403	4.7
119.08572	49.1
120.96651	9.3
121.10120	27.1
123.11716	14.5
123.54727	5.3
129.06989	17.2
131.08563	24.2
133.06543	7.4
133.10109	35.0
135.08032	5.7
137.09637	6.6
145.10124	5.6
147.08060	6.3
147.11667	27.8
149.09628	28.3
151.11165	14.5
157.10112	26.9
159.11745	7.8
164.91962	9.1
165.12787	11.5
175.11227	30.1
187.14769	6.3
193.12239	99.8
211.13304	59.0
250.52531	4.7
267.15997	10.9
268.26218	10.4
276.45071	5.0
285.16977	100.0
285.22046	10.4
285.29172	5.1
286.17477	6.5
286.27310	6.9
308.21548	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	285.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99808	27.1
67.05505	25.5
69.07076	61.6
77.03574	27.2
81.07066	51.9
93.07038	32.5
95.04994	27.8
95.08604	62.0
95.60011	23.9
97.06599	25.1
105.07043	100.0
107.08616	51.9
109.06580	28.2
109.10175	43.2
111.08173	24.6
119.08607	90.6
121.10104	26.2
133.10155	61.5
142.08707	24.0
161.09605	93.3
175.14838	37.3
193.16039	24.8
285.22189	52.1
285.33301	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2215
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03941	2.4
55.05508	17.4
57.07063	7.1
61.14635	1.8
64.17381	2.1
67.05173	2.4
67.05504	40.6
69.07062	24.4
70.55883	1.9
71.08610	2.4
79.05492	33.4
81.07057	66.7
82.07388	3.1
83.08629	12.5
90.48121	2.0
91.05482	26.8
93.07045	42.3
95.04951	3.4
95.08606	100.0
97.10153	3.5
100.19946	2.0
105.07032	58.8
107.04961	3.4
107.08585	44.5
109.10168	24.7
111.11717	2.8
117.06984	5.7
119.07740	3.6
119.08577	55.9
120.96645	5.1
121.10159	23.6
123.08068	2.4
123.11684	5.9
131.08548	21.5
133.06491	3.3
133.10121	30.3
135.08163	2.3
135.11745	9.7
137.13277	4.5
145.10135	30.7
147.11699	25.6
147.56161	2.0
149.13257	19.6
157.10130	2.2
159.11694	20.1
161.09651	2.5
161.13268	19.0
163.14816	5.7
171.11551	2.5
173.13255	17.0
175.11243	3.4
175.14822	25.8
187.14832	16.6
189.12851	2.3
189.16383	2.2
199.14879	2.3
201.16412	12.7
202.17183	2.9
203.14291	7.2
213.16348	2.8
229.15854	2.8
257.22531	9.9
267.20856	4.0
285.22113	75.3
285.33356	13.0
286.22354	4.2
286.30966	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	285.2214
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
53.03944	2.1
55.05512	16.8
57.07072	10.4
58.06573	1.5
62.06089	3.7
67.05156	1.9
67.05504	33.3
69.06706	1.8
69.07070	27.4
69.92480	1.6
69.92793	0.9
71.08622	4.4
72.73922	0.9
79.05498	22.9
81.07058	49.4
83.08630	8.8
85.10190	0.9
90.13818	1.1
91.05482	18.4
92.18413	0.9
93.07050	28.0
95.04969	2.7
95.08608	67.3
96.08961	1.6
97.10152	4.7
97.88656	1.1
98.23383	1.2
103.05455	2.1
105.03481	1.1
105.07034	100.0
106.07363	2.6
107.04963	3.7
107.08593	34.6
109.06525	2.9
109.10153	23.0
111.11713	4.4
117.07016	4.9
119.04926	1.3
119.08583	47.1
120.08926	0.9
121.10151	15.9
123.11729	6.1
129.06998	1.2
130.07816	1.7
131.08560	24.4
133.06509	4.1
133.10126	23.4
135.08025	1.9
135.11745	5.2
137.13275	2.1
143.08588	2.7
144.09422	1.3
145.10127	33.4
147.08044	1.1
147.11694	30.5
149.13255	9.3
155.08562	1.1
156.09428	1.2
157.10152	3.7
158.10968	1.4
159.11703	14.7
161.09616	1.9
161.13257	17.9
163.14874	3.1
164.92201	1.1
171.11661	1.8
173.09683	1.3
173.13254	15.2
174.18542	2.1
175.11160	1.8
175.14832	18.7
185.13126	1.8
187.11272	1.1
187.14830	12.1
189.12747	1.3
189.16414	1.9
197.13383	1.9
199.14771	1.1
201.16397	9.4
203.14339	3.5
211.14955	1.5
212.23741	3.8
213.16273	1.0
215.14197	1.2
215.18076	1.1
229.15912	1.5
230.24792	16.9
257.22607	9.7
258.80579	1.0
267.21085	3.2
275.55057	1.0
285.22168	43.7
286.22577	2.2
286.31039	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2426
Annotation	Tanikolide
Peak:m/z	Relative Intensity
53.03962	0.4
53.81711	0.4
54.83390	0.4
55.05510	6.5
55.65944	0.4
57.03441	24.5
57.07079	57.7
59.34924	0.4
63.42160	0.5
67.05508	11.6
69.07072	13.9
70.06345	0.6
70.06699	1.0
71.05015	0.7
71.08633	39.3
72.53707	0.5
75.04492	0.5
79.05503	1.1
81.07059	15.5
83.04989	0.7
83.08626	5.8
85.06561	1.0
85.10185	18.7
87.04480	0.5
89.06033	4.2
93.07063	1.1
95.08609	24.8
96.08920	0.5
97.06525	0.5
97.10166	5.4
99.11700	0.5
103.07596	3.4
105.07066	0.6
107.08610	0.7
109.10159	11.6
111.11731	3.2
113.13304	0.5
117.09116	1.0
121.10133	0.6
121.60544	0.5
123.11725	4.0
131.10750	0.4
135.11740	0.7
137.13231	2.0
139.11266	0.4
159.11743	0.5
161.56181	0.6
165.95032	0.4
211.20567	7.3
229.21649	7.2
270.24332	0.7
285.24252	100.0
286.24615	4.2
286.31067	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	286.2014
Annotation	Heliovicine
Peak:m/z	Relative Intensity
50.66827	0.4
53.59731	0.4
53.60516	0.3
55.05501	1.5
57.03653	0.4
68.05023	0.5
69.07059	0.7
69.55988	0.9
69.56380	0.9
70.06582	3.2
72.08147	0.4
73.06540	1.5
75.50678	0.4
75.77898	0.4
79.05514	0.6
81.07064	0.7
82.06586	1.5
84.08146	2.4
86.09687	0.8
89.52291	0.4
91.05472	2.4
96.08133	3.3
98.97616	0.4
112.07611	0.5
115.11269	0.4
117.09071	0.5
119.04916	0.8
122.09661	1.6
124.11227	32.8
125.11976	1.4
142.12268	59.7
143.12628	1.2
172.07549	0.4
200.07109	0.8
210.09000	0.4
226.08723	0.5
228.06561	0.9
242.08054	0.7
242.17462	2.4
243.08841	0.6
254.08221	0.4
258.11240	1.3
268.19070	2.0
285.09048	0.4
286.10834	9.8
286.20114	100.0
287.10944	0.9
287.13705	0.4
287.20386	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	286.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00611	1.1
53.03935	1.7
55.01875	2.4
55.05508	7.6
55.44971	1.4
56.00323	1.3
56.05015	3.7
56.13606	1.1
57.03431	5.2
67.05506	26.7
67.67257	1.3
69.07053	4.2
70.06594	13.5
70.39368	1.4
70.39701	1.3
71.04991	22.4
79.05493	25.7
81.07056	27.4
82.06561	2.3
83.04992	2.5
83.08611	3.1
84.08147	5.2
85.06539	3.2
91.05475	22.4
93.07043	32.3
94.06516	1.5
95.04960	3.7
95.08610	23.3
96.08132	8.5
97.06525	5.8
105.07034	16.2
107.08592	16.0
109.06547	1.9
109.10152	6.3
110.09657	6.8
111.08093	2.3
117.07026	3.3
119.08590	12.0
121.10153	7.1
122.09731	1.5
123.11703	2.0
124.11250	3.4
125.09624	2.3
127.07525	1.3
131.08562	5.4
133.10143	8.9
135.11665	4.8
136.11201	1.6
137.09593	2.5
143.19923	1.4
145.10110	7.0
147.11658	4.6
149.13237	2.4
151.32936	1.3
159.11705	5.1
160.38063	1.3
161.13275	2.4
164.14403	1.9
166.11066	1.3
168.13892	1.8
173.13269	1.4
187.14828	1.5
215.17920	1.9
220.20480	2.3
250.21658	28.5
259.88348	1.4
268.22729	52.3
269.23059	1.6
271.90881	1.3
286.10568	14.3
286.23761	100.0
287.05423	1.5
287.24136	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	286.2377
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14632	0.7
55.01895	1.6
55.05512	7.8
55.05733	0.6
56.05062	2.1
57.03461	3.2
57.07088	1.4
58.06618	1.1
65.03963	1.9
67.05507	30.5
69.07072	7.6
70.05214	2.1
70.06590	8.1
71.04996	6.7
72.04520	4.3
74.06100	1.9
77.03950	1.0
77.93720	0.7
79.05051	1.9
79.05496	20.5
79.05935	1.3
80.05039	1.0
81.07060	36.3
82.06605	3.0
82.07412	1.0
82.69332	0.7
83.05003	1.5
83.08624	4.8
84.08178	0.9
85.06561	4.7
86.06055	4.5
90.19846	0.6
91.05482	13.4
91.05970	1.0
93.07050	24.7
94.06546	3.3
95.05007	2.4
95.08610	27.6
96.08145	4.4
97.06553	2.7
97.10178	1.0
98.09680	4.0
99.08102	1.3
100.07631	1.3
105.07027	9.0
107.08600	16.5
108.08158	3.2
109.06548	2.5
109.08926	1.2
109.10157	7.9
110.09701	1.8
111.08115	2.8
112.07623	2.0
112.11264	1.3
117.07039	2.8
119.08589	7.2
120.08125	0.8
121.08820	0.8
121.10133	9.2
121.10833	0.7
122.09688	1.8
123.08115	0.9
123.10595	0.6
123.11742	2.1
124.11300	1.4
126.09190	1.2
131.08556	5.2
133.10130	6.7
134.09700	1.1
135.11673	4.3
136.11259	1.9
137.09648	1.7
138.12813	1.5
140.10732	1.4
145.10126	8.6
147.11720	3.0
148.11253	1.0
149.13290	2.4
150.12776	0.8
151.11247	0.9
152.00066	0.7
156.13907	1.2
159.11694	4.3
161.13312	1.4
164.14412	0.9
173.13335	1.5
175.14763	0.8
210.18460	0.9
215.17978	2.3
222.18542	1.0
232.20595	1.2
233.18993	5.0
233.21114	1.0
248.20122	2.6
250.21666	37.7
251.19910	4.1
251.22314	1.3
262.33395	0.7
266.46152	0.7
268.22720	100.0
269.23026	5.2
285.29617	0.7
286.20541	1.7
286.23761	36.6
287.05331	1.0
287.24103	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	7.2
56.05038	1.5
57.03437	3.6
58.06584	2.4
67.05508	16.8
69.07069	6.8
70.06599	18.2
70.13488	1.1
71.04993	1.8
71.46118	1.1
74.42643	0.9
79.05504	5.7
81.07059	23.4
83.04973	1.1
83.08610	3.9
84.08150	2.0
85.06530	1.7
91.05492	4.7
93.07056	8.6
95.08617	21.2
96.08922	1.0
97.06531	2.0
97.10196	2.3
105.07036	3.5
107.08604	6.7
109.06515	1.2
109.10165	10.2
111.08096	1.2
111.11722	1.6
111.19727	0.9
117.06989	1.6
119.08597	4.4
121.06487	1.0
121.10133	5.5
123.11709	2.7
131.08582	2.6
133.10164	2.5
135.08051	1.3
135.11699	4.1
137.09644	2.2
145.10095	1.8
149.09628	1.0
149.13277	2.4
150.58890	1.0
151.11145	1.5
159.11705	2.4
161.13249	1.5
167.10747	1.1
177.16426	1.0
181.46420	1.0
192.88315	1.1
215.17976	2.6
222.22203	2.5
224.23799	1.1
233.19069	2.2
250.21664	17.3
251.20082	4.5
256.99078	0.9
268.22729	94.2
269.23126	3.2
286.23779	100.0
287.12540	42.7
287.24127	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	286.2378
Annotation	Myristoyl-Gly-OH
Peak:m/z	Relative Intensity
55.01855	4.0
55.05262	1.4
55.05508	16.5
56.05028	4.2
57.03433	2.2
57.07058	2.9
57.58647	1.4
58.02960	1.6
58.06615	1.7
60.04524	39.8
65.03932	2.4
67.05160	2.3
67.05502	37.1
69.07069	14.0
70.06587	5.5
70.27280	2.9
71.04975	4.5
72.04514	10.7
72.36411	1.2
79.05489	18.1
80.05011	1.5
80.51590	1.0
81.07053	45.0
82.06564	2.9
83.04974	2.4
83.08617	8.7
84.04530	3.4
84.08122	3.0
85.06529	2.7
86.06047	3.4
91.05483	15.4
93.07037	20.7
94.06549	2.1
95.04942	3.1
95.07332	2.8
95.08601	36.4
96.08113	4.8
97.06508	5.4
97.10149	4.2
98.06045	2.5
99.08067	1.5
102.35738	1.2
105.07013	7.3
107.08586	10.9
108.08005	1.3
109.06487	2.0
109.10150	16.5
110.09685	3.8
111.08078	4.2
111.11713	1.7
112.07591	2.6
115.80191	1.2
117.07012	2.7
119.08544	7.8
121.06440	1.3
121.10143	12.8
122.09650	2.0
123.08105	1.8
123.11705	4.7
128.10715	1.6
131.08563	4.8
133.10146	7.0
134.09633	1.5
135.11690	6.9
137.13252	1.3
144.08130	2.1
145.10085	3.7
147.11690	3.5
148.11160	1.6
149.13269	3.3
153.05800	1.2
156.28148	1.2
159.11693	2.2
161.13234	2.3
169.07626	2.5
173.13231	1.6
189.16414	3.6
207.17490	1.8
215.17876	2.0
221.18993	1.6
233.18976	3.6
238.21634	12.5
240.23294	2.6
250.21617	18.2
251.20082	3.7
256.22678	9.4
268.09860	1.3
268.22705	52.3
269.22989	2.4
283.71576	1.2
286.10742	1.5
286.13342	12.3
286.23746	100.0
287.23898	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	287.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25600	0.4
56.96564	1.1
69.74962	1.3
70.06603	0.5
70.98119	0.5
72.08148	0.8
85.02915	0.7
91.05481	0.9
91.62280	0.5
98.23573	0.5
98.97589	1.2
98.98502	0.6
102.54921	0.4
106.06544	0.8
107.04900	0.6
107.06883	0.4
111.11697	0.7
116.98588	0.4
120.05669	0.4
120.08110	1.7
120.58225	0.3
121.06498	1.9
122.06027	1.3
123.04459	0.7
125.05757	0.5
125.07114	0.7
125.07938	0.6
135.02655	0.5
138.05324	0.5
138.06372	0.4
138.09154	0.7
139.03922	0.4
150.05504	5.9
151.02141	0.4
163.82021	0.4
165.05635	0.4
165.07874	5.0
166.03242	7.9
181.03204	0.9
190.95493	0.4
192.02721	0.4
198.05812	2.5
207.04782	1.2
211.85481	0.4
221.04932	0.5
242.08401	0.4
244.99730	0.7
253.05516	0.5
253.08618	0.7
264.02988	0.8
270.07889	2.0
270.10992	0.7
287.11002	100.0
288.11298	3.1
296.99539	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1256
Annotation	CAY10616
Peak:m/z	Relative Intensity
55.05524	0.9
67.05500	2.0
69.07058	1.2
79.05496	2.4
81.07056	3.6
91.05481	5.6
93.07042	2.9
95.04955	0.9
95.08611	4.5
105.07017	3.6
107.08601	2.1
109.10168	1.6
111.08062	3.4
111.11665	1.0
117.07011	1.1
119.08583	4.1
121.10140	0.7
123.08054	0.8
125.53119	0.6
131.08508	1.1
133.10088	1.6
135.11694	1.2
136.20847	0.7
137.05885	0.7
145.10172	1.7
147.11667	1.3
149.06071	0.8
149.13329	1.1
157.10109	1.0
185.13252	0.8
203.12666	0.9
227.17952	1.1
229.19524	5.1
233.09686	2.4
269.22763	2.2
287.05630	2.1
287.09357	3.9
287.12540	100.0
287.23615	9.0
288.10037	0.7
288.12875	4.9
288.15765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1256
Annotation	CAY10616
Peak:m/z	Relative Intensity
52.58335	0.3
56.61070	0.3
59.71650	0.3
64.70478	0.3
67.05518	0.3
69.07068	1.1
69.50093	1.0
81.07045	0.9
87.37100	0.3
91.05520	0.3
93.07027	0.7
93.96817	0.3
95.08595	0.8
105.07024	0.6
107.08640	0.6
108.60851	0.4
115.05469	1.0
118.49181	0.3
133.10191	0.4
135.11707	0.5
143.04921	3.0
145.10080	0.3
153.12723	0.7
159.11754	0.3
163.11133	0.4
171.11490	0.4
201.16376	0.4
214.21652	0.3
217.14272	0.4
250.34982	0.4
269.19229	0.4
287.12537	100.0
288.12857	4.7
288.25381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1392
Annotation	3-sec-Butyl-3-hydroxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
55.05502	1.4
55.96098	0.5
56.96562	1.4
69.07053	1.6
70.06589	2.2
71.45452	0.6
72.08138	1.4
79.05486	1.0
86.09695	0.6
91.05412	0.5
93.07054	0.7
98.04251	0.5
107.04983	2.8
114.09179	3.1
135.08075	0.8
137.05916	0.7
157.59619	0.7
163.07523	2.1
167.07013	5.7
177.06783	1.8
195.10170	1.8
201.06506	0.7
205.03931	0.8
211.09666	0.6
213.11168	1.4
215.11858	1.3
216.12451	0.8
220.06471	0.9
224.81578	0.7
227.05936	2.8
227.11742	0.9
229.09746	6.6
240.93137	0.7
243.11255	4.4
244.12010	3.2
245.06960	2.8
250.97562	0.7
255.11360	1.2
271.10764	14.3
272.11545	21.6
273.11823	0.9
287.13889	100.0
288.14313	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	287.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51147	0.8
53.17352	1.0
55.01873	0.9
55.05508	3.3
56.05038	5.6
58.06599	1.1
60.04515	2.8
60.05664	1.1
63.00016	1.2
64.17263	0.8
67.05505	23.5
68.05031	1.9
69.07068	5.3
70.02953	15.2
70.06588	3.8
71.04990	2.1
72.04511	1.2
73.02914	2.5
78.53630	0.7
79.05490	4.7
80.05019	3.4
80.28411	0.8
81.05762	1.2
81.07052	6.0
82.02935	1.7
82.06580	3.9
83.04955	1.2
83.08619	1.1
84.04498	3.7
84.08132	1.9
85.02866	1.1
87.05597	15.8
88.04002	5.6
91.05464	6.6
93.07046	7.8
94.06565	2.2
95.04948	1.0
95.08601	13.7
96.04490	9.9
97.30821	0.9
98.09634	1.0
98.98475	1.3
99.00804	2.7
99.04454	1.2
100.03974	3.2
105.07009	1.2
106.06594	1.0
107.08594	3.1
108.04467	20.9
109.05251	2.4
109.10156	26.5
109.10892	1.7
110.06038	1.9
110.09722	0.9
111.08052	1.0
111.11702	1.0
114.05573	1.0
119.08589	8.2
122.06042	3.2
126.05513	2.0
128.07045	0.9
134.09631	1.6
135.08054	5.7
136.07549	5.2
136.11217	14.9
137.09621	25.0
138.12752	1.8
140.07083	1.0
146.09612	1.6
152.14355	1.5
154.04999	3.6
154.12271	16.0
155.10701	1.1
162.12790	2.3
164.10736	13.6
166.12282	5.7
172.13326	19.5
173.11734	5.8
177.06757	1.1
178.12273	16.3
180.13828	27.3
182.11786	10.4
184.13306	5.4
188.10718	8.8
190.95547	1.2
192.10358	1.0
196.09561	0.9
196.13377	2.0
198.14891	3.0
206.11772	62.5
207.12187	1.4
208.13341	2.2
210.11264	10.5
222.92145	1.0
223.14406	3.7
224.12817	51.8
225.13113	1.8
226.14362	1.3
228.12331	4.2
241.15453	18.0
242.13910	13.6
243.17078	3.7
252.12328	5.3
269.15073	3.2
270.13239	2.2
287.16028	100.0
288.16360	4.4
293.11523	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1644
Annotation	4-Hydroxyestrone
Peak:m/z	Relative Intensity
53.03962	1.2
55.01889	0.9
55.05516	1.9
57.07082	4.0
64.45975	0.7
66.28450	0.8
67.05506	5.1
69.02834	0.7
69.03428	11.1
69.07079	5.9
69.94296	2.2
70.06583	3.6
70.60320	0.8
71.08637	1.6
74.10458	0.8
79.05491	8.6
81.07061	11.4
83.04958	1.2
88.07633	4.5
91.05482	5.6
93.07049	17.0
95.04987	3.1
95.08614	4.8
97.06532	1.5
103.05498	0.9
105.07034	18.4
106.07846	0.9
106.08669	3.3
107.04985	2.0
107.08604	14.2
109.02924	1.1
109.06524	9.8
109.10162	3.1
111.04443	11.9
117.07032	1.1
119.04964	1.0
119.08601	7.2
121.06554	1.7
121.10149	100.0
122.10488	2.3
123.04470	1.0
123.08076	3.9
123.11735	1.0
125.06000	26.2
128.06277	1.0
129.05440	1.9
131.08540	1.6
133.06526	1.3
133.07597	2.4
133.10121	5.3
135.04425	3.2
135.08102	1.5
135.11699	5.3
137.05983	17.5
143.08575	2.6
145.10115	3.2
147.08057	3.5
147.11708	1.5
149.09613	1.6
151.07559	19.2
155.93144	0.8
157.10149	3.3
159.07974	1.0
159.11696	4.2
161.09639	4.5
161.13271	2.2
163.07507	1.9
165.09076	5.2
167.07034	11.4
171.11685	1.5
173.09583	0.8
173.13237	2.1
175.07584	2.7
175.14893	1.1
177.09062	1.4
179.08681	0.8
183.11830	1.1
185.09671	1.3
185.13237	3.2
187.11224	1.3
189.09120	2.3
193.08531	1.9
199.14772	2.6
201.12744	1.7
201.16412	2.7
203.14378	5.3
213.16530	1.0
217.15921	1.9
227.14282	4.2
229.12279	1.8
230.13165	1.6
240.77872	0.9
244.14561	3.1
245.15384	48.2
246.15732	2.1
250.01442	0.9
258.04352	1.0
269.15469	4.6
269.18964	1.1
269.22723	3.2
287.16428	93.0
287.19809	4.1
287.23581	4.5
288.16739	4.2
288.28961	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	287.237
Annotation	Helicallenal
Peak:m/z	Relative Intensity
53.03944	2.2
55.05255	1.7
55.05510	16.2
57.03442	1.7
57.07082	7.1
59.04992	2.7
63.14968	1.1
67.05221	1.9
67.05511	22.7
69.03429	25.1
69.07062	17.6
71.04986	6.2
71.08631	2.3
71.46680	1.3
79.05489	17.7
81.07058	65.3
83.04910	1.6
83.08620	7.9
86.96585	1.4
91.05476	16.1
93.07045	43.6
95.04961	3.3
95.08604	51.2
97.06522	14.0
97.10162	3.8
99.08071	1.7
105.04503	1.4
105.07029	48.5
105.54170	1.2
107.08592	57.3
107.44660	1.4
108.08918	1.8
109.06525	9.1
109.10154	51.1
111.08124	6.1
112.06754	1.2
113.09641	1.9
117.07013	3.3
119.07735	2.8
119.08584	52.0
121.06503	2.4
121.10145	48.3
123.08084	7.5
123.11710	21.7
125.09634	23.5
127.11132	3.4
129.01837	8.2
129.06958	2.0
131.08569	12.9
133.09172	2.3
133.10127	34.0
134.10370	1.4
135.08025	2.8
135.11693	21.7
137.09593	4.0
137.13254	2.8
139.11169	6.2
142.07794	3.2
143.08580	7.4
144.09416	2.5
145.10127	20.2
147.10573	2.8
147.11678	37.3
148.11935	1.8
149.09576	2.1
149.13260	28.8
151.11189	5.2
156.09436	1.8
157.10139	15.8
158.10770	1.8
159.11691	31.1
159.76703	1.3
161.13261	20.5
161.97107	1.2
163.11182	3.9
163.14821	12.7
165.12764	7.2
170.10919	1.5
171.11679	11.3
173.13258	18.7
174.61731	1.5
175.14807	12.4
177.12759	3.7
177.16399	7.9
179.14352	1.6
185.13257	9.5
187.14810	9.4
189.12759	2.6
189.16388	7.2
191.14250	3.4
191.17931	4.1
199.14813	16.2
201.16362	13.8
203.17955	37.5
204.18282	1.5
205.15810	1.6
213.16374	16.1
215.17978	3.2
217.15880	3.4
227.17906	7.0
229.19556	12.3
231.17456	2.8
241.19452	3.1
259.20816	1.6
259.24298	2.4
268.53000	1.5
269.22638	51.7
270.23044	2.0
287.23685	100.0
287.31415	3.1
288.24011	5.1
288.29123	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.237
Annotation	Helicallen-16-al
Peak:m/z	Relative Intensity
55.01873	1.5
55.05508	10.9
57.07068	4.6
59.04992	1.5
67.05502	20.9
69.03420	2.4
69.07068	17.3
69.89239	2.1
69.89571	3.4
71.04984	2.4
79.05487	11.5
81.07055	41.7
83.04998	1.9
83.08613	5.0
85.06554	2.3
91.05477	11.1
93.07037	26.2
95.04967	3.3
95.08604	33.5
96.08907	3.3
97.06529	5.8
97.10169	3.0
103.72723	1.3
105.07024	29.1
107.08588	29.9
108.08921	2.0
109.06515	3.4
109.10161	27.6
111.08056	3.2
117.07023	4.4
119.08572	25.8
121.06500	1.5
121.10142	23.4
123.08088	7.7
123.11702	11.4
125.09635	2.5
128.06157	1.5
131.08549	12.8
133.10126	15.0
135.11696	19.0
137.09579	4.8
137.13257	2.2
139.11172	3.2
143.08543	6.6
145.10114	14.0
147.11679	21.7
149.09627	3.1
149.13246	12.7
151.11174	3.5
157.10098	9.1
159.11670	17.6
161.13260	17.0
163.11215	2.0
163.14856	4.5
165.12772	19.9
171.11670	7.0
173.13275	9.9
175.14919	6.8
175.95825	1.3
177.06773	1.7
177.12761	3.3
177.16420	3.2
179.14333	3.0
185.13254	4.7
187.14841	7.0
189.16368	4.1
191.14265	4.1
199.14789	10.3
201.16417	5.6
203.17932	3.8
205.15915	4.3
213.16367	9.3
215.17944	1.7
227.17940	4.0
229.19466	8.6
231.17395	3.3
241.19455	1.9
253.06754	1.6
269.22653	31.7
270.23071	1.8
287.05423	1.9
287.23679	100.0
287.31281	4.6
288.23978	3.5
288.29044	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	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
55.05503	13.8
57.07063	8.2
67.05508	17.7
69.03421	2.5
69.07069	25.5
69.10985	14.9
71.04973	2.9
71.08636	2.4
79.05492	15.0
81.07059	50.5
83.05002	2.8
83.08620	9.8
85.06545	3.0
91.05477	13.4
93.07047	37.4
95.04976	5.2
95.08607	37.1
97.00521	2.2
97.06522	22.0
97.10164	3.2
105.07033	32.7
107.08604	37.0
109.06507	6.1
109.10145	27.4
111.08073	6.9
113.09651	2.9
117.07008	4.2
119.08588	33.6
121.10152	34.3
123.08084	5.8
123.11713	18.9
125.09549	2.5
129.01901	1.9
129.06978	2.8
131.08557	10.4
133.10129	21.5
135.08051	7.1
135.11716	31.7
137.13234	5.0
143.08563	5.3
145.10141	16.3
147.11716	20.8
149.09627	2.6
149.13274	11.6
151.11188	6.9
151.14919	1.9
157.10165	12.3
159.11691	14.7
161.09689	3.4
161.13266	10.5
163.11308	2.7
163.14859	4.4
165.09157	3.1
171.11710	7.4
173.13312	13.7
175.11140	2.1
175.14815	13.5
177.16418	10.4
185.13213	6.1
187.14832	8.2
189.12830	2.6
189.16370	7.8
191.17908	9.3
199.14841	8.0
201.16377	10.4
203.14336	5.2
203.17966	9.4
213.16374	10.0
215.18027	2.7
217.15881	3.2
227.18004	5.8
229.19406	4.8
231.17369	4.4
240.91995	2.8
243.21004	5.0
259.24176	3.9
269.22601	33.0
287.05539	2.5
287.16565	3.7
287.20383	5.4
287.23679	100.0
287.31180	5.0
288.24057	5.1
288.28979	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	287.2371
Annotation	Helicallenal
Peak:m/z	Relative Intensity
55.05518	13.1
57.07069	5.2
62.66150	3.7
67.05495	12.6
69.03442	3.0
69.07069	24.7
70.15414	2.6
79.05487	9.2
81.07063	30.6
83.08626	9.2
91.05482	8.3
93.07046	19.5
95.08609	21.4
97.06535	4.9
97.10154	3.8
105.07042	18.5
107.08619	18.5
109.06468	4.6
109.10160	18.4
111.08145	4.5
117.07004	2.9
119.08566	20.7
119.76315	2.9
121.06512	11.3
121.10151	15.8
123.08053	7.1
123.11736	8.5
131.08545	6.4
133.10106	18.8
135.08025	13.8
135.11697	7.2
137.09631	11.6
137.13307	5.1
143.08566	4.1
145.10063	6.5
147.11699	11.4
149.09610	7.8
149.13281	7.5
151.14833	3.2
157.10106	10.4
159.11732	9.2
161.09613	5.9
161.13234	10.2
163.11249	6.4
163.14841	4.5
171.11644	6.4
173.13322	6.7
175.11252	6.8
175.14815	6.8
177.06746	4.6
185.13272	3.4
187.14832	9.8
189.12778	4.1
189.16428	7.8
191.14391	5.5
199.14893	2.9
201.16280	3.7
203.14360	4.5
205.15913	9.7
206.16682	4.1
213.16368	9.1
217.15900	9.0
217.19560	3.3
227.17793	4.1
229.19507	4.9
231.17451	4.9
243.20967	4.2
259.24124	3.7
262.29080	2.7
265.95450	2.9
269.22604	28.8
287.20444	6.6
287.23706	100.0
288.23862	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	287.237
Annotation	Gibberosin L
Peak:m/z	Relative Intensity
55.05494	20.5
69.03419	9.3
69.07063	29.4
69.07414	8.1
69.41637	38.9
78.48252	8.7
79.05495	10.9
81.07053	39.5
83.08618	12.1
93.07034	9.6
95.08594	28.7
105.07056	12.5
107.08583	30.3
109.10161	13.7
119.08561	23.8
121.10146	20.1
121.83641	8.4
123.08100	10.9
123.11681	16.9
131.08562	12.2
133.10161	16.2
135.08072	13.9
135.11629	7.1
137.09547	10.3
145.10083	17.2
147.11722	15.2
149.09628	9.0
157.10136	13.2
159.11673	33.2
171.11659	9.1
173.13263	14.2
175.14861	8.4
177.06740	17.7
187.14746	11.1
190.36195	8.8
199.14824	9.7
205.15906	14.1
217.15833	17.3
231.17430	8.5
269.22699	37.9
287.23718	100.0
288.29025	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57175	0.3
65.03928	0.3
69.07022	0.3
69.36791	1.5
70.06593	0.4
79.05518	0.6
81.07063	0.5
85.02902	0.4
86.09683	0.3
88.95953	0.3
91.05484	15.7
95.04964	0.7
95.08646	0.5
96.45564	0.3
103.05501	0.3
107.04958	53.9
108.05298	1.1
109.06535	0.9
116.07072	0.3
116.88327	0.3
119.04946	10.3
120.05252	0.3
121.06570	0.5
135.04416	10.9
137.05981	100.0
138.06348	1.8
149.06053	0.6
212.92006	0.3
242.08144	0.6
271.09653	26.5
272.10037	2.0
288.08704	1.0
288.12244	2.7
288.21689	0.7
289.11868	0.7
289.18301	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1594
Annotation	Dihydromorphine
Peak:m/z	Relative Intensity
58.23659	0.6
67.05482	2.8
69.07038	2.2
76.53584	0.7
79.05469	2.0
80.05022	6.1
81.03407	1.2
81.07045	1.2
91.05457	2.3
93.07026	1.1
94.06570	10.5
95.04958	1.1
95.07352	19.4
95.08620	0.7
96.08134	1.7
105.05750	0.8
105.07021	1.9
105.34264	0.7
106.06538	2.6
107.08531	1.1
108.04466	3.0
108.08026	0.7
116.98608	0.8
117.07015	0.9
118.06517	1.7
119.07339	1.0
119.08556	1.9
120.08090	0.9
122.06030	39.1
123.06812	33.4
124.07558	2.3
126.83071	0.7
128.06241	0.9
129.06989	2.3
130.06494	1.6
131.08537	1.3
132.08110	3.4
134.06012	3.5
135.06770	3.1
136.07527	1.3
137.04741	1.6
141.06943	0.8
143.07350	0.8
143.08537	0.9
144.08066	1.3
145.08835	2.7
146.05991	1.9
146.09622	1.4
148.07562	1.3
150.05505	27.9
151.06281	100.0
152.06976	3.2
155.07333	1.0
158.05986	0.8
158.09689	1.5
159.06775	2.4
159.10429	1.1
160.07558	1.2
160.11218	12.8
169.10112	0.8
170.06027	1.3
170.09619	1.0
171.10497	1.2
172.07552	3.4
172.11281	1.1
173.08386	4.3
178.12309	1.2
184.07544	0.9
184.11276	0.8
185.08278	1.2
186.09145	6.5
187.09895	3.4
188.10701	27.6
189.11061	1.3
198.12735	1.3
200.07030	1.3
200.14342	0.8
202.05040	1.6
212.06866	0.7
214.04927	1.2
214.15892	0.8
215.75638	0.9
216.06555	5.5
216.13850	0.8
217.07315	0.9
220.06033	1.0
228.06528	4.7
230.04536	2.3
230.08159	2.1
242.15369	9.4
244.06056	6.5
245.06801	1.7
260.09158	13.9
260.16455	5.3
261.09750	0.8
270.14880	46.3
271.15381	1.8
280.18024	0.7
288.08722	38.3
288.15915	91.7
288.25226	2.0
289.09055	2.8
289.16074	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	288.2532
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.03942	2.1
55.05512	11.3
56.05034	9.1
57.03422	3.0
57.07073	1.5
63.77135	0.9
65.03925	1.3
67.05505	34.9
69.07069	10.1
70.06586	16.3
71.04988	8.0
77.03881	0.9
77.47177	1.0
79.05492	21.7
79.08804	0.9
81.07055	42.4
82.06576	1.6
83.04951	1.2
83.08624	6.3
84.08141	3.2
85.06537	6.2
91.05485	9.8
91.64588	0.9
93.07046	26.5
94.57215	0.8
95.04975	1.9
95.08604	36.2
96.08127	16.6
97.06567	1.8
97.08903	1.1
97.10159	1.1
98.09713	1.5
99.08087	2.5
105.07035	9.8
107.04948	0.8
107.07917	1.6
107.08588	17.2
109.10162	13.6
110.09699	5.5
111.04442	1.3
111.08067	2.1
113.09632	2.1
119.08578	7.0
121.10146	17.4
123.04418	2.8
123.11704	5.8
124.11227	3.1
127.03914	4.6
133.10129	5.3
135.04419	7.1
135.11685	12.9
138.12811	1.2
139.03911	2.4
140.14395	2.0
147.11687	4.1
149.13254	4.0
151.11153	1.7
156.13802	1.3
161.13249	3.3
163.03873	2.8
170.15419	5.6
178.16550	0.9
217.19479	1.3
235.20569	7.2
252.23241	36.8
253.21608	1.7
270.24283	65.7
271.05930	1.3
271.24649	3.8
288.25320	100.0
289.07047	2.0
289.25650	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	288.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74042	0.5
53.03918	0.7
54.17905	0.5
54.85344	0.5
55.01856	0.7
55.05516	7.1
56.04999	1.8
57.03400	1.9
57.07055	0.9
58.06557	1.6
63.39443	0.5
67.05512	17.6
69.07070	6.9
69.40867	1.5
69.41274	1.0
70.06593	8.5
70.07362	0.7
71.04999	2.7
72.04518	3.4
72.08119	1.0
74.06059	1.2
79.05496	6.9
81.07060	18.3
82.06540	1.6
83.04945	1.5
83.08629	3.8
84.08103	2.2
85.06539	1.1
86.06039	2.2
91.05479	3.1
93.07048	9.0
94.06535	0.8
95.04919	0.9
95.08610	15.4
96.08126	2.5
96.08898	0.5
97.06495	1.2
97.10118	1.8
98.09651	1.4
100.07571	0.9
105.07033	3.1
107.08604	4.9
108.08030	0.9
109.10161	6.4
110.09652	2.1
111.04385	0.5
111.08052	1.1
112.11241	0.5
119.08597	2.5
121.10146	4.1
123.04407	0.6
123.11671	1.6
124.11282	0.9
125.03592	0.5
133.10098	1.9
135.04370	1.4
135.11682	2.9
139.03867	1.1
143.04898	1.1
147.11633	0.9
149.13185	1.4
156.13768	0.8
161.13264	1.2
163.14801	0.5
164.79655	0.7
170.15324	0.7
176.49040	0.5
217.19556	0.8
232.49304	0.5
234.22214	2.3
235.20596	1.0
252.23238	27.4
253.23566	1.5
270.24286	100.0
271.24631	4.8
288.08459	1.7
288.20569	1.1
288.25336	25.2
289.25555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.2534
Annotation	Prosopinine
Peak:m/z	Relative Intensity
52.78953	0.4
53.03941	0.8
55.01866	1.7
55.05512	13.6
56.00081	0.4
56.05038	6.5
57.03438	0.4
57.07076	4.1
58.02947	0.7
58.06593	0.8
59.29236	0.4
60.04527	23.6
62.95499	0.3
67.05161	0.8
67.05506	13.9
68.05026	0.7
69.07067	16.1
69.18217	2.4
70.06588	4.2
71.05004	1.8
71.08620	1.6
74.06065	0.5
79.05502	5.4
80.05013	1.1
81.07059	15.0
82.06574	2.5
83.04986	2.2
83.08620	9.1
84.04515	2.4
84.08143	0.6
85.06543	0.6
85.10178	0.7
86.06076	4.9
91.05492	2.7
93.07050	6.5
94.06541	0.7
95.04932	0.9
95.08608	14.2
95.09213	0.8
96.08131	1.9
97.06548	2.0
97.10170	4.5
98.06038	2.0
99.06889	0.4
99.44629	0.4
100.07587	0.7
105.07013	2.2
107.08604	3.0
109.06522	0.5
109.10158	6.9
110.09669	1.0
111.08080	1.2
111.11703	1.0
112.07624	0.5
112.08792	0.4
119.08577	1.6
121.10159	3.7
122.09643	0.5
123.08076	0.5
123.11734	2.2
124.11242	0.5
126.09139	0.6
133.10124	1.5
135.11694	3.1
137.09679	0.5
137.13257	0.4
139.11218	0.4
147.11662	0.5
149.13295	1.0
163.40332	0.4
175.14806	0.7
191.17900	0.6
209.18987	0.8
210.22089	0.6
217.19464	0.9
222.22267	2.5
223.20485	0.7
223.22562	0.4
224.23723	2.2
228.23195	1.1
234.22185	2.6
235.20543	1.2
240.23227	9.2
242.24792	2.1
244.62317	0.4
252.23224	16.9
253.21581	1.2
253.23775	0.8
258.24307	7.8
270.24274	33.8
271.24509	1.9
288.25327	100.0
289.25650	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	288.8915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53569	0.5
69.63427	2.0
72.07951	0.5
82.06624	0.5
84.08147	0.8
94.93015	100.0
98.23432	0.9
109.91738	0.7
112.89616	2.8
114.89333	11.5
116.89134	3.4
141.37715	0.5
147.11905	0.4
148.23227	0.5
161.94765	3.1
184.88075	0.6
205.70465	0.5
212.85202	9.3
214.85023	5.7
218.92236	35.5
226.88986	0.6
244.90161	76.5
245.90552	0.8
250.89667	0.7
270.88052	0.9
273.31046	0.5
288.89209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29821	1.0
56.96566	5.9
59.45635	1.2
62.86322	1.2
66.27630	1.2
69.55720	3.9
70.06602	2.3
78.21838	1.1
78.85413	1.1
84.08155	2.6
86.09697	1.6
91.05511	2.6
93.07059	2.0
95.42468	1.3
98.97588	10.4
99.04452	1.1
101.00881	10.3
103.02481	1.4
103.05486	2.5
105.07084	1.7
110.03545	2.7
110.97558	1.4
113.00874	1.5
115.02419	2.9
116.98630	5.2
119.01930	19.3
121.06512	60.7
127.03887	3.1
127.05016	3.2
128.98599	2.8
129.03929	1.3
131.01912	4.3
133.03499	8.8
134.99673	2.0
135.03000	3.3
137.02989	3.2
138.09143	15.2
143.01930	3.5
144.99869	1.5
145.03539	2.1
147.01425	2.9
149.03020	1.7
151.04599	3.2
152.05684	100.0
153.04047	5.4
161.02936	7.7
168.99678	1.7
169.10933	1.2
171.01413	2.0
172.94304	1.8
174.99208	2.7
175.00798	1.4
187.00893	4.6
189.02480	2.3
191.03941	1.4
193.00275	2.1
196.99316	2.2
199.00864	3.7
205.01968	2.5
215.00391	4.7
217.01903	5.6
219.01689	1.2
219.03577	2.9
224.30751	1.2
229.02061	2.2
239.06941	2.3
240.07854	5.7
245.05190	1.5
246.97920	1.6
247.03058	6.7
248.08083	3.5
255.10143	4.8
272.12848	7.3
288.20309	1.4
289.03918	5.1
289.06641	23.7
289.15424	2.0
307.05106	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	289.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	12.5
70.06580	22.1
70.12985	12.3
81.03425	11.3
81.05459	5.9
84.08141	92.8
85.02899	14.3
94.74597	6.0
97.65099	6.7
98.97575	23.8
99.04442	6.4
100.19763	6.4
101.00860	16.9
103.02432	7.7
109.02899	9.9
114.12809	7.3
115.02406	9.1
116.98594	14.5
119.01942	48.3
121.06494	22.1
127.03893	32.9
127.05011	25.0
127.12310	25.3
129.10222	9.0
131.01881	8.6
133.03453	30.6
137.02950	7.5
138.09100	5.9
143.01859	9.1
146.78452	8.1
151.04462	11.4
152.05678	60.4
159.76109	6.2
161.02956	26.1
174.03906	17.4
187.00902	8.4
199.00978	9.4
216.98734	9.4
217.01981	18.0
217.91476	5.7
234.99689	16.2
245.05148	10.5
247.02832	6.8
266.03098	7.6
288.20108	10.7
289.03592	9.2
289.06546	100.0
289.09396	11.9
289.17383	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
53.33441	0.6
56.57347	0.6
65.03941	5.6
67.05502	1.7
68.99773	3.2
69.19794	4.1
76.70508	0.5
79.42976	0.7
81.03415	1.3
86.09724	0.7
89.03912	2.0
93.03402	10.4
95.04962	2.1
98.22723	1.4
102.19060	0.5
103.05466	1.0
107.04964	5.6
109.02883	2.2
111.00802	1.5
111.04440	20.7
111.05171	1.3
112.04861	0.6
117.03366	2.3
123.03113	0.8
123.03498	1.3
123.04427	44.1
127.03914	82.5
128.04214	0.9
131.04955	2.9
135.04410	100.0
136.04756	2.1
137.02330	2.7
139.03899	46.7
140.04265	1.1
141.06950	0.9
149.02350	5.9
149.06027	2.4
150.03137	0.8
151.03899	18.9
157.06554	0.9
159.04425	4.7
161.05945	1.7
163.03902	43.8
167.03447	0.8
169.06462	1.7
171.95976	0.6
173.06001	2.6
177.05472	2.7
179.03453	2.8
183.04393	1.6
185.05949	1.5
187.03860	6.0
187.07552	0.7
197.06012	3.1
197.48515	0.6
201.05492	2.8
203.07088	1.6
205.04938	2.4
213.05434	1.2
215.07036	2.2
223.22362	0.7
225.05450	2.4
229.04930	1.7
231.06483	3.5
241.04906	0.8
243.06567	5.3
247.06030	1.6
259.05972	6.1
261.07593	7.9
271.05988	16.5
272.06479	1.4
289.07047	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Isookanin
Peak:m/z	Relative Intensity
51.02413	0.4
53.03942	0.3
55.01879	0.8
55.05539	0.5
63.71500	0.3
65.03939	8.4
67.05502	2.0
67.78372	0.3
68.99787	2.4
77.03928	0.5
77.23975	0.4
79.05495	1.4
81.03400	0.8
81.07022	0.4
83.04982	1.1
84.04495	1.0
85.06567	0.5
87.05579	0.5
89.03905	3.3
89.65600	0.4
93.03403	11.0
95.04984	3.3
97.02859	0.4
100.11215	0.8
103.05468	0.8
105.03420	0.8
105.04539	0.7
107.04971	5.0
109.02936	0.7
109.28014	0.3
111.04444	27.5
111.08015	0.4
112.04746	0.4
117.03378	3.0
121.02845	1.2
123.04429	51.5
124.04800	1.3
127.03910	6.0
127.07603	0.9
129.07002	0.5
130.05016	0.4
131.04929	2.5
135.04413	100.0
136.04768	1.5
137.02332	3.9
137.03372	0.8
139.03899	49.3
140.04245	0.6
140.10693	1.1
141.07007	0.4
145.03951	0.3
147.04404	0.6
149.02322	6.0
149.05991	1.2
150.03081	1.0
151.03902	22.6
152.04547	0.6
157.06433	0.5
159.04443	1.8
162.28401	0.4
163.03906	15.6
167.03418	0.5
169.06433	0.8
173.05963	1.2
175.07503	0.4
177.05467	1.8
179.03392	2.8
182.53766	0.4
183.04382	0.5
185.05956	1.0
187.03891	0.5
187.07503	0.5
197.05963	1.8
201.05563	0.6
203.07019	0.8
205.05048	0.6
213.05481	1.7
215.06996	1.3
225.05368	0.6
229.04947	0.9
231.06517	4.3
241.05008	1.7
243.06548	2.0
253.04988	0.4
259.06015	7.2
261.07578	8.7
262.07861	0.6
271.05984	6.2
289.07062	8.9
289.21234	0.5
290.19550	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
51.02375	0.5
53.80669	0.4
55.01861	2.0
65.03943	2.7
67.05502	2.7
68.99790	2.9
70.23142	1.1
71.04997	0.5
72.60644	0.4
77.03937	2.1
79.05493	1.4
81.03413	0.7
83.01341	1.1
83.04979	0.7
89.03901	2.3
91.05499	1.0
93.03411	5.3
95.04973	5.5
103.05455	1.4
105.03387	2.0
105.04505	0.7
107.04954	3.0
109.02836	0.5
111.00813	1.9
111.04449	9.2
115.05479	0.8
117.03384	2.8
119.04963	0.8
121.02848	0.8
123.04431	100.0
124.04768	1.8
127.03912	17.3
129.01787	0.6
129.07008	0.5
131.04912	3.1
133.06502	0.8
135.04417	36.5
137.02318	0.8
137.06035	0.5
138.06248	0.5
139.03902	40.8
140.04314	0.7
141.06964	1.0
143.04909	0.5
145.02841	3.1
145.06462	0.5
147.04428	0.9
149.02364	3.0
149.05983	1.1
151.03905	11.3
153.01816	0.5
153.06853	0.4
155.04822	0.5
159.04419	4.1
161.05969	1.0
163.03908	28.4
164.04190	1.1
167.03458	0.7
169.06468	1.7
173.06004	1.5
177.05466	1.9
179.03406	0.9
183.04379	0.7
185.05930	1.0
187.03856	5.2
187.07600	0.5
197.05995	3.6
198.97025	0.4
201.05498	0.5
203.07042	0.9
205.04973	3.9
205.68147	0.5
211.07681	0.4
213.25804	0.5
215.07051	2.4
217.04968	0.7
222.29301	0.4
225.05504	1.9
229.04944	1.0
231.06535	1.5
241.05142	0.6
242.50201	0.5
243.06520	3.5
245.04492	0.9
247.06184	0.5
253.05081	1.3
259.06085	1.4
261.07593	1.9
271.06012	5.8
289.07083	14.7
289.10312	0.8
289.15976	0.5
290.19540	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.126
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.6
57.07133	1.0
60.05647	1.1
65.71890	1.1
70.06598	3.8
71.43665	1.8
71.44036	1.2
81.03416	2.7
84.08141	1.7
85.02911	1.7
86.09745	2.2
91.05500	1.8
98.97600	3.1
99.04462	1.1
101.00886	5.7
101.48648	1.2
103.05478	3.2
109.02842	1.6
114.13512	1.2
116.98631	1.6
118.03507	5.5
119.01923	19.7
119.74397	1.1
120.08102	20.3
121.08446	2.1
127.03921	9.5
131.04884	1.6
134.99773	1.2
136.04555	2.0
136.06200	1.3
137.02966	6.3
155.95413	4.0
172.18896	1.0
197.96356	1.7
202.07095	3.6
220.08162	2.1
221.06598	3.6
248.07712	15.3
266.08740	16.9
273.62305	1.3
289.09207	4.9
289.12579	100.0
289.20575	2.8
290.08368	1.8
290.12976	4.5
302.45706	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41547	1.2
56.05035	3.2
57.07081	10.0
71.45265	1.2
74.09722	31.3
84.04506	77.9
85.06560	1.6
87.00817	1.5
98.56657	1.1
98.97591	1.4
109.06573	1.2
116.98621	2.3
121.06503	2.4
123.10018	1.1
127.03933	1.3
127.07545	3.1
130.05005	27.0
137.05937	1.5
139.12276	2.0
140.10701	100.0
141.11095	1.4
152.03416	7.1
157.07599	1.4
157.13362	11.6
158.11823	1.2
158.79086	1.2
173.23532	1.1
175.08659	1.2
183.11362	2.4
185.12912	3.5
186.11272	5.9
190.19157	1.2
198.03995	6.4
199.14378	1.8
203.13867	2.3
225.12341	1.8
229.11786	1.7
243.13412	19.3
253.11856	1.9
262.03384	1.0
265.94000	1.7
271.12918	7.1
289.11542	1.3
289.14359	9.7
290.10303	1.4
290.17618	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	289.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59998	0.8
53.03932	1.4
55.01856	2.4
55.05514	8.4
56.41037	0.8
57.07073	9.4
58.06605	1.4
59.96165	0.8
64.35382	0.8
65.03934	1.5
67.05502	17.1
69.07058	3.4
69.66627	2.7
70.06590	16.5
71.08633	1.5
77.03902	0.9
79.05097	1.1
79.05499	10.4
81.07061	7.6
83.04999	1.8
83.08612	6.8
85.02857	1.0
85.10173	1.2
87.04478	1.2
88.07626	20.9
91.05481	11.3
93.07038	8.4
95.04955	4.6
95.08610	17.1
98.97562	0.9
100.04942	1.0
100.74102	0.9
102.09174	11.2
103.05463	1.5
105.04504	1.7
105.07020	9.6
107.04957	14.6
107.08587	6.2
109.06489	2.1
109.10164	1.6
111.04405	0.9
115.05453	5.4
117.07023	5.8
119.04956	1.6
119.08569	10.1
120.05717	1.0
121.06518	5.8
121.10113	2.1
123.04398	10.9
124.05267	1.0
125.09618	2.5
128.06216	2.0
129.06984	2.9
131.04947	4.4
131.08566	6.1
133.06485	6.7
133.10120	0.9
135.04404	2.6
135.08080	4.7
137.05977	1.5
137.09615	1.6
140.04655	1.3
141.06984	6.8
143.04947	1.1
143.08560	1.9
144.05693	5.5
145.06487	6.4
145.10121	2.8
146.03662	2.1
147.04413	3.8
147.08070	2.4
149.05928	1.2
149.09537	1.2
153.05383	1.0
153.07008	1.4
155.04887	1.2
155.06052	1.5
157.06532	1.7
159.04427	1.1
159.08032	6.1
159.11630	1.5
161.05995	4.2
161.13252	1.2
162.03050	1.0
163.03885	2.4
167.07008	2.7
167.08344	1.1
168.04279	1.5
168.05663	1.2
169.05011	1.3
169.06374	1.3
169.07690	1.4
169.10161	2.2
171.05618	1.1
171.08003	1.2
172.05153	1.5
172.70016	0.9
173.05991	3.7
173.09685	1.4
174.03091	0.9
177.05479	2.2
179.08553	1.1
181.06444	2.5
182.07224	1.5
183.04704	1.3
183.06511	20.7
183.08018	1.1
185.06000	2.2
186.02141	1.3
187.07573	3.8
187.11230	1.8
188.11908	1.9
189.05550	4.1
190.06177	1.4
191.07014	1.8
192.04199	2.0
197.05923	1.0
197.09644	2.1
199.03931	1.0
199.07571	2.0
200.04657	1.0
200.08318	1.1
201.09056	1.7
201.12730	2.5
205.04955	2.6
205.15866	1.7
207.06506	9.6
211.09665	6.1
213.05389	1.1
215.07042	2.3
220.07321	2.7
221.08075	2.2
225.09116	2.2
225.11212	1.0
227.07065	1.0
228.23219	45.8
229.12236	5.4
229.15865	1.5
231.13763	5.4
233.08115	4.8
245.08087	1.1
246.16153	1.1
247.09676	1.5
247.16972	4.2
257.11710	28.9
258.12286	1.3
261.14880	2.3
271.16931	1.5
272.26080	1.7
274.12033	3.0
289.14322	26.4
289.17960	19.9
289.25430	1.1
290.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59998	0.8
53.03932	1.4
55.01856	2.4
55.05514	8.4
56.41037	0.8
57.07073	9.4
58.06605	1.4
59.96165	0.8
64.35382	0.8
65.03934	1.5
67.05502	17.1
69.07058	3.4
69.66627	2.7
70.06590	16.5
71.08633	1.5
77.03902	0.9
79.05097	1.1
79.05499	10.4
81.07061	7.6
83.04999	1.8
83.08612	6.8
85.02857	1.0
85.10173	1.2
87.04478	1.2
88.07626	20.9
91.05481	11.3
93.07038	8.4
95.04955	4.6
95.08610	17.1
98.97562	0.9
100.04942	1.0
100.74102	0.9
102.09174	11.2
103.05463	1.5
105.04504	1.7
105.07020	9.6
107.04957	14.6
107.08587	6.2
109.06489	2.1
109.10164	1.6
111.04405	0.9
115.05453	5.4
117.07023	5.8
119.04956	1.6
119.08569	10.1
120.05717	1.0
121.06518	5.8
121.10113	2.1
123.04398	10.9
124.05267	1.0
125.09618	2.5
128.06216	2.0
129.06984	2.9
131.04947	4.4
131.08566	6.1
133.06485	6.7
133.10120	0.9
135.04404	2.6
135.08080	4.7
137.05977	1.5
137.09615	1.6
140.04655	1.3
141.06984	6.8
143.04947	1.1
143.08560	1.9
144.05693	5.5
145.06487	6.4
145.10121	2.8
146.03662	2.1
147.04413	3.8
147.08070	2.4
149.05928	1.2
149.09537	1.2
153.05383	1.0
153.07008	1.4
155.04887	1.2
155.06052	1.5
157.06532	1.7
159.04427	1.1
159.08032	6.1
159.11630	1.5
161.05995	4.2
161.13252	1.2
162.03050	1.0
163.03885	2.4
167.07008	2.7
167.08344	1.1
168.04279	1.5
168.05663	1.2
169.05011	1.3
169.06374	1.3
169.07690	1.4
169.10161	2.2
171.05618	1.1
171.08003	1.2
172.05153	1.5
172.70016	0.9
173.05991	3.7
173.09685	1.4
174.03091	0.9
177.05479	2.2
179.08553	1.1
181.06444	2.5
182.07224	1.5
183.04704	1.3
183.06511	20.7
183.08018	1.1
185.06000	2.2
186.02141	1.3
187.07573	3.8
187.11230	1.8
188.11908	1.9
189.05550	4.1
190.06177	1.4
191.07014	1.8
192.04199	2.0
197.05923	1.0
197.09644	2.1
199.03931	1.0
199.07571	2.0
200.04657	1.0
200.08318	1.1
201.09056	1.7
201.12730	2.5
205.04955	2.6
205.15866	1.7
207.06506	9.6
211.09665	6.1
213.05389	1.1
215.07042	2.3
220.07321	2.7
221.08075	2.2
225.09116	2.2
225.11212	1.0
227.07065	1.0
228.23219	45.8
229.12236	5.4
229.15865	1.5
231.13763	5.4
233.08115	4.8
245.08087	1.1
246.16153	1.1
247.09676	1.5
247.16972	4.2
257.11710	28.9
258.12286	1.3
261.14880	2.3
271.16931	1.5
272.26080	1.7
274.12033	3.0
289.14322	26.4
289.17960	19.9
289.25430	1.1
290.26886	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96601	0.7
53.60179	0.6
56.96561	1.6
69.54943	1.9
78.47893	0.7
82.99840	1.7
84.08165	0.8
91.05473	1.4
93.07061	4.0
94.93021	4.2
97.01388	1.8
98.97586	9.6
101.00883	22.3
102.00957	1.4
103.05482	2.7
110.03542	2.4
113.00890	2.4
115.02437	7.9
116.98640	3.7
119.01930	35.5
120.02010	1.0
121.06513	85.4
122.06865	2.5
126.98756	0.8
129.03998	2.8
131.01897	4.8
133.03465	9.6
134.03593	1.1
134.04726	0.8
134.05975	1.1
134.99599	0.8
135.03008	3.4
137.02963	4.0
138.09146	27.1
139.09511	1.3
143.01884	8.0
145.03520	1.3
147.01466	1.4
147.05042	2.3
151.04532	1.2
152.05684	100.0
153.04092	4.3
153.06078	1.7
157.03505	1.3
161.02972	17.9
165.01567	0.8
168.99803	4.3
171.01398	2.9
173.02937	3.6
175.00897	0.8
177.02507	1.0
185.02908	0.9
187.00891	9.6
189.02582	3.8
191.04018	2.7
196.99310	2.5
199.00934	5.2
201.02385	1.5
205.01939	4.3
207.03542	0.9
215.00394	11.6
216.98787	0.8
217.01923	8.7
218.92325	0.9
219.03670	3.6
226.05356	3.3
229.01930	3.7
230.07040	1.3
233.01511	1.3
244.90172	2.9
247.03030	12.3
248.08109	3.0
259.02939	1.0
265.04132	2.3
272.05920	1.4
274.97510	1.4
277.04117	2.4
289.03955	2.3
289.06827	4.1
289.08942	3.8
307.05069	3.2
307.08643	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81508	0.7
56.96563	1.7
65.03957	2.0
69.18394	5.2
70.06596	3.2
71.06900	0.8
72.08156	1.7
73.10690	0.8
77.03973	0.9
79.05464	0.9
84.08131	2.5
85.02915	1.9
86.09248	0.8
86.09722	2.4
91.05491	3.0
93.03403	1.1
93.07042	4.0
95.04980	2.0
98.97605	2.8
99.04490	1.3
101.00894	2.3
103.05473	3.8
106.06555	0.9
107.04993	1.2
107.09461	0.8
109.02849	1.1
110.63335	0.8
111.04442	4.2
116.98611	2.6
119.01942	7.0
121.06509	100.0
122.06838	2.6
123.04429	8.3
127.03926	17.7
127.05041	6.8
129.10222	0.8
131.01912	1.1
131.98613	1.2
133.03496	2.8
134.06010	2.6
135.03484	0.7
135.04411	18.1
136.04750	0.8
138.09143	26.5
139.03915	7.4
139.09451	1.0
151.03860	2.0
152.05693	2.3
152.07077	3.4
161.02988	2.2
163.03882	7.9
165.40306	0.9
215.00377	1.6
216.98802	1.0
219.01917	1.1
221.01871	1.9
227.23164	0.9
231.06468	1.0
234.99828	1.7
241.04996	0.8
259.05942	0.9
261.02979	1.1
264.07071	0.9
265.02795	2.7
266.03046	4.3
271.05984	3.3
289.00183	0.8
289.06854	5.3
289.20642	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	289.18
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
54.34741	2.1
55.01866	7.2
55.05513	11.7
57.03440	30.5
57.07087	3.7
57.16183	2.1
67.05503	18.2
69.03434	5.0
69.07071	14.6
71.05003	3.1
77.18381	2.4
79.05492	21.8
81.03414	7.4
81.07059	12.1
83.05000	2.8
83.08631	4.8
85.06544	3.2
87.30798	2.7
91.05476	29.6
93.07043	13.3
95.04969	19.8
95.08614	11.8
97.06487	3.0
105.03366	2.6
105.07051	20.5
107.04956	91.2
107.08599	11.4
109.06532	21.7
109.10143	6.3
113.06049	13.3
115.05474	3.2
117.07001	11.2
119.04947	3.7
119.08598	22.5
121.06517	13.2
121.10155	6.0
123.08063	5.5
128.06216	3.0
129.06995	9.0
131.08566	13.5
133.06500	13.8
133.10109	5.6
135.08057	20.2
137.05962	5.8
137.09615	7.4
139.11208	2.4
141.06941	3.1
142.07777	3.0
143.08565	8.5
145.06487	7.0
145.10126	8.0
147.08031	18.4
147.11656	4.2
149.06004	6.2
149.09621	6.6
151.07594	3.5
155.08553	5.4
157.10063	3.9
159.08061	31.8
159.11703	3.8
159.71945	2.4
161.09618	13.9
163.07555	11.7
165.09143	4.8
169.10133	4.4
171.11650	4.5
173.09605	7.4
173.11734	2.5
175.11156	3.9
177.09193	5.0
187.11197	3.6
189.09109	2.7
189.12758	6.8
191.10675	16.4
197.13330	2.2
199.11238	5.6
213.30902	2.1
215.14296	6.1
217.12265	17.8
218.61201	2.0
219.13956	2.2
233.11723	4.3
233.15317	11.7
243.17506	4.3
253.15852	4.9
261.18436	11.2
271.16888	25.7
273.14908	5.1
276.89191	2.1
289.17999	100.0
290.18024	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	289.18
Annotation	Micrandrol D
Peak:m/z	Relative Intensity
51.22768	0.5
53.03940	2.3
55.01875	4.6
55.05256	1.0
55.05510	13.3
57.03440	6.7
57.07077	2.6
59.04996	1.0
64.67957	0.6
65.03930	0.9
67.05164	1.0
67.05508	18.0
69.03431	4.4
69.07072	5.8
69.19846	3.6
70.06593	4.1
70.13457	0.5
71.04988	2.3
71.08636	0.7
73.06566	0.7
77.03908	1.2
79.05493	15.6
81.03419	3.9
81.07053	14.3
83.04983	11.5
83.08613	5.9
83.97346	0.5
85.06557	1.1
87.04457	0.7
87.21365	0.6
88.07639	4.4
91.05481	24.8
91.06058	1.2
93.06446	1.1
93.07040	21.5
95.04963	8.8
95.08611	7.9
97.06527	2.0
97.10177	1.8
100.43050	0.6
101.06026	1.0
102.09173	2.8
103.05480	3.8
103.53264	0.7
105.03407	0.9
105.04509	1.8
105.07039	15.1
107.04958	5.8
107.08593	7.4
109.06512	4.8
109.10164	8.3
111.04448	1.2
111.08070	2.9
115.05473	1.4
117.07027	7.2
119.04954	2.5
119.06016	0.5
119.08575	17.2
120.08932	0.6
121.02867	1.2
121.06506	17.3
121.10121	3.3
123.04441	1.4
123.08073	2.9
125.09619	0.8
128.06212	2.1
129.07007	5.2
131.04941	1.8
131.08554	10.9
132.09009	0.8
133.06496	6.4
133.10129	4.9
135.04414	1.0
135.08060	16.2
137.09607	3.6
141.07010	1.8
143.08559	3.6
144.05684	1.0
145.06483	5.3
145.10118	6.0
146.07251	1.2
147.08040	6.4
147.11697	1.6
148.08626	0.7
149.05972	2.6
149.09610	3.8
151.07562	1.7
153.09132	1.6
154.07756	0.6
155.08563	2.0
157.10139	2.4
159.08058	13.6
159.11702	1.6
160.08798	2.0
161.09610	7.5
161.13271	0.7
163.07544	13.3
163.11168	1.4
165.09142	1.2
167.10663	0.9
168.09375	0.7
169.10156	2.4
171.11725	2.3
173.09610	6.1
173.11751	2.4
173.13152	0.9
175.07542	0.7
175.09636	0.7
175.11194	2.3
177.09125	3.8
179.10674	0.9
181.10159	0.6
183.11688	1.9
185.09563	0.8
187.11185	3.3
189.12785	1.5
191.10704	2.1
193.12289	0.7
195.10130	1.0
197.09607	0.9
197.13277	1.4
199.11351	1.2
201.16516	0.6
203.10771	0.7
215.14354	2.4
217.12209	2.0
225.16374	2.0
228.23222	7.7
229.15842	0.8
233.15375	2.5
235.14705	0.9
243.17430	6.5
247.17073	0.8
253.15904	4.0
261.18619	2.9
271.16922	13.2
272.17291	0.9
274.15414	0.6
289.17981	100.0
290.18204	5.3
290.26907	20.7
291.49677	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
57.07076	100.0
58.07412	1.0
67.05510	3.2
69.07069	2.6
69.11423	5.0
72.04515	21.0
79.05500	3.3
81.07053	4.2
83.08627	1.7
91.05479	6.0
93.07050	3.6
94.06565	0.8
95.04951	0.8
95.08625	3.0
99.08076	1.0
100.07618	54.6
105.07026	8.1
107.08627	2.3
108.91586	0.8
109.10163	1.8
116.05331	1.7
117.07026	1.5
119.08589	7.1
121.10194	1.4
131.08611	2.5
133.10129	6.8
135.11732	0.9
145.10159	3.0
147.11731	4.0
154.13358	0.8
156.13838	83.2
157.10220	1.1
157.14247	1.6
159.11720	2.9
161.13321	2.2
172.11575	2.1
173.13249	1.5
180.34486	0.8
191.14531	0.7
197.13139	0.8
215.17992	0.7
248.48558	0.8
254.15121	0.8
257.18967	1.9
285.17148	0.8
289.21716	14.7
289.24976	1.4
289.29126	0.8
289.66116	0.8
290.28564	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
55.01869	1.0
55.05509	24.9
57.07086	1.8
58.78548	0.9
59.04998	1.7
65.03944	1.2
67.05505	19.0
69.07065	13.7
69.75779	1.8
71.04998	1.3
72.98866	0.9
73.06546	1.5
79.05045	1.0
79.05489	13.8
81.07056	21.7
83.04977	14.6
83.08624	9.9
85.06532	2.9
91.05479	39.7
93.07038	17.6
95.04937	2.4
95.08601	18.2
97.06525	2.1
97.10149	0.8
103.05508	1.3
103.72121	0.8
105.07026	59.0
106.07368	1.5
107.08600	11.3
109.06511	1.9
109.10155	8.4
111.08044	1.1
115.05447	1.0
117.07011	13.6
119.08577	58.7
121.06499	2.7
121.10120	7.9
129.07004	2.8
131.08565	15.1
132.09279	1.1
133.10123	32.0
135.08067	2.0
135.11725	4.1
141.07002	0.9
143.08565	3.5
145.10123	19.6
147.08072	2.0
147.11676	26.4
149.09595	1.4
149.13237	2.2
155.08568	2.5
157.10115	6.6
159.11691	21.0
161.09586	1.2
161.13268	12.5
163.11189	2.3
163.14731	1.2
165.12735	1.4
169.10149	2.4
171.11691	4.7
171.13751	1.0
173.13232	11.7
175.11150	1.8
175.14835	2.2
177.12769	1.5
183.11739	4.3
185.13255	2.0
187.11266	1.3
187.14818	2.1
189.12727	2.1
191.14331	1.2
197.13260	2.8
201.12714	1.0
201.16351	1.5
207.13962	0.8
207.17334	1.2
211.14780	1.9
213.16577	1.3
215.14453	1.2
215.17995	4.0
229.12146	0.8
229.15862	1.4
229.19536	1.3
232.74228	0.8
239.17889	9.7
257.19009	14.3
271.24170	2.2
289.21622	100.0
289.25143	8.0
290.08105	9.2
290.21976	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	289.2164
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
53.03930	1.4
54.42920	1.1
55.05267	1.6
55.05513	19.1
57.07070	2.8
59.04992	2.2
60.03009	1.1
67.05167	1.8
67.05505	29.0
69.06718	1.3
69.07072	18.8
69.13386	5.7
69.13791	2.0
73.05279	2.2
73.06549	3.2
79.05499	20.1
80.59472	1.1
81.07062	26.4
83.04980	2.2
83.08625	11.1
85.06515	3.9
85.62552	1.0
87.03556	1.1
87.08049	1.1
91.05482	49.8
92.05828	1.4
93.07040	19.0
95.04958	1.6
95.08614	24.9
97.06517	3.3
97.10144	3.3
97.18578	1.1
97.78425	1.2
98.22689	2.5
101.06004	2.1
103.05460	2.2
105.07036	61.1
106.07335	1.5
107.08589	11.4
109.06495	4.8
109.10162	8.7
109.24554	1.0
111.08047	1.4
115.05495	1.4
117.07019	12.6
119.08585	60.2
121.06451	2.1
121.10150	9.9
123.08038	1.9
125.09642	1.4
125.56816	1.2
129.06990	3.1
129.11458	1.9
131.08575	20.5
133.09178	1.8
133.10130	29.8
135.08035	4.8
135.11661	4.6
137.09581	2.2
141.07021	2.7
142.07767	1.3
142.12239	3.3
143.08623	5.5
143.09607	1.1
145.09094	2.0
145.10138	20.1
147.10582	2.1
147.11693	32.2
149.09639	3.4
149.13223	1.8
155.08591	1.8
157.10121	8.8
159.11694	26.4
161.09583	1.8
161.13266	13.9
163.11214	1.5
169.10100	5.0
171.11681	5.8
173.13281	18.3
175.11076	2.4
175.14789	2.1
177.12807	1.2
179.97174	1.3
183.11684	3.8
185.13231	2.6
187.14815	2.5
193.12283	1.7
193.99159	1.4
197.13286	3.8
201.12682	2.7
205.15855	4.2
211.14870	1.9
215.14270	1.8
215.17934	4.1
229.15785	2.6
229.19507	1.9
239.17967	12.0
247.16951	1.3
257.19012	18.9
258.19449	2.0
262.23529	1.1
263.25229	1.1
271.16739	1.3
289.14246	5.2
289.17960	16.7
289.21567	100.0
289.28931	3.2
290.21375	10.2
290.26804	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	289.2163
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
51.10537	0.6
53.03952	1.2
55.01876	1.5
55.05513	22.0
57.03432	1.4
57.07060	3.7
59.05003	1.0
64.97826	1.2
65.03934	0.8
67.05508	12.2
69.03426	3.0
69.06711	0.8
69.07073	12.2
71.04982	1.2
71.08631	1.2
73.06544	1.7
77.03908	0.8
79.05494	16.9
81.07059	17.0
83.04971	2.3
83.08627	3.9
85.06538	2.7
88.42679	0.7
91.05479	15.5
93.07050	23.2
94.06567	1.1
95.04990	3.4
95.08610	12.9
97.06520	2.5
97.10165	4.1
103.05423	0.9
105.04509	1.0
105.07032	29.4
107.04958	1.8
107.08593	20.8
108.08880	0.9
109.06512	7.1
109.10152	4.0
111.08068	1.5
115.05459	0.8
117.07022	5.9
119.06071	0.7
119.08585	25.2
121.06512	22.8
121.10146	7.3
123.04953	0.7
123.08087	3.7
123.11713	1.8
125.09634	1.8
126.37688	0.6
129.07008	1.6
131.08569	12.2
133.06508	0.9
133.10129	12.0
135.08066	13.5
135.11682	4.2
137.09596	0.9
137.13260	0.8
141.07022	1.0
143.08557	1.7
144.09335	0.9
145.10109	9.8
147.08040	2.4
147.11696	8.0
149.09604	2.3
149.12245	0.6
149.13272	3.9
151.07581	0.7
151.11128	1.1
155.08589	1.5
157.10133	2.2
159.08086	1.0
159.11699	5.5
161.09595	2.4
161.13252	8.8
163.07542	0.9
163.11195	11.8
163.14832	1.6
165.12759	3.2
169.10095	1.3
171.11707	1.7
173.09691	0.8
173.13246	5.1
175.11179	1.5
175.14832	5.6
177.12749	18.3
177.16357	0.9
179.14314	0.9
183.11719	2.5
185.13252	0.7
187.11156	1.4
187.14796	4.5
189.12796	1.9
189.16354	2.3
191.14299	2.8
197.13254	2.1
199.11093	0.7
199.14925	0.8
201.12694	1.9
203.14168	0.8
203.17949	0.7
205.15955	2.2
206.98926	0.6
211.14795	0.9
215.14384	1.7
215.79460	0.6
219.13855	1.6
229.15871	0.9
233.15321	2.3
233.22635	0.9
243.21089	3.6
247.16898	2.5
253.19551	2.5
257.19119	1.0
257.92032	0.7
261.22141	25.5
262.22421	1.5
271.20569	7.4
289.21622	100.0
290.21948	3.9
290.28403	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.02396	1.8
55.05506	16.4
57.03435	5.3
57.07079	15.2
59.04998	2.0
67.05504	24.3
69.03424	2.2
69.06712	2.6
69.07069	36.2
69.53896	7.9
71.04979	2.8
79.05486	12.7
81.07062	46.7
83.08612	14.1
85.06535	4.4
91.05472	16.7
93.07046	43.0
95.04936	3.2
95.08608	62.2
97.06507	5.2
97.10164	6.3
98.22752	3.7
99.08083	2.7
103.03939	2.9
105.07031	26.8
107.08595	64.5
109.06498	6.0
109.10163	48.6
111.08063	4.0
111.11703	3.9
113.09629	5.5
117.07010	5.4
119.04913	3.3
119.08582	39.3
121.06519	3.8
121.10149	49.8
123.08041	5.4
123.11707	52.6
131.08551	8.9
133.10127	36.9
135.11694	57.3
137.05978	8.2
137.09586	3.7
137.13255	20.1
139.11115	3.1
143.08583	2.4
143.47212	1.7
145.10118	20.4
147.08098	2.2
147.11693	25.1
149.13260	37.6
151.11172	3.0
151.14815	5.0
155.71942	1.7
159.08054	2.9
159.11699	22.0
161.13246	26.9
163.07507	2.0
163.14819	22.9
165.12759	5.8
171.13823	2.2
173.09877	1.5
173.13272	17.1
174.70543	1.9
175.14825	22.0
177.12672	1.9
177.16379	8.0
179.14328	12.3
186.02202	1.8
186.14041	1.9
187.14795	17.8
189.16438	9.4
191.14322	5.0
191.17941	2.5
193.15909	2.3
201.16370	20.4
203.17964	4.5
205.15866	1.9
213.16403	4.1
215.17943	26.2
217.19543	5.5
219.17528	2.3
227.17989	2.5
228.18735	5.5
229.19507	8.9
231.21277	2.0
233.18956	4.6
271.17001	3.5
271.24200	87.8
272.24466	3.6
273.14832	14.0
289.10376	8.9
289.14554	2.4
289.18234	15.4
289.25250	100.0
290.17657	2.3
290.25476	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03657	1.1
53.03930	2.0
55.05291	1.2
55.05515	13.4
57.03418	2.6
57.07072	6.2
59.04990	1.9
60.91262	1.1
67.05165	1.4
67.05507	26.3
69.03413	3.0
69.07069	39.9
71.04968	1.7
75.43494	1.0
79.05485	7.6
79.90082	1.2
81.07061	29.0
83.04971	3.7
83.08627	11.7
84.04519	1.9
91.05494	10.1
93.07053	11.5
95.04960	5.0
95.08605	27.6
97.06521	2.3
97.10130	2.0
98.23550	1.8
105.07026	8.2
107.04956	3.4
107.08600	18.9
109.06506	8.6
109.10154	34.5
111.08086	2.2
111.11722	4.1
117.07039	2.2
119.04941	2.7
119.08580	10.9
121.06509	7.6
121.10155	11.6
122.10474	1.7
123.08092	6.1
123.11702	15.1
125.09668	2.0
125.13262	1.5
129.06955	2.0
131.08585	3.7
133.06450	1.8
133.10097	9.0
135.08078	7.1
135.11694	14.2
137.05986	14.6
137.09610	20.3
137.13266	14.9
141.34343	1.1
145.10115	5.5
147.08034	3.7
147.11691	8.3
149.09610	4.0
149.13252	12.1
151.11185	6.4
151.14807	3.3
159.08083	4.2
159.11673	5.4
161.09595	2.0
161.13275	9.1
163.11166	3.9
163.14827	5.4
165.12746	6.5
173.13258	4.3
175.14786	2.2
177.12743	7.8
177.16397	4.7
178.13339	1.6
178.64072	1.1
179.14336	5.0
187.14842	2.0
189.16364	3.6
191.14320	5.1
191.17975	1.9
201.16328	2.5
203.18013	1.2
205.15857	2.5
206.16612	2.2
207.05728	1.1
207.17422	2.3
215.17921	4.8
217.19492	2.2
219.17479	1.6
223.13168	1.7
231.21065	1.5
233.18987	4.7
243.17384	1.3
271.17020	3.8
271.24243	9.0
273.14832	10.9
289.18246	16.9
289.25247	100.0
290.17575	2.0
290.25351	6.2
291.16428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
52.56799	1.7
53.03934	2.5
55.05512	13.7
57.07072	17.0
59.19132	1.8
62.01143	1.8
67.05508	23.6
69.07066	36.9
70.71091	3.1
71.04988	3.2
71.08622	3.0
79.05495	14.8
81.07059	45.9
83.04982	2.9
83.08626	13.5
91.05472	22.1
93.07038	44.3
95.08607	49.4
97.06525	3.1
97.10172	8.5
100.07627	5.1
105.07031	45.1
107.07925	3.4
107.08595	44.8
109.06531	2.6
109.10155	42.8
111.08061	1.8
111.11715	1.8
117.07017	6.5
119.08585	35.4
121.06554	2.4
121.10144	28.4
123.11699	17.0
125.09621	3.0
127.11216	2.2
131.08571	13.4
133.10121	28.9
135.11700	29.2
137.13235	4.7
139.11156	2.3
145.10114	17.9
147.11700	26.3
149.09644	2.0
149.13237	23.0
156.13814	4.9
159.11661	15.6
161.13242	22.5
163.14798	13.0
165.12750	3.1
171.11699	2.2
173.13271	8.1
175.14809	9.0
177.12805	2.1
177.16403	7.0
179.14323	14.4
183.11678	2.2
187.14804	8.0
188.17621	2.0
189.16402	11.8
191.17932	4.1
193.15916	3.4
201.16376	8.7
203.17995	6.6
207.17453	18.3
215.17961	10.3
217.19415	2.0
219.17487	3.1
229.19540	4.7
233.18994	3.5
239.17966	3.6
252.60593	1.9
253.85948	1.8
257.19058	4.2
271.24182	23.4
289.15302	3.0
289.21652	32.4
289.25247	100.0
290.25098	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	289.2526
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05514	10.6
57.07054	6.0
59.04970	2.3
64.35049	1.6
64.97803	2.6
67.05508	19.9
69.07064	28.6
70.06609	1.8
70.97874	1.5
79.05468	8.2
81.07053	40.5
83.04959	2.6
83.08612	12.2
85.06525	4.3
91.05489	9.5
93.07044	39.5
95.08129	1.9
95.08601	48.4
97.10159	6.8
98.71464	2.3
99.08089	3.2
105.07021	15.8
107.08588	40.2
109.06518	4.4
109.10162	41.7
116.98595	2.3
117.07017	3.9
119.08578	20.5
121.10146	18.8
123.11710	16.1
125.09613	3.8
131.08549	7.4
133.10129	16.2
135.11690	37.6
137.13234	7.2
145.10167	9.2
147.11671	13.5
149.13249	20.9
151.14835	4.2
157.09988	2.6
159.11713	10.4
161.13297	11.8
163.14816	12.3
173.13240	6.3
175.14806	5.4
177.16307	4.3
179.14359	4.2
187.14790	5.9
189.16443	11.8
191.17892	5.4
193.15947	2.1
201.16348	6.1
203.17932	2.8
207.17416	20.3
215.18002	9.7
219.17439	3.9
229.19397	2.4
233.18959	3.5
243.21008	3.4
245.22563	2.0
256.18076	1.7
271.24161	18.5
276.11899	2.1
289.18295	3.7
289.21732	9.2
289.25208	100.0
290.25665	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	289.2526
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05516	18.1
56.62345	2.3
57.07071	5.7
63.22286	2.1
64.04623	2.2
64.10793	1.9
67.05505	27.1
69.03425	6.4
69.07069	52.0
69.31158	3.6
69.31565	10.3
71.04985	3.8
71.08632	2.5
79.05490	18.2
81.06569	5.0
81.07056	100.0
83.08626	11.6
85.06580	3.2
91.05474	10.8
93.07050	35.2
94.09938	2.0
95.04967	6.0
95.08605	68.7
95.09213	3.5
97.06509	3.8
97.10162	6.0
105.07029	31.0
107.08594	44.6
109.06519	7.7
109.10164	53.0
111.08096	5.0
111.11730	5.7
117.07014	3.5
119.08586	31.6
121.10143	32.5
123.08131	5.6
123.11700	28.2
125.09639	6.7
131.08563	5.9
133.10120	25.3
135.11684	19.8
136.08823	1.9
137.09631	5.3
137.13255	8.3
139.11192	4.7
145.10124	11.4
147.11691	23.8
149.13223	17.5
151.11169	27.1
151.14754	2.5
159.11685	16.6
161.13245	19.0
163.14844	14.6
164.02748	2.1
165.12793	6.4
173.13298	9.9
175.14807	14.2
177.16386	7.2
179.14267	10.2
181.15857	2.5
187.14842	6.7
189.16360	11.9
191.14311	6.1
191.17934	4.5
201.16418	6.7
203.17987	6.8
215.17947	7.2
233.19096	2.9
245.22583	2.8
271.24216	24.2
273.99551	2.3
289.25259	60.0
290.25854	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	289.2529
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
51.15576	1.8
55.05512	13.8
57.07076	5.6
59.05012	2.2
67.05508	18.3
69.03422	1.9
69.06711	2.7
69.07073	50.3
69.75897	3.2
69.76257	3.2
71.04984	5.1
77.03944	1.8
79.05502	14.3
81.07060	79.1
83.08631	15.7
85.06565	2.1
91.05485	10.3
93.07053	37.0
95.08617	54.0
97.06531	5.1
97.10165	7.2
105.07047	26.0
107.08605	48.7
107.09266	1.5
108.08955	1.7
109.10159	41.2
111.08060	2.8
111.11726	7.0
117.07047	2.9
119.08601	30.9
121.10149	31.3
123.11710	32.1
125.09643	2.7
127.11191	3.7
131.08568	8.8
133.10143	19.6
135.11707	30.7
137.13251	7.8
139.11188	3.6
145.10120	14.5
147.11687	22.8
149.13264	42.7
151.11229	4.4
151.14807	3.0
159.11714	12.4
161.13263	20.0
163.14832	19.0
165.12741	8.2
167.14348	2.2
173.13239	11.7
175.14844	13.2
177.16423	10.0
179.14272	13.3
187.14813	7.3
189.16383	12.8
191.14310	14.2
191.17958	4.5
193.15894	3.5
201.16432	7.7
203.17947	6.0
205.15854	4.3
207.17473	4.2
215.17963	12.3
229.19499	3.8
231.21036	4.8
271.24176	32.0
272.24762	2.4
289.25250	100.0
290.25513	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
55.05516	14.0
57.07067	9.5
59.04990	2.2
67.05508	20.6
69.06708	2.6
69.07069	37.1
79.05501	12.4
81.07055	45.2
83.08629	12.6
85.06529	4.4
91.05476	13.3
93.07047	26.8
95.08607	48.4
95.09213	2.4
97.06502	1.5
97.10154	4.3
98.23457	5.4
99.08104	3.4
105.07031	37.7
107.07922	2.7
107.08594	34.1
107.87262	1.3
109.06518	1.6
109.10155	42.8
111.08104	1.6
111.11719	5.5
117.07016	5.2
119.08584	32.7
121.10150	28.8
123.11703	18.4
125.09612	2.3
125.13220	2.9
131.08556	17.8
133.10133	25.6
135.11702	22.1
137.13237	8.1
143.08481	1.9
144.09369	1.8
145.10126	18.3
147.11685	27.0
149.13246	21.9
151.11201	3.0
151.14828	3.6
153.12787	1.6
157.10191	2.1
159.11682	15.5
161.13264	32.8
163.14803	15.9
165.12762	13.1
173.13278	15.1
175.14848	15.0
177.12862	2.1
177.16414	10.5
179.14305	37.9
183.11708	2.1
187.14799	8.6
189.16359	8.5
191.14308	33.4
191.17934	3.7
193.15913	4.2
199.14905	1.7
201.16389	7.1
203.17911	2.8
205.15807	7.9
207.17477	3.1
215.17961	10.9
217.19455	2.1
219.17461	3.7
229.19466	3.7
231.21130	4.9
233.18901	3.3
271.24173	31.2
272.24652	2.0
289.21762	6.3
289.25229	100.0
290.25327	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	289.2525
Annotation	(E,E,E,E)-3,7,11,15-Tetramethyl-2,6,10,13,15-hexadecapentaen-1-ol
Peak:m/z	Relative Intensity
55.05503	12.9
57.07060	7.9
59.05004	3.6
61.87457	2.1
64.97799	2.5
67.05509	17.7
69.07063	28.7
71.04986	6.7
71.46829	2.9
75.22971	2.2
79.05492	12.5
81.07056	64.7
83.08610	13.1
85.06533	6.6
91.05484	11.1
93.07040	41.3
95.08598	53.5
97.06509	3.5
97.10167	8.1
99.08079	4.0
105.07027	22.8
107.08588	51.8
108.08931	2.2
109.06583	2.0
109.10155	41.0
111.08047	2.9
111.11740	4.8
117.07033	3.7
119.08563	27.1
121.10140	41.2
123.08083	3.1
123.11684	22.9
125.09620	2.9
125.89158	2.1
127.11192	14.2
131.08553	9.5
133.10123	20.3
135.11674	21.8
137.09599	2.8
137.13239	7.6
145.10107	9.4
147.11685	25.5
149.13255	50.3
151.11198	4.5
153.12743	3.7
159.11679	11.1
161.13261	23.8
163.14801	17.1
165.12750	6.2
171.13882	2.6
173.13283	9.7
175.14804	13.2
177.12901	2.3
177.16357	10.4
179.14281	11.9
187.14812	12.7
189.16385	6.1
191.14357	2.9
191.17963	6.8
193.15848	2.4
195.17436	2.7
201.16454	10.0
203.17953	23.7
205.15878	3.5
215.17937	5.6
217.19528	2.7
219.17618	2.4
233.18867	3.1
271.24200	39.5
289.18219	15.4
289.21750	4.8
289.25235	100.0
290.25562	4.7
301.51605	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03957	2.0
55.01855	2.4
55.05291	1.7
55.05514	19.0
57.07077	9.7
58.54762	1.3
59.04975	1.8
62.19323	1.3
67.05507	27.5
67.42577	1.3
69.03426	3.5
69.07072	56.2
71.04978	1.9
71.08637	4.1
71.22932	1.9
79.05495	20.4
81.07059	100.0
82.07420	1.4
83.08617	15.0
85.06519	3.7
86.17830	1.5
91.05474	8.8
93.07049	34.5
95.04980	2.8
95.08609	74.0
96.08896	2.1
97.06541	4.9
97.10158	9.6
99.08080	3.5
105.07021	26.4
106.07379	1.8
107.08594	42.6
108.08933	1.6
109.06508	7.0
109.10160	60.2
110.10530	1.8
111.08088	4.6
111.11719	5.1
117.07019	3.9
119.08578	34.6
121.10153	31.2
123.08060	4.0
123.11704	22.7
125.09613	4.7
131.08575	10.9
133.10127	27.2
135.11696	21.5
137.09610	5.5
137.13231	8.7
139.11183	3.2
143.08533	2.7
145.10126	18.3
147.11687	22.4
149.09634	1.6
149.13235	17.1
151.11163	19.4
151.14819	3.1
153.12753	1.9
159.11694	19.4
161.13260	19.5
163.11169	2.8
163.14796	9.7
165.12761	3.7
173.13252	11.8
175.14806	13.2
177.12796	1.6
177.16438	7.7
179.14304	4.1
187.14812	12.8
189.16406	9.8
191.14316	2.6
191.17950	4.6
193.15816	1.9
201.16353	9.3
203.17955	5.0
205.15848	3.8
207.17442	3.2
213.16451	1.4
215.17958	12.6
217.19527	1.9
228.18655	1.6
229.19441	2.9
231.20958	3.5
233.19270	1.8
271.24194	40.7
289.25235	73.3
290.25537	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	290.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.05508	1.7
65.03942	1.1
67.05505	28.9
68.05863	0.6
69.03419	4.5
69.07069	100.0
70.07401	1.1
71.05002	0.8
79.05492	5.5
81.03417	1.8
81.07036	4.2
85.67522	0.6
91.05483	23.1
92.05828	0.6
93.07048	8.9
95.04977	3.9
95.08607	5.8
105.07012	1.2
107.04979	2.0
107.08614	0.9
109.06501	2.1
109.10164	5.9
117.07039	1.3
119.04947	11.2
119.08566	3.5
123.04486	1.0
126.91022	0.6
131.04909	0.7
133.06480	1.2
135.04424	2.2
137.05983	86.8
137.09604	21.3
138.06322	2.8
147.04430	2.8
149.05983	2.9
161.06009	2.9
163.07544	3.3
173.05989	2.0
183.89386	0.8
203.07030	0.7
229.12280	3.3
233.45094	0.6
255.13831	1.3
273.14856	90.3
274.15167	4.2
290.17484	15.3
291.17737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	2.2
57.07085	9.1
60.04250	2.4
60.04533	37.8
67.05501	8.4
68.05031	3.7
69.03446	1.9
70.06589	4.1
71.05003	2.8
71.35345	2.1
72.04522	2.4
75.91119	1.5
79.05500	5.7
80.05016	6.5
81.07062	8.1
82.06599	2.1
84.03550	1.6
84.04508	3.5
84.08146	2.9
85.06540	8.4
90.05556	5.8
91.05510	3.0
93.07045	5.9
94.06570	5.7
95.04946	2.3
95.08605	4.1
96.04487	2.8
96.08186	2.8
98.97604	6.0
98.98509	1.9
106.06564	10.9
107.08602	2.6
110.06071	1.8
114.74975	1.7
116.98652	2.9
117.06969	2.0
118.06552	2.6
120.08102	2.6
132.06581	9.3
134.09705	3.0
136.07571	5.0
173.66588	1.6
180.13849	8.4
190.15952	2.8
194.15341	2.3
198.14894	8.8
206.15428	5.5
210.14978	2.2
216.15979	8.0
218.15425	9.6
224.16429	5.3
228.15898	2.8
236.16504	21.7
254.17540	16.4
272.18579	36.8
273.18893	2.0
290.19653	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
56.05033	3.6
56.96563	2.5
57.03434	1.3
57.06818	1.1
57.07076	13.8
58.06604	1.0
60.04526	44.3
67.05508	6.5
68.05017	3.1
69.03431	1.8
69.07061	3.3
70.06590	10.5
71.04984	3.1
71.45387	1.0
72.04508	5.4
74.06083	1.6
79.05504	6.0
80.05019	8.1
81.03391	1.8
81.07050	9.2
82.06587	2.3
83.04974	1.3
83.66373	1.0
84.04500	3.3
85.06541	11.6
90.05556	6.2
91.05478	4.5
93.07038	4.5
94.06561	5.1
95.04966	1.8
95.08602	4.9
96.04479	3.9
96.08131	1.7
97.06556	1.3
98.06049	1.7
98.97587	3.8
98.98489	1.2
103.32688	1.1
105.07062	2.0
106.06558	17.2
107.04927	1.3
107.08569	1.7
108.08130	3.0
109.06452	1.0
109.10177	1.1
110.06046	2.1
113.09662	1.6
114.05540	2.0
116.98625	2.6
117.06963	1.7
118.06548	2.9
119.04967	1.5
120.08115	2.2
121.10117	1.8
122.06007	3.4
122.09714	1.5
123.11684	1.8
124.07587	2.6
124.11209	1.7
127.11210	2.7
130.04994	2.5
132.06584	11.4
132.08089	1.3
134.09651	3.8
135.08104	1.2
135.11699	1.7
136.07564	9.0
137.06027	1.5
147.04413	3.5
148.11234	1.3
148.72597	0.9
150.09135	4.0
152.10655	1.3
152.14307	1.1
153.12823	1.4
154.08636	2.8
162.12799	1.3
176.10672	0.9
179.10669	1.5
180.13837	6.1
188.14301	1.5
190.15820	1.3
191.06953	1.7
194.15347	2.0
196.17046	1.1
198.14888	4.7
206.15375	8.3
208.16899	2.0
212.16443	3.1
216.15935	4.6
218.15398	15.1
224.16426	10.2
236.16434	27.6
237.16595	1.5
246.04408	5.8
254.17505	19.2
255.17889	1.8
264.05420	3.9
272.18564	61.3
273.18924	2.1
274.10757	1.0
280.92505	1.1
280.95682	1.1
290.19614	100.0
290.94781	2.1
291.20041	4.6
292.86996	0.8
301.24628	1.1
304.75522	1.0
307.97794	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	290.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38348	1.1
55.05513	13.2
57.03429	3.6
57.07073	2.2
58.06597	3.9
58.27708	0.8
67.05505	17.4
69.07068	16.6
69.19616	6.2
70.06597	7.4
76.63138	0.8
79.05496	4.6
81.07052	18.6
83.04981	1.1
83.08611	6.0
84.08159	1.8
86.09698	5.0
91.05498	2.3
93.07050	5.5
95.08607	16.1
97.10173	4.1
98.23409	2.6
105.06974	1.6
107.08604	4.5
109.10168	7.9
117.07014	3.7
119.08584	1.1
121.10142	3.5
123.04403	1.5
123.11722	2.4
131.08568	1.8
135.08067	2.3
135.11694	2.0
137.06012	1.2
137.13232	1.7
159.08096	1.9
163.07594	1.4
173.14546	0.9
177.09065	1.6
182.12041	0.8
187.07536	1.4
203.96512	1.0
204.10294	2.0
205.08572	6.8
224.23802	1.9
236.23755	5.9
244.16911	1.3
254.24782	42.8
255.25270	1.6
272.25851	55.9
273.14890	2.6
273.26059	1.5
290.17749	8.1
290.26889	100.0
291.27286	5.3
294.73233	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	16.7
60.32846	6.2
65.45455	6.5
67.05505	6.8
70.06595	45.7
72.08146	7.6
84.08134	8.0
86.09710	29.6
91.05478	8.3
98.97597	29.6
98.98474	11.2
104.63894	6.1
108.05574	9.8
110.07144	9.9
116.07085	13.3
116.98609	16.9
117.44896	6.1
123.04440	47.9
134.06929	5.8
139.03902	100.0
147.04428	27.2
148.11201	11.4
154.06140	7.9
161.01241	13.5
165.05444	19.9
187.14444	10.3
215.78513	7.0
246.90247	7.1
290.94720	19.5
291.01022	10.7
291.08365	9.6
291.13126	27.6
291.19928	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	291.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	27.5
70.52890	11.5
84.96038	10.4
89.44057	7.1
98.97587	48.6
101.00867	44.6
103.00630	11.5
113.00878	14.7
116.98608	27.3
119.01939	43.5
121.06516	10.2
126.62658	8.0
128.98660	7.8
131.01907	26.2
133.03458	9.5
137.03038	8.3
143.01865	42.0
147.04399	8.2
155.01952	20.3
157.03423	10.6
161.02974	85.4
168.97978	9.9
173.02982	30.6
178.78065	7.4
185.03006	17.5
191.04161	13.3
195.24266	9.4
197.03093	8.3
203.04028	24.8
219.01900	14.2
226.04083	9.5
248.99123	23.8
277.04080	12.4
290.94794	12.5
291.04749	92.1
291.09207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	42.2
57.83442	8.0
69.69410	26.6
72.08154	20.4
77.47356	8.2
88.31663	9.6
94.38346	9.4
98.97594	100.0
98.98470	26.6
105.43717	8.3
110.07170	29.6
111.04411	9.9
111.07516	19.3
116.98624	60.8
119.01919	8.3
119.04908	14.9
121.06500	20.3
128.98558	7.9
129.05464	19.4
134.99670	32.1
139.01595	10.5
143.00148	17.1
147.04416	56.5
154.04950	23.2
161.01271	19.7
175.02219	10.7
186.99117	12.9
188.53566	8.7
207.99202	11.1
230.98125	10.2
248.93523	8.3
248.99191	20.9
250.00267	8.3
290.94617	56.3
291.08350	88.5
292.20120	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0865
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
51.02405	0.3
55.01881	1.5
60.04519	0.4
61.75329	0.3
65.03958	1.1
67.05514	1.7
68.99785	1.7
69.82959	0.6
69.83283	0.6
72.55888	0.3
77.03906	0.4
83.04996	1.0
85.02914	0.4
91.05485	1.4
93.03416	0.9
95.04980	2.5
95.08720	0.3
97.02881	0.7
101.59258	0.4
105.07021	0.5
107.05000	0.4
111.00795	0.4
111.04449	2.6
115.05434	0.8
119.04955	5.2
121.02872	0.4
123.04436	63.8
124.04775	1.5
127.03912	0.8
131.04944	0.5
133.06543	0.9
135.04404	0.6
137.02303	0.8
137.06001	0.4
139.03905	100.0
140.04210	1.7
143.04919	2.5
147.04419	19.0
148.04750	0.8
151.03922	2.7
153.05424	0.7
161.05991	6.8
163.03947	1.8
165.05490	16.5
169.04993	2.4
177.05418	0.9
179.07021	2.2
181.04909	1.2
189.05441	1.5
204.84058	0.4
207.06543	6.3
207.15958	0.5
249.07552	1.8
250.26842	0.3
273.07523	1.4
291.08664	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	291.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66134	0.3
55.01869	1.1
55.04699	0.3
55.34819	0.4
57.07078	0.4
60.04522	1.1
65.03941	1.0
67.05509	1.5
68.99799	1.2
69.69582	0.6
69.69936	0.7
83.04981	1.2
91.05495	0.8
93.03406	1.1
95.04988	2.2
95.08650	0.3
97.02900	0.4
98.22278	0.3
105.03399	0.5
107.04985	0.5
111.04440	2.2
115.05486	0.7
119.04944	5.0
121.57767	0.3
123.04428	63.2
124.04776	1.1
125.04992	0.4
127.03907	1.0
131.04947	0.4
133.06519	1.1
135.04398	0.9
137.02385	0.5
137.05984	1.0
139.03897	100.0
140.04262	1.7
143.04927	2.3
147.04408	19.2
151.03911	2.8
151.07532	0.7
153.05473	0.7
159.04390	0.4
161.05971	7.5
163.03865	2.0
165.05475	16.0
166.05739	0.5
169.04947	2.0
177.05473	1.0
179.07018	2.8
181.04935	1.0
189.05435	1.6
205.08498	0.5
207.06508	6.8
218.15579	0.3
236.03986	0.3
249.07515	1.6
272.18533	0.9
273.07510	1.7
273.18771	0.9
290.19626	1.6
291.08603	8.5
291.11798	0.7
291.19971	1.1
292.20700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0976
Annotation	N-Malonyltryptophan
Peak:m/z	Relative Intensity
50.86457	0.9
56.96567	2.6
63.54693	0.9
69.11291	2.0
69.11694	5.4
69.65856	0.9
70.06584	2.1
72.08155	5.1
75.87307	1.0
84.08156	1.8
86.09752	1.4
87.00843	2.5
88.03973	1.5
91.05489	2.1
92.12531	0.9
98.23531	1.9
98.97591	3.4
98.98478	2.8
109.10249	1.1
112.11227	2.6
115.05460	4.2
116.98636	1.7
117.05744	1.5
118.06530	12.6
119.04968	4.4
122.06006	1.2
129.07088	1.2
130.06526	99.1
131.04973	1.0
131.06905	2.3
132.08087	33.3
136.06161	1.4
142.06526	9.5
143.07307	2.6
144.08069	5.8
146.06017	16.6
147.04414	20.5
154.05013	1.1
154.06523	1.4
156.02956	1.3
156.08076	3.8
157.07616	4.7
158.06076	1.5
158.08374	4.7
159.09180	92.3
160.07549	5.8
160.09483	2.3
161.06032	0.9
167.06033	2.0
169.07628	2.5
170.06018	32.8
171.06523	1.3
172.07593	1.4
174.04106	1.6
177.02277	3.5
181.07635	1.9
182.06032	1.7
183.09212	5.4
184.07581	20.4
185.07089	43.6
187.08691	4.4
188.07063	39.9
189.07281	1.5
195.03262	2.7
199.08667	2.1
200.07072	10.5
201.10199	11.6
204.10266	2.4
205.09744	2.6
208.80847	1.0
209.07074	1.9
218.11842	1.7
227.08147	45.7
228.08432	2.1
229.09872	2.2
231.07622	4.3
241.03917	1.3
243.11227	1.4
245.09218	100.0
246.09561	3.9
255.07808	4.6
273.08713	12.1
273.11969	1.8
275.17584	1.8
290.94864	1.5
291.06393	2.1
291.09705	2.6
291.13348	5.7
291.16873	4.0
292.20221	13.0
293.98758	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23963	0.7
53.03946	1.0
55.01866	0.7
55.05508	10.1
56.22400	0.6
57.03436	1.4
59.05000	1.0
65.03944	1.1
67.05508	47.4
68.99788	2.2
69.03425	1.7
69.07069	4.4
69.07388	0.8
69.56991	2.6
71.04995	5.7
72.34673	0.6
73.06954	0.6
74.46530	0.6
79.05492	7.3
81.03468	0.9
81.07059	100.0
82.07388	1.1
83.04987	1.8
83.08625	3.1
85.06552	8.3
87.00833	17.6
87.04463	0.9
91.05486	9.4
93.07051	5.5
95.04984	3.3
95.08632	5.1
97.06543	1.2
97.10175	2.5
98.98489	1.0
99.04449	0.8
105.01865	5.4
105.07035	10.0
107.08585	5.9
109.06516	6.3
109.10160	7.5
111.04436	0.7
111.08066	1.7
113.05970	0.6
119.04945	1.1
123.11710	69.4
124.12070	1.8
129.09108	1.4
131.08623	0.9
133.10127	17.9
141.12752	26.5
147.04391	3.7
151.11188	37.4
152.11516	1.9
159.13850	3.1
169.12224	9.7
187.13304	15.0
202.07794	1.0
203.08514	2.0
204.08585	0.7
204.10194	3.9
227.12802	3.5
231.08145	1.9
248.08278	1.0
255.12321	3.5
259.07602	1.6
260.08212	1.7
273.13364	2.8
276.07855	1.1
291.10175	9.2
291.13190	1.3
291.16531	0.8
291.19757	0.8
292.15237	1.0
292.20221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26797	0.8
55.05511	10.6
57.03434	1.9
57.07074	1.6
59.05003	1.8
65.03933	1.6
65.78109	0.8
67.05505	47.5
68.99784	2.4
69.03416	1.7
69.07063	4.9
69.30410	3.8
69.30814	1.4
70.06594	1.2
71.04999	6.4
72.08160	1.0
73.06489	0.9
74.89922	0.9
76.43420	0.9
79.05495	7.9
81.07057	100.0
82.07387	2.0
83.04971	2.3
83.08613	3.7
85.06538	6.6
87.00831	20.2
91.05482	6.8
93.07055	6.5
95.04962	2.7
95.08607	7.5
97.10201	2.0
98.23478	1.4
98.97591	0.9
98.98467	1.5
105.01861	4.4
105.07028	7.3
107.04955	38.5
107.08579	6.4
108.05260	0.9
109.06525	5.8
109.10155	8.5
111.02167	0.8
111.08090	1.4
112.11230	0.8
116.98631	1.1
119.04919	0.8
119.08572	1.5
121.10114	1.7
123.04375	0.8
123.07967	1.2
123.11708	72.7
124.12011	1.6
131.08582	1.6
133.10135	16.7
141.12740	27.6
147.04385	3.3
151.11179	36.1
159.13791	3.7
169.12236	9.0
185.04445	5.6
187.13290	11.0
204.10167	2.0
227.12741	2.6
254.24771	2.7
255.12234	3.0
255.25055	2.2
272.25858	1.8
273.13144	1.9
290.26895	3.0
291.15491	1.1
291.19693	1.5
291.22995	1.0
291.27014	2.0
292.20245	1.7
295.50565	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14773	0.2
60.04530	0.5
65.03939	0.4
67.05483	0.3
69.07061	1.0
71.46014	0.3
72.04507	1.4
72.08159	0.3
79.05466	0.3
86.09704	7.4
91.05479	6.9
97.06467	0.2
98.97549	0.3
98.98460	0.5
103.12363	0.3
116.98653	0.3
119.04942	23.9
120.05297	0.4
123.04438	3.0
127.03916	0.4
128.10712	6.5
129.10255	1.2
130.06525	0.3
139.03903	0.3
145.13358	46.2
146.13707	0.8
147.04404	100.0
148.04767	2.3
159.09161	0.2
169.04974	0.3
171.11301	2.6
204.10143	0.5
227.07991	0.2
248.16455	0.7
291.16980	8.3
292.20190	0.4
297.62885	0.3
311.80170	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03940	4.9
55.01869	9.2
55.05516	25.8
55.72826	3.1
57.03437	100.0
57.07069	3.0
59.04997	5.7
60.07930	2.7
65.03932	6.2
67.05157	5.0
67.05504	80.8
67.52140	2.2
69.03428	3.3
69.07070	17.2
71.04980	5.9
71.47050	3.5
79.05491	49.8
81.03400	3.5
81.07054	56.3
83.04978	8.1
83.08601	15.3
85.06535	25.6
88.49749	2.3
90.74450	2.6
91.05484	87.2
93.07045	51.1
95.04953	13.8
95.08607	32.3
97.06533	11.4
97.10186	5.1
98.97591	3.4
105.07026	52.9
107.04951	22.9
107.08566	26.2
109.06516	60.5
109.10172	9.1
111.08076	8.7
115.05446	4.8
116.06231	3.2
117.07010	51.0
119.08584	31.0
121.06518	11.0
121.10146	12.0
123.08047	6.8
125.05933	2.7
125.09610	4.5
128.06223	5.9
129.07005	26.4
130.07767	4.3
131.08565	38.2
133.06523	3.8
133.10117	17.1
135.08047	35.2
135.11716	5.3
137.09607	9.2
141.06982	4.8
142.07828	4.6
142.96187	2.6
143.08568	21.9
145.06531	4.2
145.10117	35.0
147.08054	32.7
147.11591	5.6
149.09619	12.4
149.13210	3.5
151.07570	5.9
151.11217	3.5
155.08604	3.0
157.10114	26.7
159.08138	4.6
159.11670	15.9
161.09637	16.1
163.11160	4.7
165.09198	2.8
169.10138	4.3
171.11719	11.7
173.09647	3.2
173.13301	8.2
175.11130	12.9
181.10226	3.2
182.14590	2.4
183.11665	7.0
185.09633	3.0
185.13335	3.7
189.12750	3.2
191.14288	4.1
195.11740	2.9
199.11143	5.0
199.14922	12.3
201.12761	14.7
207.13835	4.6
217.15855	59.2
218.16225	3.8
219.13890	10.0
227.18088	3.0
233.15396	10.2
237.16379	4.4
255.17574	13.2
273.18463	82.2
274.18600	3.2
288.42899	2.7
291.19543	64.8
291.29758	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1949
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03933	4.9
55.01869	14.1
55.05514	41.3
57.03436	6.8
59.04990	2.8
65.03909	2.6
67.05212	2.6
67.05508	30.8
69.03424	6.7
69.07055	10.0
69.19706	14.6
71.04984	5.5
79.05493	54.8
81.03414	2.5
81.07059	52.8
83.04966	7.8
83.08628	16.8
85.06544	2.3
91.05478	59.4
93.07046	27.7
95.04945	11.8
95.08604	15.1
97.10181	21.8
98.97545	4.8
98.98445	4.2
105.03409	3.5
105.04508	2.4
105.07032	20.4
107.04957	15.1
107.08585	21.1
109.06526	6.5
109.10166	8.3
111.08118	4.5
115.05463	4.3
117.07014	30.0
119.04928	3.6
119.08578	64.5
121.06516	14.1
121.10116	6.4
123.08069	3.9
125.09616	20.5
128.06250	3.4
129.07066	13.1
130.07788	3.0
131.08571	22.1
133.06499	6.8
133.10144	8.1
135.08060	10.1
135.11690	4.3
143.08572	16.5
145.10124	27.6
147.06897	2.4
147.08055	42.9
147.11678	4.4
149.09616	3.9
151.07570	4.0
153.09142	2.6
155.08568	2.2
157.10129	10.1
159.11674	8.4
161.09616	6.6
163.11134	4.9
165.12794	2.7
169.10094	3.4
171.10291	3.8
171.11705	6.0
185.13249	4.3
187.14594	2.5
189.11255	14.8
203.14388	3.0
204.10139	2.7
205.12234	2.5
207.13826	3.2
213.16550	2.7
227.17976	3.6
229.23471	2.9
237.16441	3.1
245.18854	3.5
249.14847	6.7
255.17451	8.0
273.18472	100.0
274.18643	4.0
291.19543	76.3
291.27057	2.7
292.20117	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03934	2.1
55.01871	8.4
55.05258	1.3
55.05511	20.8
57.03434	5.2
57.07070	2.4
65.03938	1.4
67.05155	1.4
67.05505	24.0
69.03419	3.1
69.07066	11.1
69.81289	1.5
70.06587	2.7
71.04988	3.5
71.06923	1.0
77.03920	1.5
79.05495	34.2
80.05817	1.1
81.03413	3.9
81.07057	49.6
82.07350	0.7
83.04990	4.0
83.08623	7.5
85.06535	2.1
88.07635	4.0
89.07967	1.4
91.05481	23.2
93.07044	20.8
94.13948	0.7
95.04968	19.9
95.08611	12.9
97.06535	3.1
97.10162	6.4
99.08090	0.7
102.09183	2.1
103.05463	0.9
105.04508	1.2
105.07030	17.6
107.04961	10.9
107.08597	14.2
109.06515	13.9
109.10155	6.7
111.04430	2.1
111.08088	2.9
115.05504	1.4
116.06277	1.5
117.07028	13.4
119.04923	1.6
119.08585	23.1
121.06506	12.0
121.10131	6.5
123.08076	13.8
123.11729	1.3
125.09653	6.1
127.31532	0.7
128.06216	1.6
129.07025	5.1
131.08571	11.2
132.05664	0.9
133.06503	3.0
133.10109	4.8
135.08070	11.7
135.11688	2.8
137.09616	2.9
141.06998	1.3
143.08591	5.2
144.09366	0.7
145.10121	13.7
147.08049	15.3
147.11676	2.7
149.09613	8.0
151.07559	1.1
151.11212	1.1
153.09106	3.9
155.08588	0.8
157.06482	0.9
157.10115	5.6
159.08066	2.3
159.11638	4.5
161.09666	7.0
163.07654	1.0
163.11169	9.8
165.09131	6.0
165.12727	0.8
169.10167	1.7
171.10252	1.7
171.11710	3.1
173.09592	1.6
173.13173	1.4
175.11200	3.0
177.12773	1.1
181.12201	1.0
183.11673	1.1
185.09624	1.3
185.13222	0.9
187.11179	1.7
187.14894	1.0
189.11301	4.0
189.12715	1.4
193.12265	1.7
195.11623	0.9
199.11163	1.3
199.14822	1.1
201.12761	0.8
211.14938	0.8
213.12769	2.0
213.16478	1.0
217.15851	2.4
219.13901	1.0
223.13228	3.5
227.18019	2.4
228.23177	1.6
229.23552	7.9
237.16472	1.5
245.19014	3.4
249.14859	4.9
255.17401	4.9
256.17731	0.8
263.20004	1.6
273.18500	30.3
274.18787	1.4
290.26953	1.0
291.19543	100.0
291.27139	24.0
292.19873	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	291.1957
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03919	5.2
55.01869	24.8
55.05512	24.9
57.03429	8.1
57.07067	2.9
65.03930	3.3
67.05506	60.9
68.99802	2.5
69.03421	4.6
69.07065	36.8
69.56750	10.4
71.04986	9.9
71.08613	2.7
77.03930	2.8
79.05043	4.4
79.05492	75.9
81.03405	6.3
81.07059	50.4
83.04987	11.5
83.08614	13.4
88.67458	2.3
91.05481	75.1
93.07045	84.4
95.04971	20.2
95.08605	100.0
97.06498	6.4
97.10161	7.2
98.16135	2.2
99.04430	2.7
103.05440	4.5
105.04531	4.2
105.07028	42.3
107.04253	5.5
107.04953	82.5
107.05680	4.9
107.08598	42.8
109.06532	12.6
109.10167	24.6
111.08062	5.6
115.05463	6.5
117.07031	29.4
119.08583	51.2
121.06488	9.3
121.10163	13.6
123.04430	6.4
123.08077	20.7
125.09649	6.2
128.06230	5.2
129.07002	14.0
130.07721	4.0
131.08539	23.2
132.98654	2.7
133.06476	7.9
133.10130	23.8
135.08057	53.9
135.11716	4.5
137.09628	37.6
143.08548	19.4
145.06540	3.8
145.10130	40.1
147.08025	10.3
147.11670	8.4
149.06001	4.6
149.09659	19.2
149.13297	3.4
151.07513	4.4
155.08498	2.7
155.10648	7.9
157.10117	11.3
159.11693	12.1
161.09586	11.6
161.13225	6.9
162.06763	3.4
163.11172	10.1
165.09114	11.0
171.11700	19.5
173.09576	2.6
173.13371	3.0
175.11124	7.7
177.09117	43.1
179.10565	3.0
183.10202	3.5
185.13264	10.2
195.11693	3.2
199.11116	2.6
207.13742	2.8
219.22218	2.7
227.17897	22.5
245.19092	13.7
255.17392	8.2
273.18488	47.8
274.18661	2.7
291.19312	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1956
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01873	2.0
55.05514	9.0
57.03440	1.6
57.07075	2.7
59.04988	3.3
67.05488	6.9
69.03432	3.8
69.07085	2.1
69.81665	3.7
71.04980	4.5
77.05424	1.1
79.05495	12.9
81.07053	12.3
83.04988	2.3
83.08627	8.1
83.21220	1.3
85.02895	1.7
85.06559	1.5
88.07593	1.0
91.05477	4.9
93.07042	12.5
95.04976	7.3
95.08606	17.6
96.35806	1.0
97.06509	6.5
98.97588	1.3
98.98441	1.2
105.07018	11.2
107.04954	17.2
107.08604	13.8
109.06524	8.3
109.10171	2.9
111.08085	41.7
113.09633	2.4
115.05471	1.4
117.06963	2.3
118.62518	1.1
119.08579	10.6
121.06500	3.0
121.10159	8.6
123.08068	33.3
125.09628	2.6
129.07047	1.3
131.07703	1.6
131.08543	7.5
132.98761	1.4
133.06496	3.3
133.10130	10.3
135.08034	7.8
135.11693	3.6
137.09631	4.9
141.05508	1.2
145.10138	7.1
147.08060	3.1
147.11676	6.7
149.09637	7.9
151.07547	100.0
152.07857	2.8
155.10672	4.0
156.09283	1.9
157.10153	5.6
159.11790	1.8
161.09651	2.9
161.13216	1.2
163.11205	4.0
163.36821	1.0
171.11702	2.5
173.09636	1.4
173.13225	8.4
174.10556	1.5
175.11198	4.9
177.09108	2.4
179.10692	4.7
181.12202	1.7
182.10933	1.3
189.12752	26.9
191.14305	14.6
192.11389	5.3
197.11700	17.1
197.13274	2.4
204.10205	1.8
207.13800	67.7
208.14171	3.6
211.13293	2.9
213.16435	1.4
215.14287	5.4
217.12282	3.7
231.17381	2.7
233.15363	61.6
234.15627	2.4
235.13321	2.4
249.18507	2.3
255.17450	2.9
273.18460	9.3
291.19547	72.2
291.27167	3.9
292.19910	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	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.06122	3.0
53.03942	3.2
53.32822	2.8
55.05508	23.7
57.07074	7.3
57.27750	3.0
67.05505	43.0
69.07060	19.3
79.05496	81.9
81.07060	50.0
83.08609	7.6
90.47685	2.8
91.05489	30.1
93.07045	100.0
95.04961	9.7
95.08626	43.1
97.10157	4.6
100.61528	3.0
105.04500	5.5
105.07044	23.2
107.08595	60.7
109.06522	7.1
109.10175	16.0
117.07030	4.2
119.08611	15.2
121.10149	50.8
131.08582	9.4
133.10130	11.6
135.11693	60.3
143.08534	3.3
145.10103	10.4
147.11691	10.2
149.13252	43.1
157.10078	4.0
159.11755	6.0
161.13257	11.1
163.11186	7.0
163.14807	12.1
175.14879	6.9
177.12775	6.9
177.16489	3.6
185.13226	4.7
199.14931	4.9
217.19275	4.0
231.91266	3.2
241.19543	7.5
249.18477	3.4
259.20551	9.6
291.23178	96.7
292.23547	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	291.2321
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03943	2.6
55.01886	1.8
55.05514	17.4
57.07072	2.0
59.04985	1.4
65.03943	2.8
67.05508	35.7
68.05847	1.2
68.86002	0.9
69.03432	1.0
69.07072	15.1
69.68797	3.2
73.06547	1.9
74.76308	0.9
77.03920	1.5
79.05498	70.1
80.73007	0.9
81.07059	44.9
83.04983	2.2
83.08624	9.3
85.06540	3.8
91.04939	1.8
91.05482	29.6
93.07048	100.0
94.07363	1.4
95.04971	7.1
95.08611	32.5
96.60572	0.9
97.06514	3.2
97.10172	3.5
98.22715	1.0
99.08089	1.7
101.05985	0.9
105.04534	2.3
105.07029	14.5
107.04951	1.8
107.08597	55.0
108.08923	1.1
109.06512	3.4
109.10158	13.9
111.08111	1.6
113.12034	0.9
117.06999	4.0
119.05999	1.2
119.08574	12.5
121.06513	1.2
121.10149	50.4
123.08026	2.1
123.11665	4.6
125.09624	1.8
129.06993	1.8
131.08560	7.3
133.10129	13.7
135.08037	2.8
135.11696	57.3
136.12074	2.0
137.09619	2.4
137.13217	1.2
139.11183	1.5
143.08533	2.6
145.10158	6.0
147.10687	1.3
147.11700	9.3
149.09666	5.3
149.13264	33.4
149.14464	2.0
150.13669	1.2
151.11197	1.3
157.10046	1.6
159.11682	5.0
161.13240	7.9
163.11172	3.3
163.14824	10.2
171.11661	3.1
173.13274	3.0
175.11125	0.9
175.14867	5.6
177.12778	3.3
177.16306	1.5
181.12306	1.3
185.13229	4.3
189.12646	2.2
195.13768	1.7
199.14841	3.0
209.15401	1.3
213.16394	1.8
215.18051	0.9
217.15913	1.6
217.19566	1.4
231.17477	1.7
231.21127	1.2
235.17036	2.8
241.19479	5.4
249.18542	2.6
259.20609	7.9
273.18405	1.5
291.23163	82.8
292.23511	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.232
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03938	2.5
55.05507	18.1
57.07059	6.1
59.89817	1.8
65.03922	1.7
66.24039	1.7
67.05164	2.4
67.05503	35.1
69.07064	16.3
69.29002	5.3
69.29405	3.0
73.06520	1.6
79.05492	68.8
80.05830	1.5
81.07051	43.5
83.04969	2.0
83.08601	7.8
85.06532	3.4
91.05476	26.4
93.07042	100.0
95.04978	8.1
95.08606	30.9
97.06533	3.3
97.10165	4.5
98.23425	3.6
105.04508	4.8
105.07030	19.8
107.04943	6.2
107.08592	60.6
109.06510	5.3
109.10168	15.0
111.08089	2.3
115.07603	2.0
117.06988	3.1
119.08579	19.1
121.10143	48.1
123.08089	2.6
123.11700	5.5
129.07021	2.4
131.08556	7.2
133.10144	13.2
134.40543	1.8
135.08043	3.5
135.11693	52.1
136.12001	1.9
143.08514	3.1
145.10110	5.7
147.11668	9.2
149.09607	5.7
149.13249	31.9
149.80008	1.7
151.11156	2.3
157.10118	3.4
159.11655	4.5
161.09705	2.0
161.13211	7.2
163.11192	4.6
163.14841	12.1
171.11642	3.4
173.13358	2.0
175.11064	1.8
175.14807	5.4
177.12843	2.4
185.13222	4.1
189.12749	3.7
199.14816	2.4
213.16368	3.1
217.15891	1.9
217.19539	2.0
221.15367	1.9
231.17377	2.4
231.20976	2.0
241.19470	4.5
245.53601	1.4
249.18376	2.2
259.20569	9.0
273.18484	2.1
291.19553	8.1
291.23117	65.1
292.23340	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	292.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12040	0.3
51.95432	0.3
52.94250	0.2
53.06221	0.2
54.46835	0.3
55.05508	1.5
57.07087	0.3
57.37107	0.3
67.05506	1.5
69.03429	0.4
69.07064	1.4
69.45850	0.8
69.46241	0.5
73.83340	0.3
76.06773	0.2
79.05489	1.7
81.07059	1.4
83.04981	1.2
91.05480	1.3
93.07051	1.8
94.04056	0.7
95.00992	0.3
95.04993	0.4
95.08585	1.4
98.23415	0.5
98.97546	0.4
105.07037	0.7
105.49859	0.3
107.04990	0.5
107.08578	0.3
119.03560	1.8
119.08618	0.5
120.47549	0.3
121.10190	0.4
128.18864	0.3
131.08554	0.8
135.08084	0.4
136.06181	100.0
137.04587	1.2
137.05771	0.6
137.06686	0.5
139.11198	1.3
152.46873	0.3
174.07736	0.9
229.07477	2.0
247.08563	1.3
251.05684	0.3
261.66049	0.3
274.18848	0.6
275.16473	0.6
275.20032	0.3
292.17630	84.5
293.06696	9.8
293.13596	1.8
293.17886	4.4
293.21039	0.5
311.07709	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37121	0.3
53.12492	0.3
55.05504	1.8
57.35812	0.3
67.05502	0.7
69.07077	2.4
69.20810	2.1
71.02853	0.4
71.85774	0.3
77.36753	0.3
79.05488	0.8
79.32539	0.4
81.07055	1.6
83.04965	1.0
93.07035	1.4
94.04048	0.6
95.08611	0.9
97.06561	0.5
97.10177	0.5
116.98606	0.6
119.03533	1.3
123.11676	0.4
136.06183	100.0
137.04559	1.0
137.06499	1.2
139.11197	0.6
154.29517	0.3
177.05493	0.5
191.06850	0.4
277.08530	0.5
292.10712	1.6
292.17664	67.0
293.17926	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	292.212
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.2
56.05036	3.2
56.96558	1.3
57.07076	2.4
60.04530	46.3
67.05518	8.5
68.05016	4.0
69.03441	1.8
69.07075	10.9
70.06582	1.8
71.08636	1.2
72.04521	3.5
72.08179	1.2
74.85783	1.2
79.05483	1.9
80.05020	4.5
81.07061	12.0
82.06579	3.3
83.08627	2.6
84.04485	3.3
84.08128	2.1
85.02921	2.1
85.06550	1.6
86.06080	1.2
90.05537	1.9
91.05453	2.0
93.07070	3.4
94.06576	5.1
95.04987	1.7
95.08588	6.3
96.04493	3.4
98.06067	3.2
98.97601	4.6
98.98469	1.5
100.07613	3.0
108.08195	1.9
109.10146	2.4
110.06036	4.0
114.05514	4.5
116.98672	2.3
117.03372	4.2
119.08580	1.5
120.08117	1.6
122.06042	2.5
123.11717	2.6
126.05556	1.9
132.06577	24.4
135.11739	1.2
140.07088	2.8
141.12785	2.0
145.02853	16.9
147.04420	3.1
149.06030	1.1
158.08133	7.1
174.03925	2.3
177.05469	38.6
177.06982	2.2
190.15947	4.7
196.17003	5.4
208.16962	3.0
212.26099	1.2
220.17049	6.4
238.18057	14.0
239.18419	1.8
256.19058	27.4
257.19409	1.6
274.20148	59.3
275.20517	2.3
276.12317	4.4
292.21228	100.0
293.15427	1.7
293.18698	5.1
293.21619	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	292.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21254	1.2
55.05505	6.0
56.05039	2.9
57.07074	2.2
60.04525	41.7
64.47176	1.2
67.05514	7.3
68.05033	2.8
69.03439	1.3
69.07064	7.7
70.06587	2.7
71.04984	1.3
71.45348	1.0
72.04513	3.4
76.39211	1.0
79.05488	3.4
80.05017	5.6
81.03418	1.5
81.07059	8.9
82.06567	2.6
83.05004	1.8
84.04499	2.6
84.08128	2.4
85.02886	1.5
85.06544	2.3
86.06093	1.8
86.09721	2.4
89.03943	1.4
90.05552	1.4
93.07053	2.5
94.06572	3.8
95.08601	5.8
96.04486	2.7
96.08167	2.0
98.06046	3.9
98.97553	1.9
98.98476	1.9
100.07590	1.4
100.11263	1.3
105.07056	1.3
105.99382	1.1
107.08647	1.2
108.08107	1.8
109.10109	1.9
110.06058	3.9
114.05542	2.6
116.98611	2.2
117.03382	3.6
117.13963	1.5
119.08579	1.3
120.08094	2.1
122.06056	3.2
123.11720	2.0
124.07561	1.6
126.05538	1.2
128.07074	1.2
132.06558	23.0
134.99561	1.2
137.08722	1.0
140.07080	3.4
145.02853	17.6
147.04445	2.8
149.05978	1.8
154.15959	1.6
158.08157	5.5
161.13205	1.1
170.15465	1.2
174.04005	2.1
177.05475	41.5
178.15860	2.0
190.15941	3.5
192.17625	1.3
196.16986	5.5
208.17030	3.1
220.16902	5.4
238.18076	15.2
254.17903	1.2
256.19086	29.4
270.38501	1.5
274.20129	56.3
274.23123	2.7
275.20386	1.5
276.12402	4.1
292.21198	100.0
293.18582	6.5
293.21292	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77759	0.5
71.17806	0.5
71.43533	0.6
75.40209	0.5
98.97597	0.5
98.98447	1.1
101.00877	0.8
104.08981	0.5
110.49643	0.6
119.01918	2.6
122.60511	0.4
130.90378	0.6
134.99921	0.6
137.02980	1.0
140.98842	0.6
158.99904	3.1
177.00960	28.7
178.01054	2.6
185.01448	1.1
201.00862	0.8
203.02516	19.7
204.02673	1.4
205.00456	1.0
208.96091	0.5
210.99406	2.0
219.02013	10.0
219.55524	0.5
220.02017	0.7
221.01888	1.3
229.00443	8.1
230.00525	1.0
233.96295	0.5
239.30872	0.5
245.03653	0.6
247.01514	100.0
248.01620	9.1
252.02127	0.7
261.03003	1.0
270.03070	8.9
271.03192	0.8
274.97134	0.9
289.02692	0.9
292.97745	1.3
293.15845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	3.6
63.98362	2.3
69.92318	3.6
73.02915	4.4
85.06528	2.7
94.93009	12.5
96.73293	2.4
96.92817	4.0
98.97563	3.2
98.98483	2.8
101.00870	15.0
110.01381	4.6
110.97561	6.6
112.89609	47.5
113.00837	4.6
116.95079	2.2
117.03374	3.1
118.08633	3.8
119.01942	20.7
122.01382	8.8
128.01355	10.7
128.98584	4.1
130.38469	2.1
131.01904	25.1
131.51968	4.4
136.94044	4.5
137.01917	27.4
137.02922	4.3
137.51926	3.5
140.98576	2.5
143.01903	72.7
144.01949	2.9
145.02817	15.2
146.02374	2.5
147.04410	3.0
149.01877	4.3
150.91960	6.7
150.95547	2.5
152.02457	5.2
155.01900	23.5
158.02437	3.4
161.02957	72.2
161.99539	50.8
162.03040	3.9
173.02971	69.3
173.52979	6.1
174.03009	2.6
177.05464	37.8
179.52998	3.0
182.03488	2.5
185.02988	6.4
191.04024	13.5
196.04590	2.4
201.00807	5.0
203.04024	46.7
203.54129	3.6
208.50043	2.3
210.90573	2.4
212.04495	7.1
215.03984	2.4
221.05057	4.4
233.05054	8.5
237.02928	2.1
249.23596	2.4
250.92117	4.6
251.04375	2.6
263.06113	9.4
276.12317	8.9
292.93097	6.2
292.96063	3.4
293.06305	100.0
294.03653	4.7
294.06805	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	293.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77095	1.7
58.06791	1.6
65.59512	1.9
66.60076	1.6
70.72652	2.6
73.38802	2.0
83.15826	2.2
88.64862	1.7
94.92997	4.5
96.92799	2.1
112.88814	2.0
112.89600	36.0
114.89333	6.5
153.83162	1.8
161.99522	17.8
162.95078	1.8
169.55360	1.8
188.91548	6.0
216.94829	1.9
232.92332	3.7
292.92941	2.3
293.06305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.05502	4.1
56.96554	3.7
57.03426	2.6
57.07054	1.1
63.84985	1.0
67.05505	11.3
68.05814	1.5
69.07058	3.5
71.04974	1.5
71.08601	1.5
79.05492	9.0
81.03406	4.1
81.07059	9.2
83.04975	1.5
83.08617	1.4
85.06557	1.5
91.05475	8.4
93.07025	7.6
95.04957	4.7
95.08605	7.5
97.06523	1.1
98.97570	1.5
98.98457	1.2
99.08073	1.1
103.05483	1.4
105.07023	7.8
107.04938	2.8
107.08579	3.6
107.09254	1.0
109.06538	1.9
109.10156	1.6
114.67696	1.1
117.07012	3.3
119.08583	3.1
121.10143	1.5
128.63660	1.3
129.06990	2.0
131.08542	4.9
133.10124	1.5
135.07976	1.2
136.06180	76.9
137.04668	1.4
137.06619	17.1
139.11192	1.4
145.10120	2.9
147.11635	1.5
149.09610	2.6
151.11185	8.4
157.10158	1.7
159.11702	2.1
173.13246	4.6
177.05579	1.3
191.14340	2.6
199.06422	3.6
201.12849	1.7
211.06384	3.0
217.07428	2.6
219.13930	1.7
229.07475	26.6
247.08514	15.8
251.05634	3.2
252.08809	1.6
257.19031	1.5
269.06638	1.4
274.71484	1.1
275.17062	1.2
275.20038	6.8
292.17587	25.0
292.20410	1.7
293.06702	100.0
293.13599	37.3
293.17834	43.4
293.20901	3.5
294.07239	2.3
294.13858	1.9
294.17001	1.7
311.07874	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	293.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31249	0.8
64.67092	0.7
64.79066	0.8
65.13168	0.8
65.78694	0.7
69.32961	4.0
72.08157	3.7
84.08153	1.0
89.03928	2.9
91.05492	1.6
98.97588	5.0
98.98489	1.6
100.07614	3.2
114.74978	0.8
116.98620	2.8
117.03378	13.6
119.04909	1.6
120.08072	1.2
130.12268	3.1
134.99660	1.3
145.02850	47.2
146.03172	1.4
147.04399	5.7
147.14912	3.4
149.05962	5.1
150.60146	0.8
163.03856	0.9
167.01616	0.8
176.07002	0.8
177.05478	100.0
178.05756	3.0
184.18892	0.7
215.04816	0.7
219.10051	0.8
231.64836	0.7
246.11162	0.9
251.95142	0.9
274.97583	1.6
276.12344	13.8
277.12335	0.8
293.15082	2.7
293.18692	2.7
298.40408	0.8
310.95889	1.3
314.26892	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06662	0.2
62.56592	0.2
70.06160	0.7
72.08150	1.5
86.09705	0.8
89.03912	2.5
91.05469	0.5
100.07626	2.4
100.11258	0.8
103.03227	0.3
117.03376	12.1
117.13889	0.6
119.04947	1.2
130.12306	1.0
132.67346	0.3
134.03606	0.9
135.04390	0.6
137.69621	0.2
145.02850	43.3
146.03172	1.4
147.04413	5.2
147.14931	0.9
149.05981	5.0
163.03920	0.3
175.73958	0.3
177.05472	100.0
178.05797	2.8
204.10161	0.5
241.19630	0.3
264.12335	0.4
276.12323	14.6
276.15363	0.6
277.12576	0.8
293.15131	0.7
293.18546	4.7
293.21570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
57.32167	0.3
58.00889	0.3
69.07068	0.4
69.41717	1.4
69.84050	0.3
71.04985	0.8
72.08150	1.8
83.04958	0.5
84.08145	1.4
86.09701	5.1
88.07652	0.4
89.03918	2.9
91.05489	0.9
95.08584	0.4
98.97620	0.7
98.98446	0.5
100.07615	1.9
100.11260	6.2
102.09203	0.6
103.05480	0.4
106.04151	0.4
112.07600	0.3
114.05527	0.8
117.03374	15.7
117.13893	7.8
118.03696	0.5
119.04922	1.6
119.11789	0.5
126.05515	0.7
130.12292	0.9
134.03622	1.0
135.04405	1.1
136.06186	0.4
137.05927	0.4
143.11819	1.7
145.02841	57.6
146.03210	1.3
147.04408	7.1
147.14917	1.0
149.05984	7.0
149.07271	0.4
163.03882	0.5
168.28181	0.3
175.03842	0.4
177.05466	100.0
178.05797	2.7
186.05540	0.4
189.00203	0.3
201.05534	0.3
204.10223	0.7
250.06252	0.4
262.14450	0.6
265.08536	0.5
276.12323	4.0
276.15930	1.0
278.05722	0.4
292.07349	0.5
293.09824	2.1
293.18570	41.5
294.19095	1.6
307.09619	0.7
308.06827	0.7
309.07156	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17295	0.4
58.06593	0.5
65.03937	0.5
70.06618	0.5
70.35600	0.9
70.35974	0.8
72.08158	56.6
73.08481	0.6
76.07647	1.4
82.70902	0.4
84.08128	2.6
91.05481	7.5
91.05989	0.7
94.82549	0.4
98.22761	0.5
98.97542	0.4
100.07599	0.6
101.88116	0.4
112.11260	1.8
114.15007	0.4
117.03378	1.4
119.04945	27.9
120.05318	0.7
130.12283	31.3
131.12628	0.5
145.02856	4.6
147.04410	100.0
147.14925	35.7
148.04762	2.4
148.15259	0.8
149.06062	0.6
173.12912	0.7
177.05469	8.5
194.00375	0.4
204.10245	0.5
218.11797	4.9
276.12299	2.1
276.15970	4.2
293.18597	49.0
294.18967	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	293.1861
Annotation	Decanoyl m-Nitroaniline
Peak:m/z	Relative Intensity
51.56293	0.5
54.18843	0.5
56.91347	0.4
59.32626	0.5
59.58796	0.4
60.23742	0.4
65.03938	0.6
70.06615	0.5
72.08157	65.3
73.08482	1.0
76.07646	1.0
84.08135	3.3
87.01565	0.5
89.03936	0.8
90.13517	0.4
91.05488	8.3
100.07605	0.7
101.42906	0.4
112.11254	2.0
117.03381	2.7
119.04943	27.4
121.08733	0.5
130.12283	34.5
131.12607	0.6
145.02853	8.9
146.03117	0.6
147.04408	100.0
147.14926	51.4
148.04724	2.1
149.05974	0.9
171.78825	0.4
173.12877	0.9
177.05475	23.2
178.05817	0.8
218.11742	2.6
222.11293	1.0
230.02924	0.5
276.12271	2.8
276.15915	5.9
293.18585	40.7
294.18878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
58.06598	3.4
60.84139	0.3
63.44679	0.3
65.03936	0.6
72.08157	21.9
73.06570	0.7
73.08443	0.4
84.08139	1.2
91.05481	5.5
93.19457	0.4
100.07655	0.4
100.11279	0.4
102.09184	0.4
109.92518	0.4
112.11235	1.5
117.03372	1.4
119.04945	20.9
130.12277	16.8
132.09154	0.4
143.99814	0.3
145.02846	4.4
147.04405	100.0
147.14919	23.2
148.04736	3.1
149.05922	0.7
153.30276	0.3
172.13362	1.2
173.12856	0.5
177.03940	0.5
177.05478	10.4
204.10193	13.6
205.10547	0.7
218.11760	1.7
276.12341	1.5
276.15936	14.4
277.16275	0.6
293.18576	39.4
294.19022	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01767	0.4
69.07052	0.6
69.26765	2.1
69.55109	0.4
69.55559	0.3
70.44079	0.3
79.05487	0.5
84.08121	0.5
86.09692	1.1
91.05475	0.9
98.97586	0.5
98.98458	0.8
103.05470	1.0
105.07012	1.0
116.98584	0.7
119.04938	1.3
120.05731	0.6
132.05693	2.1
133.02904	0.8
133.06508	1.4
134.49454	0.3
145.02843	1.3
147.04420	1.1
148.05203	5.5
160.05183	1.5
163.06186	0.8
163.07552	15.8
164.07874	0.5
176.04713	1.5
177.05490	3.1
186.08513	0.4
191.07031	100.0
192.07385	2.4
195.40958	0.4
233.12634	0.4
276.15945	0.6
282.86340	0.4
293.13544	0.6
293.18588	13.2
294.16827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03947	3.9
55.01871	4.9
55.05508	22.9
56.03179	2.9
57.07074	8.0
67.05506	32.4
69.07068	37.0
71.30250	3.3
79.05491	18.4
81.03442	4.4
81.07053	32.2
83.04984	8.5
83.08661	7.2
85.06523	5.5
85.39236	3.3
91.05482	13.6
93.07051	30.5
95.04980	10.2
95.08605	32.3
97.06525	5.0
97.10183	5.8
98.23418	11.0
101.06013	3.6
105.07033	22.5
107.04939	5.2
107.08578	19.5
109.06539	8.4
109.10169	17.9
111.08095	3.5
117.07034	7.6
119.08570	19.5
121.06502	7.7
121.10124	11.0
123.08090	12.0
123.11732	8.2
131.08568	11.0
133.07571	3.2
133.10147	17.0
135.00343	4.0
135.08072	12.0
135.11694	9.7
137.09624	9.5
145.10109	6.5
146.25316	3.5
147.11693	12.3
149.09602	6.5
149.13293	5.5
151.11206	18.0
159.11693	7.2
161.53220	3.2
163.11168	4.2
173.09647	4.5
173.13234	5.3
177.05426	11.0
178.06230	6.0
178.72348	3.9
187.11179	5.9
191.14282	5.0
233.11757	7.3
237.11319	5.3
247.20744	4.5
257.19012	13.9
275.20065	100.0
276.20370	6.3
293.21109	99.9
293.30325	4.8
297.24203	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.53885	1.0
53.03949	3.3
55.01873	3.1
55.05513	11.0
57.03437	14.3
57.07076	9.5
59.05007	1.3
64.34849	1.0
65.03946	1.5
67.05153	1.8
67.05506	21.3
69.03445	1.0
69.07056	9.7
69.49561	3.4
71.04994	2.9
71.08630	1.5
77.03919	1.3
78.28155	0.9
79.05490	26.1
80.05798	1.2
81.03416	4.0
81.07057	52.7
82.07379	1.3
83.04993	5.3
83.08622	5.1
85.06559	5.9
91.04934	2.0
91.05480	25.6
93.07048	23.6
95.04958	10.3
95.08608	18.7
97.06544	4.2
97.10171	2.2
98.92389	1.1
99.04469	4.6
99.08089	1.9
105.07030	20.0
107.04959	3.9
107.08601	15.0
109.02917	1.3
109.06519	26.2
109.10146	8.8
111.04427	3.8
111.08114	2.7
117.07031	10.6
119.08586	16.4
120.51949	1.0
121.06524	1.8
121.10146	11.1
123.08092	5.4
123.11712	1.9
125.06028	1.3
125.09633	1.5
129.07004	3.4
130.88403	1.1
131.08557	13.1
133.10143	14.7
135.00450	1.1
135.08066	4.2
135.11700	6.1
137.09590	9.9
139.11189	1.2
143.08580	2.3
145.10117	8.3
147.11652	6.3
149.09607	7.3
149.13297	2.9
151.11224	5.1
153.05466	3.4
157.10085	2.0
159.11697	6.9
161.09534	1.3
161.13277	2.0
163.11176	3.9
163.14812	1.6
165.09192	1.2
173.13257	4.4
175.11223	1.5
175.14825	2.2
177.12694	1.5
179.10585	1.1
181.04944	2.9
181.12320	1.3
185.13278	3.4
191.10680	3.4
191.14218	1.1
193.12308	2.7
195.10159	1.3
201.16379	3.6
203.14340	3.7
205.12283	1.2
209.11714	9.6
209.15257	1.0
217.15956	1.1
219.17441	100.0
220.17801	2.5
221.15424	2.0
229.19638	2.0
237.11188	17.5
239.17975	1.3
247.20583	4.0
257.19061	4.3
275.20074	34.3
293.21109	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	293.2114
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	2.8
55.01871	15.1
55.05253	2.5
55.05512	32.7
57.03466	1.5
57.07078	1.9
65.03934	2.6
67.05507	41.2
69.03432	4.1
69.07069	24.3
70.07718	4.2
71.04989	4.2
71.08631	5.7
79.05495	58.0
81.03429	9.6
81.07061	48.5
83.04988	8.5
83.08624	18.4
85.06542	3.7
91.05482	36.2
91.06057	2.2
93.07047	34.9
93.07601	2.5
95.04968	17.6
95.08613	32.5
97.06541	14.4
97.10166	23.2
98.22742	2.0
98.97646	2.2
99.08088	3.5
101.06025	2.4
105.04556	2.9
105.07039	36.9
107.04365	1.6
107.04945	9.5
107.08595	99.4
109.06548	10.7
109.10172	17.8
111.08066	3.2
116.98614	2.0
117.07028	9.5
119.06081	3.0
119.08599	19.1
121.06499	5.8
121.10133	14.1
123.08084	9.5
123.11694	6.4
125.09624	22.4
129.07002	3.1
131.08569	13.7
133.10123	22.0
135.00407	1.6
135.08069	4.8
135.11688	8.7
137.09630	5.2
137.13281	1.6
139.11128	2.0
143.08588	1.9
145.10130	18.6
147.11693	16.2
149.09630	16.8
149.13237	3.5
151.07559	2.4
151.11200	15.7
153.09106	2.5
155.08566	2.7
157.10129	3.4
159.11696	10.8
161.09625	2.2
161.13246	6.1
163.11140	8.1
165.09142	4.3
165.12740	1.9
169.10088	3.7
171.11678	2.7
173.13290	4.7
175.11263	2.1
177.12769	2.7
179.14383	2.5
181.12282	4.6
183.11688	3.3
187.11209	3.9
189.11258	17.3
189.12775	3.0
195.13800	2.7
197.13304	2.7
223.13258	3.3
229.15970	1.9
229.19551	3.7
233.15129	2.3
239.17932	7.1
247.20680	4.8
257.19070	13.5
275.20081	100.0
276.20624	2.5
293.17456	3.7
293.21091	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01876	6.5
55.05511	14.3
57.03431	13.9
57.07078	45.8
62.32185	1.7
67.05499	17.3
68.99797	2.5
69.03431	3.2
69.07059	8.8
69.77715	3.9
69.78043	1.9
71.04994	3.5
77.03959	1.6
79.05492	22.3
79.07374	1.6
80.94829	2.1
81.03434	4.2
81.07064	22.7
83.04978	9.5
83.08636	8.6
85.02906	2.2
85.06539	3.2
86.82116	1.6
91.05476	21.5
93.07050	31.8
95.04963	17.4
95.08609	17.6
95.09847	1.8
97.06554	5.0
97.10182	4.8
98.22812	2.1
98.97590	2.5
98.98507	2.3
99.04411	1.7
99.08089	3.2
105.07042	25.0
107.04958	7.1
107.08588	21.1
109.02901	5.7
109.06532	8.6
109.10186	7.1
111.04429	18.6
111.08071	3.7
117.07029	8.0
119.08590	17.9
121.06555	3.3
121.10121	9.9
123.08094	4.7
125.06021	7.5
125.09636	4.2
127.07571	2.2
129.06998	3.1
131.08546	10.0
133.10139	12.1
135.04445	4.7
135.11742	5.5
137.05968	1.8
137.09608	1.7
143.08592	4.1
145.02849	4.3
145.10123	11.0
147.11694	10.3
149.09601	11.1
151.11177	2.4
153.05498	16.0
153.08980	2.9
157.10184	3.1
159.11728	10.5
161.13297	5.4
163.03940	7.7
163.11153	12.0
173.13297	2.5
175.07574	2.0
175.11243	2.1
177.05478	10.3
177.09074	3.5
177.12793	1.8
178.06279	3.4
181.04973	21.9
181.12297	5.1
183.11705	2.0
185.13272	10.7
187.11176	2.5
189.11237	2.6
191.10648	26.4
195.10121	9.8
201.16422	3.0
203.14343	8.9
209.11700	55.2
219.10216	8.3
219.17465	18.9
221.15320	11.6
223.13324	5.4
233.11787	6.0
237.11215	100.0
238.11523	2.6
239.18007	2.3
257.18991	12.4
265.17941	2.9
275.20059	53.6
276.20520	2.1
293.17984	5.9
293.21091	18.0
293.27835	3.4
294.17029	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03955	2.7
54.02510	1.6
55.01867	11.4
55.05509	23.3
57.07074	2.1
65.03947	2.2
67.05504	34.1
68.64330	1.5
69.07066	100.0
70.74347	3.3
71.04990	3.4
73.06516	1.6
74.01633	1.7
74.37514	1.7
79.05492	36.7
81.03412	12.8
81.06618	3.1
81.07055	34.6
83.04987	7.9
83.08619	6.0
85.06547	1.6
91.05489	22.8
93.07042	35.9
95.04967	73.8
95.08604	20.0
97.06520	12.6
97.10172	5.3
98.41996	1.7
105.07033	25.6
106.14513	1.7
107.04957	19.1
107.08594	29.0
109.06529	10.6
109.10175	7.8
111.08112	2.6
117.07043	9.6
119.08571	18.6
121.06515	6.7
121.10143	16.4
123.08081	3.4
123.11715	2.0
125.09627	2.0
131.08569	12.2
133.10109	13.8
135.08049	20.3
135.11664	5.4
137.09637	4.2
139.11191	8.5
143.08597	2.5
145.10120	7.8
147.11687	6.7
149.09625	9.7
149.13284	2.6
151.11192	5.2
157.10106	2.8
159.11723	10.9
161.09561	2.5
161.13286	2.3
163.11198	3.0
164.16577	1.8
171.11676	3.2
173.13307	4.7
177.05440	14.4
177.12744	8.8
178.06273	11.9
187.11186	2.3
189.11180	2.2
191.07114	4.1
201.12671	2.6
203.12816	6.5
205.12334	2.0
207.13779	10.4
209.15338	2.0
219.13750	5.9
219.17398	3.9
225.14798	5.6
233.11713	17.6
237.14842	40.1
247.20732	1.9
257.18951	7.0
275.20050	72.7
276.20322	2.9
276.90048	1.7
293.21091	86.1
294.21368	4.8
312.72083	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.11361	1.2
55.01876	4.6
55.05510	18.4
57.03437	5.4
57.07079	2.5
67.05505	20.2
69.03432	1.8
69.07069	28.2
69.44646	4.7
71.05000	3.3
77.03924	2.2
79.05499	54.0
81.03426	2.6
81.07061	28.3
83.04984	6.3
83.08626	4.5
85.06539	2.3
90.49384	1.0
91.05481	26.2
91.57481	1.0
93.07046	39.1
95.04961	7.8
95.08614	23.8
97.06515	7.3
97.10184	3.7
99.08083	1.6
105.07030	28.3
107.04958	51.5
107.08597	25.7
109.06541	3.6
109.10121	6.5
111.04419	1.0
111.08057	1.6
111.11701	1.4
115.05498	2.1
117.07011	8.5
119.08587	21.1
121.06522	1.7
121.10145	22.3
123.08094	2.8
123.11661	1.0
125.09616	1.3
129.07066	1.1
131.08566	10.8
133.10130	21.3
135.08051	44.2
135.11734	3.0
137.09676	2.4
139.11166	8.5
143.08595	1.6
145.10097	7.7
147.11685	12.8
149.09637	6.8
151.11159	3.0
157.10176	2.2
159.11710	5.1
161.09576	2.2
161.13301	2.3
163.11211	2.2
171.11757	1.7
173.13321	2.7
177.12790	2.0
183.11703	1.7
183.13799	3.4
191.14363	1.8
201.14862	1.7
203.12738	9.3
207.13736	1.5
209.11655	1.4
215.17886	1.2
219.13863	1.7
219.17511	2.5
237.11113	1.6
239.17987	1.7
247.20638	3.7
248.23634	1.2
257.19058	7.1
275.20068	100.0
276.20474	4.4
293.21146	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.00220	1.7
52.20216	1.7
52.22245	1.9
53.03941	6.0
54.04950	1.9
54.75080	2.0
55.01875	14.3
55.05513	85.8
55.05782	4.3
57.03433	12.1
57.07067	6.1
59.05014	2.6
61.07685	1.5
65.03944	7.2
67.05506	100.0
69.03442	9.9
69.07069	51.6
69.43634	7.8
71.04995	10.5
77.03945	2.9
79.05498	88.6
81.03418	16.5
81.07059	88.7
83.04987	14.0
83.08625	40.0
83.51281	1.8
85.06529	9.8
91.05483	64.3
93.07049	74.0
94.07388	2.1
95.04967	53.2
95.08015	3.9
95.08609	63.4
97.06549	14.7
97.10172	23.3
98.23463	3.8
99.08113	2.9
105.04481	3.1
105.07031	53.2
105.07734	3.0
107.04928	10.6
107.08598	79.6
108.08918	2.7
109.06524	22.1
109.10158	35.1
111.08078	7.3
111.11691	2.8
117.07020	18.6
119.05962	1.7
119.08591	43.1
120.48327	1.8
121.06521	6.9
121.10155	37.5
123.08061	11.7
123.11716	7.9
125.09630	19.5
126.85625	1.9
129.07007	7.1
131.08559	23.9
133.10138	37.5
135.08086	10.6
135.11728	11.6
137.05980	6.0
137.09621	47.9
139.11172	13.8
143.08591	3.2
145.10124	20.1
147.04468	2.0
147.08078	3.6
147.11705	19.9
149.09625	17.1
149.13248	3.9
151.11157	10.4
153.09119	3.3
155.08604	3.2
155.10681	3.5
156.43867	1.6
157.10132	4.8
159.11682	14.0
161.09657	3.4
161.13251	6.8
163.11177	14.5
165.09116	2.1
165.12778	3.6
167.10658	3.0
169.10164	2.3
171.11638	5.0
173.13251	7.6
175.11189	3.2
177.12790	4.6
179.10728	2.4
183.11655	4.7
185.13403	1.8
187.11191	2.8
187.14745	3.7
189.11253	12.7
189.12724	2.9
193.12183	3.0
195.13875	2.3
197.13261	3.1
199.14836	2.7
201.12846	2.3
203.12764	6.3
205.12166	3.1
205.15855	2.4
211.13211	3.1
215.14308	2.1
219.17439	5.3
223.13351	13.1
229.19579	4.8
233.15404	3.9
235.17007	3.1
239.17973	5.9
245.44373	2.0
246.85771	1.7
247.20549	5.2
257.18997	12.2
275.20090	89.6
276.20422	5.1
293.21091	75.4
294.21497	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	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03946	4.0
53.27509	1.7
53.65465	1.7
55.01866	11.6
55.05296	2.6
55.05516	31.5
55.49482	1.8
57.03445	15.1
57.07083	9.7
65.03946	3.1
67.05510	66.5
69.03425	4.9
69.07072	34.4
69.50270	2.0
70.11320	4.7
71.05002	11.4
71.08651	3.9
77.03948	2.3
79.05501	61.4
81.03416	8.8
81.07063	86.6
82.07409	2.3
82.94646	2.1
83.04977	9.8
83.08627	17.7
85.06544	9.1
91.04939	3.6
91.05488	55.1
93.07050	59.4
95.04980	34.4
95.08613	44.8
95.63780	2.2
97.06532	15.8
97.10159	6.0
98.97591	2.6
99.08097	5.8
105.04517	3.1
105.07037	53.1
107.04971	13.9
107.08597	35.0
109.06523	26.8
109.10149	19.6
111.08087	8.8
117.07021	17.3
119.08582	44.8
119.35236	1.9
121.06522	5.8
121.10148	29.2
122.03661	5.8
123.08086	18.6
123.11723	10.3
125.09643	5.9
128.06255	1.8
129.07011	5.4
131.08578	28.0
133.10123	30.6
135.08044	10.1
135.11723	9.1
137.04936	3.8
137.05989	75.6
137.09615	25.9
139.11215	3.1
141.06947	2.4
141.09164	2.1
141.12724	2.2
143.08588	5.1
145.06505	14.9
145.10135	16.4
147.07979	3.2
147.11687	25.3
149.09627	22.8
149.13234	2.9
151.11183	14.6
157.10133	6.0
159.11678	14.3
161.09676	3.5
161.13246	10.9
163.11200	11.2
165.12790	5.5
169.68951	2.2
171.11710	6.1
173.13232	12.3
175.11194	3.7
175.14784	2.5
177.12724	8.0
181.12228	2.0
183.11639	4.9
185.13252	10.2
187.14716	3.3
191.10669	2.3
191.14256	2.4
195.13873	2.7
201.12811	3.3
201.16365	3.8
203.12683	2.6
203.14362	6.0
205.12218	2.8
205.15887	4.2
209.11723	2.3
219.17412	19.0
221.15443	10.7
223.13316	3.2
229.19597	4.7
233.11768	3.5
237.14941	2.3
239.17978	7.7
247.20555	6.6
257.19009	18.2
275.20087	100.0
276.20334	3.3
293.21106	65.7
294.16995	2.7
294.21146	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	293.2114
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.24229	2.7
53.03937	4.9
55.01616	4.5
55.01875	59.2
55.05513	55.0
57.03440	5.5
57.07063	13.0
65.03934	2.6
67.05513	44.9
69.03421	4.7
69.07072	42.7
69.20057	16.8
71.04997	5.3
71.08631	8.8
73.06570	3.4
79.05492	49.8
80.94830	3.7
81.03412	6.8
81.07061	60.4
83.04974	10.7
83.05457	2.6
83.08641	13.8
85.06562	3.0
91.05481	33.7
93.07050	36.8
95.04968	40.5
95.08605	44.4
97.02874	3.8
97.06524	11.4
97.10155	15.1
98.68277	2.6
98.97586	4.0
99.08078	9.6
105.07034	33.6
107.04964	21.8
107.08609	39.1
109.06530	19.8
109.10159	20.9
111.08108	7.3
117.06998	18.9
119.08586	31.6
119.10207	2.3
121.06511	14.4
121.10141	22.3
123.08088	9.2
123.11701	7.4
124.90529	2.8
125.08704	4.1
125.09640	77.5
129.06995	5.9
130.49712	2.9
131.08560	19.5
133.06538	3.5
133.10136	24.8
135.08057	19.5
135.11696	11.3
137.09644	7.4
139.11205	3.2
141.07127	3.0
143.08556	4.4
145.10123	16.6
147.08038	4.2
147.11685	17.9
149.09599	11.1
149.13287	4.9
151.11182	16.2
155.08513	3.1
159.11707	21.3
161.09624	6.5
161.13281	7.8
163.11157	18.8
165.09023	2.9
165.12770	4.8
167.10660	6.4
169.10101	5.1
171.11688	3.6
173.13307	4.2
175.14882	4.5
177.12759	16.7
179.10635	4.7
181.12199	4.7
183.11644	5.5
191.10683	3.9
191.14317	7.9
207.13892	4.6
208.79518	3.3
209.11736	9.8
215.17960	3.3
216.17436	3.0
229.19513	14.3
237.11148	5.0
238.88925	4.4
239.17894	6.8
247.20641	16.1
257.19046	52.2
261.38184	2.9
275.20050	100.0
276.20386	6.3
293.21133	46.1
294.17242	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.11623	1.1
53.03944	3.5
54.00209	1.1
55.01872	11.0
55.05506	15.5
57.03432	1.7
57.07073	31.9
65.03950	2.1
66.59518	1.2
67.05503	22.9
68.99800	2.1
69.03419	3.1
69.07067	77.3
70.26794	1.5
70.27112	2.1
71.01348	2.1
71.04990	4.4
79.05493	27.4
79.44906	1.2
81.03419	12.3
81.07059	27.9
83.04977	13.2
83.08612	5.8
85.02903	2.2
85.06540	3.6
85.43956	1.3
91.05476	18.1
93.07037	26.4
95.04967	54.8
95.08607	17.9
97.06535	10.5
97.10204	3.1
98.22716	1.2
99.08112	1.5
101.06010	1.6
104.34331	1.4
105.07033	15.8
107.04958	19.0
107.08579	14.1
109.02870	4.7
109.06525	7.2
109.10178	6.2
111.04440	18.5
111.08078	5.6
115.05422	1.5
117.07005	5.3
119.08579	14.0
121.06488	7.4
121.10133	16.5
123.08070	8.2
123.11704	1.7
125.02340	1.4
125.06023	6.0
125.09634	2.9
127.07559	1.9
129.05478	1.4
129.07018	1.7
131.08568	9.4
133.10121	12.5
135.04401	6.2
135.08038	16.5
135.11700	6.3
137.05981	1.3
137.09615	4.3
139.03937	2.4
139.07571	3.0
139.11172	6.2
143.08553	2.5
145.10132	7.7
147.11696	3.8
149.09627	7.4
149.13254	2.2
151.07553	1.2
151.11188	5.5
153.05475	16.1
153.06699	1.9
157.10095	2.0
159.08000	1.5
159.11671	5.2
161.13252	1.8
163.03914	5.6
163.11189	8.2
163.14920	1.6
165.09111	1.5
166.35435	1.2
171.11728	2.0
173.13249	3.3
175.07593	2.8
177.05496	1.6
177.09140	3.2
177.12746	7.2
181.04938	21.5
181.12256	7.5
183.11746	1.4
187.11066	1.9
191.10666	24.2
191.14354	2.1
195.10225	9.0
201.12759	2.3
203.12843	6.0
207.13794	7.7
209.11719	54.0
210.12021	1.8
217.63626	1.4
219.10147	8.8
219.13847	2.9
225.14899	4.5
229.19379	1.4
233.11711	1.5
237.11211	100.0
237.14801	29.0
238.11536	4.3
238.89090	1.5
239.17928	1.8
247.20508	2.0
257.19086	4.3
265.18085	4.5
275.20050	44.5
276.20456	1.9
293.17621	3.7
293.21121	85.3
294.21518	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03942	4.3
55.01873	31.9
55.05513	71.5
57.03436	4.8
57.07069	4.0
59.05009	2.5
67.05157	3.4
67.05505	53.0
69.03425	5.6
69.07075	19.3
70.73746	2.4
71.04987	5.2
71.08637	1.8
75.49905	1.5
77.03925	3.4
79.05493	100.0
81.03414	5.7
81.07055	44.9
83.04980	26.5
83.08618	24.5
85.06511	2.2
91.05479	39.7
93.07050	57.5
94.07379	2.5
95.04961	18.0
95.08607	21.6
97.06526	12.0
97.10172	27.6
99.08090	2.2
105.04505	2.7
105.07028	39.8
106.39525	1.8
107.04958	50.7
107.08590	65.4
109.06519	8.8
109.10151	20.1
111.04427	2.6
111.08086	7.6
117.07028	15.0
119.06107	1.7
119.08577	27.0
121.06511	5.1
121.10145	23.0
123.08098	4.9
123.11712	8.9
125.09635	48.0
127.75912	1.6
129.07065	2.2
131.08572	17.6
133.06563	1.7
133.10138	22.1
135.08063	14.3
135.11705	5.6
137.09628	5.0
143.08546	3.3
143.10582	2.3
145.10144	13.1
147.11661	16.2
149.09616	86.2
149.13271	1.8
150.09923	2.2
151.11209	6.7
153.09187	5.5
155.08611	2.4
157.10103	2.9
159.11705	9.8
161.13269	7.4
163.11194	7.7
163.14795	4.8
167.10709	3.0
169.10190	3.5
169.12204	5.3
171.10182	5.6
171.11742	4.6
173.11775	1.9
173.13255	6.2
177.12772	7.1
179.14330	2.6
181.12199	2.2
187.11276	2.9
187.13266	3.9
187.14830	2.1
188.30551	1.7
189.11208	19.9
191.10756	1.7
191.14371	4.9
205.12227	1.8
205.15906	2.1
209.11758	5.7
209.15280	8.4
215.17892	3.4
224.89604	1.6
229.19473	8.7
233.15358	2.4
237.11275	4.4
239.17886	3.7
247.20570	5.4
257.19031	20.8
275.20062	97.2
276.20395	4.9
293.21118	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03939	2.7
55.01878	7.5
55.05264	1.6
55.05513	25.8
57.03435	2.2
57.07079	2.5
65.03928	1.6
67.05505	28.5
69.03426	2.6
69.06705	2.1
69.07066	27.7
70.07877	1.9
70.08202	1.4
71.04993	3.0
76.12491	1.0
79.05489	57.2
79.05950	2.8
81.03419	5.1
81.06565	1.5
81.07054	30.0
83.04984	8.8
83.08607	6.2
85.06535	2.8
91.05473	27.6
93.07045	46.5
95.04971	14.1
95.08608	19.6
97.06510	5.9
97.10165	7.7
98.22781	1.3
99.08077	1.5
105.07029	28.6
107.04956	40.6
107.08598	30.0
107.09333	1.6
109.06524	3.9
109.10162	10.9
111.08064	1.9
117.07030	7.4
119.08572	24.0
121.06554	2.6
121.10146	20.1
123.08070	2.2
123.11652	1.5
125.09607	4.6
129.06996	2.5
131.08572	9.0
133.10129	24.2
135.08054	27.6
135.11667	2.6
137.09587	2.4
139.11145	3.8
141.07027	1.4
145.10130	9.3
147.11671	12.5
149.09631	12.1
151.11172	13.0
157.10193	1.6
159.11714	6.2
161.13240	3.9
163.11157	2.7
165.12827	1.1
169.10135	1.5
171.11646	1.6
173.09639	2.2
173.13255	5.2
177.12758	2.1
178.43155	1.2
181.12236	1.6
189.11241	1.7
191.10818	1.2
191.14368	1.5
197.13261	2.1
203.12756	4.1
207.13855	2.1
209.11801	1.3
219.13913	1.7
225.48926	1.3
229.19458	2.5
233.15283	1.3
237.11197	3.5
237.14847	1.6
239.17902	3.2
247.20541	4.1
257.18970	6.7
275.20059	100.0
276.20383	4.6
293.21161	17.4
294.21512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.52798	0.7
53.03908	3.2
55.01871	8.9
55.05511	22.2
55.05748	1.2
56.79465	0.7
57.03400	2.7
57.07042	1.4
59.04959	0.8
65.03898	1.9
66.02065	0.7
67.05506	35.5
67.05853	1.6
69.03377	2.4
69.07071	21.3
70.52832	1.3
71.04995	4.0
74.45377	0.7
76.31404	0.8
77.03891	0.8
78.50186	0.7
79.05496	38.6
81.03422	7.4
81.07061	51.5
81.07507	1.8
83.04982	5.7
83.08620	13.2
85.06496	2.8
91.05482	31.2
93.07046	28.4
95.04971	11.3
95.08608	26.0
95.57437	0.7
97.06535	13.0
97.09621	0.9
97.10164	10.5
98.22807	0.9
99.08062	0.8
100.20086	0.8
101.05947	0.9
105.04510	1.2
105.07034	30.8
107.04970	8.2
107.08598	41.8
109.05877	0.9
109.06521	12.8
109.10159	13.8
111.04382	1.0
111.08039	3.1
115.05472	0.8
117.06274	0.8
117.07030	8.0
119.06075	0.8
119.07779	1.4
119.08588	21.7
119.33278	0.6
120.08932	0.9
121.06563	4.8
121.10149	14.7
123.08056	6.5
123.11711	5.3
125.09649	10.2
129.06955	2.4
131.08572	12.7
133.06444	1.6
133.10129	22.9
135.08020	4.9
135.11685	6.7
137.09622	6.9
139.11143	2.0
141.07002	1.2
143.08511	2.9
145.06488	1.6
145.10120	13.1
147.08119	1.4
147.11679	15.1
149.09619	14.6
149.13228	3.5
151.11188	6.5
153.09071	1.2
153.12761	0.8
155.08563	1.6
157.10103	3.2
159.08124	0.9
159.11678	8.4
161.09587	1.2
161.13252	5.3
163.11147	8.8
165.09120	5.3
165.12775	3.4
169.10075	2.3
171.11656	2.2
173.09645	1.5
173.11938	1.1
173.13275	6.3
175.11174	2.7
175.14806	1.0
177.12762	3.7
179.14287	1.4
181.12137	1.6
183.11641	2.2
187.11240	3.3
187.14731	1.3
189.11179	6.6
189.12738	1.6
191.10632	0.9
191.14333	1.7
193.12120	2.1
195.13782	1.2
197.13338	2.1
199.14807	1.0
201.12697	1.6
207.13754	0.9
213.16400	1.3
215.14297	1.5
215.18007	1.5
216.84760	0.7
219.13695	0.9
223.13350	1.3
229.19545	4.8
233.15421	1.0
239.17975	6.9
247.20575	4.6
247.90341	0.8
257.19000	14.0
258.19876	0.7
275.20065	100.0
276.20502	4.6
293.21106	28.8
294.21487	1.5
300.43826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03954	6.7
55.01870	21.1
55.05510	27.4
57.03432	1.9
57.07064	1.9
59.04993	1.4
61.17755	1.2
62.54486	1.2
65.03931	2.9
67.05157	2.0
67.05505	33.2
69.03419	4.4
69.06709	2.4
69.07069	33.7
69.82261	3.5
70.95427	1.1
71.04990	3.9
71.08633	1.3
79.05491	47.8
80.05810	1.2
81.03420	8.9
81.07056	42.1
82.07375	1.8
83.04980	7.0
83.08622	15.5
85.06575	1.8
88.18971	0.9
91.05479	32.0
92.05839	1.5
93.07043	34.8
94.07362	2.0
95.04962	12.5
95.08605	27.0
97.06532	24.5
97.10168	18.1
98.97571	1.9
99.08086	2.3
101.06017	1.5
103.05532	0.9
105.04539	1.6
105.07030	38.6
106.07346	2.0
107.04948	14.7
107.08594	88.7
108.08950	2.6
109.06525	12.3
109.10159	12.4
111.08079	3.2
113.29654	1.2
116.98583	1.3
117.07033	8.0
119.06068	2.1
119.08565	21.2
120.08868	1.7
121.06490	6.0
121.10137	17.4
123.04437	1.3
123.08052	6.9
123.11719	3.4
123.32861	1.2
125.09625	15.4
128.06229	1.3
129.06999	2.4
131.08583	10.9
132.62347	1.1
133.05656	1.2
133.10133	19.6
135.08035	5.6
135.11676	9.7
137.09622	4.7
137.13234	1.2
139.11169	2.4
141.06963	2.2
143.08580	3.0
145.06477	2.1
145.10144	12.5
146.10481	1.1
147.08022	1.8
147.11685	16.4
148.55902	1.0
149.09616	25.4
149.13243	3.8
151.11195	10.7
153.09122	1.5
157.10123	2.6
159.11696	11.9
161.13234	6.9
163.11168	10.4
165.09157	6.1
167.10678	1.2
169.10092	3.5
171.10269	1.2
171.11734	3.1
173.13249	6.3
175.11151	2.9
175.14839	1.1
177.12735	4.6
179.14346	2.6
181.12206	2.2
183.11652	2.0
187.11215	4.7
187.14839	1.8
189.11205	13.6
189.12672	1.6
195.13786	1.8
197.13261	1.6
201.09827	1.2
203.12831	2.3
205.12250	2.4
207.13683	1.2
219.13779	1.8
229.19514	4.1
233.18951	1.7
239.17943	3.1
247.20598	5.2
257.18982	14.0
275.20053	100.0
276.20401	3.7
293.21036	24.7
293.27722	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.08940	0.8
53.03939	1.2
55.01861	5.3
55.05512	15.3
57.03439	3.6
57.07076	3.2
59.26777	0.7
65.03936	1.0
67.05504	17.6
69.03426	2.2
69.07066	30.1
69.85339	2.5
70.07389	0.9
71.04990	3.9
71.08649	0.7
73.06557	1.0
77.03926	0.9
79.05493	47.5
81.03417	3.1
81.07055	22.5
81.07500	1.5
82.07405	0.9
83.04976	6.2
83.08623	4.9
85.06550	3.4
91.05478	21.8
93.07045	42.0
94.07388	1.2
95.04979	7.9
95.08607	17.8
97.06532	6.8
97.10171	4.2
101.06039	1.7
105.04571	0.9
105.07027	24.2
106.02785	0.9
107.04955	53.1
107.08596	25.9
107.09328	1.0
109.06517	2.8
109.10165	5.4
111.04510	0.8
111.08070	1.2
116.98648	1.0
117.06995	6.3
119.08572	21.7
121.06515	2.5
121.10149	18.6
121.10947	0.7
123.08072	3.2
123.11713	1.7
125.09676	1.0
129.06998	1.0
131.08554	9.8
133.10121	21.4
135.08054	38.9
135.11685	2.7
137.09615	1.9
139.11169	7.4
141.06960	0.8
143.08609	1.5
144.47650	0.7
145.10150	8.0
147.11676	9.9
149.09618	6.5
149.13246	1.1
151.11205	3.0
153.05464	1.5
155.08670	0.8
157.10188	1.9
159.11699	5.5
161.13316	2.8
163.11198	2.9
167.10672	1.3
168.35805	1.0
169.10207	1.2
171.11641	1.4
173.13252	3.8
177.05505	1.4
177.12689	1.6
181.04944	1.5
181.12325	1.2
183.11758	1.7
183.13838	2.9
185.11758	1.1
187.13342	2.9
187.14798	1.0
189.11282	1.0
189.12804	1.3
191.10710	2.0
191.14308	1.7
197.13289	1.2
201.14967	0.9
203.12756	6.7
207.13908	1.1
209.11784	3.2
211.14853	1.0
215.14334	1.1
219.13869	4.5
219.17450	2.2
229.19519	2.0
237.11237	5.6
237.14856	1.6
239.17986	2.6
240.45998	0.9
247.20578	4.6
257.19016	7.2
275.20062	100.0
276.20465	5.2
293.21133	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	293.2113
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
53.03949	0.2
55.01865	0.6
55.05298	0.2
55.05517	2.4
57.07063	0.7
65.03916	0.2
67.05509	2.5
69.03415	0.4
69.07072	1.8
70.64294	0.4
71.04992	0.3
71.08633	1.3
79.05501	2.5
81.03426	0.8
81.07063	3.0
83.05013	0.4
83.08619	1.0
87.40247	0.2
91.05484	1.3
93.07049	1.9
95.04971	4.1
95.08612	1.6
97.06525	0.5
97.10166	0.6
99.08099	1.2
105.07047	1.0
105.07632	0.2
107.04955	2.7
107.08606	1.4
108.05732	1.7
109.06525	2.1
109.10175	0.4
111.04471	0.2
111.08111	0.2
117.07029	0.8
119.08559	0.6
121.06512	6.3
121.10158	0.9
123.08076	0.7
123.11726	0.2
125.09616	0.4
131.08585	0.6
133.10141	0.4
135.08090	0.8
135.11684	0.2
135.17493	0.2
137.09639	0.2
145.10110	0.5
147.11705	0.3
149.09601	0.4
149.13312	0.2
151.11189	2.4
157.45715	0.2
159.08055	0.2
159.11710	0.5
163.11154	0.4
164.11990	1.4
164.45183	0.2
165.12761	1.3
173.13235	0.3
177.12778	1.6
181.05008	0.2
191.10645	0.3
191.14375	0.2
209.11751	0.5
219.13774	0.3
223.13373	0.3
237.11188	0.8
237.14891	1.0
275.20114	1.2
293.21109	100.0
294.21481	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03936	2.3
55.01876	59.4
55.05256	2.8
55.05513	44.9
55.39392	1.7
57.03435	5.1
57.07080	12.6
61.03495	1.5
65.03934	2.5
67.05160	3.0
67.05509	50.7
68.82748	1.7
68.99789	2.0
69.03423	3.7
69.07071	44.9
70.07401	1.6
71.04990	4.7
71.08276	1.7
71.08627	9.2
77.81660	2.0
79.05501	36.3
81.03429	13.1
81.07061	64.1
83.04983	11.6
83.08614	10.7
85.02895	2.4
85.06547	3.6
91.05481	34.1
93.07054	41.1
95.04974	46.5
95.08610	31.9
97.02878	6.2
97.06522	10.8
97.10168	10.5
99.08102	8.4
99.49104	1.9
105.07046	16.5
107.04957	25.2
107.08595	22.4
109.06529	20.6
109.10170	12.8
111.04449	8.8
111.08096	5.0
117.07038	10.7
119.08580	16.4
121.06521	12.2
121.10152	19.6
123.04408	2.6
123.08090	13.9
125.05936	3.2
125.09636	58.8
125.48363	1.8
127.11211	4.5
129.06998	3.4
131.08548	15.9
133.10146	11.7
135.08058	23.1
135.11708	6.4
137.09647	17.4
139.07486	1.7
139.11180	4.7
141.09061	4.3
143.08545	2.7
145.06499	2.1
145.10120	8.9
147.08057	3.0
147.11708	6.1
149.09651	8.2
149.13289	3.5
151.11189	41.7
153.09140	5.3
153.12784	3.0
155.08684	2.0
159.08058	2.8
159.11742	8.1
161.09641	5.9
161.13315	2.4
163.07530	1.7
163.11165	6.8
163.14804	3.2
165.09145	2.1
165.12743	4.2
167.10680	12.9
169.10135	4.0
173.09625	4.0
173.13278	5.4
175.14925	1.5
177.05493	2.3
177.12749	24.0
179.14325	2.6
181.12238	11.3
183.11542	2.0
187.11198	3.4
191.10677	4.3
191.14330	16.7
193.12462	2.6
195.13847	5.2
201.12801	4.5
207.13951	1.8
209.11729	8.0
209.15323	3.0
219.13864	2.1
219.17409	2.7
224.43228	2.0
229.19556	6.4
237.11330	11.9
237.14879	4.2
239.17908	3.3
247.20631	10.4
250.34027	1.9
257.18994	17.5
265.21701	3.3
271.97760	1.7
275.20081	68.3
276.20267	3.2
293.21127	100.0
294.17471	2.2
294.21457	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	293.2112
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03940	4.9
55.01862	6.0
55.05508	33.0
56.05033	4.1
57.03440	17.2
57.03660	2.7
57.07075	5.4
65.03919	3.3
67.05516	44.1
69.03431	5.8
69.07073	23.3
71.04984	8.1
71.08620	4.9
71.46307	2.7
75.65483	2.9
79.05495	66.8
81.03420	5.1
81.07063	55.7
83.04982	7.1
83.08628	22.1
83.68839	2.7
85.02926	3.7
85.06551	9.4
88.07645	5.9
89.07919	3.4
91.05479	58.9
93.07047	69.4
95.04959	25.4
95.08621	52.7
97.06532	8.9
97.10172	15.8
99.08079	7.2
101.05988	5.3
105.07034	54.7
107.04945	11.0
107.08595	85.1
109.06517	14.4
109.10153	14.7
111.08086	4.0
116.98621	5.0
117.07024	17.3
119.08585	49.6
121.06525	6.8
121.10128	19.5
123.08080	7.4
123.11713	4.4
125.09684	14.8
127.07446	3.2
129.07021	8.0
131.08577	26.3
133.10143	29.0
135.08046	6.5
135.11734	10.3
137.09616	6.4
139.11159	3.9
143.08578	8.9
143.80461	3.4
145.10117	24.3
147.08067	5.3
147.11679	19.6
149.09645	14.2
149.13295	3.0
151.11218	19.9
155.10666	4.0
157.10155	7.1
159.11743	19.4
160.49411	3.0
161.09627	4.9
161.13254	11.6
163.11176	8.6
171.11690	4.8
173.09608	3.0
173.13286	5.8
175.14825	3.5
177.12714	6.8
185.13243	18.1
187.14767	4.1
189.11183	9.8
197.13239	4.2
201.16422	6.3
203.14343	9.9
205.15875	8.0
219.17471	12.1
221.15408	16.8
229.19458	5.6
239.17941	8.3
243.25171	5.1
244.25499	4.2
245.25684	10.0
247.20428	3.9
257.19131	25.3
275.17038	5.0
275.20084	100.0
276.20367	5.5
292.27518	13.0
293.21115	93.3
293.27716	38.9
294.17038	6.6
294.21390	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	293.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.2
55.01858	0.7
55.05511	2.3
57.03430	0.4
57.07075	0.9
57.34290	0.2
65.03930	0.3
67.05505	3.7
69.03426	0.2
69.07075	1.7
69.32644	0.8
69.47025	0.2
71.04974	0.2
71.08630	1.8
79.05494	3.0
81.03419	0.8
81.07054	3.7
82.07374	0.2
83.04977	0.6
83.08614	1.0
85.06528	0.3
89.68474	0.2
91.05485	2.0
93.07038	2.4
95.04969	4.3
95.08605	2.2
97.06516	0.7
97.10168	1.0
99.08109	1.3
105.04511	0.2
105.07033	1.7
106.35257	0.1
107.04964	2.6
107.08582	1.4
108.05728	1.3
109.06523	1.9
109.10160	0.9
111.08049	0.3
117.07021	0.5
119.08610	0.9
121.06506	6.8
121.10112	0.7
122.07272	0.3
123.08061	0.3
123.11705	0.3
125.09602	0.5
131.08574	0.8
133.10118	0.6
135.08069	1.2
135.11684	0.4
137.09608	0.3
145.10132	0.6
147.11667	0.3
149.09602	0.7
151.11194	2.4
157.10100	0.1
158.07079	0.2
159.11716	0.4
161.13290	0.2
163.11200	0.4
164.11954	0.6
165.12747	3.5
177.12698	1.1
181.04930	0.2
191.10683	0.3
191.14334	0.2
205.15799	0.8
209.11684	0.6
223.13309	0.5
236.14011	0.3
237.11169	0.7
237.14862	0.6
247.20464	0.2
261.18515	0.2
275.20087	1.3
293.21091	100.0
294.21466	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	293.2112
Annotation	2-[4-Methyl-2-(2-methylpropoxy)phenyl]-2-[(2-methylpropoxy)methyl]-oxirane
Peak:m/z	Relative Intensity
50.75643	0.2
53.03945	0.2
55.01873	0.7
55.05513	2.2
57.03421	0.3
57.07076	0.9
65.03939	0.1
67.05507	3.6
69.03419	0.2
69.07069	1.4
69.33225	0.6
71.04984	0.3
71.08633	1.9
71.47578	0.1
79.05048	0.2
79.05494	2.8
79.80425	0.2
81.03419	0.9
81.07058	3.7
82.07362	0.2
83.04977	0.7
83.08624	1.0
85.02861	0.2
85.06536	0.4
91.05481	1.7
93.06511	0.2
93.07040	2.1
95.04968	4.0
95.08607	2.7
97.06528	0.7
97.10170	0.9
99.08100	1.0
105.07027	1.5
107.04950	2.3
107.08584	1.2
108.05737	1.8
109.06503	1.6
109.10165	0.8
111.04437	0.2
111.08074	0.3
117.07023	0.6
119.06177	0.2
119.07108	0.1
119.08562	1.1
121.06500	5.6
121.10139	1.2
122.07288	0.2
123.08069	0.4
123.11703	0.2
125.09612	0.6
131.08583	0.6
133.06468	0.2
133.10092	0.4
135.08054	1.3
135.11673	0.3
137.09607	0.6
139.11171	0.2
143.08530	0.2
145.10124	0.5
147.08061	0.2
147.11694	0.3
149.09637	0.8
149.13206	0.2
151.11169	2.3
153.05347	0.2
159.11705	0.4
161.09502	0.1
161.13231	0.2
161.40388	0.1
163.11174	0.4
164.11958	0.6
165.12756	3.2
166.13043	0.2
171.11679	0.2
173.13213	0.2
177.12773	0.8
189.11192	0.2
189.12877	0.1
191.14383	0.4
193.12242	0.1
205.15874	0.8
209.11763	0.4
217.19020	0.1
223.13332	0.5
236.14163	0.2
237.11266	0.8
237.14877	0.6
247.20493	0.2
261.18512	0.2
275.20038	1.4
293.21094	100.0
294.16876	0.2
294.17380	0.2
294.21423	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2113
Annotation	17beta-Hydroxy-2-oxa-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
53.03957	7.0
55.05515	24.5
57.03441	7.2
57.07076	7.9
67.05507	25.1
67.33052	6.1
69.03436	7.1
69.07078	36.7
70.06598	10.9
71.04993	8.3
79.05492	32.6
79.46159	5.5
81.03406	7.3
81.07069	63.8
83.08620	17.7
84.08142	5.8
85.02922	14.1
85.06534	6.2
88.07642	11.1
91.05487	26.2
93.07030	43.0
95.04966	10.8
95.08606	72.1
97.06506	8.8
97.10191	5.7
99.08108	6.6
103.09563	6.4
105.07040	54.8
107.04963	11.1
107.08598	67.8
109.06523	22.2
109.10152	33.0
117.06953	9.8
119.08572	59.0
121.06522	38.6
121.10138	62.9
123.08051	12.4
123.11686	13.6
129.07076	6.0
131.08559	38.6
133.10152	45.9
134.10522	6.0
135.08057	21.2
135.11714	22.2
137.09706	8.7
137.13283	5.6
139.11176	7.2
142.07758	6.8
143.08571	14.1
145.02840	9.4
145.10129	47.7
147.04387	6.2
147.08076	47.1
147.11707	21.6
148.85641	5.1
149.09615	16.9
149.13264	9.6
151.11153	10.9
153.05502	6.4
153.09103	7.6
155.08534	5.8
156.09338	13.2
157.10112	49.7
158.10735	6.3
159.11711	61.8
160.11220	8.9
161.09630	52.9
161.11639	13.2
161.13243	18.6
168.09338	6.2
169.10120	16.9
171.11693	34.3
173.09659	8.4
173.13252	55.9
175.11171	18.4
175.14792	28.6
177.05414	29.8
177.80925	5.8
183.11697	22.6
185.13280	14.1
187.11111	13.0
187.14828	20.6
189.12770	72.2
189.16476	8.7
197.13304	11.0
199.14908	14.5
201.12689	11.7
213.16438	5.9
215.14291	11.1
215.17932	82.1
227.17969	70.9
229.19531	100.0
229.23346	7.0
230.23763	7.5
239.17932	20.3
245.18990	57.0
257.18961	95.6
275.20065	88.4
276.12347	8.9
292.27435	16.7
293.13968	6.2
293.17828	11.5
293.21051	68.4
293.27774	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2475
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03939	0.9
55.01867	1.3
55.05512	8.0
57.07076	2.6
65.03936	2.5
67.05502	93.3
68.05845	1.5
69.07062	11.0
71.04980	1.1
71.23460	0.7
73.06548	1.0
79.05488	14.6
81.07053	100.0
82.07402	2.0
83.04976	1.5
83.08608	5.9
85.06545	3.1
91.05484	6.2
93.07043	14.6
95.04955	2.7
95.08604	74.9
96.08927	1.4
97.06522	1.7
97.10160	2.0
99.08082	1.5
101.05963	0.9
105.07030	5.0
107.08583	8.8
109.06470	1.5
109.10151	31.0
111.08051	1.0
111.11694	0.8
115.07594	0.7
117.07034	1.3
119.08578	4.7
121.10137	8.7
123.08104	1.5
123.11708	17.9
125.09628	0.8
131.08560	6.6
133.10110	3.6
135.08035	1.8
135.11685	7.2
137.09581	2.8
137.13254	9.7
145.10110	5.2
147.11673	3.1
149.09612	1.9
149.13280	4.4
151.11163	4.6
151.14807	3.1
153.05440	0.8
153.12672	1.0
155.10643	0.9
158.69582	0.6
159.11696	4.8
161.13252	2.9
163.11157	2.5
163.14777	2.9
165.12720	1.8
173.13226	5.6
175.14774	1.2
177.12689	3.8
177.16342	2.5
179.14342	1.9
187.14772	3.2
191.14262	2.3
201.16336	1.2
205.15906	1.0
209.11717	1.5
209.15350	1.1
211.16985	0.7
217.19551	0.9
219.21022	0.7
221.15292	0.6
223.16971	1.6
233.22652	1.0
237.11150	2.2
237.18462	1.2
243.21069	6.2
243.91284	0.6
261.22141	8.0
262.22330	0.7
275.20047	1.6
293.21021	6.1
293.24634	16.9
294.16937	1.2
294.20346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.11238	0.4
57.03426	1.4
62.21698	0.3
69.03424	1.2
70.06571	0.7
71.01348	0.5
71.45444	0.3
72.08100	0.4
73.02906	1.0
77.24253	0.4
83.04993	0.4
83.05590	0.4
84.08134	2.3
85.02891	1.4
86.09701	0.9
92.50620	0.4
94.92976	0.5
97.02889	0.7
98.06018	0.5
112.89610	2.6
114.89353	2.8
115.03945	0.8
118.00557	0.8
120.08084	1.1
129.10246	0.6
133.04929	0.5
136.94005	3.4
154.08636	0.6
161.99521	100.0
162.99911	1.9
171.00529	4.4
212.85306	0.5
228.39943	0.4
258.13300	0.4
268.92014	1.1
276.14465	1.3
293.93011	0.5
294.03738	12.2
294.09543	1.2
294.17764	0.7
295.04318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35469	1.5
56.05032	5.2
56.96560	1.5
62.36907	1.7
65.06227	1.4
69.67649	3.4
72.08156	6.7
73.08504	1.8
83.06111	71.5
84.04507	64.8
84.08152	2.4
85.02944	2.2
89.74320	1.5
91.05447	2.5
92.92145	1.6
98.97587	3.4
101.07156	8.3
103.05469	2.9
113.06007	3.0
114.06350	2.4
116.98740	2.1
117.03398	2.5
119.04878	2.3
120.08109	100.0
121.08458	1.7
130.12279	2.5
131.12625	2.0
135.04448	6.0
136.94080	1.8
137.05978	1.5
140.20973	1.5
145.02840	6.9
147.04401	8.2
147.14914	3.5
148.04779	8.9
148.15277	2.1
149.06085	1.8
159.15959	1.5
161.05974	4.9
163.03918	40.9
166.08655	37.3
177.05479	4.5
185.18854	1.5
186.09172	7.8
230.12920	8.6
231.11314	30.0
232.09637	1.6
252.95992	1.9
259.10809	2.9
276.13446	66.8
277.11786	38.7
278.12152	3.0
294.09836	1.9
294.14169	5.3
294.19165	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	294.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	6.6
56.96565	1.8
62.16902	1.1
67.05522	1.2
67.09170	1.5
70.97126	1.3
72.08170	6.2
73.08510	1.4
83.05610	2.8
83.06113	68.3
84.04513	71.8
84.08164	3.1
85.02912	4.0
89.03914	2.2
95.04997	1.5
98.97588	1.8
101.07153	8.0
103.05490	2.3
105.18895	1.2
115.07531	1.4
116.98678	2.0
117.03412	2.0
118.84212	1.4
119.04951	2.3
120.05283	2.1
120.08115	100.0
121.06509	3.0
121.08478	2.1
130.12311	2.6
131.07074	1.7
131.12703	1.4
135.04437	3.8
136.06201	2.7
136.94077	2.1
145.02843	4.1
147.04439	5.8
147.14987	2.6
148.04773	8.3
148.15297	1.8
149.06047	1.7
160.00124	1.3
161.06009	4.0
163.03905	25.2
166.08656	38.6
172.99329	1.4
177.05550	3.8
186.09142	7.0
191.95424	1.4
225.88641	1.3
230.12895	7.3
231.11295	21.1
232.09731	3.1
259.10944	2.0
276.13461	70.2
277.11795	35.0
282.52588	1.4
294.14169	4.6
294.17065	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.05498	0.2
57.07068	0.6
58.02961	0.3
65.03951	0.2
66.04713	0.1
66.56158	0.1
67.05494	0.6
69.07056	0.3
70.75494	0.2
71.08630	0.2
75.70815	0.2
79.05492	0.5
81.07056	1.6
86.09721	0.4
89.49829	0.1
91.05470	0.6
93.07026	0.2
94.04185	1.5
95.04940	0.2
95.08614	0.3
97.10170	0.3
107.08577	0.3
109.06504	0.3
114.09177	0.2
122.02796	0.3
122.03650	5.1
122.38927	0.2
123.11698	1.7
125.00004	0.2
137.05978	100.0
138.06302	1.8
139.11157	0.3
141.12750	0.3
153.52083	0.2
158.15398	1.5
170.15408	2.4
184.07405	0.9
216.21255	0.2
229.63878	0.2
238.11668	0.2
276.20468	0.4
294.13376	0.2
294.17007	0.4
294.20938	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	1.1
64.69411	0.2
65.03915	0.2
67.05492	0.6
69.07069	0.3
70.49457	0.1
71.08634	0.9
77.63712	0.1
79.05491	0.7
81.07069	1.0
83.08609	0.1
86.09691	0.2
88.07629	0.2
91.05506	0.7
93.07050	0.3
94.04185	1.8
95.08604	0.4
104.10704	0.2
105.07071	0.2
105.90021	0.2
107.04956	0.3
107.08599	0.4
109.06528	0.4
109.10176	0.3
119.08562	0.2
122.03654	6.2
122.04542	0.3
123.11707	0.2
123.25694	0.2
124.99986	0.2
133.10182	0.1
135.08159	0.2
137.05981	100.0
138.06326	2.1
141.12753	2.4
145.06512	0.4
146.06834	0.4
155.66017	0.2
158.15408	1.1
166.13344	0.1
170.15388	0.8
181.51398	0.2
184.07332	0.6
190.26836	0.1
219.37978	0.1
277.21658	0.5
294.17004	0.5
294.20737	0.4
297.50967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.9297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42225	2.5
52.36802	2.6
57.80999	2.8
84.08138	4.5
85.26738	2.8
86.09680	2.7
88.77225	2.4
112.89633	8.9
114.89333	9.1
136.94026	100.0
137.74925	2.9
145.02779	4.5
177.05498	11.3
220.85522	2.9
235.17014	3.5
277.15466	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
57.03439	2.9
60.04519	0.5
61.02927	0.7
63.30688	0.4
69.03429	2.8
69.91107	0.8
70.06574	0.5
71.01355	0.5
72.08156	0.9
73.02919	3.2
79.05500	1.5
81.03439	0.6
84.08110	0.8
85.02910	7.6
86.09691	0.4
87.04449	0.4
88.04008	0.4
89.03912	6.7
91.05476	1.4
95.04965	0.8
97.02906	3.6
98.97583	0.5
99.04420	0.6
100.07594	0.3
102.09132	0.4
104.19848	0.3
107.04948	2.2
109.02877	0.4
115.03953	2.5
117.03377	11.9
119.04959	1.0
119.11818	1.4
120.05261	0.5
120.08097	0.4
121.06510	0.5
122.05950	0.4
124.07590	0.7
126.09155	0.4
127.03914	1.3
133.04990	3.6
134.06039	0.8
135.04416	19.6
136.04765	0.5
136.07584	0.6
137.05960	0.3
138.09149	3.7
140.07074	1.5
145.02853	20.9
145.04945	2.0
146.03157	1.0
146.06004	1.9
147.04399	1.7
147.14899	0.4
148.04747	1.4
149.02342	0.5
149.05965	1.1
152.07144	0.7
158.08139	0.5
163.03906	100.0
164.04251	2.2
174.05481	0.4
175.03935	1.1
177.05473	13.2
178.05814	0.9
181.02376	0.4
188.69571	0.4
191.06995	2.2
193.55077	0.4
207.06554	2.5
240.91100	0.4
248.12822	1.8
259.14444	1.4
277.15497	4.1
294.19382	0.7
295.04446	1.3
295.07739	1.3
295.10999	0.6
295.16565	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	295.045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60267	0.2
55.01847	0.8
57.03432	2.6
58.24747	0.3
59.04977	0.4
61.02911	1.0
63.02367	0.3
64.63737	0.3
69.03422	3.3
70.36975	0.5
71.01347	0.7
71.84963	0.2
72.08141	0.3
73.02913	4.6
79.05479	0.9
81.03407	0.5
84.08160	0.3
85.02896	5.6
87.04446	0.7
88.03941	0.2
88.46759	0.3
89.03903	6.1
91.05486	0.7
95.04967	0.5
97.02895	3.5
97.10136	0.3
102.09154	0.4
103.03951	0.4
105.07018	0.3
107.04918	2.0
109.02904	0.6
115.03915	3.1
117.03374	10.0
119.04951	0.6
119.11819	0.3
120.08054	0.3
124.98674	0.2
127.03912	1.1
133.04959	2.3
135.04410	17.1
136.04773	0.4
136.07552	0.4
138.09119	0.8
145.02840	15.2
145.04924	1.1
146.06027	0.5
147.04376	0.6
148.04735	0.6
163.03891	100.0
164.04210	1.9
175.03856	1.4
177.05472	3.4
178.05676	0.3
181.04915	0.3
191.06882	0.3
207.06535	2.3
232.78946	0.2
248.12790	0.3
249.01575	0.2
277.15521	0.7
278.13763	0.3
286.10764	0.3
291.25128	0.3
295.04453	0.9
295.16443	1.6
295.19348	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1112
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29845	0.3
65.03938	0.5
67.05506	0.4
72.04520	0.6
78.03794	0.7
79.05499	0.3
81.07056	0.5
89.36217	0.3
91.05482	6.9
93.07057	0.3
93.90912	0.3
95.08615	0.5
102.03767	1.2
102.77312	0.3
105.78123	0.3
114.03750	0.5
117.03415	0.5
119.04943	21.2
120.05323	0.4
131.06390	0.5
132.04820	0.9
135.04453	0.7
135.45502	0.3
145.02818	1.5
147.04405	100.0
148.04733	2.7
149.07442	7.2
163.03899	3.0
164.07149	0.4
177.05487	2.3
218.08113	9.8
248.12729	0.3
277.15195	0.5
295.11087	2.5
295.14899	0.8
295.19092	0.3
295.23404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
56.05006	0.4
63.02384	0.4
70.13885	0.7
72.08150	1.8
79.67828	0.4
84.08142	7.1
86.09734	0.5
89.03903	3.1
99.99168	0.4
101.10777	0.6
102.08516	0.8
102.09184	14.7
108.24982	0.4
117.03380	18.3
119.11817	27.3
120.12132	0.5
134.03625	0.6
135.04462	0.5
145.02849	57.0
145.09692	0.8
146.03160	1.4
149.06004	5.5
163.03929	0.8
177.05472	100.0
178.05852	2.5
248.12837	14.4
260.12839	1.6
277.15475	24.0
278.13501	0.6
295.16528	20.9
296.16876	0.8
296.60178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.6
69.92883	0.8
69.93208	0.5
70.75920	0.4
72.08148	1.1
84.07695	0.5
84.08134	3.3
86.09700	0.8
88.47940	0.4
89.03917	2.9
91.05461	2.2
101.10768	1.4
102.09207	3.2
117.03381	15.3
119.04950	1.9
119.11815	6.5
121.06434	0.5
130.15935	1.6
134.03644	1.0
135.04457	0.8
136.07570	8.4
145.02849	57.2
145.09734	0.9
146.03221	1.4
149.05992	5.9
161.10756	0.8
163.03914	0.6
177.05475	100.0
178.05807	2.3
178.12236	0.4
179.06013	0.9
186.05544	0.4
207.06567	0.6
248.12834	15.5
249.13216	0.5
260.12796	2.0
277.15482	27.5
278.15875	0.7
295.16528	16.2
296.16916	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	0.4
62.70702	0.3
70.52760	0.6
72.08131	0.9
84.07730	0.4
84.08160	3.0
89.03909	3.9
91.05500	0.6
97.87870	0.4
101.10777	1.1
102.09187	4.1
117.03377	18.0
118.03722	0.6
119.11823	8.4
134.03630	0.8
135.04417	2.7
136.07596	0.9
145.02846	59.5
145.09717	0.6
146.03152	1.9
149.05972	7.0
150.95555	0.4
163.03908	11.7
164.04120	0.5
177.05469	100.0
178.05786	3.9
179.06010	0.7
179.88322	0.4
248.12814	17.6
249.13217	0.6
260.12817	2.1
270.27170	0.4
277.15482	28.2
278.15805	1.4
295.16525	14.3
296.16904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59053	0.3
55.05520	0.6
57.58176	0.3
70.70440	0.4
72.08141	1.4
84.08148	3.3
86.09682	0.4
89.03908	3.8
91.05482	0.4
95.10564	0.3
97.18269	0.3
101.10765	1.1
102.09177	4.2
108.58356	0.3
109.00606	0.4
117.03379	18.5
118.03654	0.4
119.11815	8.7
120.08104	0.7
129.82712	0.3
134.03638	1.1
135.04445	1.2
137.06044	0.4
145.02847	63.1
145.09772	0.7
146.03198	2.0
149.05968	7.4
150.07747	3.5
162.03107	0.4
163.03918	0.7
177.05470	100.0
178.05843	2.9
179.05969	0.4
228.79845	0.3
248.12833	16.3
249.13214	0.9
260.12766	2.1
277.15482	28.8
278.15793	1.0
295.16522	16.1
296.16794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1904
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
51.06432	0.7
51.33975	0.7
51.56728	0.7
55.01863	7.2
55.05510	4.4
57.07067	0.8
60.08163	1.4
67.05505	5.0
69.03401	0.8
69.07085	4.1
69.78781	2.4
69.79149	0.9
69.84589	0.7
70.19432	0.7
70.43396	0.7
71.05002	0.8
77.64827	0.6
78.23169	0.6
78.62411	0.8
79.05498	4.6
81.07059	30.6
83.04977	1.3
83.08615	3.0
86.09708	6.5
91.05490	2.8
93.07054	4.7
95.08611	6.2
97.06544	0.8
98.98458	0.7
105.07042	2.0
107.08598	4.2
108.26322	0.8
109.06525	13.6
109.10147	2.7
111.04443	12.3
111.08082	1.2
119.08572	2.8
120.94108	0.7
121.10139	3.2
121.17088	0.8
123.08070	3.0
123.11732	1.3
125.00041	4.8
125.05983	3.7
131.08589	1.6
133.10162	4.1
135.08041	3.2
135.11664	2.1
137.05981	100.0
137.13255	1.0
138.06400	1.2
142.25136	0.7
145.10146	1.3
145.67143	0.7
147.08047	1.7
147.11690	5.1
149.09615	3.5
149.13252	1.3
151.07587	2.2
151.11205	0.9
157.10127	1.4
159.11670	0.8
161.09625	3.5
161.13271	1.8
163.11209	2.4
165.09120	2.1
167.10683	1.3
171.11691	1.3
173.13144	0.7
175.11221	3.7
175.14824	1.3
177.12831	1.4
179.10666	1.8
179.14362	1.8
184.07362	17.2
193.12273	1.7
203.17920	5.0
205.19473	1.3
213.16422	2.8
218.70432	0.7
221.18962	1.7
223.14655	1.2
231.17413	8.0
241.15910	1.0
249.18513	9.9
269.01190	0.8
276.14948	0.9
277.18011	49.2
278.18253	3.0
295.19208	5.9
296.25632	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	295.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01867	5.9
55.05509	4.3
57.07064	1.5
58.17620	0.6
67.05502	4.8
69.03431	0.7
69.07064	3.6
69.85309	1.9
70.06580	2.0
71.08620	1.0
76.34382	0.7
79.05489	4.8
81.07059	30.1
82.07393	0.8
83.04976	2.2
83.08622	2.1
91.05479	2.0
93.07057	3.6
95.04987	1.4
95.08627	5.0
97.06562	1.1
101.42329	0.6
105.07036	3.0
107.08595	2.8
109.06512	13.1
109.10152	2.4
111.04446	13.4
119.08597	3.5
121.10152	2.6
122.59097	0.6
123.08073	2.3
123.11677	1.5
125.05991	4.2
125.09633	0.9
129.12158	0.6
131.08536	1.6
133.10147	4.2
135.08055	2.1
135.11667	3.7
137.05978	100.0
137.13228	2.0
138.06320	2.4
143.08582	1.1
145.10143	1.5
147.08043	1.2
147.11708	4.1
149.09592	3.3
149.13261	1.3
151.07536	2.3
157.10150	1.1
159.11690	0.7
161.09636	3.7
161.13315	1.6
163.11191	2.6
165.09131	2.1
171.11719	1.4
175.11188	2.9
175.14764	0.9
179.10696	1.7
181.12254	0.6
189.12802	0.7
192.05078	0.7
193.12164	1.5
203.17938	6.4
213.16389	1.7
221.18954	1.8
222.21542	0.8
222.91960	0.6
231.17415	8.4
241.15767	1.1
249.18495	10.0
277.17990	45.2
277.21362	2.3
278.18265	2.1
283.19189	0.7
295.19046	6.2
295.22641	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	295.1907
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
55.01869	6.7
55.05511	3.6
57.07073	1.0
61.71789	0.3
67.05509	4.1
69.03447	0.5
69.07072	3.6
69.69934	1.2
69.97551	0.3
79.05504	4.7
81.07059	28.5
83.04997	2.1
83.08630	1.5
85.06541	0.3
87.52743	0.3
91.05479	1.4
93.07051	4.4
95.04969	0.4
95.08612	5.0
97.06531	1.2
97.10214	0.3
98.22708	0.4
99.08096	0.4
102.47750	0.3
105.07019	1.9
107.08592	3.1
109.06523	13.2
109.10160	2.9
110.06847	0.4
111.04447	12.9
111.08077	0.9
113.26094	0.3
117.07085	0.7
119.08580	3.3
121.10149	3.2
123.08080	1.3
123.11713	1.4
125.05998	4.1
127.99835	0.3
129.07042	0.3
131.08559	1.5
133.10126	3.3
135.08081	2.0
135.11685	3.3
137.05981	100.0
137.13243	1.4
138.06352	2.0
143.08557	0.8
145.10139	1.3
147.08066	0.8
147.11705	4.4
149.09630	2.9
149.13232	1.5
151.07558	2.4
151.11208	0.7
157.10150	1.0
159.11696	1.2
161.09627	4.6
161.13237	2.0
163.07515	0.4
163.11221	2.2
163.14812	0.6
165.09134	2.2
165.12808	0.3
167.10735	0.4
171.11714	0.9
173.13283	0.8
175.11182	3.8
175.14793	1.1
177.12752	0.5
179.10704	2.3
179.14420	0.3
184.07454	0.4
189.12779	1.0
193.12183	0.9
197.13261	0.5
203.14276	0.4
203.17946	4.2
205.19496	0.5
213.16422	2.3
221.19055	1.7
223.14857	0.6
231.17430	9.1
241.15900	1.2
249.18515	10.2
250.18929	0.5
259.16992	0.5
266.96524	0.3
277.17990	49.9
278.18262	2.7
285.18771	0.3
295.19012	5.9
295.22137	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1905
Annotation	Discosiolide
Peak:m/z	Relative Intensity
53.03946	2.3
55.01838	3.2
55.05301	1.8
55.05516	20.7
56.47228	1.9
57.03437	29.4
64.46420	2.0
67.05505	64.5
69.07066	25.3
69.56724	9.5
71.04993	25.9
75.27544	2.2
77.03936	2.4
79.05495	52.7
81.03406	3.5
81.07056	69.8
83.04974	15.5
83.08618	10.4
85.02931	10.9
85.06553	4.1
91.05478	63.7
92.05818	2.9
93.06448	3.2
93.07045	59.8
95.04969	97.4
95.08607	43.4
96.05265	3.1
97.06534	37.9
97.10208	3.3
99.08104	3.4
103.05461	2.5
105.07034	50.3
107.04971	42.0
107.08598	33.8
109.06513	10.6
109.10141	21.0
111.04420	17.4
111.08063	7.6
113.09650	3.1
117.07031	18.6
119.08582	44.8
121.06496	7.5
121.10177	11.2
123.08049	8.6
123.11720	3.1
129.07025	11.0
131.08553	8.5
133.06494	26.5
133.10132	17.0
135.08015	2.6
135.11708	13.3
136.70610	2.1
137.09604	7.1
143.08582	16.0
145.10107	13.2
147.08012	5.0
147.11679	5.2
149.13248	3.3
157.10155	4.0
159.11716	10.1
161.09654	4.0
161.13266	24.9
163.11180	20.6
175.11209	3.6
175.14835	8.0
177.12723	12.3
179.14310	86.2
180.14658	3.8
185.13300	20.2
203.14307	20.3
221.15376	100.0
222.15639	2.5
248.19040	2.4
295.19043	76.0
296.19363	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.4
55.01872	4.7
55.05513	32.9
56.96571	2.1
57.03445	28.3
67.05164	4.7
67.05506	77.7
69.07070	28.7
69.47299	9.6
71.04990	30.4
71.08627	7.0
79.05495	53.2
81.03425	4.9
81.07059	80.7
83.04985	19.7
83.08627	19.7
85.02901	12.1
85.06576	3.5
86.09730	4.3
91.04940	4.1
91.05483	59.9
93.07050	71.2
95.04974	100.0
95.08613	51.5
97.06532	41.9
97.10178	7.1
99.08102	6.2
105.04469	2.2
105.07036	55.0
105.55008	2.0
106.07362	2.8
107.04958	43.0
107.08595	34.0
109.06512	12.8
109.10159	21.4
111.04443	20.1
111.08057	4.5
112.86720	2.0
113.09647	3.6
117.07029	23.1
119.08584	45.8
120.41687	2.1
121.06539	12.7
121.10141	12.5
123.08070	9.3
123.11794	2.8
125.09615	6.0
128.06242	3.3
129.07019	12.9
131.08549	7.4
133.06500	22.6
133.10138	21.9
135.08054	5.5
135.11725	14.9
136.74562	2.3
137.09644	6.7
142.07771	2.7
143.08572	17.8
145.10132	13.8
147.08025	4.0
147.11662	6.7
149.13283	5.8
151.11200	4.8
157.10143	5.0
159.11667	11.0
161.09619	4.3
161.13255	28.3
163.11189	24.3
175.11133	3.1
175.14903	9.6
177.12802	11.0
179.14319	85.9
180.14677	2.3
185.13310	21.7
189.11287	4.7
203.14301	22.8
221.15376	97.6
222.15805	4.0
222.96471	2.2
259.20554	2.7
277.21597	13.9
277.91812	2.3
295.15555	4.0
295.19055	67.3
295.22183	3.7
296.06897	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	295.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01869	5.8
55.05514	22.1
56.96555	1.2
57.03183	1.9
57.03442	30.7
57.07069	3.1
60.23606	1.1
65.03951	3.0
67.05508	58.5
68.45753	1.3
69.03458	1.3
69.07070	31.0
69.22519	6.8
71.04630	2.1
71.04999	27.6
71.08614	1.2
79.05500	56.9
81.03436	2.6
81.07061	73.9
82.07409	1.4
83.04991	13.0
83.08628	20.4
85.02892	1.9
85.06544	4.9
86.09707	2.4
87.08135	1.3
91.05484	56.0
92.05764	1.3
93.07048	89.2
94.07387	2.9
95.04974	100.0
95.08607	45.8
95.09215	2.0
96.05341	1.7
97.06537	39.7
97.10178	3.1
99.04484	1.7
99.08076	3.4
104.10732	1.7
105.04501	2.0
105.07036	78.0
107.04967	24.6
107.08596	45.4
109.06520	13.9
109.10165	14.5
111.04449	8.0
111.08066	8.5
113.06007	1.5
113.09640	1.7
117.07017	14.7
119.08587	45.4
119.09428	2.8
121.06533	10.3
121.10158	11.1
123.08063	12.3
123.11713	3.0
124.99990	1.5
127.07568	2.1
128.06224	2.9
129.07008	9.1
131.08583	9.5
133.06485	14.1
133.10121	19.5
135.08067	4.4
135.11691	12.2
137.09608	5.3
139.07538	1.3
143.08574	21.5
145.10175	10.4
147.08028	4.4
147.11722	5.9
149.13232	2.1
151.11240	2.5
157.10158	8.2
159.11720	9.6
161.09645	6.0
161.13263	39.0
163.11188	26.4
165.09145	1.8
166.92946	1.5
167.11655	1.1
167.89389	1.3
175.11168	7.8
175.14813	8.0
177.12695	1.6
179.14308	21.2
184.07259	1.7
185.13272	41.7
203.14330	21.1
221.15373	65.3
222.15648	2.6
239.16614	2.6
240.09955	2.6
277.21606	4.2
279.11136	1.4
286.63583	2.4
295.15363	5.3
295.19019	51.1
295.22107	2.1
295.64224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03948	1.8
55.01872	4.4
55.05261	1.4
55.05516	26.8
57.03445	1.4
57.07077	8.0
59.05008	1.7
67.05507	25.3
69.07070	13.5
69.56899	2.9
69.57287	2.4
70.06602	1.4
71.05006	1.3
71.08636	4.9
73.06561	6.6
78.50844	1.5
79.05497	25.5
81.03417	3.6
81.07060	29.0
82.07371	1.3
83.04977	9.5
83.08630	10.1
85.06553	1.2
91.05480	13.0
92.17101	1.1
93.07053	24.5
95.04964	10.3
95.08615	24.4
97.06526	13.6
97.10167	10.6
98.23392	1.6
99.08113	2.0
105.07034	13.8
107.08604	24.0
107.09302	0.9
109.06542	6.6
109.10173	10.7
111.04450	2.5
111.08112	1.6
113.09663	1.9
117.06990	2.4
119.08589	11.8
121.10143	12.6
123.08053	4.6
123.11697	5.2
125.09607	3.3
128.19939	1.2
129.07060	2.1
131.08575	4.1
133.10149	7.9
135.07999	1.5
135.11705	7.4
137.09631	1.3
137.13257	2.7
143.08556	4.5
145.10136	1.7
146.29312	1.0
147.11702	7.3
149.13281	5.9
151.11169	2.4
151.14822	1.6
153.12784	3.6
157.10127	1.2
159.11681	1.3
161.13260	9.9
163.11258	2.4
163.14900	1.9
165.12776	12.1
166.12889	1.2
167.14346	1.4
170.71486	1.1
171.11714	7.4
173.13377	1.6
175.14865	5.4
177.16380	3.6
179.14317	6.7
181.12230	11.0
185.13290	4.4
189.11234	1.3
189.12769	2.5
193.15833	2.6
207.13849	6.9
221.15288	1.3
225.14839	2.5
225.38118	1.2
231.21068	8.6
241.19562	9.9
249.22147	14.7
259.20605	20.5
260.21143	1.3
277.21649	100.0
278.22025	5.2
279.23270	3.5
279.90427	1.1
295.17346	1.3
295.20895	1.4
295.22794	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	11.5
54.48319	0.8
55.01873	6.2
55.05513	23.9
57.03438	2.4
57.07082	6.3
58.64280	1.0
59.05007	1.2
65.03934	1.6
67.05507	51.7
67.78215	0.7
68.05824	0.9
69.03426	3.1
69.07069	32.0
69.84804	1.6
69.85193	1.6
71.05009	3.3
71.08635	5.8
79.05497	31.0
81.03420	52.7
81.07063	43.0
82.14684	0.8
83.04987	14.0
83.08625	9.3
85.06557	2.2
85.10193	3.1
91.05480	20.3
91.06042	1.1
93.07051	33.7
95.04970	33.3
95.08605	20.7
97.06548	4.2
97.10174	6.7
99.08089	4.6
105.07035	20.3
107.04991	1.8
107.08599	22.1
109.06503	5.9
109.10165	16.2
111.08109	3.1
113.09679	1.3
117.07031	2.7
119.08588	10.3
121.06496	1.5
121.10149	12.0
123.08105	2.7
123.11710	7.7
125.09633	5.0
129.07014	2.4
131.08574	5.1
133.10135	15.3
135.08086	5.0
135.11694	7.7
137.09599	4.0
137.13295	1.9
139.07582	1.0
139.11171	1.9
141.12787	1.5
143.08533	1.4
145.10179	2.1
147.08051	2.0
147.11678	10.8
149.09644	1.5
149.13240	6.8
151.11185	41.6
152.11586	1.2
153.09109	4.7
153.12796	1.0
157.10175	2.5
159.11725	0.9
161.09579	1.5
161.13258	10.5
163.14804	5.1
165.12781	9.6
171.10301	1.9
171.11679	3.8
173.13249	1.7
175.11237	2.2
175.14871	4.9
177.12790	2.3
179.14316	3.7
185.13252	1.7
189.11293	2.0
189.12796	2.0
193.12248	2.1
199.14867	0.9
207.13725	4.1
217.19543	2.5
221.15413	2.9
231.17538	1.1
231.21111	10.3
241.19553	6.0
249.22122	7.3
259.20602	7.6
277.21637	100.0
278.21976	4.8
290.37000	0.9
295.22717	20.8
296.23123	0.9
297.95938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03943	13.8
55.01873	7.1
55.05515	18.3
57.07072	10.0
61.21476	2.4
67.05507	42.0
69.07068	43.7
69.26035	4.0
69.26306	12.9
71.04983	3.3
71.08628	3.8
79.05503	27.2
81.03418	54.8
81.07063	51.1
83.04990	10.1
83.08624	11.2
85.06545	3.0
85.72118	2.4
90.95192	2.4
91.05470	17.5
93.07050	35.8
95.04977	29.7
95.08611	23.0
97.06524	3.4
97.10165	8.0
99.42306	2.4
105.07027	28.0
107.08592	26.8
109.06531	14.2
109.10172	13.2
111.04440	4.2
112.30180	2.3
117.06987	4.4
119.08602	9.7
121.10130	10.9
123.08064	5.4
123.11685	7.0
125.06065	2.8
125.09634	9.1
131.08592	3.3
133.06468	5.5
133.10132	12.5
135.08060	4.5
135.11699	10.9
137.05983	28.1
137.09625	2.3
141.98235	2.7
143.08539	4.4
147.11662	11.1
149.13275	8.2
151.11176	30.2
157.10100	2.7
161.13271	17.8
163.14844	6.8
165.12727	3.7
171.11650	5.1
173.13264	3.3
175.14861	3.7
177.12848	3.2
179.14105	2.6
185.13211	5.4
189.12682	3.8
207.13811	4.7
231.17395	4.0
231.21049	6.2
241.19498	7.9
249.18498	2.9
249.22122	6.1
259.20639	6.0
271.90686	2.6
277.15414	3.4
277.18170	11.1
277.21582	100.0
278.21884	3.3
279.23285	4.4
295.17010	3.2
295.20691	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03956	2.4
55.01874	3.9
55.05512	16.4
57.03436	3.4
57.07082	3.5
59.04998	1.2
65.03945	1.9
67.05505	43.9
69.07063	14.0
69.85175	3.4
71.05006	1.9
71.08633	42.4
77.03921	2.1
79.05497	40.4
81.03413	7.0
81.06563	1.5
81.07058	50.9
83.04981	10.5
83.08613	11.0
85.06546	3.5
91.05479	19.7
93.07047	51.8
93.57974	1.0
95.04967	10.5
95.08604	35.3
97.06560	7.5
97.10189	3.0
98.23373	1.6
99.08097	32.9
105.04499	2.0
105.07034	15.4
107.04977	5.3
107.08594	28.4
109.06522	3.2
109.10158	11.7
111.08095	2.6
113.09652	2.1
117.07021	3.8
119.08577	12.8
121.06564	1.3
121.10149	27.1
123.08068	1.3
123.11727	2.1
125.09598	1.6
127.11249	1.8
129.42606	1.1
131.08580	3.2
133.10126	9.3
135.08147	1.3
135.11700	35.7
135.75516	1.2
137.03984	1.2
137.09622	4.4
137.13312	2.2
139.11253	1.3
141.09106	3.4
142.37370	1.2
143.08551	1.4
145.10182	3.2
147.11717	4.4
149.13258	10.9
151.11176	13.4
153.12729	2.6
157.10170	1.3
159.11710	3.4
159.28020	1.1
161.13257	9.9
162.79536	1.1
163.11237	5.1
163.14795	2.4
165.12788	2.3
167.10718	1.8
171.11783	1.8
173.13318	1.9
175.14908	1.1
177.12769	3.7
179.14305	100.0
180.14691	3.2
185.13210	2.2
189.12749	3.0
195.13826	1.4
199.14825	2.6
221.15350	3.9
233.22725	1.8
235.16949	4.9
241.19725	1.5
259.20621	4.3
270.44977	1.3
277.21634	51.0
278.22031	2.1
295.22763	3.5
295.31241	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03941	4.3
54.42388	1.1
55.01875	22.9
55.05259	2.7
55.05513	48.0
57.03429	5.5
57.07076	8.1
59.05009	2.7
64.86069	1.1
65.03936	2.4
67.05506	75.7
68.05834	1.3
69.03416	5.4
69.06712	2.0
69.07069	29.9
71.04996	6.1
71.08634	39.6
73.29025	1.3
79.05037	2.7
79.05496	44.8
81.03422	13.5
81.07056	62.3
82.07379	1.8
83.04985	17.2
83.08124	1.8
83.08624	29.9
85.02913	1.4
85.06528	5.1
85.10177	4.4
87.04481	1.2
89.03915	1.4
91.05479	32.6
93.07043	52.4
95.04967	17.0
95.08609	43.2
96.08935	1.2
97.06525	14.6
97.10172	27.0
97.10744	2.4
99.08095	33.8
105.07025	24.0
107.04943	4.7
107.08592	31.5
109.06506	9.0
109.10155	24.1
111.04482	1.5
111.08084	22.3
111.11760	1.5
113.09655	6.2
115.05472	1.5
117.03408	1.6
117.07011	5.4
119.08589	20.2
121.06497	2.3
121.10146	24.3
123.08064	10.1
123.11716	8.8
125.09628	18.3
129.06978	3.4
130.40343	1.3
131.08569	8.0
133.06549	1.2
133.10133	18.6
135.04393	3.1
135.08028	4.6
135.11700	17.2
137.09644	8.3
137.13245	2.7
139.07559	2.8
139.11192	7.5
141.12843	2.0
143.08553	1.9
143.10690	2.0
145.02859	3.0
145.10135	7.4
147.03268	1.1
147.08046	1.6
147.11703	17.0
149.02356	3.1
149.09642	4.6
149.13257	14.9
151.11176	31.8
152.18457	1.3
153.09109	1.6
153.12761	4.9
157.10144	5.7
159.11711	3.6
161.13260	15.6
163.03902	17.7
163.11168	15.1
163.14813	4.7
165.12781	16.6
167.10675	1.5
167.14336	2.4
171.10309	1.3
171.11710	4.5
173.13268	3.9
175.11177	4.4
175.14836	4.7
177.12737	2.4
179.14331	12.8
181.12248	3.4
181.71791	1.5
185.13315	3.5
187.14876	1.7
189.11230	15.6
189.12706	1.8
189.16367	1.6
191.14249	1.2
193.12276	3.5
193.15846	2.0
195.13867	2.2
199.14812	4.4
207.13756	2.4
207.38274	1.2
217.19577	2.1
221.15433	3.6
229.65714	1.3
231.21101	5.7
235.17026	2.4
241.19542	8.6
249.22054	7.0
259.20557	16.4
277.21631	100.0
278.21964	4.6
288.92368	1.4
295.15131	2.2
295.22681	43.7
296.23074	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
55.01865	6.9
55.05516	35.8
55.86505	3.4
57.03426	4.8
57.07064	7.4
59.73876	3.3
67.05508	85.3
69.06748	4.2
69.07076	38.2
69.13956	3.0
71.04987	15.4
71.07362	5.8
71.08267	5.0
71.08629	60.6
79.05489	35.7
81.03421	8.4
81.07058	61.6
82.37243	3.1
83.04979	8.5
83.08616	15.5
85.06537	3.5
86.09705	23.9
88.17781	2.9
91.05495	31.3
93.07051	75.8
95.04958	10.7
95.08604	99.3
96.72211	3.3
97.06535	11.7
97.10167	14.0
99.08092	45.9
104.10738	4.9
104.99267	4.1
105.07025	21.9
107.04977	5.5
107.08583	28.3
109.06512	4.1
109.10162	14.9
111.08090	3.7
117.06980	3.7
119.08587	18.2
121.06486	3.9
121.10142	33.0
123.08073	12.4
123.11677	4.0
125.00010	11.7
131.08575	12.0
133.06487	9.2
133.10127	19.4
135.08081	4.1
135.11671	19.0
137.05930	4.6
137.09621	7.9
138.06342	3.5
139.11198	12.6
145.10115	10.6
147.11671	12.0
149.02344	3.9
149.09644	4.0
149.13275	12.4
151.11169	36.3
159.11685	6.2
161.13223	13.0
163.11208	16.7
171.11682	6.1
175.14813	6.7
177.05496	7.6
179.14346	26.4
184.07355	43.5
185.13182	4.3
187.13338	4.2
193.15840	4.1
203.12852	4.2
221.15245	4.2
241.19551	8.5
255.89777	4.1
259.20535	21.2
277.21631	100.0
295.22693	9.6
296.25616	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	295.2271
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
53.03942	2.1
55.01873	6.7
55.05255	2.5
55.05516	45.5
57.03443	15.5
57.07079	9.4
59.05010	1.6
65.03956	2.5
67.05509	88.2
68.05848	2.0
69.03437	9.2
69.07071	41.8
69.56284	2.6
69.56670	2.7
71.04998	10.2
71.08639	8.6
73.06558	1.5
77.03934	2.1
79.05500	44.1
80.05830	1.7
81.03423	9.4
81.07061	100.0
82.07385	2.0
83.04514	1.9
83.04981	13.8
83.08624	25.0
85.06556	4.6
85.10206	1.5
87.04499	2.1
91.05482	28.3
93.07050	47.1
95.04979	13.9
95.08613	49.3
97.06549	10.5
97.10166	13.0
98.22654	2.5
99.08114	5.0
105.04555	2.1
105.07034	22.5
107.04990	1.5
107.08598	25.7
109.06532	6.6
109.10165	20.0
111.08079	9.7
111.11718	2.0
113.06006	1.5
117.00011	1.4
117.07063	3.8
118.26650	1.4
119.08582	20.0
121.10146	12.1
123.08070	3.6
123.11714	11.8
125.09643	10.0
129.07050	3.8
131.08606	6.7
133.10146	13.5
135.08064	3.8
135.11676	8.5
137.09616	6.1
137.13194	1.9
139.11191	7.1
143.08591	1.7
145.10141	4.9
147.11684	11.2
149.09680	3.4
149.13248	6.2
151.11192	6.0
153.09117	3.7
153.12788	4.4
155.10660	10.3
157.10190	2.7
159.11673	1.5
161.09641	1.4
161.13232	9.0
163.11214	2.5
163.14926	2.0
165.12799	5.1
167.10558	1.2
167.14479	1.4
171.11702	2.5
173.11754	2.5
175.11253	2.7
175.14835	4.4
177.12785	2.1
177.16345	1.5
179.14325	2.3
189.11212	3.5
189.12720	1.4
193.12280	6.0
199.14798	1.5
207.13844	1.7
211.13240	1.8
221.15427	1.5
226.25925	1.3
231.21194	2.6
241.19585	2.8
249.22264	2.2
259.20566	5.5
277.21634	29.7
278.21957	2.2
295.22653	24.9
318.08591	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2271
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.02382	3.3
53.03951	3.8
55.01862	8.8
55.05511	49.5
57.03436	13.2
57.07078	12.8
60.64520	2.4
67.05505	90.9
68.05849	3.2
69.03436	4.4
69.07071	46.0
70.06588	2.4
70.42727	2.1
71.04985	10.2
71.08618	7.6
71.46502	2.2
71.96021	2.3
73.06554	3.5
79.05499	55.4
79.74203	2.1
81.03411	6.2
81.07056	100.0
83.04987	28.0
83.08620	24.0
85.06537	10.4
85.10175	5.3
91.05487	33.0
93.07048	69.8
95.04979	19.1
95.08614	64.2
95.09209	3.6
97.06526	16.6
97.10183	17.3
99.08095	7.8
105.07029	23.7
107.08595	34.1
108.07367	2.1
109.06504	10.6
109.10148	29.3
111.08086	9.5
115.07561	2.5
117.07055	6.2
119.08602	25.2
119.26241	2.1
120.59964	2.2
121.10153	23.5
123.08076	6.9
123.11718	12.5
125.09642	12.9
129.07013	4.6
131.08557	6.3
133.06534	4.8
133.10107	17.3
135.08003	4.4
135.11710	10.3
137.06001	2.6
137.09605	4.8
139.11177	21.4
143.08597	4.0
145.02856	2.8
145.10150	3.8
147.08031	2.7
147.11658	15.2
149.13197	11.0
151.11194	9.0
153.09087	2.6
153.12767	4.6
155.10680	5.2
157.10152	5.2
159.11728	5.2
161.13307	13.9
163.11139	3.0
163.14781	5.6
165.12781	6.8
167.10762	3.1
171.11688	6.2
173.11765	3.7
173.13254	3.8
175.11243	2.8
175.14851	6.6
177.05533	3.8
177.16429	2.3
179.14293	5.1
181.12238	3.1
185.13280	4.3
189.11206	6.0
193.12221	5.3
207.13866	3.9
221.15454	4.3
229.90262	2.3
231.17424	2.2
231.21133	3.6
241.19569	4.2
249.22168	5.2
253.23154	2.7
259.20541	10.1
274.84033	2.2
277.21649	69.1
277.24496	2.6
278.21863	3.3
295.17487	3.0
295.22678	69.0
296.23080	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	296.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	47.4
64.13699	0.9
67.05516	1.9
69.92931	2.0
80.94868	1.4
83.04984	100.0
91.05491	2.3
93.07026	1.1
101.06004	2.3
104.99236	1.3
119.08581	11.5
147.08057	43.3
247.13281	11.2
249.69717	1.1
278.24838	4.8
296.25616	68.4
297.25925	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1858
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
53.03923	1.2
55.01873	11.9
55.05508	8.3
56.05045	1.8
56.96577	1.7
58.76314	0.9
67.05515	9.3
68.05031	1.1
68.05836	2.4
69.03455	1.5
69.07074	3.7
70.02956	3.1
70.06596	3.7
70.07432	0.9
71.04998	15.4
71.08631	2.5
79.05492	6.2
80.05837	1.4
80.94856	1.1
81.07066	7.4
82.07409	2.0
83.04980	2.0
83.08620	2.3
86.09717	5.2
91.05487	4.6
92.05817	1.2
93.07053	3.5
94.06580	1.5
95.04984	1.9
95.08634	4.5
96.08166	3.7
96.08932	1.3
97.06529	1.4
97.10181	3.5
98.06846	0.9
98.09699	28.0
99.08119	1.8
104.10755	2.8
104.99275	1.1
106.06561	2.8
106.07324	1.5
107.04926	1.0
107.08616	4.2
108.08130	1.5
108.08899	2.0
109.06525	1.7
109.10123	2.1
110.10505	1.3
111.08113	1.1
117.06987	1.0
119.08555	2.9
120.08114	1.3
120.08930	1.4
122.06032	16.4
122.10503	1.3
124.07599	30.6
125.00005	3.7
125.09618	2.3
125.68699	0.9
129.52438	1.7
132.73120	1.0
133.10120	1.1
136.07581	9.0
137.09621	1.1
138.09953	1.6
138.53012	2.2
140.07068	22.0
148.07600	4.1
149.08403	1.7
171.82019	1.0
174.13498	1.0
181.02573	1.3
181.08609	3.0
184.07414	4.5
189.11168	1.6
198.14883	1.1
198.96841	1.3
232.17000	3.6
239.90352	0.9
240.09952	3.9
242.19867	1.2
250.18044	7.9
260.16486	21.3
260.20773	1.6
268.19083	5.4
278.17508	100.0
278.21869	6.5
279.17960	4.5
286.63586	2.0
295.64404	1.8
296.15225	1.6
296.18561	6.3
296.23123	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	296.2587
Annotation	Tetrahydrobungeanool
Peak:m/z	Relative Intensity
55.05510	5.9
55.84148	1.9
56.05024	3.5
57.03423	1.9
58.06604	3.9
66.39404	1.7
67.05511	20.4
69.07075	4.6
69.89969	4.4
70.06594	30.4
72.04507	8.6
79.05502	8.9
80.94880	3.4
81.07066	20.1
82.06567	2.8
83.08620	2.7
84.08154	2.7
84.64082	1.7
90.96766	3.3
91.05492	4.9
93.07056	12.7
93.88050	1.9
95.08607	15.6
96.08115	1.9
104.99274	3.5
105.07037	3.7
107.08582	6.1
109.10150	5.6
110.09728	2.2
121.10142	5.4
123.11703	3.3
130.72589	2.2
135.11699	3.4
148.04256	13.9
180.01471	2.5
187.35089	1.8
189.71249	1.9
223.43500	1.8
278.24826	47.7
296.18625	3.0
296.25870	100.0
297.26120	5.5
307.82877	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80693	0.7
55.50498	0.6
56.96551	2.7
59.04998	2.0
61.02924	1.2
68.05025	1.4
69.28899	4.0
81.03413	0.8
84.08156	0.8
85.02896	1.0
86.06090	3.4
89.03913	4.7
91.05420	1.0
93.07041	1.0
98.97578	19.8
99.08068	1.4
100.08434	2.0
104.07100	12.2
109.64508	0.6
116.98625	12.4
117.03379	18.9
117.09103	1.9
118.09464	1.1
119.04942	0.9
119.07063	2.5
121.06491	3.0
121.09737	12.3
134.03642	1.1
134.99654	5.3
135.04372	1.5
135.05363	0.7
136.06203	1.3
136.07536	2.4
145.02846	58.2
146.03157	1.3
147.04413	1.6
147.07625	0.7
149.06000	6.5
153.00777	0.8
163.03877	1.2
172.94321	1.2
177.05467	100.0
178.05789	2.3
190.95271	1.0
232.96428	2.0
235.88533	0.8
250.89282	0.8
256.96335	3.6
273.91199	1.1
274.97495	23.6
279.13403	12.8
279.79758	0.6
280.15463	0.9
292.98566	14.1
297.14496	8.6
297.17749	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.9
68.05037	1.1
69.03429	0.5
69.76213	1.0
81.03468	0.3
84.04504	0.5
84.08101	0.4
85.02899	0.3
86.06088	1.5
86.97411	0.3
89.03916	3.8
91.05512	0.6
91.07619	0.3
97.02877	0.3
98.97589	9.1
99.08078	0.4
100.08395	0.3
102.09227	0.5
103.08734	0.6
104.07108	5.2
106.87655	0.3
116.98631	4.7
117.03384	17.6
118.03736	0.8
119.07057	1.1
119.11824	0.6
120.12135	0.5
121.06451	0.3
121.09747	5.0
125.09617	0.3
132.97931	0.3
134.03662	1.1
134.99673	1.7
135.04391	0.9
136.06166	0.5
145.02850	55.3
146.03175	2.9
147.03384	0.9
147.07643	0.3
149.05977	7.0
151.03909	0.3
151.07562	1.1
163.03882	0.9
172.94394	0.5
177.05473	100.0
178.04387	0.5
178.05818	4.3
179.05972	2.1
180.06493	0.4
186.05510	0.5
186.73444	0.3
190.95238	0.3
218.11679	0.3
227.64250	0.3
232.96355	0.6
250.13524	0.3
250.89287	0.4
256.96460	1.1
273.90820	0.4
274.97491	8.2
279.13400	15.9
279.15958	0.9
280.11664	0.5
292.98541	3.7
297.11288	0.5
297.14407	9.1
297.17279	0.9
297.98907	0.3
298.15033	0.4
299.06064	0.4
314.89902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96578	5.5
63.74976	1.1
67.05508	1.5
69.95726	1.0
70.31575	2.6
70.31899	1.3
79.05493	1.8
81.07064	1.6
95.04986	1.7
98.22707	1.6
98.97580	49.1
107.04927	2.0
116.98621	33.2
121.06454	1.3
134.99660	14.1
153.00694	1.8
190.95352	3.0
218.21188	2.1
232.96428	5.3
250.89375	1.2
250.97403	1.9
256.96320	6.1
274.97498	58.0
292.98569	29.5
297.16708	100.0
297.99152	4.3
298.17035	5.2
316.00043	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	6.1
59.75149	1.1
67.05504	1.6
69.20995	2.6
69.21403	4.3
74.77273	0.9
86.09692	1.3
93.28039	1.0
93.63047	0.9
95.04994	1.3
98.97591	47.0
116.98631	26.4
134.99683	10.8
136.06174	2.0
140.00198	1.2
158.01241	1.3
172.94360	2.7
184.07355	1.5
232.96413	3.8
256.96429	5.0
273.90939	2.0
274.97531	45.7
292.98581	23.4
297.06012	2.7
297.16724	100.0
297.99158	4.1
298.17123	4.1
307.00476	1.4
316.00415	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24049	2.7
53.03948	5.8
55.01875	12.5
55.05511	9.6
56.05013	2.3
56.96567	22.6
57.03438	19.5
59.05020	2.8
61.02921	12.6
63.87067	2.7
67.05511	22.0
69.03428	56.8
69.07065	11.7
71.01356	5.3
71.04994	12.4
72.08154	3.3
73.02913	10.5
79.05485	26.9
80.04066	2.9
81.03407	27.6
81.07054	49.4
83.05003	13.3
83.08617	3.6
85.02901	65.1
87.04476	6.8
91.05474	28.3
93.07047	89.3
95.04971	19.2
95.08607	33.4
97.02897	38.3
97.06512	8.7
98.97579	76.6
99.04458	21.2
103.03948	11.0
103.05429	3.6
105.04575	2.9
105.07029	55.2
107.04951	5.4
107.08589	95.6
109.02896	10.8
109.06480	12.3
109.10152	33.0
111.04458	9.8
115.03947	7.0
116.98616	58.1
117.07014	11.3
119.08572	29.4
121.06531	8.0
121.10153	64.1
123.04446	9.1
123.08059	7.4
123.11726	14.1
125.06017	6.3
127.03914	20.9
129.07007	7.6
130.07739	2.5
131.08583	19.8
133.04965	3.9
133.06494	6.2
133.10118	38.1
134.99663	22.8
135.08080	8.1
135.11687	100.0
136.06235	4.1
137.06050	4.5
137.09621	8.0
142.07825	3.9
143.08575	10.4
144.09238	3.5
145.04976	8.1
145.06445	3.2
145.10123	22.8
147.08038	6.5
147.11673	33.2
147.12712	3.2
149.09619	4.8
149.13261	8.0
151.11201	7.7
153.00705	3.2
153.12747	48.7
155.08513	4.2
157.10138	10.1
159.06532	2.5
159.08037	5.9
159.11685	19.8
161.04869	4.8
161.09627	5.9
161.13284	6.2
163.07512	2.5
163.11215	11.9
165.12788	9.0
169.10136	5.0
171.03287	2.7
171.11676	7.0
172.94464	3.3
173.09634	3.1
173.13261	5.4
175.11165	9.7
177.09145	3.9
177.12761	16.7
183.11691	3.6
187.11174	5.2
189.04355	9.3
189.12733	9.1
190.95287	4.4
193.12259	4.0
195.10226	2.6
201.12640	13.2
207.05386	8.1
207.13800	3.7
208.96313	3.0
211.03514	2.6
215.14328	9.1
217.12213	3.5
219.13870	8.7
225.06418	5.4
228.08958	2.8
231.13850	7.4
232.96400	9.2
233.15434	3.7
243.13914	10.7
246.10184	3.1
249.14920	4.6
250.89514	8.2
250.97385	2.9
256.96408	10.7
261.14807	20.8
273.90875	4.5
274.97485	94.3
279.15945	24.0
290.10925	2.4
292.98535	48.3
297.07681	8.4
297.13544	2.5
297.16901	60.8
297.99191	4.2
298.20090	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87202	1.4
53.03951	1.2
55.05518	3.5
58.89133	1.4
59.05004	2.9
67.05499	2.4
69.03433	8.7
69.07067	11.0
70.06578	1.9
70.13032	1.6
71.04968	1.4
71.74908	1.4
73.06577	1.9
75.04482	3.1
79.05500	2.7
81.07060	6.9
83.04990	1.6
83.08588	2.0
91.05442	1.7
93.07043	7.0
95.04948	2.1
95.08612	8.1
98.97594	18.2
99.08117	1.9
105.07023	3.9
107.08594	9.1
109.06502	3.0
109.10161	3.4
110.21629	1.5
115.07563	12.2
116.98623	9.6
119.08578	6.2
121.06507	7.8
121.10137	8.8
123.08071	10.9
123.11724	4.8
129.05515	2.4
131.08582	3.8
133.10143	3.2
134.99692	4.4
135.08049	28.8
135.11690	5.4
145.10135	7.4
147.11658	2.9
149.05939	2.0
149.09642	6.6
151.11191	2.5
159.08029	3.0
163.07524	13.2
163.11168	3.1
163.14819	2.8
164.08286	1.8
173.09647	2.7
173.13286	2.8
175.11165	4.1
176.12000	7.9
177.09154	4.9
181.15961	1.8
187.14830	4.1
191.14311	68.1
192.14600	3.9
195.10158	1.6
197.13254	3.0
197.29091	1.5
205.15887	13.3
215.14357	10.1
229.13266	1.6
233.15364	100.0
234.15775	4.1
247.17004	8.2
256.96594	2.4
265.18024	22.7
274.97546	17.6
279.19614	10.7
292.98468	9.6
297.20627	43.6
297.99084	2.8
298.20837	3.0
319.72647	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.05511	7.5
56.96571	7.2
57.07064	2.5
59.04984	2.2
59.45263	1.5
60.62767	1.4
67.05499	11.2
69.03426	5.2
69.07063	18.4
73.06546	1.8
75.04482	3.9
79.05486	9.0
80.94865	3.4
81.07054	18.5
83.04980	3.2
83.08604	4.1
85.06540	2.8
91.05464	4.6
93.07056	15.5
95.04955	3.9
95.08614	17.1
97.06516	3.3
97.10155	2.4
98.83179	1.6
98.97584	57.7
101.05985	2.9
105.07051	5.1
106.54630	1.4
107.08610	11.9
109.06515	3.4
109.10165	7.0
111.04411	1.6
111.11732	1.8
115.07584	5.3
116.98623	41.0
117.06974	2.3
119.08607	7.6
121.06515	8.4
121.10143	14.4
123.08079	7.2
123.11702	14.1
125.05984	2.0
131.08585	4.8
133.10117	6.3
134.99657	20.7
135.08058	25.5
135.11673	7.1
136.06230	2.4
136.08423	1.8
137.09648	1.9
137.13177	2.9
139.11157	3.7
140.00160	4.1
145.06483	1.7
145.10118	6.0
147.08110	2.4
147.11717	8.8
148.20761	1.5
149.09586	7.0
149.13226	4.1
158.01251	1.9
159.08049	4.2
161.09604	1.9
161.13242	1.6
163.07558	19.9
163.11136	2.7
163.14861	3.5
165.12770	3.0
172.94402	2.7
173.09549	2.2
173.13248	5.8
175.11182	2.3
175.14754	1.9
176.11957	5.0
177.09146	12.3
177.16393	1.8
183.92337	1.9
187.14816	8.7
190.95354	2.8
191.10664	2.7
191.14322	46.8
195.10175	1.7
197.13271	2.7
205.15897	9.1
215.14288	9.2
232.96449	4.7
233.15363	100.0
233.33264	1.6
234.15715	3.9
247.16904	4.8
250.97614	4.2
256.96478	9.4
261.22122	4.1
265.18005	17.8
274.97504	66.9
279.19629	7.0
279.23163	14.2
292.98529	36.2
297.20782	22.1
297.99069	7.0
316.00180	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	297.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	3.6
56.19001	1.6
56.96572	9.6
57.07076	2.2
59.05006	1.9
67.05494	3.4
67.50137	1.9
69.03424	6.2
69.07087	9.1
73.06552	2.9
75.04476	6.1
79.05515	3.0
80.94854	6.5
81.07066	6.0
85.06549	2.8
89.89996	2.5
91.05487	3.9
93.07043	7.3
93.96396	1.8
95.04947	3.1
95.08608	7.6
98.97584	67.7
99.27170	1.8
101.06017	3.1
105.07031	4.2
107.08590	10.3
109.06534	4.4
109.10146	4.0
115.07578	5.0
116.98623	47.6
117.05446	2.8
119.08598	5.8
120.90190	1.7
121.06543	5.5
121.10165	6.6
122.07259	2.7
123.08047	11.4
123.11723	12.4
125.05997	4.5
131.08566	3.0
133.10141	6.1
134.99640	17.4
135.08063	23.3
135.11719	5.7
137.05951	2.6
140.00218	4.9
145.10121	8.0
147.11728	7.9
149.09622	2.8
149.13248	3.3
153.14784	2.1
158.01189	2.3
159.08109	3.0
159.11639	2.2
163.07573	7.3
163.11235	2.2
163.14767	2.4
165.12747	5.2
173.13287	2.7
175.11208	2.4
175.14792	2.4
176.11960	7.2
177.09097	8.5
181.51321	1.9
187.14861	9.8
190.95432	3.1
191.14305	100.0
192.14636	5.4
197.13448	2.3
202.31993	1.9
205.15909	4.0
215.14384	9.8
232.96335	2.9
233.15372	30.6
244.34084	2.0
247.16948	8.2
250.97342	3.7
256.96390	10.1
265.18045	20.4
274.97482	65.3
279.19394	3.8
292.98569	39.0
297.20593	54.8
297.99133	7.2
316.00079	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	297.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.3
55.05506	6.0
56.96572	2.0
57.07082	2.7
58.06038	1.2
59.04995	4.0
67.05504	4.8
67.72131	1.5
69.03426	5.1
69.07068	12.5
69.30676	5.8
69.31094	2.4
73.02895	2.5
73.06544	1.9
75.04494	11.0
79.05489	3.4
81.07059	11.1
81.82738	1.3
83.04984	3.2
83.08600	2.1
85.06549	3.4
85.10193	1.3
91.05484	4.7
93.07038	8.4
95.04967	4.7
95.08616	10.1
97.02886	1.7
97.06573	1.4
98.97592	15.8
101.06049	1.8
105.07043	8.5
107.08601	15.4
109.06522	5.0
109.10131	4.4
111.08044	2.1
113.09647	2.5
115.07556	7.3
116.30059	1.4
116.98622	10.2
117.05521	2.8
117.06982	1.8
119.08605	9.3
121.06507	9.3
121.10149	10.3
122.07273	3.0
123.08100	12.3
123.11719	19.3
125.06018	3.3
129.05490	2.2
131.08583	6.2
133.10172	7.7
134.99663	4.5
135.08066	33.9
135.11688	6.5
136.06180	2.2
137.05972	3.4
137.09648	1.4
137.13210	3.0
144.24365	1.5
145.10129	8.0
147.08057	3.1
147.11687	11.3
149.09613	6.3
149.13235	3.7
151.07521	1.8
159.08064	3.2
159.11694	4.1
163.07573	16.8
163.11165	2.8
163.14792	2.9
165.09238	1.9
165.12781	5.6
173.09624	1.6
173.13246	6.0
175.11197	3.8
175.14871	2.6
176.11972	8.2
177.09154	10.5
187.14825	9.6
189.12851	1.5
191.14314	100.0
192.14688	3.4
195.10201	2.1
197.13332	3.3
205.15959	10.3
207.13776	2.6
215.14299	17.6
233.15379	77.2
234.15808	2.6
237.18631	1.9
247.16917	10.6
265.18015	23.8
274.97510	17.0
279.19608	6.1
279.22943	2.9
292.98557	7.8
297.20624	55.3
297.98911	1.7
298.21021	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	297.2428
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03959	2.2
55.01868	6.7
55.05264	2.2
55.05515	31.3
57.03433	6.1
57.07073	7.2
59.18698	1.4
67.05507	54.3
69.07072	72.4
69.07451	3.5
69.78733	5.1
71.04994	9.4
71.08623	3.6
73.06553	4.5
79.05495	39.4
81.07062	80.9
83.04997	12.1
83.08630	11.1
85.06537	5.3
91.05481	9.4
93.07051	53.3
94.07355	1.7
95.04968	2.2
95.08611	71.1
97.06530	18.2
97.10183	19.3
98.97596	13.8
99.08112	4.3
105.07035	6.0
107.08599	19.1
109.10159	27.6
111.11721	5.2
116.98639	4.4
119.08577	5.4
121.10148	44.4
122.10468	1.6
123.08073	2.1
123.11715	20.9
131.08589	7.4
133.10136	6.3
135.11667	10.1
137.13289	8.8
139.11180	22.7
145.10149	3.1
147.11676	5.4
149.09628	3.0
149.13248	6.7
151.11183	4.6
159.11688	4.6
161.13287	4.4
163.14822	2.0
165.12730	2.0
165.68758	1.4
167.10677	1.7
167.14264	3.1
170.46156	1.5
172.94371	1.7
173.13219	3.9
177.16351	2.5
180.32936	1.7
187.13242	5.5
187.14796	3.6
195.13899	2.2
203.12830	6.0
233.22635	1.9
243.21121	7.3
256.96411	2.0
261.22144	33.8
274.97556	8.9
279.23212	100.0
280.23602	3.3
288.91199	1.6
292.98541	4.7
297.24265	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2427
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.03947	4.0
53.40619	1.9
55.01621	3.6
55.01877	65.8
55.05510	34.5
57.03429	5.9
57.07081	14.3
62.06075	5.2
67.05508	57.5
68.05844	2.4
69.07069	100.0
69.24422	8.5
71.05005	6.7
71.08630	2.9
78.53409	2.0
79.05505	30.0
80.94870	3.2
81.07061	53.4
83.04987	18.9
83.08620	47.9
85.06551	2.3
85.10176	2.8
91.05482	10.4
93.07050	46.2
95.08611	55.8
97.06526	10.0
97.10175	10.3
98.97598	10.4
105.07034	7.1
107.08594	35.1
107.77803	1.9
109.06502	3.4
109.10152	28.9
111.08062	11.3
111.11759	2.7
113.09622	4.6
116.98598	3.1
117.07018	2.4
118.69220	2.2
119.08599	8.1
119.33022	1.9
121.10144	29.7
123.08097	2.3
123.11722	9.3
125.09635	4.9
131.08601	8.0
133.10129	6.9
135.08078	6.0
135.11717	27.1
136.06169	2.8
137.09631	2.9
137.13280	8.9
139.11263	2.5
145.10179	4.1
147.11670	3.5
149.09618	6.3
149.13269	12.1
151.11143	2.5
151.14854	5.7
153.09146	6.8
153.12744	65.1
154.13086	2.5
159.11641	2.7
163.11234	4.6
163.14803	5.1
165.16406	2.7
167.10692	5.9
173.11775	2.3
173.13269	2.9
177.12811	2.1
179.14236	2.6
181.12224	4.0
181.15822	3.4
195.13832	4.1
205.15863	2.0
219.21019	4.6
233.22610	15.3
243.21080	13.2
251.23798	9.6
261.22134	25.0
274.97537	7.3
279.23199	77.5
280.23602	5.4
292.98474	4.3
297.19098	3.4
297.23865	7.2
298.27588	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	298.097
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
53.00212	0.2
53.54906	0.2
61.01151	5.2
69.03425	0.4
70.84682	0.4
71.34078	0.2
75.02702	2.2
79.72321	0.2
87.43655	0.2
88.09959	0.2
94.04038	0.4
97.02908	1.6
98.97599	0.8
103.02168	0.3
115.72836	0.2
116.98611	0.3
119.03539	0.8
128.73853	0.2
133.46796	0.2
136.06183	100.0
137.04590	0.4
137.06519	0.9
145.03180	1.3
163.04230	1.6
179.33376	0.2
198.89825	0.2
274.97589	0.6
287.14523	0.2
292.98514	0.3
298.09686	4.3
299.09625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.05498	3.0
56.96567	11.7
60.04528	1.4
67.05497	3.8
67.71286	1.0
69.03429	3.5
69.07042	1.3
70.82334	2.5
71.04985	2.5
77.31063	1.0
79.05476	1.3
81.07059	4.1
83.04974	5.1
90.81226	1.2
91.05454	2.0
93.07085	2.1
95.04967	3.6
95.08607	5.2
97.74303	1.1
98.97582	84.0
99.04455	7.2
105.07029	7.0
107.04982	3.3
107.08572	3.7
109.02840	1.4
109.06524	3.7
109.10144	5.5
111.04439	11.3
111.08073	4.7
116.98621	56.2
117.07061	1.3
119.08560	3.6
121.06564	1.5
123.08079	3.6
125.09642	1.8
127.03906	26.6
130.93292	2.2
131.08536	2.5
133.06496	5.3
133.10100	1.5
134.99654	23.5
135.08064	4.4
136.06203	5.1
137.02274	1.3
137.05989	3.3
137.09616	11.7
140.00156	1.2
143.08585	3.3
145.10146	1.3
148.05128	2.2
151.07529	4.8
153.00677	1.9
153.09103	8.8
155.10692	2.9
156.09337	1.4
158.01254	2.0
159.08035	1.2
160.85463	1.2
161.05971	9.7
161.13243	1.5
161.55347	1.1
165.09076	2.2
166.09787	1.5
171.11668	3.9
172.94386	3.2
173.13281	2.4
175.07518	3.0
175.11172	1.5
179.07068	1.8
189.12764	4.3
190.95380	4.6
193.05043	1.3
195.06274	4.0
199.11203	4.5
199.40768	1.0
201.12759	4.2
203.10631	1.8
207.06529	3.3
213.07416	5.6
214.95352	2.5
217.12225	24.8
219.13898	1.3
227.10645	2.0
232.96367	6.9
233.11685	1.3
235.13310	1.6
245.11700	15.9
247.78821	1.2
250.97470	4.4
256.96417	11.5
258.33618	1.1
263.12775	23.3
263.15460	1.9
268.09671	9.2
269.10385	2.0
274.97501	100.0
275.97955	2.5
281.13818	15.8
292.98541	52.7
297.99161	5.1
298.10614	1.4
298.16724	1.3
298.20044	5.4
299.11078	30.9
299.14609	2.3
316.00122	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	298.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12616	1.9
51.94442	1.8
56.96556	4.9
57.07074	26.7
61.02925	5.2
63.04492	31.8
69.03422	5.5
70.74648	2.4
81.03407	3.6
85.02906	25.2
88.72591	2.2
97.02919	4.7
98.97582	41.1
109.02852	2.4
116.98623	19.4
118.01038	1.9
119.10694	100.0
127.03928	4.2
134.29576	2.2
134.99660	5.1
136.06175	4.0
145.04977	4.0
147.12216	1.6
172.94470	2.1
201.04016	6.1
232.96489	2.2
256.06104	3.3
256.96518	6.4
274.97458	38.4
292.98569	20.2
298.07004	7.0
298.20035	2.8
299.06827	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	298.2744
Annotation	Cassine
Peak:m/z	Relative Intensity
55.05260	0.7
55.05513	12.5
55.92899	0.5
56.04819	0.6
56.05036	6.8
56.54681	0.5
56.96556	0.6
57.07082	3.2
58.02950	2.3
60.04524	3.0
65.03936	1.3
66.61011	0.5
67.04220	0.6
67.05157	1.1
67.05505	16.7
68.05025	2.5
69.06706	1.0
69.07066	13.1
69.32612	2.3
70.95713	0.6
71.08617	1.4
72.04511	1.4
74.06061	1.8
77.03903	0.8
79.05486	10.3
80.05000	2.0
81.07059	14.7
82.06579	8.2
83.04960	0.8
83.08627	6.9
84.08138	0.9
85.10172	1.2
86.06057	2.9
91.05471	6.3
93.07043	6.8
94.06558	3.7
95.04963	1.2
95.07302	0.6
95.08608	11.5
96.08131	2.4
96.93445	0.5
97.06543	0.9
97.10162	2.8
98.06042	1.1
98.97596	3.2
100.07611	2.1
105.04533	0.8
105.07020	2.8
107.08573	3.1
108.08093	1.7
109.06543	0.6
109.10171	4.1
114.09155	0.6
116.98615	1.3
118.79773	0.6
119.08565	2.4
121.10148	3.3
122.09662	1.4
123.11728	1.4
133.10123	1.6
134.99643	1.1
135.11684	2.1
145.71964	0.6
173.19565	0.6
191.17924	1.0
237.53671	0.9
245.22659	0.9
250.25285	7.7
262.25342	3.2
274.97488	2.5
280.26340	100.0
281.26657	5.3
292.98428	1.0
298.27374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.2743
Annotation	4E,14Z-Sphingadiene
Peak:m/z	Relative Intensity
50.17291	0.5
53.03929	0.7
55.05257	0.7
55.05513	12.1
56.05037	4.6
57.07077	3.9
58.02972	2.6
60.04525	2.8
67.05161	1.0
67.05505	15.4
68.05022	2.5
69.07069	10.5
71.08630	1.4
72.04517	1.0
74.06075	1.5
79.05492	9.6
80.05021	1.8
81.03434	1.2
81.07057	12.7
82.06582	7.3
83.08623	5.7
86.06063	2.4
91.05490	5.8
93.07053	6.1
94.06573	2.9
95.04966	1.8
95.07366	0.8
95.08611	12.2
96.08120	1.7
97.06515	0.6
97.10161	3.2
98.06077	0.9
98.22713	1.3
98.97635	1.0
100.07614	2.5
105.07038	3.6
107.08578	2.9
108.08104	1.0
109.10149	4.7
110.09724	0.6
111.11716	0.9
112.07617	0.8
119.08571	3.5
121.10166	3.7
122.09663	1.7
123.11668	0.8
133.10130	1.9
135.11673	1.7
136.06142	1.3
147.11702	0.8
149.13295	0.7
161.13277	0.8
191.17859	1.1
245.22736	1.0
250.25331	6.8
262.25275	3.5
263.23706	1.0
274.97626	0.8
280.26346	100.0
281.26636	5.3
298.27307	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98378	0.3
71.46077	0.3
81.07072	0.4
84.45275	0.3
87.17348	0.3
91.05477	0.7
93.07024	0.6
95.04974	0.7
98.97583	1.3
100.61364	0.3
102.04694	1.9
103.05451	2.5
105.03349	0.5
105.07049	0.6
107.04952	5.3
107.36730	0.3
109.06462	0.3
116.98621	0.5
119.04985	0.3
119.08617	0.4
120.05716	1.1
121.10087	0.4
122.06008	4.8
123.04475	0.4
130.04129	3.0
131.03947	0.7
131.04919	11.8
132.05699	1.0
133.06464	0.6
134.06004	0.8
146.05978	0.5
147.04369	1.4
148.05188	7.2
149.05971	24.5
149.09601	0.5
150.05482	0.6
150.06693	1.6
161.13496	0.4
162.05490	11.7
163.06270	1.0
164.07150	0.3
167.08572	0.5
175.06271	6.6
176.07037	1.2
178.07690	0.5
179.08519	1.3
181.06400	1.8
193.07303	0.3
194.07263	3.4
195.08020	2.6
196.08838	2.9
197.05870	0.4
197.09544	0.7
207.08080	1.7
213.05243	0.3
222.06741	2.8
222.09093	2.7
223.07536	3.1
224.08307	6.4
225.06886	0.7
225.09102	14.1
226.06250	0.5
226.09457	0.6
227.07037	1.2
237.07730	0.4
239.06982	0.5
240.07843	11.2
240.10095	0.8
241.08598	9.2
242.09360	3.7
250.08563	1.8
251.07031	0.6
251.09335	2.3
252.10188	8.5
253.07321	1.2
254.08031	0.5
266.08127	1.1
267.08823	1.0
268.09665	100.0
269.10431	54.7
270.10901	2.3
272.10513	0.4
275.97800	0.6
282.20596	0.4
284.09088	1.6
293.98828	0.4
299.05508	0.4
299.10217	8.0
300.12296	1.7
300.21545	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98378	0.8
56.96558	2.5
59.39511	0.9
67.05499	2.1
69.03416	1.2
69.17429	4.3
69.17825	2.2
84.46298	0.9
91.05487	1.0
95.04960	1.0
95.08604	1.1
98.97589	9.7
99.97915	2.2
102.48612	1.1
116.98627	5.7
117.98892	1.7
127.03674	2.5
134.99677	2.6
139.03915	2.3
143.03238	1.0
161.06024	1.5
169.23474	0.9
195.06302	13.0
195.53008	1.0
207.24670	0.9
213.07338	24.2
214.07607	1.0
250.77818	1.0
252.96390	1.8
253.19499	1.8
258.99860	1.1
267.12125	1.8
274.97571	1.8
275.97836	7.6
276.97580	1.3
277.00732	1.2
292.98624	1.2
293.98831	4.4
299.11035	100.0
300.11911	4.9
308.31186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1466
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36226	0.5
56.96573	1.0
57.52372	0.5
67.05482	0.8
69.33074	1.7
78.77966	0.5
88.06796	0.6
91.05490	0.7
94.64468	0.5
94.66119	0.5
98.23603	0.6
98.97581	4.8
99.97910	1.3
102.33109	0.5
105.48131	0.5
107.08606	0.5
116.98625	3.4
117.54828	0.6
117.98962	0.8
134.99629	2.1
136.06184	0.7
252.96622	0.8
256.18027	0.7
258.99982	0.6
274.97458	1.2
275.97864	4.1
276.97333	0.7
291.52423	0.5
293.98849	1.6
299.14648	100.0
300.14932	3.5
308.13052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50533	0.4
69.07078	0.5
71.89301	0.5
79.93288	0.5
80.94860	0.4
81.07075	0.6
95.33826	0.5
98.97587	5.1
99.97920	1.2
116.98616	3.2
117.98907	0.6
133.45935	0.5
134.99680	1.5
188.08928	0.5
252.96494	0.9
274.97430	1.1
275.97775	3.2
277.00897	0.5
292.98553	0.8
293.98935	2.2
299.14658	100.0
300.14902	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	299.2008
Annotation	Totarolenone
Peak:m/z	Relative Intensity
53.59805	0.8
54.13604	1.1
55.05505	2.4
56.86185	0.9
56.89532	0.9
56.96548	1.8
57.07072	1.2
67.05470	2.2
69.07072	1.9
70.08768	2.7
78.75592	0.9
79.05493	2.9
81.07062	2.6
83.04972	1.2
83.08626	2.5
89.06063	1.3
91.04937	1.8
91.05486	27.4
93.07043	4.0
94.38853	0.9
95.04989	2.2
95.08606	4.4
98.22707	1.3
98.97578	10.4
99.97918	2.0
104.70182	0.9
105.07037	12.3
107.08614	6.9
109.10156	2.6
115.05470	2.2
116.06242	5.6
116.87649	1.1
116.98608	6.6
117.06953	2.0
117.98949	1.8
119.04932	5.8
119.08605	9.2
120.70663	0.8
121.06494	1.1
121.10138	6.5
123.08052	1.4
125.09617	2.6
129.07013	7.6
131.08568	38.6
133.06444	1.2
133.10126	2.7
134.99651	3.3
135.08070	1.7
137.47737	1.0
142.07785	1.1
143.08563	1.9
145.10123	2.9
147.08073	1.2
149.09618	4.6
149.19366	1.0
155.08496	1.3
156.09398	2.5
157.10214	4.5
159.08055	100.0
160.08455	2.0
161.09650	2.5
169.10146	2.1
171.11707	3.0
175.11166	1.1
177.69795	1.1
181.10056	1.4
183.11655	1.7
185.09671	1.3
187.11241	1.8
189.12756	3.0
193.10126	1.0
197.13295	2.6
199.11115	4.4
201.12849	1.7
207.11723	2.0
210.10266	1.7
221.13309	1.3
223.14769	1.7
225.12785	2.4
233.13455	1.4
243.13780	1.3
252.96283	1.5
257.19003	2.2
263.17984	2.7
274.97421	1.8
275.97797	7.7
276.97470	1.1
281.19003	20.2
292.98502	2.3
293.98993	4.7
299.12894	1.2
299.16745	2.2
299.20071	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.0241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96232	1.0
53.03960	0.9
56.96569	9.4
61.02955	1.2
61.45518	0.8
64.61066	0.9
69.03424	1.6
69.70986	3.1
70.06590	2.3
70.30920	0.9
70.95869	2.8
70.99854	1.0
72.08159	2.2
77.42475	1.0
79.84193	0.9
81.03401	1.0
82.54530	0.9
84.08149	2.0
85.02901	3.7
86.09743	1.6
91.05473	6.6
93.07045	7.5
95.04978	1.2
97.02920	1.6
98.97585	100.0
99.04483	1.3
101.00893	3.5
103.05449	5.7
105.31889	0.9
108.32420	0.9
108.51065	0.8
116.98627	63.3
119.01945	10.5
121.01696	1.5
121.06509	91.7
122.06829	1.0
125.39411	1.0
133.03432	6.1
134.99664	22.8
137.02942	1.9
137.06015	3.8
138.05511	3.5
138.06503	0.9
138.09154	10.3
140.00192	1.8
140.05695	1.7
144.06593	1.8
150.09142	1.3
151.04623	1.0
153.00697	2.6
156.99802	1.2
161.03023	1.2
162.07678	1.1
163.03908	3.9
168.05203	6.3
175.00851	11.8
175.97675	1.0
177.00984	11.1
178.01009	3.0
179.00729	3.0
180.97507	1.8
183.90210	1.0
189.02531	1.4
192.94760	2.9
193.01831	2.2
193.98888	1.6
198.98529	4.7
199.00815	1.1
203.02559	1.4
204.02626	4.1
205.00467	1.5
210.95815	4.7
214.09418	1.2
216.98984	1.2
216.99655	1.2
217.01907	14.4
217.95441	1.0
219.02026	16.5
220.02159	3.2
221.01839	1.3
232.00375	1.2
233.03586	7.5
234.95795	5.1
234.99779	1.4
235.00621	1.6
235.02922	11.1
240.98575	6.3
244.02844	0.9
246.03792	1.7
252.96996	4.7
257.97623	4.3
258.99667	71.8
259.99911	2.9
262.02997	2.0
263.02890	7.9
264.12332	1.7
267.95654	1.2
268.09738	1.7
273.03168	4.5
275.99420	3.8
276.96927	16.0
277.00842	74.7
278.01031	4.2
282.01337	1.9
282.13358	34.8
283.00000	1.9
283.08109	1.7
291.60303	1.1
294.98044	7.8
295.01694	1.6
299.98538	6.3
300.02109	1.8
300.10138	4.5
300.14459	8.8
300.17557	1.6
300.97684	2.4
301.02829	10.9
317.99023	2.8
318.09012	2.1
318.19012	1.5
319.03635	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	300.0243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89486	0.7
56.96568	5.1
70.52356	1.5
76.76736	0.8
83.02058	0.8
98.97583	100.0
116.98623	34.3
122.29472	0.9
134.99651	6.5
154.28676	0.8
179.00758	0.9
181.97366	1.0
216.98613	1.0
219.01923	2.1
234.96030	1.2
240.98573	5.1
252.97168	0.8
258.99765	61.2
259.99905	2.2
263.02881	3.2
275.97827	1.5
276.97534	3.1
277.00812	68.4
278.00870	2.5
282.99966	2.0
294.98056	1.3
299.97971	2.1
300.10083	1.1
300.97672	1.0
301.00867	1.5
317.98880	3.2
318.98615	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	3.0
57.03426	4.9
57.74279	0.9
59.05006	50.9
61.02930	1.3
61.79520	1.0
69.03438	4.0
69.71309	3.4
71.04996	1.1
73.02930	2.8
73.98544	1.0
75.04483	15.4
82.06598	0.9
85.02918	11.8
88.11283	0.9
89.06029	21.6
91.03969	1.0
91.05486	9.0
93.07032	2.9
95.04977	1.2
97.02899	3.1
98.97588	16.3
103.05484	2.0
103.07587	17.5
107.04928	1.6
109.02910	1.5
116.98626	9.2
119.04954	6.0
120.08145	0.9
121.06531	26.7
121.08626	100.0
127.03906	2.1
134.99687	3.7
135.04333	1.2
137.05988	63.6
137.54041	0.9
138.06325	0.9
138.09149	5.2
145.04976	1.8
146.06018	2.4
154.08623	2.6
180.08685	3.6
222.09192	3.7
240.10132	1.4
240.12302	1.9
250.08650	3.0
251.09424	3.3
252.96751	0.9
258.99799	7.5
267.08835	1.5
268.09711	25.8
269.10092	1.6
272.09229	1.2
276.97171	3.0
277.00830	10.1
282.13391	3.7
284.09128	1.4
294.98297	1.4
300.05228	1.3
300.09097	1.5
300.11945	3.8
300.14453	6.9
300.17532	1.3
301.11813	4.3
320.07062	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1806
Annotation	Isolycopsamine
Peak:m/z	Relative Intensity
55.05500	0.3
61.53843	0.2
62.47221	0.2
67.05492	0.2
68.05022	0.4
70.06580	0.6
73.06547	0.6
75.87124	0.2
79.05507	0.3
80.05013	1.3
81.05772	0.4
81.07044	0.7
82.06575	0.4
84.08133	0.6
86.06079	2.5
86.09692	0.3
89.06027	0.8
91.05469	0.5
93.05818	0.3
93.07021	0.4
94.06578	0.5
95.04939	0.3
96.08126	2.4
98.97572	1.1
108.08102	2.0
109.08925	1.2
110.06031	1.0
110.09699	1.9
111.06835	1.2
116.98604	0.8
117.09171	0.3
120.08099	11.4
121.08902	3.7
122.09667	9.6
124.07614	1.7
126.09161	0.7
133.08571	0.4
134.99651	0.3
136.06183	2.9
138.09135	3.3
138.48592	0.2
139.09917	14.5
140.10402	0.2
155.07086	0.2
156.10197	47.7
157.10516	0.7
181.04910	0.3
210.14903	1.7
255.11479	0.3
256.15421	1.2
258.99796	0.4
276.97495	0.4
277.00842	0.8
282.16922	0.6
283.17444	0.5
294.98276	0.3
300.18042	100.0
301.15106	4.1
301.18396	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	300.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.0
55.01867	3.9
55.05511	7.2
56.05024	1.7
57.03439	5.8
57.07070	2.2
58.02956	1.9
58.06593	2.0
65.03948	1.5
67.05161	1.4
67.05508	26.0
69.03397	2.0
69.07059	4.3
69.79626	1.0
70.06593	11.7
71.04999	20.4
72.04523	7.0
72.08154	4.2
79.05499	26.1
80.05048	1.4
81.03429	2.2
81.07059	33.7
81.55566	1.0
82.06580	2.8
83.04976	9.7
83.08617	1.5
84.08127	2.3
85.02888	1.6
85.06548	7.1
86.06051	4.7
86.06520	1.1
86.09712	1.5
89.06030	2.7
91.05485	19.9
91.35996	0.9
93.07053	18.1
94.06558	3.9
94.16789	0.9
95.04989	7.6
95.08610	13.8
96.08119	4.0
97.06538	8.1
98.09681	4.0
98.23453	3.7
98.97562	1.7
99.04424	1.2
100.07599	1.3
100.11249	4.5
104.34742	1.1
105.04509	1.8
105.07034	17.2
107.04945	3.4
107.08588	8.2
108.08128	2.8
109.06525	9.3
109.10147	3.3
110.09703	1.3
111.04456	1.9
111.08053	2.7
112.07598	2.5
112.11247	1.1
113.06025	1.3
114.09170	13.3
116.98599	1.3
117.07013	6.9
119.08566	10.0
120.08109	1.3
121.06467	4.8
121.10144	6.1
122.09679	5.4
123.08080	9.7
124.11266	1.2
125.09620	1.2
126.09151	4.1
127.07562	3.8
129.06999	4.1
130.08630	6.9
131.08562	9.9
133.08693	1.1
133.10130	6.0
135.08092	1.8
135.11743	2.0
136.06177	5.3
136.11198	8.5
137.09592	7.5
138.12759	3.4
140.10748	2.8
142.08649	3.2
142.12271	3.3
143.08572	3.1
145.10168	6.1
146.09586	1.2
147.08008	2.4
147.11671	2.8
148.11212	2.0
149.09607	3.8
150.12764	1.9
151.11189	1.4
155.08545	2.1
156.13814	2.4
157.10136	2.3
159.11661	3.5
159.14981	2.3
161.09581	4.5
161.11964	1.6
165.09180	1.4
166.12305	2.1
167.10683	1.8
168.13835	2.0
169.10130	2.6
173.13249	1.9
175.11221	2.2
177.12746	1.2
178.12216	1.5
184.13348	2.8
185.13316	1.7
191.14265	1.1
211.14818	2.1
214.14470	1.1
216.17546	1.7
228.85609	1.1
229.15849	3.5
246.18594	7.4
247.17024	3.8
264.19592	28.6
268.09738	1.1
269.18698	2.5
282.20642	28.6
283.17645	1.7
300.08911	1.6
300.12305	2.3
300.21695	100.0
301.15079	1.6
301.21973	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	300.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.3
55.05501	6.3
56.05024	2.6
56.96545	2.0
57.03416	1.5
57.07071	3.2
60.04527	48.0
67.05505	30.4
69.07072	2.7
69.46921	1.5
69.47479	1.3
69.77794	3.2
69.78178	2.7
70.06582	6.8
71.04996	14.6
79.05492	16.5
81.03400	1.8
81.07056	14.6
82.06564	1.8
83.04967	2.2
84.08154	2.6
85.06551	8.6
89.06023	3.8
91.05484	18.8
93.07036	12.6
93.84759	1.9
94.06573	2.5
95.04955	7.0
95.08620	8.4
96.08105	3.3
97.06525	2.9
98.97562	9.2
100.07599	2.3
105.07043	10.7
106.65781	1.3
107.04939	4.6
107.08595	7.7
108.08118	2.2
109.06509	5.9
109.10134	2.0
113.05991	3.6
116.98619	6.8
117.07009	7.8
119.08607	13.2
121.06508	4.1
121.10149	6.3
123.08086	3.7
127.07549	2.5
129.06976	3.1
131.08507	4.1
133.08638	2.1
133.10114	5.9
134.05957	1.6
134.99644	2.6
135.08043	3.8
135.11687	4.3
136.11238	4.5
139.08566	2.2
140.10698	1.9
143.08577	4.8
145.10109	3.0
147.11676	2.9
149.09589	2.2
157.07616	4.0
157.10144	2.6
159.11722	2.9
161.09607	2.5
163.11212	2.6
165.01991	1.5
173.09660	1.8
175.08704	1.9
185.13281	2.1
191.10770	1.9
191.14374	1.8
200.42682	1.6
203.14268	3.6
221.15430	3.3
235.16827	1.6
239.07240	1.7
239.16423	9.2
246.18530	2.4
255.11108	1.5
257.17490	3.1
258.99802	5.3
264.19556	6.7
276.97675	2.2
277.00870	3.9
282.12396	6.0
282.17874	2.5
282.20657	24.1
283.08057	1.7
284.09131	2.6
285.07559	4.3
294.98453	1.9
300.06027	4.0
300.09192	2.5
300.13364	3.1
300.21683	100.0
301.11502	3.5
301.22043	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18041	0.6
58.76271	0.5
70.38550	0.6
70.73201	1.2
70.74332	0.6
73.23295	0.6
80.09431	0.5
81.04133	0.6
81.04533	3.7
85.02918	1.9
94.93020	100.0
96.92854	0.7
98.97565	0.7
99.14693	0.7
112.89616	9.1
114.89357	3.8
116.89223	0.6
119.01943	1.6
120.96649	1.7
121.06513	8.7
122.07012	2.6
131.01926	1.4
133.03456	0.6
136.94031	1.3
137.05954	1.0
138.09160	1.2
139.00841	0.7
139.05016	1.3
140.03365	0.8
140.08192	10.1
145.00795	1.5
147.69743	0.6
151.00798	0.8
156.97499	3.1
159.58186	0.6
160.01349	1.0
160.94028	7.6
161.94810	2.7
173.02936	0.9
174.98636	1.5
180.97485	20.9
181.97614	0.9
192.97545	3.8
195.91563	0.6
196.85825	0.7
198.98553	28.5
199.98755	0.7
205.54001	0.5
210.98578	8.6
216.90695	3.1
216.99683	4.8
218.92245	18.5
219.01991	0.7
222.00093	0.9
226.86742	7.1
228.99614	4.2
240.99620	2.6
241.88118	0.6
243.89395	4.1
244.90182	24.2
258.99872	0.9
282.13489	1.5
282.96231	0.7
283.13736	0.9
300.86813	67.9
300.97357	1.3
301.01797	2.9
301.14417	1.0
301.87170	1.7
302.13507	9.6
320.96045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.15433	0.2
55.05489	0.3
60.04510	0.2
67.05513	1.2
70.06577	0.4
71.04964	0.2
71.46413	0.3
79.05463	0.6
81.07059	1.8
86.09676	0.3
91.05453	0.5
93.07015	0.5
95.08571	0.8
98.97565	0.5
105.07003	0.5
107.08569	0.5
116.98560	0.3
117.07084	0.3
121.06479	0.2
121.10127	0.3
123.11632	0.4
134.99539	0.3
137.05939	0.3
145.10126	0.3
147.04388	0.3
147.11610	0.3
152.49251	0.2
153.01866	1.2
217.04935	0.6
229.04942	1.5
245.04410	0.7
257.04343	0.4
258.05234	40.4
259.05750	1.5
273.03845	0.6
278.97012	0.2
284.22177	0.3
286.04715	53.4
287.05057	2.1
300.21753	0.7
301.07053	100.0
302.04001	0.6
302.07339	5.2
302.23141	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0709
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
53.03938	0.5
55.05497	1.7
67.05497	1.5
69.07059	1.3
69.37926	2.5
79.05488	1.8
81.07069	3.1
83.08626	1.1
83.71925	0.6
91.05465	1.3
93.07025	3.0
95.08609	3.1
97.06474	0.7
97.10171	0.6
98.97561	2.3
105.07024	3.2
107.08591	2.3
109.10158	2.3
116.60776	0.5
116.98607	1.3
117.07063	0.5
119.08577	1.9
121.10146	1.3
123.11717	0.9
131.08545	1.0
133.10124	1.5
135.11713	0.9
139.95908	0.5
143.08556	0.6
145.10123	2.7
147.11685	1.0
149.13275	1.2
153.01825	0.8
157.10103	0.9
159.07971	0.7
159.11655	1.2
161.13269	0.5
171.11697	1.1
173.13268	1.4
175.14836	0.7
185.13202	0.9
199.14847	0.9
229.04948	1.6
255.21049	2.4
257.04440	0.6
258.05249	35.7
259.05573	1.3
278.96875	1.0
283.20554	1.7
286.04721	48.7
287.05112	2.0
301.07068	100.0
301.21542	6.4
302.07416	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	301.105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61924	8.9
56.96555	25.1
57.66379	11.3
58.23370	9.3
67.05499	11.5
69.13065	46.9
81.07016	15.0
83.58624	9.0
93.02696	9.1
98.97588	52.6
102.99274	9.3
116.98617	38.6
140.64674	9.0
152.93755	9.9
164.49634	11.3
171.03336	24.5
183.03230	13.5
189.04349	32.2
195.90045	8.4
227.05882	70.0
243.69687	10.9
245.07013	100.0
263.08087	50.9
278.96802	18.2
296.97885	12.6
301.06781	14.2
301.09775	71.7
301.13931	64.6
319.10660	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1184
Annotation	5-Nitro-2-(3-phenylpropylamino)benzoic acid
Peak:m/z	Relative Intensity
65.03935	1.9
67.05524	1.1
69.14925	2.0
71.32418	0.3
79.05510	0.6
80.05052	0.3
82.02943	0.4
82.06598	0.4
86.09192	0.3
91.05525	0.6
92.05000	2.5
92.05393	0.2
93.03494	0.3
93.07075	0.7
94.06611	0.9
95.04997	0.3
95.08672	0.3
98.22677	0.5
98.97594	0.6
105.07035	0.6
106.06624	0.3
107.08612	0.4
108.08142	0.5
110.06059	0.4
116.98664	0.7
118.06562	0.3
120.04478	2.8
120.97899	0.3
122.06034	1.7
128.06253	0.6
129.07034	0.6
131.08652	0.4
134.06009	0.6
136.07600	2.4
141.07018	0.6
142.06589	0.3
143.08524	0.3
144.08090	1.0
146.06059	0.3
148.03944	0.9
154.06537	0.7
154.07788	0.7
155.07343	0.4
155.08539	0.5
156.08116	0.9
157.07643	0.4
157.10057	0.4
158.09692	0.5
160.07680	0.3
162.05473	1.7
165.07002	0.9
167.07309	2.2
167.08537	0.6
168.08076	1.8
169.07619	0.8
169.08875	1.3
169.10150	0.6
170.08395	1.6
170.09689	0.8
171.09117	0.4
171.10464	0.6
172.07571	0.9
173.07092	0.8
174.09129	0.6
181.08934	0.6
182.09662	3.4
183.06790	0.4
183.09096	1.9
184.07605	0.9
184.09846	2.6
184.11423	1.5
185.07077	0.6
185.10687	1.4
186.09171	0.6
187.08656	2.6
192.08067	0.4
194.09695	0.5
194.18729	0.3
195.06778	0.7
196.07567	1.1
197.06877	2.7
197.08495	1.0
197.10716	0.5
198.07632	2.7
198.09245	1.1
198.11685	0.3
199.08673	1.1
199.12300	6.4
200.10661	0.6
209.10727	0.9
210.07173	0.4
210.09145	7.7
211.08611	5.3
212.09251	10.9
212.11153	0.8
213.06670	0.6
213.10124	4.9
213.46851	0.4
214.10896	0.4
222.07803	0.5
223.08609	0.6
225.06567	2.8
225.10252	1.2
226.07329	4.0
226.10971	0.6
227.08133	1.2
227.11781	29.1
228.10152	0.5
228.12190	1.1
237.10231	3.0
238.08600	2.1
239.08089	2.5
240.08884	13.5
241.09700	16.0
242.09988	0.8
253.09708	0.9
254.10506	1.2
255.11275	100.0
256.11618	4.5
257.12863	3.1
273.12305	0.8
283.10776	21.7
284.11130	1.2
296.97916	0.4
301.11789	23.4
302.12167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1412
Annotation	abacavir carboxylate
Peak:m/z	Relative Intensity
54.88871	0.7
55.05498	1.3
57.07071	1.5
57.25168	0.8
66.35717	0.7
67.05490	1.4
69.33985	3.1
70.06580	3.5
70.30196	0.7
72.08176	0.8
79.05503	0.8
80.91755	0.8
88.07629	2.3
93.07027	1.1
98.97581	4.0
105.07024	1.0
109.10165	0.9
116.98614	2.4
117.06972	0.8
119.08571	0.9
120.97947	0.9
132.10172	1.8
146.11766	0.9
161.13542	0.8
238.17899	0.9
240.20964	0.8
240.23167	1.7
254.96286	0.9
256.26361	1.2
278.96915	1.1
300.28973	13.7
301.14111	100.0
301.29288	8.2
302.14505	4.4
302.26944	3.4
302.30234	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	15.5
57.36943	1.0
69.03403	1.3
69.85989	1.6
69.86314	1.8
70.06578	1.1
70.29398	0.9
71.88544	1.2
72.04922	0.9
75.98473	0.9
81.03406	1.5
81.04540	2.7
84.08168	0.9
85.02889	2.1
86.09666	1.1
89.04472	1.0
91.05482	2.9
93.07060	4.9
94.07359	1.3
95.04996	1.9
97.71931	0.9
98.97585	96.0
99.97936	3.9
102.96893	2.0
103.05461	2.9
116.98626	66.6
117.98975	2.3
119.01917	3.7
120.97825	1.5
121.06509	100.0
122.06850	10.3
131.01961	0.9
134.99666	27.8
137.06018	1.6
138.09146	22.4
139.05052	1.3
139.09485	1.1
140.03426	2.3
140.07129	2.2
140.08202	8.6
150.05519	3.3
153.00728	2.6
155.01874	2.0
156.97574	1.7
158.01329	1.3
158.99725	1.1
161.03021	1.7
164.07042	1.2
168.08105	1.0
173.03050	1.6
174.98695	1.3
176.97472	1.8
177.00984	8.7
180.97574	6.9
190.95358	1.4
192.79456	0.9
194.98541	1.9
198.98616	16.3
199.98688	1.4
201.00935	1.2
210.09331	1.4
210.98561	1.4
214.04929	1.3
216.98854	8.5
218.02165	1.4
219.01994	18.8
220.02081	3.1
221.01950	1.4
228.10184	2.5
228.99564	1.1
232.96402	2.1
232.99931	2.8
233.03592	10.3
234.99783	3.6
236.03278	1.8
236.95631	1.1
240.98883	4.1
241.99011	1.6
243.02034	2.0
251.01192	1.9
254.96146	3.9
256.09766	1.8
256.14288	1.5
258.99643	36.9
259.99921	25.9
260.09866	1.8
260.99728	8.6
261.02997	13.1
264.79034	1.1
266.08157	2.1
270.99921	1.8
272.09180	1.1
273.03009	3.2
273.12149	1.3
277.00766	37.0
277.10657	2.1
277.97333	3.0
278.00949	31.2
278.96884	7.4
279.00580	8.1
283.10760	2.5
283.13705	6.2
284.09042	7.9
296.97971	4.4
300.02197	1.3
300.97818	3.0
301.02362	11.7
301.08890	9.3
301.11871	10.0
301.14828	1.5
302.02585	1.6
302.05707	2.9
302.13290	5.3
318.98599	3.7
319.03989	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	301.2168
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
53.03936	2.1
55.05514	44.4
56.96592	1.9
57.07074	3.6
58.99584	2.8
60.04520	2.8
65.03966	2.1
67.05507	25.1
69.03436	4.6
69.07069	27.3
69.22524	12.3
71.04995	4.1
79.05497	30.3
81.07055	60.1
83.08619	37.8
86.09709	44.1
87.01646	1.9
91.05491	21.0
93.07043	45.4
95.04982	6.3
95.08608	49.1
97.06528	15.7
97.10161	5.7
98.97574	6.7
102.96865	2.7
105.03386	2.0
105.07029	49.6
107.04986	5.3
107.08591	49.0
107.09128	1.3
109.06526	5.7
109.10149	32.6
111.08090	9.4
116.98613	4.1
117.07024	6.0
119.08585	35.2
121.06523	6.0
121.10143	31.0
123.11674	12.1
125.06017	16.5
125.09637	2.7
128.06235	2.4
128.10727	24.0
129.07031	2.1
130.07799	2.3
131.08568	16.9
131.59308	1.8
133.02846	2.7
133.06508	3.6
133.10117	22.3
134.99701	2.0
135.08060	4.7
135.11705	12.7
137.05972	5.1
137.13303	3.1
141.06969	2.2
142.07718	3.2
143.08549	8.9
144.09329	2.3
145.10123	29.7
147.08052	2.8
147.11688	23.0
149.13245	20.4
151.07568	3.5
156.09277	2.3
157.10164	12.6
159.08067	4.7
159.11691	22.7
161.09676	3.2
161.13251	17.0
163.14772	4.3
165.05559	4.3
169.10161	2.9
170.11772	42.2
171.11693	13.8
173.09615	5.6
173.13255	18.0
175.11180	7.5
175.14783	9.8
177.09061	3.2
177.16368	7.4
183.11696	3.5
185.13229	12.1
187.11232	2.2
187.14809	5.8
189.12685	2.9
191.10738	4.9
195.11809	2.0
197.08136	4.8
199.11197	3.0
199.14955	10.7
199.16547	2.2
201.12659	2.6
203.14345	3.6
205.12248	4.8
213.12769	3.5
213.16315	4.3
215.14391	2.3
223.14693	2.1
227.11844	2.5
227.14233	3.4
227.17786	3.5
229.19484	16.1
231.13686	3.1
245.15344	4.5
255.11278	6.2
255.21095	25.9
257.82068	2.0
265.19635	2.8
271.20621	3.5
273.22263	10.6
278.96762	3.6
283.20496	16.4
296.97919	2.4
301.11014	3.7
301.14090	10.3
301.21609	100.0
302.21909	7.0
307.05652	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	301.2163
Annotation	3,11-Dioxo-labda-8(17),13(16),14-triene
Peak:m/z	Relative Intensity
55.01876	3.5
55.05511	9.6
57.07063	2.2
58.36008	2.5
58.74811	2.1
65.32818	2.0
67.05158	4.2
67.05503	58.3
69.03420	5.6
69.07072	19.4
71.05003	2.9
71.11218	2.5
76.84908	2.2
79.05489	7.8
80.02291	2.0
81.07058	35.7
91.05499	15.6
93.07051	25.9
94.06648	2.1
95.04968	28.6
95.08611	24.4
97.06544	5.2
101.45152	2.2
105.07043	14.2
107.04981	3.5
107.08592	46.4
109.06512	16.1
109.10154	90.2
117.07028	4.8
119.08582	66.3
121.06510	5.6
121.10188	9.8
122.07288	4.3
123.08058	23.0
123.11703	5.0
131.08575	6.3
133.10167	11.9
133.11028	2.4
135.08070	34.3
135.11716	7.2
136.94025	4.5
137.09612	71.2
138.09978	4.1
143.08536	4.7
145.10130	9.7
147.08096	2.7
147.11713	5.7
149.09613	6.1
151.07521	2.4
157.10136	4.7
159.11678	7.0
161.09602	10.7
161.13281	6.3
163.11188	3.8
165.12775	7.1
169.10086	3.4
171.11636	4.1
173.13280	5.9
175.11261	2.7
175.14851	2.7
176.12000	4.0
189.12814	3.4
191.14304	99.6
193.15739	2.4
193.46414	2.3
203.14217	2.5
204.63271	2.0
205.15932	8.5
207.13846	3.2
217.15825	5.2
218.14876	2.9
221.15408	5.1
227.14322	2.8
263.39392	2.2
283.20593	8.4
301.21634	100.0
302.21948	3.3
302.30545	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	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05509	12.4
57.07079	7.4
63.66924	1.3
65.03937	1.8
67.05498	11.8
69.07069	14.6
69.89856	3.3
70.06589	7.9
71.08631	3.4
79.05495	19.1
81.07058	33.8
83.08618	6.0
84.28742	1.2
88.07629	7.9
91.05464	12.2
93.07046	23.3
95.04975	2.5
95.08606	28.7
95.87930	1.6
97.06541	3.3
97.10159	4.0
98.23403	1.9
98.97557	1.8
102.09196	2.3
105.07034	21.6
106.08670	3.9
107.04974	1.8
107.08592	27.6
109.06515	2.3
109.10157	20.1
115.28520	1.4
117.07010	7.0
119.08576	30.2
121.10140	21.2
123.11717	5.3
125.05990	20.7
129.06995	4.6
131.08553	10.7
133.10136	24.4
135.11716	6.8
137.05986	1.9
137.13257	1.5
137.56799	1.4
139.07521	2.7
143.08562	8.9
145.10129	18.9
147.08153	1.4
147.11667	13.3
147.12608	1.6
149.05962	2.4
149.13242	10.4
151.07555	4.0
153.09167	2.2
155.08516	1.8
157.10135	9.8
159.08116	2.1
159.11693	17.7
161.09647	3.0
161.13234	8.2
163.07547	4.0
163.14848	15.2
165.09143	3.0
169.10106	1.6
171.11688	9.4
173.09688	3.7
173.13248	19.7
175.11232	2.8
175.14835	6.1
177.09149	3.6
177.16402	7.3
185.09528	2.3
185.13275	9.5
187.11192	2.7
187.14781	5.5
189.09081	2.6
189.16364	24.2
191.10703	8.7
195.11772	1.4
199.11208	1.7
199.14819	11.5
201.12993	1.4
201.16418	5.4
203.10631	4.1
205.12279	5.9
209.13271	1.8
213.12758	3.5
213.16422	6.0
215.17957	3.4
217.12218	7.6
219.13872	5.0
227.14336	4.3
227.17818	1.9
229.19540	3.7
231.13820	8.2
241.16016	1.7
245.15366	9.6
255.21089	45.1
256.18695	1.4
256.21475	4.0
265.19537	3.0
273.22180	2.8
283.20502	25.3
283.28275	1.7
284.21024	2.5
284.29349	3.3
297.55887	1.4
301.21625	100.0
302.22055	6.6
302.30530	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2163
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05512	19.2
57.07072	3.6
67.05499	21.1
69.07066	21.6
69.97148	5.7
69.97491	4.0
79.05497	24.0
81.07057	50.4
83.04959	3.7
83.08633	19.9
85.06546	4.9
91.05477	18.4
93.07043	31.8
95.04978	3.4
95.08593	37.0
97.06540	9.8
97.10185	3.1
98.22705	4.5
98.97587	8.3
99.08076	3.1
105.07036	28.8
107.08595	39.4
107.83606	2.6
109.06541	5.7
109.10140	29.3
110.30222	2.5
111.08060	5.6
116.98605	7.3
117.07045	5.8
119.08582	24.6
121.10140	24.7
123.08037	3.2
123.11725	8.8
125.06004	15.3
131.08585	18.5
133.10146	19.7
134.99684	2.9
135.11722	9.9
137.05911	3.1
137.13229	3.9
141.20183	2.5
142.07761	4.0
143.08569	9.6
145.10106	22.6
147.08047	3.7
147.11664	17.6
149.13254	16.1
151.07584	2.7
157.10115	10.9
159.08116	3.3
159.11690	19.9
161.09625	7.1
161.13266	9.2
163.14743	6.2
165.09102	3.6
171.08011	2.5
171.11690	10.8
173.09589	7.0
173.13258	17.6
175.07516	3.6
175.11234	6.2
175.14845	10.7
177.09062	5.4
177.16359	3.2
183.11656	3.1
185.13275	11.7
187.11134	5.6
187.14819	5.9
191.10698	4.2
195.11697	4.5
199.14807	14.1
201.12660	3.8
201.16252	5.6
203.14223	2.6
209.13303	5.1
213.16431	7.8
219.13765	2.8
227.14288	5.1
227.17935	2.8
229.19490	7.0
245.15363	3.6
255.21068	33.0
271.20450	3.6
273.22150	14.1
278.96814	6.6
283.20499	23.9
301.11322	3.2
301.14319	20.0
301.18185	3.4
301.21616	100.0
301.25122	5.6
302.21814	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	302.01
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67138	2.3
52.52037	2.5
54.12619	2.7
56.96568	55.4
57.38662	2.6
60.29988	2.5
69.03415	3.2
69.97704	4.9
69.98037	3.7
70.06593	8.0
72.08177	4.4
84.08160	4.3
85.02937	3.3
86.09693	3.4
98.23449	2.9
98.97570	15.0
116.98634	10.5
118.92077	4.5
119.44899	2.5
120.08112	6.2
120.97987	2.5
134.54433	2.9
134.99712	3.9
136.93091	30.3
154.93063	6.2
154.94191	47.4
165.09508	3.1
172.95337	70.9
176.03871	6.0
177.02313	4.2
178.05418	18.4
190.96521	25.1
194.04900	4.0
196.06500	8.6
201.04428	5.9
204.03421	4.1
222.04376	45.8
223.04654	4.2
225.98715	2.7
240.05450	37.8
256.98792	5.7
260.99734	4.6
261.03265	4.0
265.76065	3.3
274.99554	9.4
278.96909	10.8
279.00146	6.0
289.03061	3.0
301.13992	8.7
302.00815	100.0
302.14337	3.7
320.01300	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	302.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21189	0.9
53.03941	1.4
55.01860	1.6
56.96563	1.3
57.03422	2.3
61.02918	3.7
65.03933	2.1
67.05162	1.6
67.05505	29.3
68.05849	0.9
69.03431	15.1
69.06718	1.0
69.07073	18.4
69.54037	2.7
70.06608	1.1
70.95816	1.0
71.04998	1.8
73.02914	1.9
81.03416	4.7
84.08141	2.2
85.02904	42.5
90.29426	0.9
91.03944	1.0
91.05470	1.8
91.83376	0.8
94.06561	2.0
95.04967	43.8
97.02892	34.9
98.97571	3.2
99.04419	1.7
102.96862	1.4
103.03947	3.1
109.02889	6.6
112.07601	34.7
113.05973	3.6
116.98618	2.5
120.97897	0.9
121.06514	1.9
122.06049	7.4
122.06853	1.4
123.04500	1.9
124.07583	1.6
127.03929	7.4
134.99629	1.5
136.07555	3.0
137.05948	2.7
140.07063	100.0
141.07495	1.4
145.04921	5.1
152.07048	1.1
154.08601	5.8
156.02617	1.6
164.07033	1.5
178.08568	2.3
182.08130	55.6
183.08466	1.2
186.73654	0.9
206.08136	12.9
218.08104	1.2
236.09189	2.1
236.98633	1.6
248.09175	8.2
266.10217	1.1
278.96722	3.7
278.99786	1.3
284.11307	1.2
286.10654	2.8
296.97827	1.8
302.06360	2.3
302.10004	2.3
302.12805	13.6
303.14041	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	4.2
57.03431	5.3
65.03947	2.6
67.05512	25.9
69.03430	16.4
69.07067	20.4
71.44588	2.3
73.02898	2.9
78.70141	2.3
81.03400	5.9
82.06503	2.4
84.08126	3.1
85.02911	44.3
86.09711	2.7
94.93266	3.2
95.04961	44.9
96.08127	5.5
97.02895	31.7
98.23535	2.3
98.97591	10.3
99.04454	2.7
102.09134	2.9
102.96867	2.8
108.13744	2.6
109.02864	8.3
112.07599	37.8
113.06028	5.8
116.98609	9.1
122.09681	8.2
127.03930	7.9
133.02843	2.9
134.99687	3.8
136.07576	3.2
137.06033	3.2
140.07057	100.0
140.10678	14.4
145.05020	4.4
154.08614	6.8
158.11763	31.9
178.08629	3.6
182.08127	57.0
186.57996	3.1
206.08159	9.0
236.98694	4.4
248.09151	9.3
260.95941	2.8
278.96753	10.0
278.99719	2.7
285.11615	2.8
296.97745	4.7
302.12317	6.4
302.19601	61.5
303.13361	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01869	2.8
55.05514	1.9
57.03437	5.4
61.02935	6.8
65.03934	1.8
67.05500	8.0
68.05039	0.9
69.03434	12.5
69.07054	1.4
69.31231	3.7
70.06596	3.1
71.04992	1.9
72.08158	7.0
73.02908	3.2
79.05491	6.6
80.05024	1.3
81.03420	9.3
81.07066	7.8
83.08635	0.9
84.08144	2.3
85.02904	95.9
86.03217	1.4
86.09714	1.7
87.04472	0.9
91.05501	4.2
91.35405	1.2
93.05774	1.7
94.06564	3.8
95.04964	6.7
95.08598	1.1
97.02895	48.8
97.06525	1.7
98.03248	0.8
98.97612	1.9
99.04459	3.5
102.96934	0.9
103.03962	6.2
106.06583	1.7
107.04916	1.3
107.07355	1.3
107.08639	0.8
108.08115	15.3
109.02876	15.5
109.06533	2.0
110.06049	2.6
112.07605	1.5
115.03880	1.1
119.04963	1.2
121.06493	4.0
122.06036	7.1
122.09679	0.9
123.04449	1.9
125.06001	8.3
126.05531	8.2
126.09171	4.7
127.03915	19.9
128.10672	0.8
130.06543	2.9
134.06029	1.2
136.07576	24.9
137.06001	4.1
140.07062	46.0
141.07452	0.8
143.11783	2.9
145.04950	13.6
147.04305	1.0
149.05882	0.9
150.05484	1.1
150.09131	5.7
152.07069	21.6
153.05423	0.9
154.08624	9.3
158.11700	1.0
163.06062	3.1
164.07062	27.1
171.11345	1.2
178.08650	20.1
182.08131	100.0
183.08450	3.3
191.07280	1.2
200.07132	1.1
202.08662	1.0
204.08058	1.0
205.08945	1.3
206.08093	40.3
206.09732	6.8
214.08562	1.5
218.08141	5.1
224.10777	2.8
226.08571	1.0
230.08191	1.6
234.09154	7.0
235.09827	2.1
236.07249	1.6
236.09189	3.7
237.07773	1.7
238.08557	1.6
238.16180	0.8
242.08017	1.1
243.08856	0.9
248.09200	12.0
250.08717	1.1
251.09422	1.2
252.10210	49.5
253.10631	2.3
258.11237	2.5
270.11349	1.4
274.10812	3.5
275.13788	1.1
276.09601	1.1
278.96667	1.4
284.12820	26.6
284.60876	0.9
285.12982	1.1
286.10727	12.2
302.09781	1.6
302.14877	1.3
302.19199	1.3
302.23242	1.8
303.13388	14.4
313.36365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1965
Annotation	Floridimine
Peak:m/z	Relative Intensity
55.05513	1.3
63.78566	0.9
69.58670	3.2
71.25834	0.8
72.08163	12.0
73.06530	0.8
83.07356	5.6
84.08154	4.9
84.28242	0.7
85.02912	1.3
86.06003	0.7
86.09711	4.6
86.78426	0.8
97.08953	0.9
98.97594	3.1
100.07642	1.3
102.96880	1.5
110.09698	2.5
116.98576	1.6
120.97923	1.2
122.09684	1.5
124.11232	9.6
134.99666	1.5
140.10703	6.1
141.11505	7.1
143.11800	9.6
157.13420	1.1
158.11771	100.0
159.12158	2.0
171.11279	4.6
252.15727	0.8
258.17258	1.1
278.96802	2.4
278.99762	1.2
284.18649	1.5
296.97784	2.4
302.15933	2.9
302.19620	93.1
303.19922	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
53.76415	0.9
55.01861	1.4
55.05513	6.7
56.05034	5.6
56.34600	0.8
57.03442	4.6
58.06583	1.4
58.48224	0.8
60.04514	2.8
60.96127	0.8
65.03927	1.2
67.05503	18.5
69.03436	1.0
69.07071	6.6
70.02963	1.1
70.06592	14.8
70.53812	1.4
72.04528	0.8
74.42695	0.8
75.84222	0.7
79.05489	17.4
81.07057	35.7
82.06565	1.8
83.04987	1.9
83.08630	4.9
84.08132	3.2
85.02901	3.3
85.06525	2.2
86.09705	2.7
91.05476	11.0
93.07040	26.8
94.06565	2.5
95.04938	2.0
95.08604	20.7
96.08115	10.4
97.06525	3.3
97.08886	1.2
97.10143	1.3
98.09718	1.6
99.08081	1.0
105.07033	10.0
107.08588	13.9
109.06516	1.6
109.10165	7.8
110.09668	4.8
111.08096	2.0
113.05988	1.0
116.04996	0.8
117.07009	1.7
119.07900	0.7
119.08611	6.7
121.10149	12.5
123.08084	2.0
123.11699	2.0
124.11236	2.8
125.09675	1.0
127.03912	1.2
127.07595	1.7
129.06998	1.1
131.08540	3.6
133.10135	7.9
135.08069	1.2
135.11702	6.9
137.05952	7.0
137.09625	2.1
138.12761	1.6
139.44870	0.9
140.14314	1.0
143.11771	1.5
145.04962	1.6
145.10132	2.4
147.11682	4.8
149.09624	1.8
149.13303	1.8
150.05479	6.6
153.21968	0.8
157.10129	1.7
159.11684	3.7
166.12263	1.6
170.11751	2.1
171.11543	1.2
173.13297	1.0
175.14809	1.7
177.12767	1.5
184.13350	2.5
189.16380	1.1
193.12045	0.9
193.15921	1.2
212.68575	0.9
213.16391	2.6
231.17473	3.0
248.20108	8.6
249.18501	5.2
266.21130	26.3
284.22211	48.7
285.22565	2.4
302.23254	100.0
303.23587	5.9
311.30090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.2329
Annotation	2,6 dimethylheptanoyl carnitine
Peak:m/z	Relative Intensity
53.03951	1.2
55.01880	2.7
55.05515	17.9
56.05029	1.2
60.04530	33.3
67.05509	10.8
68.07483	0.6
69.03427	0.8
69.07074	7.0
70.06602	3.1
70.60373	1.1
79.05491	8.1
80.05015	0.9
81.03431	2.6
81.07057	6.9
82.06582	1.1
83.04969	1.6
83.08625	22.4
84.08138	0.8
85.06526	0.6
86.06059	0.8
86.09701	2.6
87.08096	0.9
91.05486	8.0
93.07047	18.2
94.06575	1.2
95.04975	2.1
95.08613	4.3
96.08138	3.6
97.06552	0.8
98.97597	1.6
102.96860	0.8
105.07035	14.1
107.04956	1.4
107.08596	2.3
109.06561	0.7
109.10168	2.0
110.09702	4.1
111.08079	9.1
114.09191	1.3
115.01212	0.5
116.98624	1.1
117.07021	1.3
119.08607	3.2
121.10165	5.8
122.09675	10.5
123.08083	2.8
126.12836	0.7
129.07010	0.9
129.09100	2.1
131.08577	1.4
133.10138	1.9
135.08066	1.1
137.09596	1.0
138.12778	2.1
139.11145	0.8
140.10701	7.0
143.08560	1.1
143.11824	1.0
145.10161	1.2
147.08026	1.5
147.11673	0.7
149.09621	0.7
156.13878	1.6
161.09575	0.9
161.64146	0.5
175.11369	0.5
211.52740	0.5
219.17387	0.8
223.39015	0.5
231.17432	0.8
236.20044	0.7
237.18544	1.9
248.20148	2.7
249.18491	2.4
254.21071	0.6
266.21127	4.8
278.96735	2.3
278.99744	0.8
284.22223	11.3
285.22507	0.7
296.97977	0.9
302.23273	100.0
303.23621	5.2
310.92633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46027	0.3
57.03249	0.2
69.11211	1.5
71.66702	0.2
74.00996	0.3
78.34722	0.3
79.74043	0.3
82.99838	0.3
86.00397	0.2
89.88096	0.3
92.63828	0.3
94.95531	0.3
98.23434	0.6
101.00880	2.7
102.00935	0.3
109.79755	0.2
117.85554	0.3
119.01913	4.5
120.01987	0.3
137.02991	0.5
140.98816	0.4
143.92477	0.3
158.99858	1.5
159.07971	0.3
160.00014	0.6
165.99777	0.3
177.00945	8.1
178.01088	2.0
179.00734	0.7
180.26459	0.3
182.99930	1.0
184.00151	0.2
201.00911	1.9
202.01021	0.7
209.59702	0.3
217.04071	2.3
218.04047	0.6
219.01994	15.7
220.02109	5.1
221.01732	1.4
225.00845	1.9
225.99023	0.3
226.01074	1.1
243.01967	11.2
244.02083	4.6
245.01607	0.5
261.03043	100.0
262.03183	34.0
263.02856	6.6
279.00677	0.6
284.04623	1.1
284.99826	3.3
285.04660	1.5
303.00809	3.1
303.05634	6.5
304.01053	0.5
304.05362	2.0
324.90820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0499
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.67512	0.1
51.58038	0.1
53.03944	0.1
54.30937	0.1
55.01867	0.4
65.03936	0.5
67.01869	0.4
67.05511	0.3
68.99789	1.8
69.03426	0.2
71.01364	0.1
71.30116	0.1
77.03923	0.1
79.05494	0.1
81.03420	0.7
81.07057	0.1
91.05467	0.2
93.03416	0.7
95.04967	0.9
97.02895	0.1
101.06551	0.1
103.05475	0.1
105.03398	0.2
105.04559	0.1
105.07027	0.1
107.01272	0.1
107.04937	0.2
109.02876	1.3
110.03661	0.1
111.00805	1.8
111.03494	0.1
111.04419	0.1
115.05463	0.2
117.07028	0.2
119.04922	0.1
121.02861	2.1
121.94456	0.1
123.04420	0.7
127.03905	0.4
128.06186	0.1
129.07043	0.1
131.04958	0.4
133.02876	0.2
133.06505	0.1
135.04401	0.6
137.02339	7.5
137.05963	0.2
138.02707	0.2
139.03903	0.1
139.05446	0.1
143.04921	0.1
145.02838	0.2
145.06490	0.6
149.02321	0.9
149.06036	0.1
150.05438	0.1
151.03951	0.1
153.01822	10.2
154.02179	0.2
154.81207	0.1
155.04913	1.0
155.06075	0.2
157.06516	0.2
159.04391	0.2
161.02409	0.1
161.05994	0.7
163.03900	1.3
165.01833	4.1
166.02618	0.6
167.03432	0.1
173.02386	0.1
173.05992	1.3
175.03851	0.1
177.01868	0.2
177.05452	0.2
179.03357	0.4
183.02888	1.7
183.04445	0.8
184.05005	0.1
185.05992	0.1
187.03918	1.0
187.16891	0.1
189.05580	0.1
191.03400	0.3
191.07063	0.2
194.02293	0.1
195.02832	0.5
200.04678	0.1
201.05463	4.4
202.05737	0.2
203.03297	0.1
205.01218	0.1
205.04956	0.5
207.02895	0.3
209.04486	0.1
211.03880	0.4
213.05455	0.2
215.03368	0.2
217.04953	0.1
219.02933	0.3
219.06548	0.5
220.06802	0.1
228.04178	0.6
229.04955	9.7
230.05286	0.4
231.02867	0.1
232.03777	0.2
233.04483	0.1
239.03416	0.5
243.02969	0.1
244.29315	0.1
245.04433	0.2
246.05284	0.1
247.06026	1.2
248.06244	0.1
256.03580	0.1
257.04431	4.9
258.04877	0.2
274.04724	1.3
275.05371	0.4
284.22113	0.1
285.03934	2.5
286.04556	0.3
303.04968	100.0
304.05313	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	33.5
69.07077	0.7
71.95257	0.6
72.08170	0.6
74.97599	0.9
78.86861	0.6
84.08139	0.8
86.09708	1.5
91.05466	1.0
95.04987	0.8
98.97581	14.7
116.98635	8.6
117.05796	0.8
123.04427	1.2
132.08072	4.7
134.99643	3.9
136.05209	0.7
137.06004	1.7
138.22639	0.7
140.07043	1.2
144.96803	1.0
150.05504	1.8
174.02281	24.9
188.03831	6.1
192.03342	41.2
193.03723	1.3
196.02885	0.9
197.03880	1.3
199.03641	0.9
202.01703	1.6
204.03397	1.4
206.04912	13.5
210.04410	6.6
213.03241	0.6
215.04947	19.8
217.06506	15.7
220.02844	2.3
222.04350	3.7
224.06020	2.5
224.57887	0.7
229.02867	1.9
231.04362	1.6
233.05986	12.1
234.04269	1.1
235.07549	13.5
238.03731	0.8
243.04398	6.7
247.03915	2.9
249.05331	0.8
258.04428	3.1
261.05484	100.0
262.05826	3.2
276.05322	1.1
279.06537	56.7
280.06921	2.2
284.07211	1.6
285.12277	0.7
286.03894	1.3
286.10669	2.8
286.13632	0.9
302.08142	0.9
303.06577	6.4
303.10471	24.1
303.14017	32.7
304.05002	0.7
304.10983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00309	6.5
51.91105	5.9
53.88457	5.4
56.96552	18.0
58.17204	5.4
63.30983	6.4
63.64360	5.2
70.06577	11.9
83.06123	7.7
98.97607	17.4
110.07163	26.2
114.05530	15.4
116.98605	17.5
118.53333	6.4
119.01913	16.5
123.04431	14.0
130.06552	9.1
141.05267	7.8
143.35840	6.2
155.00159	6.2
157.07578	7.8
165.05463	14.4
173.01305	6.6
176.04063	8.3
177.00952	9.4
185.09245	22.1
187.04736	7.4
200.98236	45.2
210.06148	20.3
216.34767	6.3
217.08168	8.7
218.99336	16.1
219.01962	19.7
220.02179	9.0
230.99672	6.5
235.09279	11.0
243.01967	7.1
246.06180	9.1
256.97623	21.9
261.00247	12.9
261.03027	100.0
261.07190	12.5
262.03253	27.1
279.00620	7.1
279.08133	10.5
285.07251	13.8
286.13974	18.5
298.98645	17.5
303.01260	10.3
303.05365	11.5
303.08347	44.7
303.11255	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	303.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67055	1.7
69.10523	12.4
72.09275	1.9
81.04557	2.0
94.93021	89.0
96.92828	72.9
98.22742	4.5
101.32440	1.6
103.53518	1.6
112.89615	8.8
114.89361	5.9
119.01857	2.0
138.50462	1.7
140.07104	3.6
140.08163	3.3
141.08478	2.2
160.94022	6.0
161.03052	2.1
162.93880	5.1
164.07074	2.4
182.97368	2.8
191.03906	2.2
200.04422	2.2
213.03232	1.9
218.92250	7.1
220.92087	19.4
226.86787	2.0
228.86552	2.6
232.63744	1.8
244.90163	17.6
245.89250	3.7
246.90021	27.1
302.86639	100.0
303.08353	24.5
303.13669	6.7
303.87045	4.3
304.07996	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	303.084
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	41.5
58.53071	12.6
61.16375	13.2
61.96278	10.0
65.77460	11.7
70.06587	33.6
70.20596	22.7
70.20925	11.0
75.02734	12.5
84.08147	24.1
86.06099	15.0
86.09689	16.6
92.89924	11.2
98.45087	11.9
98.97577	62.6
106.69446	10.2
108.25488	13.9
114.05521	27.9
116.98657	23.1
119.01951	14.2
123.04462	50.4
141.05215	100.0
155.00218	19.2
165.05486	28.6
172.70177	11.7
177.00864	14.4
185.04175	26.3
185.09273	33.5
191.23489	11.2
200.98331	35.4
218.99333	19.0
219.01930	19.9
260.86588	12.3
260.99829	15.4
261.03116	77.7
262.03229	32.4
264.68362	13.0
279.00372	13.7
284.10806	10.7
286.14038	16.8
298.98492	15.2
303.00958	14.5
303.08307	85.4
303.10834	44.5
303.13718	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	15.5
56.96563	13.6
57.07064	13.4
57.85526	10.2
59.92167	10.2
64.37880	10.4
69.07067	42.8
69.54809	36.2
79.05499	19.3
81.07053	34.0
91.05505	11.8
93.07061	20.7
95.08618	33.0
99.24947	10.5
104.59084	11.2
104.99239	13.7
105.07031	42.1
107.08618	26.2
109.10133	20.0
112.07607	63.2
117.07098	13.5
119.08597	26.3
125.36246	12.6
129.06799	11.2
133.10138	27.7
139.61943	10.9
145.10121	28.0
147.11664	20.2
157.10127	10.6
159.11682	15.0
173.13388	21.4
203.14438	11.9
217.09682	11.4
243.95938	11.7
248.68921	10.4
266.28427	11.5
284.29364	13.5
285.21881	14.1
285.29822	16.9
287.88654	10.5
302.30429	16.3
303.04855	19.8
303.09970	100.0
303.15933	53.7
303.19415	41.2
303.23190	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
59.40379	0.7
66.35304	0.6
67.05505	1.7
68.99783	1.8
69.07091	0.7
69.94464	1.9
70.06607	1.3
81.07048	2.6
85.02970	0.6
89.11552	0.6
89.38751	0.6
91.05476	1.2
92.02650	1.7
93.02916	0.8
93.07059	1.3
94.03728	0.8
95.08601	2.6
105.07024	1.3
109.10139	1.7
111.00815	1.3
119.08574	0.7
121.02862	1.4
135.11736	0.8
137.02336	4.1
137.05989	2.6
149.02127	5.2
150.05525	1.1
153.01834	10.2
154.02116	3.4
163.03786	0.8
165.01863	1.5
166.02643	0.8
173.13220	1.0
176.08055	3.0
183.04395	1.0
200.07216	0.7
201.05415	3.2
203.91774	0.7
218.05374	1.3
228.06508	0.7
229.04944	5.8
230.05219	1.9
246.04820	1.5
247.05630	1.5
257.04410	3.5
268.22672	1.3
274.04504	2.0
275.05145	2.3
285.03879	1.5
285.22125	1.6
286.10751	2.2
286.23749	2.7
303.04913	78.9
303.12000	100.0
303.23380	2.2
304.05350	5.5
304.12326	4.2
304.24753	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	303.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51439	0.5
57.06029	0.5
70.52267	1.2
71.84278	0.6
75.04505	0.5
79.05511	0.8
80.05000	0.6
81.03457	0.6
85.14697	0.6
91.05486	9.0
91.05977	0.7
93.05836	1.4
94.06568	0.7
95.04991	0.8
95.08647	0.6
105.05811	1.1
106.04191	0.8
106.06593	1.9
107.04996	1.0
108.02155	0.6
113.06027	0.9
119.04982	4.0
119.07388	0.9
121.05269	1.2
122.06036	5.6
123.04495	0.9
134.06046	0.8
137.06013	1.1
138.05505	1.3
139.03897	0.9
139.06326	0.8
144.08165	0.5
146.06032	1.3
152.04704	1.0
156.08162	0.7
167.07364	0.7
168.08064	0.7
169.06453	0.6
170.06058	1.0
170.09641	0.8
171.06825	1.5
172.07616	3.5
172.08974	0.5
183.06821	3.5
184.07600	2.4
185.08391	0.7
186.05528	1.0
186.09213	2.0
188.07101	1.3
196.07600	2.1
197.08328	1.9
198.05553	1.7
198.09206	2.4
199.06236	3.0
199.09491	0.6
200.07057	5.8
209.08337	0.7
210.09151	0.8
211.06248	3.1
212.07088	2.6
213.07965	2.0
214.08624	7.1
215.09474	2.7
216.06584	1.5
216.10139	1.5
224.07112	0.9
225.07957	1.1
226.08595	6.9
227.09366	4.0
228.06595	5.0
228.10181	1.8
230.08090	3.4
230.11812	0.7
231.08884	4.4
238.08664	0.9
242.08136	7.7
243.08992	8.8
243.11383	1.6
244.09706	2.5
245.10500	0.8
246.11320	2.0
254.08130	2.2
255.08879	2.2
256.09729	1.1
257.10498	0.8
258.07886	1.1
258.11273	13.7
259.08344	1.1
260.09201	3.6
271.08545	0.7
272.09314	0.9
273.09760	0.8
274.10742	6.3
275.11209	1.1
275.13879	5.5
285.10941	0.8
286.10757	100.0
287.11197	4.4
303.13406	73.3
304.13791	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	303.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05546	0.4
56.96254	0.4
60.04528	0.7
63.13165	0.4
65.03957	1.2
67.05505	8.2
69.07062	0.5
71.27022	0.5
74.36485	0.3
79.05514	1.0
81.07072	1.3
84.04525	0.4
91.05486	17.9
92.05785	0.4
93.07086	0.4
94.06573	12.5
96.08145	0.5
97.06590	0.5
109.06528	0.7
119.04945	11.5
121.06601	0.4
122.06050	3.3
123.04464	0.6
124.05224	1.8
125.05983	0.4
137.05983	82.4
138.06337	1.6
150.05505	100.0
151.05858	2.0
152.07069	1.6
153.07767	0.9
154.12247	0.5
164.07109	0.6
179.08183	0.7
183.15459	0.4
184.11470	0.4
242.08252	0.4
256.09763	0.4
258.11230	0.9
263.86884	0.4
268.09689	0.6
275.13721	0.8
285.12305	1.2
285.22360	0.5
286.10733	7.9
302.62674	0.4
303.10245	0.5
303.13412	6.5
303.17178	0.9
303.23215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	0.6
68.46571	0.3
69.40191	0.8
69.40589	1.2
79.05489	0.8
81.07063	0.5
84.08112	0.4
86.09721	0.8
91.05474	1.4
93.07034	0.6
94.06529	0.4
95.08579	0.5
102.05495	0.7
102.60342	0.3
109.10124	0.5
116.07027	0.6
117.06989	0.3
119.04960	0.8
121.65683	0.4
132.10255	0.4
137.05992	9.8
146.06007	1.5
150.05475	0.8
152.07076	1.1
201.05495	1.7
286.10767	1.6
303.14127	100.0
304.14459	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	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
61.02929	0.4
67.05511	0.9
69.03417	1.0
69.07069	0.6
70.08795	1.2
73.18532	0.5
82.99698	0.4
85.02908	1.2
86.03251	0.5
91.05482	0.8
94.10899	0.5
94.32600	0.4
95.04981	1.1
96.05302	0.5
97.02889	1.1
98.22731	0.6
98.97585	0.7
104.53704	0.4
108.86509	0.5
112.07623	0.7
119.04953	0.5
123.04447	1.9
124.07590	0.8
136.07535	0.5
137.06009	1.7
140.07074	2.8
141.07426	2.1
150.05545	0.7
165.05493	1.8
172.83199	0.4
182.08142	0.9
183.08456	1.6
198.09277	0.4
207.08434	0.6
214.08583	0.6
242.08093	0.5
244.09767	0.7
258.11276	0.7
286.10770	3.9
303.14096	100.0
304.14484	4.0
315.13745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.5
69.07068	0.4
69.23341	1.0
69.23753	1.0
71.05009	0.3
71.09561	0.3
72.08149	0.8
79.05482	0.9
81.07056	1.4
83.09243	0.4
84.04521	0.4
91.05480	4.3
93.05746	0.4
93.07013	0.5
94.06546	0.5
95.04979	0.7
95.08592	0.4
98.97610	0.4
99.24084	0.3
103.47450	0.4
106.06556	0.8
108.04478	0.5
109.05257	0.5
109.06512	1.3
110.76550	0.4
119.04977	2.3
119.07375	0.4
121.05281	0.6
122.02736	1.4
122.06025	3.5
123.04431	1.4
125.06012	0.6
129.22586	0.4
134.06049	0.7
137.06000	1.3
138.05476	0.4
146.05986	0.6
150.05507	1.1
151.06274	0.6
152.04666	0.4
156.08083	0.5
167.07262	0.5
168.08093	0.5
169.08925	0.4
170.09686	0.4
171.06726	0.4
172.07550	1.4
174.05522	0.4
183.06837	1.0
183.10013	0.5
184.07672	1.1
185.08253	0.5
186.05475	0.4
186.09138	0.7
188.07098	0.6
196.07561	1.1
198.05463	0.6
198.09203	1.0
199.06232	2.1
200.07072	1.7
211.06313	0.9
211.43687	0.4
212.07043	1.2
213.07895	1.3
214.08672	2.7
215.09518	1.0
216.06523	0.4
216.10007	0.4
225.07822	0.7
226.08594	2.0
227.09427	1.3
228.06496	2.3
228.10199	0.7
228.72141	0.4
230.08119	2.0
231.08923	1.3
239.07124	0.5
242.08182	2.7
243.09053	3.7
243.11256	0.8
244.09749	1.2
246.11310	1.1
253.10463	0.9
254.08214	1.2
255.08838	0.8
256.09659	0.6
258.08023	0.9
258.11264	4.5
259.08514	0.5
259.11511	0.4
260.09259	0.9
267.11197	0.6
272.09073	1.0
274.10800	2.3
275.11340	0.5
275.13968	2.1
285.10901	0.6
286.10736	39.4
287.11325	1.7
303.13937	100.0
304.14362	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	303.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05034	3.6
60.04533	0.7
64.43479	0.4
67.05500	0.8
67.87491	0.4
69.62950	1.5
70.06580	0.6
71.08629	11.7
72.08954	0.5
79.05482	0.8
83.06101	1.5
84.04503	80.5
85.02864	0.6
85.04829	0.8
87.00835	1.2
88.11266	34.4
91.05471	3.1
93.07028	0.6
94.06585	1.4
95.04974	0.5
95.08593	0.7
95.19607	0.4
98.06054	8.1
102.05543	2.0
119.04917	1.7
121.06494	0.6
122.06026	1.2
124.03973	1.2
124.05225	0.7
129.06599	0.6
130.05002	29.1
134.06036	0.5
137.05977	18.0
138.06306	0.8
140.10660	0.6
142.04990	1.2
146.06047	2.8
150.05527	2.0
152.03433	9.6
152.07057	1.5
153.05479	0.9
153.13866	3.0
154.12265	100.0
155.12628	3.4
170.04503	0.9
171.14919	12.4
172.06026	0.6
174.05563	0.7
184.07657	0.5
197.12878	2.2
197.20264	0.5
198.03978	6.8
199.14429	5.5
200.07088	0.6
200.12790	4.2
213.07600	0.5
213.15965	1.8
214.08607	0.9
216.04968	0.7
217.15533	4.4
226.08586	0.9
239.13911	1.9
240.09961	0.7
242.08015	0.7
243.08882	0.6
243.13361	1.2
254.08066	0.8
257.14972	24.5
258.11182	1.5
258.15402	0.7
267.13419	1.7
273.87106	0.4
274.10730	1.9
275.13730	0.8
285.09515	0.5
285.14554	10.1
285.22287	0.5
286.10757	6.4
303.13205	6.4
303.15561	8.9
303.23239	1.0
304.12991	0.7
304.16119	0.8
304.24667	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.23699	2.3
53.03958	3.0
55.01872	2.6
55.05281	3.2
55.05510	27.6
57.07076	14.3
60.21644	2.5
65.03923	3.1
67.05501	35.8
67.31212	2.5
69.03420	3.3
69.06711	4.0
69.07066	60.3
70.00780	2.5
71.04998	2.8
71.08628	6.4
79.05491	49.7
81.07058	76.3
82.07412	3.3
83.04968	4.2
83.08629	23.1
85.02862	3.2
85.06540	3.8
91.05502	29.5
93.07034	39.0
93.24471	2.6
95.04961	8.9
95.08610	71.2
97.06522	12.6
97.10166	13.6
99.08086	2.6
105.07032	49.2
107.04948	7.1
107.08592	40.2
109.06508	4.0
109.10158	51.6
111.04450	7.1
111.08074	4.2
111.11713	8.0
117.07018	10.5
119.04941	5.4
119.08562	30.7
121.06483	7.5
121.10149	24.6
123.08050	3.5
123.11699	23.0
125.05988	95.5
125.09621	4.2
125.13270	5.1
131.08562	14.0
133.06485	6.7
133.10126	27.3
135.08031	6.8
135.11676	12.8
137.05966	9.3
137.13223	9.7
139.07544	9.6
139.72522	2.7
143.08562	7.1
145.06430	2.5
145.10130	35.1
147.08043	8.2
147.11682	27.5
149.05998	7.1
149.09637	5.4
149.13234	9.3
151.07526	18.6
151.14821	7.9
153.09108	2.9
157.10091	6.9
159.08015	6.3
159.11679	15.6
161.09634	29.1
161.13272	18.9
163.07559	5.0
163.11166	3.3
163.14857	6.0
165.09129	6.4
170.10989	2.2
171.11717	5.7
173.09650	10.6
173.13231	13.3
175.11182	29.6
175.14824	10.3
177.09097	14.5
177.16437	3.2
179.10689	12.0
179.18004	6.5
183.11655	3.6
187.11182	4.7
187.14738	12.9
189.12714	8.6
191.10669	19.1
191.17723	2.5
193.12268	10.5
193.19472	3.0
197.13264	4.2
199.14767	4.1
201.12703	6.5
201.16370	17.7
203.14250	5.2
203.18015	4.3
205.12175	8.5
207.13734	4.8
215.14328	6.7
217.39670	2.8
219.13800	7.3
221.15480	4.6
225.16432	3.4
229.15863	9.1
233.15359	11.5
247.16928	8.3
257.22662	39.5
267.21127	15.3
274.10974	3.7
275.23810	7.2
282.65979	2.5
285.22150	51.0
286.10767	4.9
286.22342	4.2
291.68076	3.3
303.13141	5.2
303.15933	8.8
303.19910	3.3
303.23141	100.0
304.23547	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	303.232
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
50.15872	1.7
53.03940	4.1
55.05261	2.5
55.05513	38.2
57.07075	14.9
57.34431	2.0
65.03946	2.7
67.05511	36.7
69.06712	2.9
69.07068	46.1
69.23370	9.3
71.08625	8.8
72.76904	2.0
75.78048	1.8
79.05045	3.0
79.05495	56.9
80.05000	7.3
81.07059	85.5
82.07387	2.6
83.04964	2.1
83.08620	26.1
85.06536	2.5
85.10181	2.2
87.71066	2.2
91.05492	21.1
93.07053	33.6
94.06596	2.2
95.04961	8.9
95.08610	47.5
97.06534	18.3
97.10161	33.0
104.99249	2.4
105.07028	33.3
106.06549	2.4
107.04943	9.7
107.08585	29.8
109.06540	3.5
109.10158	41.2
110.10551	2.2
111.04427	5.5
111.11715	2.6
113.06021	2.9
117.06998	9.9
119.08585	20.4
121.06445	2.8
121.10126	20.5
123.08056	2.3
123.11710	26.0
125.05989	94.3
125.13274	4.1
131.08566	20.1
133.06483	3.1
133.10115	19.1
135.04417	2.4
135.08058	4.8
135.11717	13.8
137.06033	9.2
137.13257	12.6
139.07503	1.9
143.08524	3.4
145.10114	30.5
147.08011	3.2
147.11687	13.7
149.05992	5.9
149.09732	2.4
149.13287	11.7
151.07515	6.5
151.14838	7.5
153.09103	2.6
157.10150	3.6
159.08110	4.0
159.11694	19.1
161.09641	6.1
161.13281	10.0
163.07565	7.4
163.11215	2.5
163.14854	3.7
165.09163	4.5
165.16347	6.2
168.62152	2.0
169.10129	2.5
171.11621	3.1
173.09607	12.2
173.13303	14.0
175.11218	10.8
175.14806	8.3
176.14343	4.8
177.09106	14.1
177.12784	2.0
177.16457	1.9
179.10559	4.5
179.17909	10.0
183.11731	2.1
185.13255	2.4
187.11194	6.6
187.14819	11.3
189.12711	3.3
189.16403	3.4
191.10652	25.4
191.17921	3.0
192.11006	2.2
193.12195	4.7
197.13330	2.0
201.12683	5.2
201.16365	8.5
203.14316	5.1
203.18031	3.4
205.12270	13.9
207.13841	5.3
211.14908	2.5
214.44547	2.0
215.14310	7.6
219.13771	11.0
221.15398	4.9
221.17381	2.3
229.15857	7.6
233.15413	11.1
247.17003	6.7
257.22672	37.8
258.23087	2.3
267.21130	10.1
285.22137	32.6
286.22452	2.7
303.23172	100.0
303.30768	6.9
304.22778	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	303.2319
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
53.03947	5.2
53.61546	2.1
53.77787	2.0
55.05513	20.1
57.07080	15.2
65.03954	3.9
65.21571	2.0
67.05500	23.3
69.07069	55.8
70.61996	2.0
71.08643	10.3
79.05493	49.1
81.07056	67.7
83.05000	2.9
83.08622	24.1
85.10207	2.2
91.05477	26.4
93.07052	25.7
95.04961	4.7
95.08607	45.9
97.06528	14.3
97.10180	10.6
105.07029	27.4
107.04989	6.8
107.08595	21.0
109.10152	33.2
110.10491	3.1
111.04418	5.9
111.08080	2.4
111.11707	2.6
117.07024	8.1
119.08575	20.1
121.10148	17.9
123.08105	3.5
123.11708	20.0
125.05991	100.0
125.13312	7.6
126.06389	2.2
129.07048	2.7
131.08582	13.8
133.06502	4.1
133.10135	20.5
135.08044	2.4
135.11725	8.9
137.05989	6.4
137.13274	7.0
139.07602	2.8
143.08603	4.0
145.10115	25.8
147.08093	2.9
147.11736	14.3
149.13298	6.9
151.07520	13.4
151.14841	9.6
153.09164	3.1
155.08598	3.4
157.10123	5.7
159.08040	6.0
159.11687	13.3
161.09602	30.7
161.13274	8.1
163.14777	4.4
165.16434	6.1
173.09639	10.6
173.13281	8.3
175.11189	23.2
175.14807	6.6
177.09126	15.2
179.10704	10.7
179.17978	8.8
187.11209	4.4
187.14787	8.5
189.12798	10.4
191.10677	25.3
191.17963	5.5
191.73505	2.5
193.12280	9.8
193.19466	2.7
197.13252	3.3
201.12711	3.8
201.16360	8.7
203.14343	3.6
203.17964	4.7
205.12309	10.2
207.13771	3.3
211.14810	3.4
215.14394	6.7
219.13863	10.1
221.15376	4.3
225.16464	2.8
229.15912	6.7
233.15385	9.2
247.16988	7.8
257.22678	35.3
258.23172	3.2
267.21121	8.8
285.22156	52.8
286.22507	4.3
297.51428	2.4
303.19739	4.9
303.23190	75.0
303.30807	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	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03943	1.8
55.05512	20.9
57.07070	14.0
65.03928	2.4
67.05164	1.6
67.05502	22.6
68.05811	1.3
69.07066	70.1
71.08633	7.2
77.03913	1.3
79.05492	51.8
79.20504	1.1
81.07052	74.4
82.07388	1.9
83.04969	3.8
83.08618	23.5
85.10193	1.7
91.05479	24.6
93.07043	27.3
95.04958	6.9
95.08605	39.8
97.06529	17.0
97.10173	10.1
105.04553	1.4
105.07029	36.0
106.07323	1.7
107.04940	8.8
107.08583	22.6
109.06508	4.3
109.10152	34.9
110.11244	1.2
111.04470	6.3
111.08105	2.3
111.11707	5.6
115.05444	1.4
117.07022	7.8
119.04944	3.5
119.06088	1.8
119.08571	24.8
121.10149	19.0
123.08080	1.9
123.10896	1.4
123.11713	20.7
125.05988	100.0
125.13258	6.2
126.06324	2.9
129.07024	2.0
130.07709	1.4
131.07620	2.2
131.08542	15.0
133.06496	4.4
133.10112	27.0
135.07996	3.0
135.11690	8.7
137.05971	11.2
137.13219	7.3
139.07513	4.2
143.08551	3.6
145.10112	19.6
146.10417	1.4
147.08047	4.0
147.11678	19.2
149.05995	1.8
149.09587	3.0
149.13226	6.0
151.07529	10.6
151.14790	3.0
153.09082	2.6
155.08580	2.2
157.10149	3.8
159.08055	4.9
159.11685	16.1
161.09613	39.1
161.13220	11.7
163.07501	1.9
163.11185	2.9
163.14822	4.8
165.09116	3.2
165.16391	2.3
169.10139	3.7
171.11736	3.4
173.09569	8.6
173.13217	9.8
175.11177	26.1
175.14880	6.4
177.09077	11.4
177.16425	2.5
179.10663	16.1
179.17966	5.2
181.12218	1.3
183.11554	1.7
187.11192	5.0
187.14795	8.9
189.12759	7.0
189.16394	2.0
191.10660	22.2
193.12257	12.6
197.13261	3.7
201.12711	3.9
201.16360	8.9
203.14363	5.2
203.17953	3.6
205.12140	7.3
207.13812	4.0
211.14867	3.4
215.14314	5.5
215.17821	3.0
219.13753	6.6
221.15387	4.4
228.83160	1.5
229.15845	6.5
229.19443	2.0
233.15314	7.5
239.17966	1.8
247.16882	7.2
257.18814	1.3
257.19772	2.0
257.22632	31.1
257.25232	2.4
259.24072	2.1
261.18616	2.4
267.21109	9.6
285.22116	36.2
286.22336	2.7
303.23160	66.2
303.30756	11.3
304.23468	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	304.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50890	0.3
55.05505	0.6
56.05034	0.5
57.03427	0.9
60.04521	2.3
67.05497	1.3
69.03423	0.7
69.07062	0.9
69.31284	1.0
69.31689	0.8
69.67405	0.3
71.05003	0.4
71.08635	6.4
79.05476	0.8
81.07045	1.3
82.29709	0.4
84.04512	4.7
85.02904	17.7
87.00835	0.6
87.04449	0.7
88.11272	26.2
89.11597	0.5
91.05476	1.1
93.07038	1.1
95.01297	0.7
95.08607	1.3
97.55473	0.4
98.06057	0.8
98.22694	0.7
102.05530	3.9
105.07054	0.5
107.08601	0.4
109.10175	0.4
112.03968	0.4
121.06493	0.6
121.10184	0.5
130.05002	24.0
131.03416	1.1
131.05327	0.8
137.05914	0.6
147.11670	0.4
152.07098	0.6
158.05962	0.5
172.13332	18.8
173.13597	0.5
180.12018	0.4
200.12820	100.0
201.13150	3.3
218.13884	11.1
219.14368	0.5
248.78658	0.4
256.62784	0.4
257.69943	0.4
286.12933	0.9
286.23856	2.5
287.08847	0.5
304.08270	0.4
304.13937	2.3
304.24756	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.0
55.01857	1.0
55.05503	1.3
57.03435	3.9
58.02953	0.8
58.06598	1.2
60.04524	5.9
61.02924	3.4
63.66156	0.7
69.03429	12.1
69.07068	34.4
69.82009	0.9
69.82368	1.5
71.04980	1.4
71.08633	18.6
72.08157	1.0
72.19104	0.6
73.02907	2.0
78.18951	0.6
80.66019	0.7
81.03416	6.8
83.08614	1.4
84.04493	3.1
85.02906	55.6
86.02430	5.2
86.03246	0.8
87.04417	0.7
91.03928	1.7
91.05451	1.7
94.45471	0.6
96.08134	3.5
97.02892	35.0
97.06527	4.4
99.04455	2.6
101.02445	0.7
103.03944	4.1
109.02878	9.2
110.02374	0.9
111.11705	1.0
113.06022	0.7
114.09170	16.8
117.76350	0.6
119.04931	0.7
119.25870	0.6
121.11744	0.7
123.04425	2.6
124.07605	1.5
127.03914	13.5
133.02823	0.9
137.05962	5.1
138.09142	2.9
142.08636	100.0
143.08980	2.0
145.04944	5.4
146.06071	0.7
156.10213	2.2
158.68164	0.6
163.06088	0.8
165.64288	0.6
166.08623	1.1
180.10289	0.9
184.09697	65.6
185.10049	0.9
190.08720	0.6
208.09689	13.1
215.09412	0.6
220.09711	2.3
238.10768	1.8
243.08527	0.7
250.10753	8.6
268.11905	1.2
286.12952	1.9
287.11301	5.8
304.08151	0.8
304.13696	10.1
305.15689	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	304.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
56.05026	1.1
57.03423	1.2
59.12000	0.3
60.04526	12.4
67.05506	6.5
68.05028	0.5
69.03446	0.7
69.07069	1.9
69.27438	1.9
70.06585	0.8
71.04981	1.2
71.08263	0.6
71.08631	8.2
71.83516	0.3
72.04484	0.5
72.08978	0.4
77.03948	0.3
79.05492	4.9
81.06618	0.5
81.07059	5.6
82.06571	0.7
83.04975	0.6
83.08615	0.8
84.04509	8.1
84.08143	0.5
85.02904	23.1
85.06557	0.9
86.06091	0.8
86.09673	0.4
87.00824	0.9
87.04475	0.7
88.11268	22.8
89.11616	0.8
91.05477	3.9
93.07047	5.0
94.06566	0.5
95.01304	1.3
95.04955	0.8
95.08611	5.3
96.08128	1.3
97.06562	0.6
98.06051	1.2
99.06366	0.6
100.07582	0.6
102.05540	7.4
105.07021	2.6
107.08591	1.9
108.08138	0.5
109.06541	0.4
109.10150	1.7
110.09699	0.7
111.08051	0.3
111.11737	0.6
112.03960	1.3
113.05990	0.8
117.06998	0.8
119.08591	2.9
121.06456	0.4
121.10152	2.5
122.00872	0.3
122.09642	0.9
126.09158	0.3
130.05003	51.4
131.03403	1.6
131.05342	1.5
131.08578	1.0
133.10081	1.0
135.11693	0.6
137.05974	0.5
145.10118	1.2
147.08041	0.4
147.11765	0.6
149.13228	0.4
151.71875	0.3
154.12279	0.8
155.12616	1.3
165.09186	0.5
170.15385	0.4
172.13326	20.4
200.12816	100.0
201.13190	3.6
218.13873	13.1
221.19235	0.4
238.21684	0.4
250.21585	2.1
256.22720	0.6
268.22656	3.3
286.12909	1.1
286.23776	12.3
287.08734	0.8
304.13672	2.4
304.24817	24.3
305.14758	0.6
305.25354	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1504
Annotation	Nicotianamine
Peak:m/z	Relative Intensity
56.04786	0.8
56.05040	11.5
58.01750	0.7
58.06604	5.0
60.05645	1.0
66.33215	0.7
68.05018	3.2
69.07056	1.6
70.06240	1.4
70.06593	15.4
71.44724	0.7
72.08152	1.1
74.06061	1.9
82.06583	1.4
84.04507	1.2
84.08131	1.0
85.07659	4.1
85.99506	0.7
86.06068	15.9
91.50442	0.7
94.93018	1.1
96.08126	1.0
98.09650	1.4
100.03984	4.3
101.69502	0.7
102.05546	7.1
103.95136	1.8
111.09180	1.7
111.11726	1.9
112.89600	6.5
113.06010	1.1
113.07105	0.7
114.05527	51.8
114.89315	3.2
123.40331	0.7
124.07594	6.9
128.07072	3.0
129.06595	3.9
130.04990	1.5
139.08684	2.2
140.07079	0.9
141.10219	10.0
142.08650	7.0
145.09712	2.2
151.08627	1.6
157.09746	5.2
159.11266	1.3
161.03009	1.6
168.06442	0.8
168.11339	3.0
169.09705	1.2
173.02971	0.8
185.09212	100.0
186.07617	5.1
186.09482	2.3
196.10831	5.0
203.04047	1.2
203.10274	3.3
214.11929	2.1
215.10248	2.3
240.13379	5.1
258.14316	1.9
263.06039	0.9
268.12885	2.3
286.13977	65.5
287.14276	2.3
304.15067	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	304.1658
Annotation	H-Trp-Val-OH
Peak:m/z	Relative Intensity
55.05509	13.1
56.05040	1.1
57.05806	1.3
59.55482	0.6
62.09563	0.6
67.05515	1.8
69.07061	1.6
70.06578	1.7
72.08155	100.0
73.08495	0.7
79.05493	2.3
81.07055	2.2
83.08632	0.8
86.09705	1.0
91.05492	2.4
93.07056	2.2
95.08609	1.4
96.08173	1.1
97.06515	0.8
98.06076	1.0
99.09220	1.3
102.33614	0.8
107.04998	1.3
107.08606	1.2
109.06493	0.9
109.10165	1.3
113.06011	1.3
114.05532	1.2
116.07083	2.0
118.06544	3.6
119.08566	0.9
120.08179	0.7
123.04440	2.6
127.08682	2.7
130.06522	7.9
132.08099	9.4
137.06001	2.8
139.03923	3.3
142.06525	1.2
144.08072	10.8
146.06004	26.4
147.04469	1.1
151.03978	0.9
153.01808	1.7
155.72281	0.7
159.09172	18.8
160.07693	0.8
170.06006	5.7
182.06624	0.7
187.08716	1.0
188.07065	70.8
189.07394	2.9
205.09727	58.6
206.10037	2.4
232.87715	0.7
250.21733	1.2
256.82336	0.7
258.16193	1.0
268.22818	1.6
283.58383	0.8
286.13852	0.8
286.23782	4.3
287.09097	2.4
287.13889	8.0
288.07590	1.0
304.05182	1.6
304.11234	3.7
304.16623	16.7
304.24826	10.0
305.17038	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.4
55.05497	1.4
57.03441	1.8
59.04994	2.5
65.03928	1.7
66.15946	1.2
67.05157	1.9
67.05505	26.3
67.48875	1.0
67.53462	0.9
69.03445	6.5
69.07069	100.0
70.07404	1.4
71.04974	1.6
71.35635	1.1
76.62404	1.1
79.05507	8.5
79.32288	0.9
81.03395	2.0
81.07076	7.6
91.05482	37.2
91.06059	2.1
93.07047	14.8
95.04971	6.4
95.08615	8.2
96.22868	0.9
97.06525	1.8
103.05490	1.3
104.99270	2.3
105.04491	1.2
105.07018	5.2
107.04945	3.9
107.08585	3.2
109.06521	3.3
109.10154	11.1
113.06000	1.9
117.07030	3.2
119.04941	10.8
119.08595	9.7
121.06467	2.1
121.10155	2.8
123.04423	3.1
123.08038	2.0
131.04948	1.4
133.06500	4.5
134.38246	1.0
135.04465	4.7
135.08057	1.2
137.05981	79.7
137.09595	19.7
143.08560	1.6
145.06451	1.9
147.04417	4.1
147.08102	1.5
148.07573	1.4
149.06010	3.9
151.11198	1.4
157.06506	2.9
159.08000	1.6
161.05978	4.5
163.07530	5.5
164.07065	6.3
171.08011	1.4
173.05995	3.6
173.09406	1.1
175.07579	1.1
185.05917	1.4
187.07570	2.0
200.08315	3.3
203.07002	1.0
215.03334	1.0
216.10173	3.2
225.12785	2.5
229.12325	5.4
230.11795	3.3
243.13805	1.3
255.13826	11.4
272.16440	17.8
273.14835	63.0
274.15109	2.1
277.10635	1.1
279.35394	1.1
287.16443	16.0
304.19083	99.0
304.24826	3.5
305.10416	6.3
305.13483	1.3
305.19653	5.4
316.64880	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.05038	0.3
57.03445	0.2
57.07069	0.6
65.03938	0.8
65.64929	0.2
67.05511	1.3
69.06710	0.3
69.07067	3.7
69.07437	0.2
69.52783	0.7
71.08630	0.2
71.69739	0.2
74.06069	0.3
76.80328	0.2
78.18153	0.2
79.05491	1.5
81.07055	1.1
83.05002	0.3
83.08611	0.7
88.07626	0.7
88.39272	0.2
91.05489	0.8
92.05006	0.9
93.03401	2.5
93.07045	2.1
95.04971	0.5
95.08604	1.1
97.06539	1.4
98.23422	0.2
104.99264	0.8
105.07008	0.2
106.06538	0.4
107.04965	0.8
107.08611	1.7
109.02748	0.2
109.05258	0.8
109.10149	0.7
110.03659	5.3
111.04448	1.9
113.05977	0.3
119.08617	0.2
120.04484	0.9
122.08107	0.2
124.07593	2.7
125.05994	9.9
133.10141	0.4
135.11708	1.2
137.04723	5.0
137.05963	2.5
137.73907	0.2
143.08473	0.2
145.06538	0.2
152.07068	100.0
153.05481	0.5
153.07388	2.1
168.13850	0.3
177.09082	0.6
256.26358	0.6
273.18484	0.2
287.16647	0.2
304.15665	0.4
304.19070	4.0
304.28500	2.2
305.21097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.1
55.15596	0.9
56.05029	3.2
56.96561	1.3
57.03438	5.4
58.06592	4.3
58.99189	0.9
65.64528	0.9
67.05505	28.2
69.07069	10.4
70.05159	2.8
70.06234	1.8
70.06593	25.5
71.04996	3.2
73.10639	1.1
74.06075	2.3
76.83930	1.2
79.05497	9.3
81.07056	41.8
82.07387	1.3
83.04976	1.2
83.08605	7.3
84.04489	1.1
84.08152	4.0
85.06561	2.2
91.05467	6.8
93.07043	11.9
95.08606	37.6
95.09216	2.2
96.08153	1.0
97.06531	2.3
97.10168	3.1
98.09686	1.3
98.22771	1.1
105.07034	3.7
107.08592	7.8
109.10152	21.4
111.08060	2.7
119.08587	3.7
121.10104	6.2
123.11729	3.1
125.09613	2.4
131.08554	2.5
133.10136	7.1
135.11717	5.9
137.09569	2.1
137.13290	1.4
139.11218	1.0
145.10158	3.7
147.06761	1.1
147.11690	1.9
149.13231	5.2
151.11195	1.5
157.84724	1.2
159.11659	1.7
161.13251	3.9
163.11147	1.4
168.13815	1.4
173.13274	1.8
177.12782	1.3
192.03360	1.2
215.10591	1.2
215.17896	3.0
233.18947	2.0
245.26488	1.1
250.21645	22.7
251.20042	8.0
268.22714	57.3
269.23056	2.5
275.96829	1.1
286.23764	74.1
287.24088	4.0
304.05316	6.5
304.24814	100.0
305.25189	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	304.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20687	1.6
53.85282	1.4
54.91188	1.4
55.01868	2.1
55.05519	7.3
56.05028	4.1
56.81840	1.3
60.04528	51.0
67.05508	23.5
68.05048	1.7
69.07066	9.4
70.06593	3.1
71.04988	5.6
71.13867	1.9
72.08176	1.4
76.19124	1.4
77.03963	1.9
79.05493	19.0
81.07060	26.2
82.06585	2.8
83.04979	2.1
83.08618	4.1
84.04509	5.7
84.08158	1.9
85.02911	8.9
85.06541	3.2
86.06046	4.5
88.11265	9.4
91.05478	15.8
93.07040	20.6
94.06542	2.9
95.04983	2.1
95.07361	2.4
95.08611	20.4
96.08125	3.0
97.06535	2.1
100.07626	2.1
102.05547	3.7
105.07037	12.3
107.08594	10.1
109.10186	4.6
110.09729	2.4
112.07619	2.4
113.05997	2.7
117.07001	2.9
118.87781	1.5
119.08593	7.5
121.10149	9.5
122.09643	2.2
130.05008	21.1
130.06502	15.7
131.08560	4.9
133.10129	6.2
135.11687	3.0
137.28062	1.4
145.10138	4.0
147.11629	2.2
148.06027	2.3
156.13837	1.6
158.45502	1.8
172.13347	6.9
197.22002	1.4
200.12819	36.9
201.12997	1.5
206.43350	1.7
218.13860	5.0
232.69745	1.6
236.12134	1.4
250.21693	8.5
268.22723	16.4
280.16797	1.7
286.23792	53.2
287.24048	2.9
304.15564	4.0
304.24808	100.0
305.25040	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.6
55.05517	2.2
56.04776	0.7
56.05040	11.2
57.03428	1.2
57.07077	7.4
58.06341	0.5
58.06603	6.1
60.04525	4.3
67.05510	2.2
68.05033	0.6
69.07056	1.5
71.08633	4.2
71.36353	0.4
74.06083	10.0
79.05495	4.4
80.94846	0.4
81.07056	2.9
83.08621	0.9
85.10166	2.2
85.47118	0.4
86.06066	1.5
88.07631	34.2
91.05479	3.1
93.07053	2.4
95.04958	1.4
95.08601	1.5
97.06515	0.5
99.08067	0.5
100.73311	0.4
103.55116	0.5
104.99268	2.5
105.07033	2.2
107.04949	1.3
107.08610	2.6
109.06505	5.8
109.10138	0.6
112.75342	0.4
113.06007	1.5
115.05437	0.6
117.07016	1.8
118.08649	7.1
119.08584	1.2
121.06532	0.5
121.10156	0.8
122.08144	7.0
127.66096	0.4
129.06996	0.5
131.08559	1.1
133.06522	0.6
133.10094	0.7
135.08052	8.3
143.08580	1.0
145.10068	1.0
149.09607	0.8
157.10080	0.8
159.11662	1.0
161.09647	1.5
171.11673	0.5
175.11104	0.6
177.12811	0.8
184.20711	0.6
185.96010	0.4
199.14877	0.6
202.24928	0.4
217.15935	1.8
233.15463	0.5
237.70000	0.4
242.24609	0.4
255.17494	0.7
256.26355	34.7
257.26694	1.6
268.26373	0.4
273.18451	3.3
286.27411	2.7
287.16476	0.5
287.20044	1.0
304.28452	100.0
305.17755	0.7
305.21176	5.2
305.24561	0.7
305.25183	0.6
305.28815	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	304.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64759	1.0
56.04778	1.4
56.05038	23.4
57.06818	1.7
57.07079	22.2
58.06601	13.9
60.04524	3.7
68.05036	1.2
68.58037	0.9
69.07050	1.2
71.08268	1.4
71.08633	17.3
71.46695	1.0
74.06082	17.9
81.07058	1.3
85.10184	7.2
86.06061	2.9
88.07634	1.9
104.07077	0.9
104.99270	4.1
107.08619	1.2
109.10133	1.0
113.05998	3.3
118.08643	6.2
122.07271	2.2
122.08145	40.9
123.11655	1.0
137.05943	2.5
140.08203	0.9
157.56181	0.9
205.15190	1.0
256.26331	2.7
282.73700	1.1
304.28470	100.0
305.21417	1.2
305.28775	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	305.0656
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
55.01875	0.9
63.31040	0.5
65.03946	0.6
67.05484	0.8
68.99788	4.0
81.07024	0.5
85.02876	0.7
86.09695	0.8
89.03913	1.4
95.04995	0.8
105.03401	1.8
107.04961	1.6
107.08611	1.2
108.98473	0.6
111.00819	1.6
115.05458	0.9
121.02856	8.4
123.04428	20.1
125.81799	0.6
127.03905	2.0
129.07004	1.7
131.04904	0.7
135.04416	2.0
137.02338	1.3
137.05945	2.8
139.03906	4.8
141.06989	1.1
145.06471	1.3
146.54219	0.7
147.04376	3.3
147.08109	0.9
149.02338	66.1
150.02788	1.5
151.03874	0.8
153.01811	18.6
154.02107	0.8
157.06493	4.7
161.02353	1.6
161.05960	1.3
162.31136	0.6
163.03874	1.1
165.01750	0.6
167.03383	1.4
167.04910	0.7
169.06421	1.0
171.02916	1.4
171.04289	1.1
173.05891	0.7
175.03941	2.7
175.07585	1.3
177.05418	1.5
185.05968	9.4
195.02867	0.9
195.05592	0.9
197.05962	1.3
198.09283	0.7
203.03383	8.6
203.07045	2.0
213.05458	13.1
216.04184	0.8
217.05008	0.9
226.08670	1.3
231.06512	57.4
232.06844	2.4
241.04965	9.7
242.08002	0.8
243.08923	0.9
259.06015	100.0
260.06345	4.8
269.04370	3.8
287.05487	37.8
288.05750	1.4
305.11578	1.3
305.15652	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	305.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96582	2.7
68.98910	1.3
70.06612	1.4
71.18747	1.4
87.99377	1.4
91.93373	1.2
97.09012	1.2
98.97602	2.0
133.91664	1.3
161.02982	2.8
163.85416	1.1
167.35722	1.6
183.00470	1.2
198.09193	1.3
226.08766	2.5
240.05370	1.4
296.80167	1.3
305.12216	100.0
306.12778	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	305.102
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
55.01870	1.4
55.05515	0.7
59.22760	0.5
60.50301	0.5
65.03946	1.0
67.05490	1.6
68.99782	1.9
69.03405	0.7
69.07068	1.0
70.06583	0.6
79.05488	0.7
80.57028	0.6
81.03421	0.5
81.07037	0.6
83.04957	1.0
85.02888	1.0
91.05492	2.1
93.03416	1.0
93.07067	0.5
94.04195	0.9
95.04961	2.9
95.08646	0.6
105.07000	1.1
107.04957	1.8
111.04451	3.2
113.02381	0.6
115.05444	0.9
117.03352	0.5
119.04935	4.7
122.03628	1.7
123.04427	5.0
131.32407	0.5
133.06482	1.8
135.04439	0.5
135.34048	0.7
137.05975	55.2
138.06323	1.2
139.03899	100.0
140.04233	2.4
143.04922	1.7
145.02855	1.5
147.04404	24.3
148.04749	0.6
149.02307	2.9
151.03870	1.5
153.01814	4.7
153.05482	0.7
158.06079	0.6
161.05989	2.3
163.03886	1.0
175.07523	2.8
177.05455	3.9
179.07043	5.2
181.04967	1.5
193.08647	2.6
193.10394	0.6
195.02869	1.0
201.05460	0.6
221.08121	4.1
226.08621	1.4
231.06497	2.5
233.11678	0.7
237.68073	0.5
243.09151	0.5
251.12718	1.4
258.64804	0.5
259.05948	2.7
263.09155	0.8
269.13986	0.9
287.05551	1.4
287.09048	0.7
305.06534	0.9
305.10214	4.4
305.13300	1.1
305.15988	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
67.05504	1.0
70.70358	0.8
77.03930	0.6
79.05499	0.8
81.07060	1.2
91.05466	3.2
93.07049	2.4
94.06567	0.6
95.04977	2.0
96.08147	0.5
102.22896	0.3
104.05337	0.3
108.04499	0.3
108.08094	1.6
109.10143	0.5
122.06018	3.3
124.07591	9.0
126.05511	1.4
136.07574	100.0
137.07953	2.5
138.09090	0.5
140.07080	0.6
150.05479	0.8
152.05786	0.5
152.07066	18.9
164.07060	77.0
165.07367	2.1
170.08136	4.9
173.11752	0.6
182.08131	18.2
217.69292	0.4
226.08595	0.8
244.13387	0.3
261.10300	0.6
274.07306	0.4
280.38095	0.4
286.17953	0.3
287.13864	6.4
288.14410	0.5
289.09711	4.2
305.10922	0.5
305.15012	2.5
305.24832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.7
55.05509	0.9
60.04530	16.8
65.03947	0.9
69.68020	1.0
71.04977	0.6
72.08142	1.1
82.06561	0.4
83.04980	6.8
88.07611	0.9
91.05486	7.6
95.04975	0.5
100.07611	7.7
102.05547	0.9
107.04945	1.6
111.73396	0.4
119.04946	24.3
121.02872	0.6
123.04438	3.4
130.06517	0.4
130.08617	2.3
131.05051	0.4
133.06441	0.6
137.05995	0.9
139.03856	0.8
141.10197	0.9
142.08635	39.2
143.09016	0.7
146.06030	0.9
147.04410	100.0
148.04759	2.5
149.02342	2.9
153.01826	4.7
157.02885	1.3
158.06026	1.2
159.11295	19.7
160.11516	0.4
161.05991	1.4
164.07088	5.1
174.05493	0.6
177.05537	0.5
185.02376	1.5
186.05569	0.6
187.69092	0.4
189.05591	0.5
195.02890	0.5
200.41081	0.4
213.05531	0.5
217.04956	1.8
218.08081	2.2
231.06519	2.1
234.07611	1.0
242.08116	0.5
243.57840	0.4
246.07545	1.0
246.11266	7.5
247.11661	0.5
259.06021	2.5
261.13181	0.4
287.05429	0.7
288.12314	5.4
305.05826	1.2
305.14963	7.5
306.09946	0.4
306.15472	0.5
306.26257	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.15
Annotation	NSC 177499
Peak:m/z	Relative Intensity
55.05509	0.9
56.96573	1.1
57.03436	1.0
61.47815	0.8
65.37895	0.8
67.05499	3.2
69.03426	2.3
71.04982	3.8
71.45004	1.1
75.94711	0.8
79.05490	2.0
81.07046	1.8
83.05013	0.9
85.02905	3.3
85.06563	1.9
91.05482	4.2
93.05845	1.2
93.07055	1.3
94.06567	3.6
95.04961	2.6
96.05268	0.9
96.08124	1.1
97.10139	1.9
98.97607	1.3
107.08582	3.5
108.08128	17.3
110.06053	5.7
117.05711	0.9
118.06521	4.3
119.04939	2.6
119.07367	5.7
120.08120	8.7
121.06483	2.1
122.06030	3.3
123.06822	2.0
124.04686	1.3
124.07623	9.2
125.09633	9.0
126.10068	1.0
131.07204	0.8
136.07585	93.7
137.06001	9.1
137.07936	2.7
138.09128	1.3
141.05498	1.2
142.08652	8.5
143.10678	8.8
145.04967	1.0
145.07570	1.0
146.06050	4.6
146.08417	1.4
147.06804	2.2
148.07582	7.4
152.07076	1.9
154.02522	1.3
154.08629	4.0
160.07523	1.2
164.07079	36.0
166.05797	0.9
169.04930	2.3
173.10742	4.7
181.08849	2.1
181.41348	0.8
183.09157	1.1
184.09895	1.4
185.10786	1.8
195.09145	1.1
196.11223	2.9
197.10747	1.5
198.11557	4.0
201.10287	5.4
211.08595	3.0
211.12192	1.3
212.09474	2.8
213.10257	7.7
213.13892	3.7
222.47395	1.0
223.12402	2.2
224.10719	2.6
225.10184	5.9
226.08835	1.6
226.10994	9.5
227.11656	1.2
232.96443	1.2
240.08965	1.5
240.12642	1.7
241.09726	5.9
241.13368	24.5
242.11726	1.2
242.13866	1.2
245.12711	0.9
254.10530	3.0
259.14432	27.2
260.14639	1.5
269.12872	35.2
270.13113	1.6
277.15579	2.9
287.13922	38.9
288.08655	1.1
288.14236	1.5
305.14990	100.0
306.15137	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	305.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.1
55.05509	2.6
56.05046	1.1
57.07071	1.9
60.75957	0.8
67.05502	4.9
67.19498	0.6
69.03426	5.0
69.07066	4.2
69.39990	0.7
69.99829	0.6
70.07040	0.7
70.32421	1.7
71.04981	2.3
71.08675	0.9
74.06093	1.6
79.05496	5.8
81.07053	10.1
83.04972	2.3
83.08610	2.1
85.06530	1.5
88.07632	5.4
89.08005	1.0
91.05469	4.3
93.07045	11.2
94.04236	1.2
95.04965	3.5
95.08609	9.0
97.06509	1.5
103.05494	1.1
105.07034	6.5
107.04910	1.6
107.08609	10.6
109.06524	4.9
109.10159	6.4
111.04441	4.5
111.08104	1.6
115.07554	0.8
117.06957	1.1
119.08585	5.6
121.06500	1.5
121.10146	40.7
122.03646	6.4
122.08144	1.0
123.08055	2.7
123.11716	1.5
125.05989	10.0
125.09613	2.2
131.08565	1.5
133.06488	0.7
133.10118	3.7
135.04367	1.0
135.08084	1.2
135.11664	4.9
137.05975	100.0
143.08574	1.5
145.10107	3.3
146.28345	0.7
147.08089	1.2
147.11688	1.6
149.09625	2.2
149.13155	1.1
151.07545	6.0
157.10100	0.9
159.08002	0.9
159.11716	2.8
161.09613	1.7
161.13245	2.3
161.94563	0.7
163.11169	1.5
163.14774	3.8
165.09067	1.6
167.07072	3.6
169.12198	1.4
170.15465	1.2
173.13187	1.2
175.11278	1.0
175.14796	0.8
177.12752	0.9
181.12202	0.8
182.15437	3.3
185.13287	1.6
187.11162	1.0
191.17937	1.0
201.16409	3.3
203.14320	1.6
215.17937	0.9
217.15878	1.2
219.17458	1.8
220.56851	0.8
227.14250	1.2
231.13606	1.0
244.14633	1.0
245.15381	17.9
246.15880	0.9
256.26382	2.2
257.26733	3.4
269.15378	1.2
269.22665	1.0
273.18616	1.1
287.16428	38.2
287.19669	1.3
287.23630	2.6
288.16714	1.6
304.28384	6.0
305.18082	1.1
305.21075	4.8
305.24783	4.4
305.28696	10.3
306.20822	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Agallochin I
Peak:m/z	Relative Intensity
53.03945	4.9
55.01876	18.5
55.05514	20.7
57.03428	12.1
57.07084	5.3
59.05003	2.7
65.03946	6.0
67.05162	5.8
67.05505	83.9
68.99780	2.3
69.03420	8.0
69.07069	22.4
69.42697	5.1
69.43085	6.6
71.04998	8.0
73.06557	4.3
73.55306	2.2
74.06078	3.4
77.03954	4.1
79.05495	61.6
81.03413	8.3
81.07059	83.5
83.04993	16.1
83.08616	10.3
85.06539	10.3
88.07613	12.3
89.07937	4.2
91.05483	46.4
93.07045	62.8
95.04970	91.5
95.08607	38.7
96.08939	2.8
97.06516	19.2
97.10174	5.0
98.23595	2.7
105.07033	52.3
107.04958	34.3
107.08598	41.1
109.06522	34.5
109.10178	16.4
111.08075	5.4
117.07002	23.9
119.04990	3.9
119.08575	39.7
121.06515	19.3
121.10144	30.8
123.08086	15.1
123.11701	3.5
125.09642	3.8
127.18378	2.5
128.06242	6.1
129.07013	14.6
130.07838	5.5
131.08572	36.4
131.65761	2.5
133.06459	9.2
133.10127	17.4
135.08063	38.2
135.11679	24.6
137.06000	29.0
137.09625	8.3
139.07524	3.2
143.08569	19.4
145.06532	3.9
145.10133	44.4
147.08066	16.9
147.11676	12.6
149.09625	26.6
149.13252	5.5
151.11214	2.9
153.09138	3.3
155.08545	4.3
157.10146	19.6
159.11690	26.4
161.09650	21.4
161.13284	9.5
163.11220	21.7
163.14793	7.2
165.12782	3.9
169.10120	5.0
170.15167	2.7
171.11691	16.1
173.09634	8.5
173.13258	6.3
175.11174	10.0
177.09123	3.1
177.12778	9.2
179.07040	3.0
181.10115	2.7
185.09596	3.2
185.13261	5.0
187.11188	11.2
189.12801	7.9
193.12213	2.8
195.11676	6.4
195.13846	2.8
199.11241	4.8
201.12833	2.9
201.16428	10.0
203.14381	3.6
205.12228	4.4
210.35735	2.9
213.12697	2.7
213.16537	3.5
217.15907	8.0
227.17900	6.4
237.16579	4.4
245.18993	6.3
255.17432	17.1
257.26611	8.0
259.16870	3.0
273.18488	58.3
274.18805	3.3
287.16486	4.5
287.20050	12.0
287.23230	5.0
305.17450	9.8
305.21112	100.0
305.24756	10.5
305.28693	41.7
306.16962	14.9
306.21265	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	Caribenol B
Peak:m/z	Relative Intensity
53.03949	3.0
55.01874	11.1
55.05515	52.6
57.03441	62.4
58.19620	1.6
59.05011	4.1
62.50708	1.5
65.03957	2.2
67.05509	47.8
69.03427	5.8
69.07076	17.7
69.74789	5.4
69.75121	1.7
71.04993	3.8
73.06567	1.5
79.05501	44.2
81.03450	1.9
81.07061	43.9
82.07368	1.8
83.04976	5.7
83.08627	17.8
85.06550	11.3
91.05486	75.8
93.07051	30.4
95.04978	7.1
95.08612	16.6
97.06522	4.7
97.10178	26.6
99.08080	3.1
103.05484	3.4
105.03409	3.3
105.07042	31.5
107.04973	10.3
107.08594	27.0
109.06526	19.2
109.10171	13.6
111.08099	4.5
115.05479	3.6
116.06225	2.9
117.07023	35.6
118.07315	2.0
119.08591	57.5
120.08861	2.0
121.06578	4.0
121.10159	9.2
123.08107	2.6
125.09637	32.5
128.06229	5.0
129.07005	18.1
130.07784	3.5
131.08569	35.9
132.05716	2.3
133.06520	4.4
133.10153	10.8
135.08073	20.8
135.11717	3.3
137.05963	11.2
137.09618	3.0
141.07004	2.9
143.08586	19.0
145.06494	2.3
145.10135	35.3
147.08058	42.5
147.11673	3.3
149.09613	5.4
153.09117	8.1
155.08591	2.8
157.10095	15.9
157.12206	3.6
159.08075	2.0
159.11723	13.8
161.09627	9.8
169.10179	4.1
171.10327	2.4
171.11710	7.6
173.11765	2.5
173.13287	5.8
175.11176	6.8
175.14833	1.7
181.10168	2.0
183.11702	7.0
185.13222	3.9
189.12737	2.4
195.11716	3.5
197.13292	2.8
199.11288	1.8
199.14804	8.1
201.12766	8.4
203.12793	31.6
209.13307	2.3
215.14360	2.3
217.15894	32.9
227.18073	3.3
231.17363	1.9
233.15288	6.6
237.16403	4.7
245.19016	3.5
247.16882	2.0
255.17451	9.8
273.18512	100.0
274.18860	7.2
287.19998	6.5
305.17569	3.8
305.21078	34.9
305.31586	6.1
306.17117	3.6
306.21292	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2112
Annotation	[8]-Shogaol
Peak:m/z	Relative Intensity
51.02382	0.4
53.03940	1.3
54.47802	0.4
55.01872	3.0
55.05513	13.2
56.71851	0.3
57.03429	1.7
57.07068	1.3
58.06582	0.3
59.04990	1.7
65.03938	1.3
65.31588	0.4
67.05161	0.8
67.05505	12.6
69.03422	2.1
69.07070	8.9
71.04996	3.3
71.08648	0.4
71.12253	0.4
73.06560	2.0
77.03915	0.9
79.05495	14.4
81.03410	0.7
81.07059	13.0
83.04998	2.0
83.06676	0.3
83.08627	2.5
85.02923	0.4
85.06548	2.1
85.06976	0.4
87.04468	0.8
91.05482	20.0
92.05835	0.8
93.03397	0.7
93.07046	13.1
94.04197	0.8
95.04961	4.8
95.08608	11.1
96.05815	0.5
97.06515	2.9
97.10166	1.5
99.08118	2.0
103.05460	1.4
105.04535	0.5
105.07030	19.1
107.04958	3.8
107.08599	10.1
107.09184	0.2
108.05727	0.8
109.06515	6.9
109.10162	3.5
111.04446	3.3
111.08055	1.4
112.05236	0.9
113.06000	1.6
113.09639	0.5
115.05440	1.4
116.06235	0.8
117.07021	7.1
119.04961	1.7
119.08585	11.1
121.06503	15.6
121.10142	5.2
122.07298	0.7
123.04437	3.2
123.08075	4.6
123.11699	1.1
124.05255	0.5
125.05985	6.6
125.09618	0.9
126.06795	6.1
128.06207	1.3
129.06998	4.7
130.07774	1.0
131.08566	11.4
132.05707	0.5
133.06490	4.2
133.10130	7.6
134.07259	0.4
135.08063	10.2
135.11676	2.8
136.05170	0.6
137.05980	9.2
137.09639	3.3
138.06706	0.4
139.02090	0.4
139.07547	2.7
139.11180	1.2
140.08360	0.4
141.07001	0.7
142.07756	1.3
143.08565	4.5
145.06483	1.0
145.10121	9.1
146.07275	0.9
146.10481	0.6
147.08046	8.3
147.11682	4.8
148.08765	0.9
149.05968	0.8
149.09622	4.3
149.13261	0.4
151.07552	4.4
151.11185	0.9
153.09015	0.7
155.08537	0.7
157.06520	0.7
157.10121	4.7
159.08063	1.4
159.11711	4.3
160.08847	0.6
161.09628	8.9
161.13278	2.3
162.10312	0.9
163.07477	0.5
163.11176	5.5
165.09122	2.3
165.12738	1.8
167.08525	0.4
167.10770	0.4
169.10114	0.9
171.07985	0.5
171.11687	3.5
173.09625	1.3
173.13263	1.4
175.11186	7.9
175.14763	0.7
176.11951	0.4
177.12726	3.1
179.10663	2.3
179.14212	0.6
180.11470	0.8
181.10037	0.6
181.12268	0.6
185.09645	1.0
185.13280	1.3
187.11185	1.3
187.14809	0.8
189.12733	2.6
189.16373	0.4
190.13522	1.3
191.14288	1.2
193.12247	3.9
195.11633	0.6
199.11214	0.9
199.14803	0.5
201.12724	1.2
203.10612	0.4
203.14326	1.6
203.18051	0.6
205.12067	0.4
205.15866	1.9
207.13808	7.3
208.14555	0.7
213.12747	1.1
213.16251	0.4
215.14291	0.7
217.12231	0.4
217.15941	0.7
217.19533	1.3
219.13704	0.6
221.15305	0.4
227.17822	2.3
235.13257	1.2
236.14059	0.8
237.14723	1.9
245.19031	3.6
247.16840	0.6
249.14914	0.9
249.22151	0.5
255.17453	1.8
257.62589	0.4
259.20557	3.0
263.16458	3.5
269.18967	1.2
273.18530	7.1
277.21606	3.5
287.20099	3.6
291.96350	0.4
305.21106	100.0
305.30435	2.6
306.21414	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	305.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
54.82198	2.1
55.01872	18.0
55.05513	21.4
56.05029	2.8
57.03432	7.1
57.07086	4.4
64.85880	2.2
65.01635	2.0
65.03946	6.3
67.05509	74.9
69.03420	6.3
69.07065	19.5
69.42284	7.3
71.04989	9.2
71.08633	3.7
73.06577	4.8
74.06081	4.0
79.05045	3.4
79.05498	64.8
81.03416	9.4
81.07059	73.7
83.04974	11.4
83.08633	9.0
85.06535	6.2
88.07642	13.9
89.07944	3.6
91.04940	4.4
91.05482	45.3
93.07050	58.8
95.04970	76.3
95.08628	26.5
97.06535	24.7
97.10167	5.3
98.23477	4.5
99.08115	4.1
101.74464	2.4
103.05476	3.6
105.07024	38.3
107.04957	33.7
107.08594	27.0
109.06519	35.7
109.10165	8.0
109.53101	2.4
111.08094	4.6
115.05454	3.0
117.07032	25.7
119.08588	31.9
121.06520	19.2
121.10136	22.3
122.08150	2.9
123.08086	14.2
125.09612	6.4
126.10798	2.2
129.07025	15.8
130.07838	2.8
131.08580	30.3
133.06512	8.1
133.10155	18.3
135.08067	26.0
135.11696	17.1
137.06001	18.3
137.09634	8.3
141.06976	4.2
142.07745	2.5
143.08566	18.7
145.06558	3.2
145.10127	34.6
147.08047	15.2
147.11693	11.4
149.09618	25.1
149.13216	4.8
151.11237	2.6
155.08598	6.2
157.10112	13.0
159.07957	3.9
159.11710	15.8
161.09621	22.7
161.13235	7.1
163.11200	22.7
163.62790	2.2
169.10098	7.4
171.11681	16.5
173.09587	4.8
173.13222	3.3
175.11217	10.0
177.12764	7.9
183.11755	3.9
185.13283	6.9
187.11095	7.2
189.12712	5.3
191.10667	4.3
195.11700	2.6
199.11154	5.0
199.14847	4.9
201.12764	3.6
205.12254	5.2
213.16463	5.3
227.17928	6.8
237.16385	7.5
245.18988	6.9
255.17406	13.8
257.26794	14.7
273.18488	67.8
274.18826	3.5
277.21664	2.7
287.20291	11.2
287.22937	3.0
295.22134	2.7
305.17447	10.5
305.21091	100.0
305.24936	5.0
305.28772	49.8
306.17020	8.1
306.21399	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.01876	6.0
55.05511	28.2
56.82443	3.3
57.07068	7.9
59.05005	9.7
67.05504	23.2
67.78358	3.9
69.03429	4.6
69.07066	21.2
69.43725	16.9
70.06602	4.4
71.04988	14.1
71.08642	4.5
73.06568	3.3
79.05492	26.3
81.07056	72.8
83.04994	8.9
83.08622	11.1
85.06537	8.5
88.07636	8.3
91.05478	20.6
92.22466	3.3
93.07056	45.8
93.73974	3.3
95.04974	8.9
95.08601	40.6
97.06550	7.9
97.10165	8.5
99.08103	4.7
102.15849	3.8
105.07023	42.0
107.08587	56.1
109.06521	13.8
109.09490	5.3
109.10149	29.3
110.10384	3.6
111.04430	7.3
114.84374	3.5
117.07033	5.3
119.08566	38.5
121.06518	7.6
121.10136	42.5
123.08049	8.5
123.11717	9.3
125.09626	20.2
127.11241	6.3
131.08565	14.2
133.10104	19.8
135.08026	6.1
135.11690	10.5
137.05981	100.0
137.07016	7.0
137.09637	8.5
139.11157	4.9
143.08557	3.9
143.10686	10.1
145.10106	25.6
147.11681	29.4
149.09644	7.4
149.13266	41.9
151.11250	4.8
155.10658	5.3
157.10115	9.9
159.11687	17.2
161.09662	8.5
161.13246	12.0
165.12814	12.1
171.11658	6.9
173.13254	8.9
177.12894	4.3
179.10704	3.6
185.13199	4.4
187.14816	6.6
189.16405	6.7
193.12233	3.8
199.14822	5.6
201.16405	20.6
203.17917	9.7
211.03249	3.4
212.84840	4.2
213.16377	6.4
215.17992	5.3
229.19580	6.4
245.19066	5.6
259.20511	3.9
273.18442	6.1
287.20279	6.3
287.23663	16.5
304.31146	5.3
305.17224	29.8
305.21054	42.7
305.24756	31.4
305.28552	10.8
305.31610	35.3
306.17270	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	305.2476
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.02339	1.7
53.03946	3.3
55.01873	9.5
55.05255	2.7
55.05512	45.5
56.05839	2.7
57.03432	7.1
57.07068	10.0
59.04992	14.4
65.03937	2.7
67.05157	3.2
67.05505	47.9
68.05831	6.1
69.03425	6.7
69.07072	33.6
70.07409	4.2
71.04997	11.4
71.08648	3.2
71.45627	1.7
73.06546	2.5
77.03931	2.2
79.05491	38.6
81.07056	73.8
82.07383	3.6
82.90353	2.0
83.04981	6.9
83.08620	18.8
83.86340	1.8
85.05303	3.0
85.06562	5.9
87.04478	2.9
91.05482	40.5
93.07046	68.3
93.22929	2.1
95.04963	11.2
95.08604	49.1
96.08945	3.8
97.06542	10.5
97.10163	22.3
98.06059	11.6
99.06383	3.5
99.08072	9.5
105.03338	2.0
105.07028	46.0
107.04942	3.8
107.08593	100.0
108.08945	2.1
109.06522	8.2
109.10160	39.3
111.08084	4.5
113.09642	2.3
115.05496	2.2
115.07602	2.2
117.07050	14.4
119.08572	67.5
120.08980	2.2
121.06535	4.1
121.10141	44.9
122.10516	2.8
123.04417	8.4
123.08067	3.7
123.11707	15.8
125.09618	34.0
127.07536	4.0
127.11190	8.9
129.06981	6.1
129.09053	2.6
130.07773	2.3
131.08568	20.1
133.06470	2.8
133.10123	29.6
135.08046	8.5
135.11684	17.3
137.05989	21.8
137.09615	6.7
137.13243	3.4
139.11189	5.3
141.09094	4.3
142.07735	2.5
143.08531	9.0
143.10692	20.0
145.10124	41.2
147.08011	12.9
147.11682	30.7
149.09628	2.8
149.13257	66.9
151.11186	4.9
153.09120	5.5
155.10707	3.3
157.10147	13.6
157.12234	3.4
159.11670	25.2
161.09627	4.5
161.13275	15.8
163.11118	3.4
163.14854	7.4
165.12750	2.7
169.10094	2.6
169.12242	5.4
171.11693	9.2
173.13242	9.8
175.11278	2.2
175.14813	5.0
177.12790	4.2
177.16284	4.0
185.13271	5.5
187.14822	6.0
189.16415	10.2
191.17998	2.4
199.14821	7.1
201.12695	1.9
201.16368	25.1
203.12764	13.8
203.17941	16.1
205.12219	2.1
213.16380	7.0
215.17915	8.8
217.15848	4.3
217.19514	6.8
227.17957	4.4
229.19502	4.8
231.17560	2.7
245.18939	4.0
259.24261	2.9
269.22601	10.4
273.18494	36.5
274.19077	2.6
287.20255	3.1
287.23648	24.1
287.53983	2.2
288.23978	2.1
304.31345	4.0
305.15732	4.2
305.21063	28.8
305.27127	90.7
305.31396	12.0
306.21652	2.1
306.24890	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	305.2478
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
55.01874	8.5
55.05519	37.2
57.03438	7.2
57.07071	10.8
57.73245	4.3
58.06596	10.2
67.05504	46.9
69.03432	57.9
69.07076	54.3
69.80160	13.8
70.06607	6.5
71.05004	10.5
79.05497	30.4
81.07058	100.0
83.04993	7.7
83.08624	28.5
85.06545	7.4
91.05486	47.0
92.05815	13.2
93.07047	61.6
94.07336	5.6
95.04980	13.1
95.08611	94.1
97.06533	30.8
97.10207	11.4
99.08091	7.6
104.99310	6.7
105.07031	50.3
107.04944	10.3
107.08597	85.5
109.06516	18.3
109.10165	51.1
111.08096	10.7
111.11694	10.6
113.09629	5.7
119.08585	41.3
121.06509	10.8
121.09369	7.9
121.10157	68.3
123.08083	12.8
123.11733	26.2
125.09628	47.3
129.07048	4.6
131.08571	13.5
133.10121	48.8
135.08044	7.2
135.11707	37.5
137.05975	29.0
137.09581	7.9
137.13261	31.2
139.11177	54.8
143.08582	8.8
145.10121	20.2
147.11693	25.2
149.09636	9.4
149.13278	44.1
151.11209	20.2
157.10187	7.0
159.11720	17.3
161.13245	27.1
163.11189	7.6
163.14848	11.7
165.12796	9.4
171.11711	9.1
173.13257	17.8
175.14813	7.4
177.12750	9.0
177.16313	8.2
179.14308	5.2
181.12277	10.4
187.14775	14.9
189.16432	8.0
199.14832	10.5
200.39366	4.1
201.16428	8.6
203.17949	18.0
213.16341	19.1
219.17578	6.0
221.18967	10.2
227.18024	5.3
269.22717	29.1
273.18527	11.7
287.20502	7.5
287.23618	32.7
304.31198	5.2
305.21060	22.2
305.24759	76.0
305.30975	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	305.2477
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03928	3.6
55.01886	4.1
55.05510	19.6
57.07077	12.9
59.05005	4.1
61.98433	4.0
64.93147	2.8
67.05502	26.4
68.05833	3.8
69.07061	19.9
71.05000	36.8
71.08626	4.6
79.05496	43.0
80.05834	12.2
81.07056	100.0
82.07405	7.2
83.04935	3.3
83.08595	10.1
86.17052	3.4
89.06019	9.7
91.05481	28.8
92.05811	8.4
93.07048	47.9
94.07371	6.8
95.04958	7.2
95.08603	62.7
97.06525	35.7
97.10151	5.4
98.23528	5.8
99.08086	8.1
103.52896	3.0
105.07027	53.5
106.07345	6.5
107.08592	58.7
109.06530	5.6
109.10149	42.2
111.97517	3.4
119.06743	3.5
119.08585	43.2
121.10158	35.5
122.10522	4.9
123.08113	3.8
123.11713	21.0
125.09634	4.9
126.95585	3.3
127.11172	7.8
131.08551	10.1
133.10121	25.0
135.08090	4.7
135.11678	50.4
137.06065	5.0
137.09584	6.0
137.13255	5.7
143.08522	5.0
145.10143	21.8
147.11713	27.1
149.13312	11.4
153.12730	20.9
157.10121	6.2
158.11034	4.0
159.11679	11.6
161.13240	10.3
163.14790	4.3
171.11696	5.1
173.13286	9.2
175.14835	14.1
179.14310	5.7
185.13283	4.8
187.14766	4.1
189.16409	8.2
191.14189	3.9
191.17955	7.1
193.15872	10.8
199.14783	6.0
201.16429	30.1
203.17940	4.4
215.18068	3.7
243.21120	4.2
269.22607	9.0
287.23685	11.9
305.22668	38.9
306.17108	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	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02178	0.1
51.02382	0.1
52.03167	0.1
52.77343	0.1
55.01871	0.1
55.05516	0.1
57.03424	0.1
57.07074	0.2
58.02964	0.4
58.49698	0.1
65.03933	0.1
66.04717	0.2
67.05499	0.4
69.07068	1.4
69.85679	0.1
69.86002	0.1
77.03911	0.1
79.05502	0.6
79.57533	0.1
81.07062	0.9
83.04997	0.1
83.08630	0.1
84.08135	0.2
86.06056	0.1
91.05481	0.5
93.07040	0.5
94.04183	1.7
95.05026	0.1
95.08605	0.3
97.06545	0.3
98.22797	0.1
100.07620	0.2
105.03394	0.1
105.07070	0.3
107.04919	0.3
107.08585	0.6
108.08952	0.1
109.06510	0.3
109.10152	0.7
111.08099	0.1
111.11739	0.1
114.09175	0.4
122.03646	6.3
123.03999	0.1
123.11686	0.1
126.09103	0.3
133.10120	0.9
135.04391	0.1
135.11694	1.2
137.05975	100.0
138.06310	2.7
138.12782	0.2
147.11574	0.1
151.11194	0.4
153.12732	1.0
165.12721	0.2
170.15399	1.5
171.15752	0.1
182.15408	2.3
183.15814	0.1
278.02164	0.1
306.20557	0.8
314.40558	0.1
320.21014	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	306.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52026	4.0
53.26331	4.1
55.01891	4.5
55.05513	12.7
57.03421	5.5
57.07076	9.3
67.05515	26.6
69.03442	5.8
69.07067	15.4
69.99261	7.6
71.04973	8.0
71.08640	6.1
71.69387	5.0
72.04512	38.2
78.45719	4.2
79.05492	12.5
81.07056	24.4
91.05481	13.9
93.07037	22.3
95.04984	25.9
95.08620	41.1
97.06552	10.6
98.23347	5.0
99.08106	11.0
105.07034	18.0
107.08598	13.1
109.06516	32.3
109.10166	12.7
114.09164	14.9
116.98658	4.7
117.07058	8.0
119.08604	12.7
121.06519	7.5
121.10130	8.2
131.08556	11.8
133.10144	11.8
135.08113	8.0
137.09642	75.6
145.10118	10.0
147.11728	7.6
149.09634	7.2
154.12282	5.1
161.13257	4.8
163.11235	7.6
165.12759	82.8
173.13326	10.3
175.11179	4.8
182.15413	9.2
191.14346	22.1
201.16510	6.1
220.17062	7.1
236.19978	21.0
261.03091	13.0
261.22360	8.0
288.23303	9.2
289.21567	52.5
306.16943	7.3
306.24231	100.0
307.24518	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
53.62230	0.1
55.01863	0.7
55.05513	7.0
56.05032	0.2
57.03437	0.3
57.07074	0.9
57.94697	0.1
58.06605	0.2
65.03934	0.5
67.05506	10.9
68.05823	0.2
69.03419	0.2
69.07069	7.8
69.95838	0.1
69.96163	0.2
70.06584	0.1
70.07402	0.1
71.04984	0.3
71.08620	0.2
72.04513	0.4
73.06548	0.2
78.95624	0.1
79.05495	2.8
81.03434	0.2
81.07058	8.7
82.06573	0.4
82.07375	0.2
83.04971	0.4
83.08621	2.5
84.04500	0.2
84.08146	0.2
84.08957	0.1
85.05287	2.3
85.06538	0.1
86.06065	0.9
89.06380	0.1
91.05479	1.5
93.07050	2.0
94.06553	0.1
95.04973	0.7
95.08609	5.5
96.08109	0.5
96.08942	0.1
97.06516	0.5
97.10159	1.4
98.06053	14.5
98.09667	0.2
98.22803	0.2
99.06325	0.2
99.06885	0.3
99.08111	0.1
105.04488	0.1
105.07043	1.2
107.08590	1.7
108.08124	0.2
109.06518	1.0
109.10159	2.0
110.09682	0.6
110.10390	0.1
111.04415	0.6
111.08073	0.2
111.11699	0.2
112.07606	2.0
119.08575	0.9
120.08082	0.2
121.10136	1.1
122.09671	0.1
123.08076	0.3
123.11688	0.5
123.12526	0.1
124.07577	0.4
124.11238	0.4
125.08386	0.1
125.09641	0.2
126.09143	0.5
127.09934	0.1
129.06975	0.2
131.08560	0.4
133.10117	0.8
134.09572	0.1
135.08040	0.1
135.11682	0.4
137.06018	0.7
137.09618	0.3
137.13284	0.2
138.09166	0.3
139.11165	0.2
140.10736	0.6
145.10162	0.2
147.11667	0.4
149.09610	0.3
149.13257	0.1
152.10710	0.3
154.12228	0.8
159.11700	0.3
161.13254	0.3
163.11211	0.1
165.12762	0.2
166.12234	0.3
166.63365	0.1
168.13849	0.5
171.11700	0.2
173.13297	0.3
180.13817	0.3
182.15358	0.6
194.15358	0.3
196.16956	0.5
208.16959	0.8
210.18530	0.3
222.18578	0.8
224.20107	0.2
236.20087	0.6
247.20547	0.2
250.21579	0.3
251.16335	0.2
257.18887	0.1
261.03015	0.2
275.20038	1.1
289.21704	0.3
306.27902	100.0
307.22830	2.0
307.28220	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	306.902
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67957	0.4
70.50748	0.9
78.95631	9.0
83.55118	0.4
84.08128	0.6
86.64594	0.4
94.93012	48.4
96.92258	0.8
98.22834	0.6
102.35448	0.4
112.89603	100.0
114.89335	27.5
116.89120	2.1
123.33433	0.4
150.91939	1.6
160.49210	0.4
161.94803	0.5
174.89644	2.5
190.91205	11.6
196.87784	4.0
202.89090	85.7
203.89464	0.8
206.86935	0.5
206.88535	3.1
208.97232	2.9
212.85165	6.7
216.90706	2.8
218.92241	2.4
231.93816	1.2
232.92244	72.5
233.92700	0.6
244.90143	3.3
246.88106	3.6
248.89632	21.3
249.89726	0.4
270.81146	1.1
273.83701	0.4
306.85648	4.7
306.90146	4.1
307.18668	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86412	1.1
56.96568	1.7
57.69335	1.2
58.81819	1.2
60.27018	1.4
70.99879	1.3
71.07291	2.0
81.03431	1.2
82.99841	3.0
85.02900	2.5
91.88960	1.2
94.93016	3.4
97.01411	1.9
97.02884	1.2
98.97586	1.9
99.04489	1.5
101.00883	40.2
101.01549	2.5
102.00959	2.0
109.02925	1.6
112.89619	9.3
113.00886	2.6
114.89317	2.6
115.02444	13.2
119.01929	100.0
120.02052	4.7
127.03934	5.3
129.04010	5.0
131.01903	9.7
133.03473	15.6
133.08900	1.6
134.12718	1.2
137.02969	18.2
138.03134	2.6
138.38394	1.1
143.01921	8.4
144.99794	2.1
145.03499	2.6
147.01465	1.7
147.05019	4.5
148.11214	24.9
149.03000	2.4
151.04503	1.4
157.03458	2.5
159.01392	3.3
161.02969	17.9
168.99829	12.0
171.01476	2.9
173.03017	5.9
175.19073	1.2
177.02443	11.2
187.00885	32.2
189.02480	1.8
191.04051	3.2
196.99260	6.5
199.00929	1.7
201.02538	2.6
202.89119	19.6
205.01971	14.4
215.00365	36.9
215.02361	2.0
216.00545	1.8
217.02043	3.0
219.03491	11.4
223.00259	1.5
229.01970	20.7
232.90152	1.6
233.01453	4.5
247.03004	68.0
248.03262	3.7
261.03140	5.1
265.04068	14.0
270.04431	1.6
289.04010	8.8
306.90054	1.4
307.04858	10.5
307.07870	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	307.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46956	0.4
50.78966	0.4
55.38678	0.5
55.93529	0.4
56.96568	1.1
70.44453	0.6
73.50275	0.4
98.97588	2.5
98.98468	0.5
101.00899	2.4
107.49969	0.4
110.97579	0.7
116.98637	1.3
119.01923	6.8
122.07160	3.5
128.66901	0.5
128.98616	0.5
131.01884	0.5
133.03471	0.5
134.99709	0.6
137.02943	1.3
144.04791	1.6
146.99667	1.0
147.04385	0.7
148.11220	6.2
152.07059	1.2
155.01022	0.5
158.99838	1.5
161.02946	0.6
164.08171	2.9
174.99101	0.5
177.00960	8.7
178.01044	0.7
182.99773	0.5
183.01181	0.6
187.00848	0.7
190.01314	0.6
191.01717	0.5
201.00899	2.0
205.00195	0.5
215.00354	0.7
217.04074	2.1
219.02008	17.0
220.02074	1.0
221.66566	0.4
225.00882	2.6
229.01939	0.6
237.02792	0.8
242.96042	0.6
243.01990	10.5
244.02055	0.6
247.03000	1.1
261.03064	100.0
262.03214	9.7
263.03577	0.7
265.00714	0.8
265.05881	1.1
266.03680	0.5
284.04758	3.6
307.06314	1.2
307.12555	0.9
308.15805	0.5
308.18860	0.5
325.02045	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.17544	1.9
67.97672	1.7
70.37575	3.1
71.59751	1.9
94.93014	5.9
95.13538	1.7
101.00883	7.6
112.89610	28.3
114.89342	8.2
115.02444	2.8
119.01930	9.5
131.01950	2.9
148.11174	2.4
155.01920	1.9
157.03418	2.6
168.99678	2.5
187.00916	2.6
198.60910	1.7
202.89093	18.6
215.00365	3.7
229.01970	1.7
232.92232	2.7
235.68292	2.6
247.03032	7.1
261.62296	2.0
265.07571	2.3
298.97552	1.8
307.07913	100.0
308.08167	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	307.0813
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
50.35209	0.6
58.43376	0.6
68.99783	3.2
69.37897	1.6
69.38274	1.7
71.01356	3.0
76.67761	0.7
79.91570	0.6
81.03417	3.8
85.02911	11.1
98.22740	1.0
99.04466	1.8
103.05509	0.7
107.04939	1.4
109.02885	3.2
111.04390	1.0
113.02357	1.1
121.02802	0.9
123.04427	14.0
127.03915	100.0
128.04240	1.6
131.04915	1.1
135.04422	21.8
139.03923	2.8
141.06960	1.5
147.04457	0.7
148.11250	2.0
149.05939	1.6
152.97150	0.8
153.01881	1.1
155.03389	71.5
156.03699	2.3
158.82777	0.7
159.04449	1.7
161.05962	1.3
163.03906	25.9
164.04210	0.9
164.32234	0.7
167.03395	2.9
173.06026	2.3
177.05515	1.6
187.03879	4.0
197.05945	1.9
201.05399	1.9
203.06903	1.2
203.54497	0.7
205.04929	1.2
215.07118	1.7
229.05075	1.6
242.52930	0.8
243.06538	2.4
247.05957	1.3
271.06000	13.8
289.07050	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	307.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
61.95124	0.8
65.26273	0.9
69.03421	1.4
71.04997	1.4
98.98465	1.6
111.08091	1.1
139.76913	0.9
155.01044	3.1
191.08121	6.4
219.01872	1.4
232.07071	27.4
232.09322	1.9
233.07506	1.4
261.03091	4.4
276.09744	2.7
277.10535	1.3
296.44733	0.9
307.11530	100.0
308.11819	3.5
308.18481	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	307.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10098	0.2
55.05528	0.2
63.02375	0.4
70.06596	0.2
70.63249	0.3
72.04536	0.4
72.08163	1.8
89.03911	4.2
91.05495	0.6
93.07047	0.4
95.08619	0.7
98.06059	0.4
98.98475	0.3
103.05495	0.2
106.04202	0.4
107.08595	0.2
113.10744	0.6
114.08369	0.3
114.09167	5.5
115.08688	0.9
117.03377	18.3
118.03654	0.4
119.04950	0.3
121.06502	0.3
130.06537	0.4
131.11806	16.7
132.80510	0.2
134.03642	1.0
135.04437	0.9
145.02846	53.7
146.03191	1.4
147.04369	0.5
149.05978	6.0
157.07674	0.3
157.09727	3.0
158.05988	0.6
163.03854	0.6
177.05469	100.0
178.05798	3.1
186.05502	0.9
189.01935	0.4
207.02925	0.3
247.07533	0.3
261.03207	0.3
261.08789	0.4
307.06363	1.4
307.09067	0.3
307.11404	1.0
307.16541	5.6
308.06616	0.7
308.18768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37088	0.2
55.57764	0.2
65.03946	0.3
67.05498	0.9
69.03413	0.3
71.26197	0.3
72.04504	2.2
72.08132	0.5
84.08143	4.0
91.05484	5.7
98.98449	0.3
107.04930	0.3
114.09169	10.4
119.04941	20.0
120.05275	0.7
123.04423	0.3
125.10760	0.7
126.09150	9.1
138.06358	0.3
139.03888	0.3
140.04243	0.5
141.04358	0.6
143.11797	27.4
144.12123	0.6
145.02840	0.7
145.15712	0.2
147.04404	100.0
148.04738	3.0
155.01067	0.3
161.11539	0.4
161.12857	7.0
169.09741	1.0
177.05495	1.1
191.08159	2.2
218.11813	0.5
230.11771	0.7
247.14371	0.9
289.15457	21.8
290.15714	0.9
307.12631	1.2
307.16486	2.1
307.20026	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1651
Annotation	Metacytofilin
Peak:m/z	Relative Intensity
57.84740	0.4
65.03947	0.5
70.06564	0.5
72.08155	24.5
74.45741	0.4
81.07052	0.5
81.16776	0.4
84.08141	12.4
88.03970	0.4
91.05482	7.2
98.06034	0.7
98.98424	1.0
99.08115	0.6
101.10796	1.0
114.45766	0.5
119.04941	25.2
120.05194	0.6
120.08085	1.2
126.09166	3.7
127.03855	0.5
127.07633	0.5
127.08620	0.5
139.03885	1.1
143.11780	2.7
144.10193	16.3
145.08588	0.7
146.05991	2.2
147.04404	100.0
148.04709	2.4
155.01038	0.6
161.12851	20.3
163.03831	0.9
169.09898	0.6
174.05525	0.5
187.10800	0.8
191.03360	2.9
204.10214	5.0
206.54080	0.5
218.11707	3.5
240.91031	0.4
247.14436	2.7
261.03055	0.8
307.16510	45.0
308.16895	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03942	5.9
55.01867	12.0
55.05514	35.0
57.03434	25.1
57.08720	1.8
59.04986	1.7
59.91980	2.0
65.03952	3.0
65.17992	1.7
67.05508	36.2
69.03422	8.5
69.07069	14.0
69.40170	4.3
69.40554	5.8
71.04994	4.3
77.03932	2.1
78.31834	1.7
79.05495	43.8
81.03416	14.8
81.07058	30.9
83.04984	11.2
83.08628	18.5
85.06548	4.0
91.05487	37.6
93.07046	24.3
95.04975	22.9
95.08604	13.6
97.06536	78.6
97.10169	24.3
98.98413	2.7
103.05466	3.7
105.04514	3.7
105.07037	22.1
106.70164	1.7
107.04963	14.7
107.08592	19.1
109.06528	29.7
109.10171	9.4
111.04441	2.7
111.08084	3.9
115.05469	3.1
117.07060	10.3
119.08595	19.4
121.06510	100.0
121.10132	8.6
123.04448	3.6
123.08068	8.4
125.06002	4.4
125.09620	11.5
129.07016	7.7
131.08565	14.2
133.06499	5.6
133.10135	6.6
134.91005	2.1
135.08038	14.6
135.11758	3.1
137.05934	4.2
137.09627	7.8
139.07530	2.2
141.06996	2.8
142.07809	1.9
143.08571	4.0
145.06456	2.7
145.10107	9.2
147.08054	11.1
147.11684	5.5
149.09604	8.5
151.07523	5.5
155.08586	3.7
157.10133	5.5
159.08063	39.5
159.11732	4.2
160.08517	2.9
161.09592	8.8
163.07535	4.3
163.11214	3.0
165.09102	3.4
167.43053	1.8
169.10109	3.9
171.11685	3.9
173.09610	5.1
173.13213	3.0
175.11197	2.4
177.09152	3.8
177.12747	2.0
179.10736	2.0
185.09610	4.7
187.14738	2.9
189.11118	3.2
191.10710	4.6
193.12239	5.3
197.09682	2.8
199.11179	2.4
205.15941	2.4
211.11351	2.5
211.13287	3.1
215.14372	4.4
219.13803	4.8
223.13327	3.2
223.15361	2.0
233.13297	1.9
233.15295	10.3
243.17412	3.6
253.15868	8.1
261.03088	4.6
261.18549	6.9
263.16330	2.2
271.16919	16.7
289.17978	75.9
290.18222	4.0
307.15146	17.5
307.18988	42.5
307.26590	2.3
308.18661	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	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.05515	7.6
57.03450	1.8
57.07074	2.1
62.12254	1.3
67.05509	7.4
69.03428	1.2
69.07079	8.5
71.04984	2.6
71.45915	2.0
79.05503	6.1
80.05796	1.9
81.07062	10.3
83.05028	1.5
83.08622	4.7
84.38059	1.4
85.06532	3.3
91.05473	7.5
93.07040	9.7
95.04984	4.6
95.08595	12.6
97.06554	2.4
97.10191	1.7
98.98486	3.8
99.08105	3.9
105.07045	10.0
107.04980	3.5
107.08598	11.1
109.06521	4.5
109.10169	7.9
117.07067	2.2
119.08586	32.0
121.06509	100.0
121.10151	7.2
122.06813	2.2
123.08103	4.4
123.11726	3.0
128.06215	1.9
129.06981	3.3
131.08580	6.9
133.06544	3.6
133.10135	11.1
135.08063	6.5
135.11726	5.2
137.06049	2.0
141.07051	1.7
142.07820	4.6
143.08595	10.1
145.06474	1.5
145.10147	11.6
146.07323	2.2
147.08060	33.8
147.09163	2.9
147.11716	6.3
149.09605	3.9
149.13304	1.5
151.07576	2.5
155.08589	1.7
156.09372	5.1
157.10141	17.3
159.08070	5.9
159.11702	13.7
161.09618	37.9
161.13237	2.7
163.14879	1.8
165.05486	19.8
169.10133	13.6
170.10854	2.8
171.11705	17.9
173.09663	10.3
173.13329	5.6
174.10355	1.8
175.11208	14.8
175.14900	2.2
183.11732	7.2
185.13234	12.5
187.07506	2.1
187.11148	9.9
187.14857	3.9
189.12750	54.6
189.16364	14.1
190.13261	1.8
191.07208	1.6
201.09016	3.1
201.12814	2.7
201.16385	3.9
203.14319	2.0
203.17989	3.3
205.08556	2.7
207.10155	2.4
210.13962	1.5
211.14842	1.5
213.12820	2.4
215.10634	2.4
215.18066	7.7
219.02029	1.4
225.16333	11.2
227.17972	15.7
229.15855	2.8
231.13753	1.5
233.11826	2.7
243.17491	32.6
244.17651	2.4
245.18982	13.1
253.15926	5.5
261.03079	7.3
261.18546	3.5
271.16943	21.8
278.95486	1.6
289.17993	49.5
290.18347	3.2
307.15323	4.8
307.19064	6.1
308.18799	2.0
312.97812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03940	2.3
55.01875	9.0
55.05514	14.4
57.03183	1.5
57.03439	19.3
59.04997	0.9
65.03941	1.8
67.05160	1.3
67.05507	18.4
69.03429	3.2
69.07063	5.2
69.55170	3.5
71.04981	3.5
77.03925	1.3
79.05047	1.6
79.05495	19.6
81.03421	35.5
81.07058	16.7
83.04990	4.1
83.08632	4.5
85.02889	1.5
85.06550	6.8
87.04452	0.9
90.15303	0.7
90.90835	0.8
91.05477	22.7
92.72467	0.8
93.07045	18.0
95.04969	28.6
95.08607	12.1
96.05312	0.9
97.02865	0.9
97.06545	3.9
97.10167	7.3
99.04465	1.4
101.06002	1.2
103.05481	1.6
105.04529	2.1
105.07031	13.1
107.04956	100.0
107.08590	8.5
108.05298	2.4
109.06520	37.6
109.10152	4.4
111.04429	2.1
111.08083	1.9
113.06013	11.6
115.05470	1.8
117.07020	6.4
119.04927	1.1
119.08587	11.0
121.06506	35.8
121.10148	2.4
123.04420	2.5
123.08077	14.2
125.09620	4.7
128.06226	1.2
129.06996	9.2
131.08551	6.8
133.06497	6.5
133.10126	5.8
135.08066	13.6
137.05952	1.5
137.09607	5.0
141.06950	0.9
141.09093	2.7
143.08582	4.8
145.06482	3.0
145.10112	4.9
147.08063	7.2
147.11682	3.8
149.06009	3.9
149.09639	3.5
151.07487	3.7
151.11205	0.9
153.09122	2.2
155.08589	3.2
156.07884	0.9
157.10127	6.3
159.08081	14.9
159.11693	1.4
161.09599	4.4
163.07549	3.4
163.11276	0.8
165.09117	33.7
166.09444	1.7
169.10083	1.7
171.10432	1.1
171.11707	6.2
173.09676	4.7
173.13208	1.5
175.07594	0.8
175.11189	10.2
177.09109	2.5
179.10675	1.2
181.10161	0.9
183.11702	0.8
185.09612	1.1
187.11121	1.5
187.14902	0.8
189.11217	2.1
189.12737	4.2
191.10725	6.9
193.12210	1.1
197.13278	1.8
199.11130	6.6
205.12234	1.9
205.15923	1.1
209.03133	0.8
215.14275	2.7
217.12233	11.7
219.13806	1.2
227.39531	0.7
233.15372	13.7
234.15340	1.3
235.13283	44.2
236.13614	2.7
243.17389	2.8
245.22906	1.0
253.15865	4.7
261.03110	2.7
261.18445	4.8
271.16919	10.4
289.17975	37.7
290.18201	1.6
307.09781	0.9
307.15164	4.0
307.19016	21.7
307.26563	2.6
308.18713	5.3
308.22083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53336	1.5
51.02365	1.7
53.03951	5.5
55.01879	8.3
55.05515	21.2
57.03445	12.3
65.03943	3.2
67.05505	27.4
69.03431	3.8
69.07063	9.7
69.90433	4.1
71.05012	2.3
77.03941	4.3
79.05499	33.6
81.03419	8.9
81.07062	26.4
83.04987	13.7
83.08630	12.5
91.05480	54.8
92.05857	1.6
93.07050	89.5
94.07395	2.3
95.04968	26.5
95.08602	17.3
97.06533	3.8
97.10187	10.2
98.23388	2.1
98.98435	2.8
103.05475	15.0
105.04482	7.4
105.07036	27.2
107.04955	21.6
107.08599	15.3
109.06529	8.2
109.10147	6.7
111.08092	4.8
117.07033	9.7
119.05017	1.4
119.08588	13.1
121.02854	12.2
121.06514	100.0
121.10147	9.6
122.06833	2.0
123.04421	2.1
123.08074	6.5
125.06020	1.4
125.09637	9.8
128.06227	1.9
129.07004	4.7
131.08571	14.7
133.06540	12.5
133.10127	5.7
135.04398	2.5
135.08063	14.6
136.17982	1.4
137.05991	4.0
137.09651	9.8
139.07556	1.9
141.06992	2.9
142.07732	2.4
143.08551	3.2
145.06487	4.1
145.10069	7.5
147.08047	7.1
147.11699	2.7
149.05984	5.8
149.09590	9.5
151.07611	3.0
153.09128	5.0
155.08559	1.6
157.10144	2.5
159.08055	6.4
159.11691	4.0
161.09622	4.8
163.07549	13.0
165.09190	1.7
167.10703	4.4
169.10080	2.3
171.11720	3.2
173.09604	5.2
175.11266	1.5
177.09189	2.9
183.11690	2.1
185.13286	1.9
187.11208	1.6
189.11217	5.4
191.10637	3.1
195.10138	4.1
195.18512	1.3
199.11147	1.8
215.14388	2.3
217.12251	2.3
219.13814	2.3
225.16360	1.7
233.15425	4.6
235.13173	2.9
243.17517	4.1
253.15799	4.1
261.03094	4.0
261.18576	8.0
271.17004	10.6
289.17999	49.5
290.18283	4.2
307.19031	28.2
307.26669	2.7
308.18518	7.9
329.72617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1905
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03946	1.8
55.01875	13.4
55.05514	36.5
57.03439	31.3
67.05508	27.5
69.03425	3.7
69.07063	7.5
69.32545	8.4
71.04971	2.5
79.05495	33.5
79.41593	1.6
81.03409	6.8
81.07064	17.4
83.04977	3.3
83.08628	11.2
91.05483	22.5
93.07047	23.3
95.04966	8.8
95.08611	6.8
97.06525	3.3
97.10165	20.4
103.05505	2.1
105.07056	11.9
107.04948	20.1
107.08591	16.4
109.06510	10.2
109.10144	9.7
111.08086	3.3
115.05434	3.1
117.07030	13.0
119.08591	15.5
121.06508	15.5
121.10105	2.4
123.04442	2.3
123.08079	4.0
125.09649	15.7
129.06995	4.3
131.04878	3.5
131.08578	8.8
133.06488	2.4
133.10126	5.4
135.08075	17.1
137.09598	4.0
141.07074	2.4
143.08583	4.1
145.06485	4.3
145.10136	5.2
147.08089	8.3
147.11635	2.4
149.05984	18.3
149.09602	3.5
153.09070	4.7
155.08568	3.0
157.10110	3.4
157.42438	1.7
159.08055	47.5
159.11702	2.2
160.08659	2.7
161.09647	6.5
163.07599	3.2
165.09114	3.2
169.10103	2.8
171.11700	3.7
173.09631	5.2
173.13365	2.2
177.09146	4.0
179.10713	1.8
183.11719	2.8
185.09657	4.2
187.14859	3.8
189.11232	6.5
191.08772	1.4
193.12177	1.9
199.11180	2.8
205.15892	2.0
211.11304	2.2
215.14325	8.8
225.16438	1.9
227.17824	2.1
233.15411	19.5
235.13188	2.1
243.17453	6.5
253.15968	8.6
261.02988	2.4
261.18561	3.4
271.16919	33.0
289.17984	100.0
290.18393	6.0
290.21631	1.5
298.17722	1.6
307.18909	1.9
307.20602	2.0
308.18536	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	307.1907
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03961	3.7
55.01868	15.5
55.05512	55.3
57.03439	99.7
57.07072	6.7
59.04996	7.5
62.67201	4.1
67.05503	59.3
69.03429	11.9
69.07069	10.9
70.63124	5.1
71.04990	8.4
73.52489	3.5
78.04741	3.5
79.05490	60.1
81.03433	4.9
81.07062	45.8
83.04996	9.9
83.08628	24.0
85.02885	4.0
85.06555	10.4
88.07642	16.2
91.05481	78.9
93.07040	32.8
95.04969	34.2
95.08606	25.6
97.06544	15.1
97.10169	32.0
98.97578	4.1
98.98509	7.9
99.08096	5.4
104.69123	3.9
105.07032	31.9
107.04964	41.8
107.08607	31.5
109.06525	48.9
109.10159	31.8
111.08096	8.5
115.05450	4.4
117.07029	23.0
119.08585	65.3
121.06505	69.7
121.10130	9.5
123.04416	4.4
123.08109	11.8
125.05972	4.7
125.09646	29.4
125.59155	4.2
129.07025	12.7
131.08571	19.6
133.06471	6.7
133.10139	10.6
135.08078	31.5
135.11653	7.7
137.06018	6.7
137.09613	16.0
139.07477	3.9
143.08542	6.3
145.06499	10.0
145.10161	11.2
147.08064	13.3
147.11662	5.2
149.06038	5.2
149.09641	6.6
151.07562	6.4
153.09117	32.5
155.01060	7.6
155.08575	6.0
157.10165	6.2
159.08057	39.6
159.11713	6.9
161.09644	12.7
161.13228	4.6
163.07564	16.5
163.11331	4.3
164.92078	4.4
165.09090	10.1
169.10172	7.9
171.11754	7.5
173.09613	9.4
175.07539	4.6
175.11134	4.6
176.49414	3.6
177.09081	7.7
181.10135	3.7
187.14885	3.9
189.11223	16.6
189.12799	6.9
193.12227	8.0
215.14281	5.9
215.21922	9.6
217.12372	5.5
218.21347	3.7
219.02151	5.6
219.13745	8.7
231.13704	4.8
233.15424	16.0
243.01993	4.5
253.15918	14.4
259.24594	9.8
261.02979	23.8
261.18530	11.1
261.21048	3.7
265.18002	7.5
271.16898	29.9
289.18002	100.0
290.18176	4.3
307.19107	47.7
307.26724	74.9
308.18759	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01876	10.3
55.05257	3.8
55.05514	50.2
57.03439	30.5
65.03938	3.9
65.78673	2.9
67.05507	42.0
68.10775	2.7
69.03414	7.2
69.07076	18.4
71.04996	14.8
79.05495	45.3
81.03423	30.9
81.07056	44.6
83.04968	13.5
83.08638	22.0
85.06534	7.8
87.04464	3.7
91.05482	41.8
93.07038	39.3
95.04967	42.7
95.08629	23.6
97.06528	11.9
97.10173	30.3
98.23512	7.8
98.98432	4.7
99.04470	3.4
99.67374	3.5
105.07047	40.4
107.04956	69.6
107.08597	30.0
109.06506	28.0
109.10133	18.0
111.08096	8.4
112.44627	3.3
113.06026	7.8
115.05447	3.6
117.07028	15.8
118.97369	3.1
119.08587	32.1
121.02876	21.0
121.06506	54.5
121.10144	11.0
123.04453	3.6
123.08064	18.0
123.11726	3.8
125.09636	21.7
129.07014	8.5
130.44788	3.4
131.08562	22.7
133.06487	8.0
133.10153	21.8
135.08057	31.0
135.11699	4.0
137.09645	15.4
139.11201	3.5
141.06992	3.2
143.08586	7.5
145.06474	4.0
145.10143	14.1
147.08049	11.6
147.11673	13.5
149.05934	3.8
149.09615	6.4
150.79079	3.3
151.07518	9.4
151.11160	5.7
153.09132	5.3
155.01083	5.5
155.08643	3.8
157.10114	4.5
159.08069	58.1
159.11665	8.4
160.08447	3.5
161.09634	8.6
161.13235	4.1
163.07550	31.6
163.11163	7.8
165.09125	19.1
165.12749	8.0
168.78935	3.8
169.10172	5.3
171.11745	8.5
173.09610	4.7
173.13269	5.4
175.11186	8.9
177.12712	4.8
183.11635	5.8
185.09601	4.3
187.11137	4.0
187.14833	7.3
189.11223	13.3
189.12793	9.4
191.10799	4.8
191.14360	4.0
197.13179	5.2
199.11246	4.4
215.14204	5.7
216.09779	3.0
217.12193	5.7
219.13867	7.1
225.16399	4.1
233.15381	26.9
235.13347	20.4
239.17978	3.5
243.17444	5.6
253.15900	11.0
257.19009	4.0
260.34302	3.3
261.03104	12.5
261.18503	6.4
271.16925	25.1
275.20078	26.3
289.17978	100.0
290.18402	6.3
307.15540	6.2
307.18973	66.0
307.22711	55.5
308.18707	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	307.2058
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
50.50372	3.9
55.01876	8.7
55.05511	15.3
57.03444	13.3
57.33304	4.4
57.71666	4.1
61.60635	4.1
65.03951	6.5
67.05509	29.4
69.03436	9.2
69.07063	18.7
69.39819	11.3
69.40508	4.8
71.05000	7.7
79.05495	34.7
81.03439	6.9
81.07060	44.5
83.04988	13.8
85.06528	6.0
91.05481	55.4
93.07052	43.0
95.04971	55.2
95.08609	22.4
97.06535	27.3
98.23571	5.7
98.98439	4.8
103.05457	5.3
105.07030	77.5
107.04943	6.9
107.08588	17.2
109.06534	11.7
109.10162	7.6
115.05469	8.8
117.07043	24.0
119.08595	65.8
121.06510	17.2
121.10136	16.7
123.08110	9.1
128.06232	21.2
129.06996	23.6
130.07814	10.8
131.08588	37.4
133.06541	5.1
133.10135	100.0
135.08150	6.2
135.11668	5.1
141.06989	24.2
142.07793	31.4
143.08569	65.8
144.09320	10.0
145.06485	6.4
145.10118	36.1
147.08041	17.6
147.11697	11.8
149.05957	10.1
149.09584	5.7
153.06938	7.2
154.07777	14.0
155.01033	9.0
155.08528	23.6
156.09363	28.5
157.10114	44.4
158.10898	19.2
159.08090	8.1
159.11694	43.0
161.09608	12.9
164.92114	5.6
165.07051	6.9
166.07805	6.4
167.08592	29.1
168.09296	7.4
169.10115	48.7
170.10892	8.8
171.11682	30.6
173.13266	23.0
179.08624	16.8
180.09357	7.6
181.10092	29.6
182.10861	26.0
183.11679	23.0
184.12457	11.5
185.09584	6.4
185.13272	7.1
187.11182	6.0
187.14891	4.9
192.09338	6.5
193.10158	21.1
194.10905	15.2
195.11652	23.1
196.12486	9.7
197.13272	47.8
199.14752	12.2
203.08536	9.4
205.10182	4.9
206.10951	21.7
207.11775	34.4
208.12404	11.0
209.13219	27.4
211.14825	17.1
217.10042	7.2
218.10953	9.0
219.11746	11.5
220.12428	12.7
221.13261	38.1
222.14058	9.5
223.14795	21.2
229.10204	6.3
230.10963	8.5
231.11812	8.0
232.12552	10.6
233.13231	21.1
234.14134	9.0
235.15013	8.9
237.12706	6.2
237.16391	11.0
244.12450	6.3
245.13333	10.1
246.14034	8.8
247.14777	12.3
248.15685	13.4
249.16246	12.7
251.14343	10.9
251.17909	6.1
259.14850	20.2
260.15787	5.5
261.03067	25.2
263.17966	27.3
265.15762	8.1
271.16974	8.7
274.17230	10.1
276.43768	5.3
279.21039	7.1
289.17490	24.0
307.20764	97.3
308.18188	10.6
308.21246	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	307.2268
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
53.65063	4.0
55.01863	6.5
55.05513	32.4
57.03443	21.1
57.07082	22.2
67.05505	66.7
69.03426	5.9
69.07063	38.8
70.00735	10.8
71.05009	9.3
73.06541	5.6
78.68328	4.7
79.05495	78.8
81.07060	75.9
83.04982	9.7
83.08620	20.1
85.06557	10.0
87.08108	5.1
91.05482	61.4
91.52905	3.5
93.07047	76.4
95.04974	15.1
95.08611	49.6
96.46062	4.3
97.06545	11.5
97.10171	16.6
98.06071	3.9
98.98495	5.3
105.07030	69.2
107.04985	11.2
107.08595	100.0
108.08978	4.3
109.06499	18.9
109.10181	16.0
111.08101	8.1
117.07019	13.9
119.08582	61.6
121.10143	26.3
123.08060	11.7
123.11755	4.8
125.09615	12.6
129.06996	9.5
130.99553	4.1
131.08578	25.8
133.10123	34.5
135.08058	10.6
135.11731	15.4
137.05992	9.7
137.09615	7.4
138.06369	6.0
141.06995	3.9
143.08556	8.3
145.10117	30.8
147.11673	26.1
149.09618	16.3
149.13277	4.4
151.11176	5.0
155.01091	7.0
157.10150	8.2
159.11710	36.1
161.09663	4.8
161.13312	18.9
163.11189	7.1
169.10150	7.9
171.11685	5.3
173.13303	16.4
175.14806	7.3
176.14383	7.8
185.13245	25.8
201.16452	7.6
203.12735	13.5
203.14371	9.5
205.15846	6.8
219.17406	22.4
222.14926	8.4
224.14023	5.1
235.16982	16.6
239.17966	13.2
257.19009	22.6
261.03159	12.7
275.20062	79.7
289.18188	7.7
289.21637	32.0
290.21094	22.5
290.28455	9.0
307.18808	22.9
307.22641	24.6
308.19479	18.7
308.29343	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	307.2269
Annotation	Glanvillic acid A
Peak:m/z	Relative Intensity
53.03940	0.9
53.19511	0.4
55.01874	3.4
55.05512	11.0
57.03416	1.8
57.07078	7.2
59.04987	0.7
65.03937	0.5
67.05507	11.3
68.05828	0.5
69.03439	2.3
69.07069	9.4
69.31461	2.5
71.04975	2.5
71.08262	0.8
71.08631	9.5
73.06551	0.6
79.05497	11.0
81.03408	1.1
81.07057	19.3
83.04971	2.1
83.08615	4.5
85.06551	5.1
91.05481	8.4
93.07047	14.8
93.07574	0.3
94.07356	0.7
95.04971	20.9
95.08614	13.9
97.02934	0.5
97.06536	5.1
97.10178	3.3
98.22746	0.7
98.98495	0.7
99.08092	5.8
105.07032	11.3
107.04968	1.5
107.08600	11.3
108.05744	0.9
109.06521	44.7
109.10165	4.3
110.06851	0.9
111.08079	1.9
117.06975	2.8
119.08577	9.2
121.06503	9.9
121.10149	5.1
123.08066	4.0
123.11687	1.3
125.05981	0.8
125.09656	1.4
129.06990	1.1
131.08566	5.0
133.06483	0.5
133.10135	4.7
135.08043	5.1
135.11682	2.1
137.06024	1.0
137.09625	2.1
138.06316	0.5
139.11169	2.1
141.09062	0.7
143.08574	1.3
145.10118	5.4
147.08014	1.2
147.11668	3.5
149.09605	3.6
149.13269	1.6
151.11163	1.5
153.12738	0.6
155.08553	0.9
157.10162	0.8
159.08133	0.6
159.11687	3.2
161.09656	1.3
161.13307	2.5
163.11174	5.6
163.14856	1.2
164.92096	0.7
165.12756	100.0
166.13106	3.2
171.11639	0.8
173.13281	4.1
175.11163	1.0
175.14864	1.5
177.12766	4.2
179.14355	2.1
181.15877	0.8
183.11696	1.3
185.13281	1.2
187.14862	1.3
189.12769	0.6
189.16278	0.9
191.14313	4.2
197.13405	1.3
201.12714	1.4
203.14359	1.7
205.15894	0.7
213.12613	0.5
215.14357	0.5
219.17464	1.8
223.16792	0.5
229.19458	0.6
233.15396	0.8
237.14948	0.8
243.21054	0.8
247.20616	0.9
251.16425	7.2
251.18803	0.7
253.19498	0.8
257.19098	1.1
261.03125	2.1
261.22125	9.1
271.16815	0.5
271.20609	2.4
275.20123	5.2
287.29416	0.5
289.21619	33.6
290.21765	2.4
307.22681	99.6
308.18695	1.7
308.23013	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01865	6.4
55.05510	20.0
57.03439	25.4
59.05011	2.6
65.34558	1.7
67.05502	25.4
69.03454	2.5
69.07066	10.9
69.72979	5.6
73.51953	1.4
76.60760	1.6
79.05495	40.3
81.03415	4.6
81.07061	43.0
83.04967	6.2
83.08616	9.8
85.06538	6.6
91.05481	33.8
93.06520	3.1
93.07045	34.1
95.04958	5.9
95.08607	24.8
97.06512	4.0
97.10174	11.5
99.04457	5.7
105.07033	24.1
107.04945	9.6
107.08595	27.4
109.06516	19.5
109.10137	12.0
111.08076	3.7
117.07008	15.1
119.08571	25.4
121.06501	4.5
121.10126	13.4
123.08054	5.6
123.11720	2.8
125.09634	17.7
129.07005	5.0
131.08568	16.3
133.10115	16.3
135.08029	5.5
135.11687	6.8
137.09581	5.1
140.41895	1.7
143.08600	2.8
145.10100	12.8
147.11691	6.3
149.09598	17.7
149.13211	2.6
151.11159	2.1
153.09093	3.4
157.10040	2.6
159.11697	6.8
161.13332	4.6
163.11145	2.9
163.14873	1.7
173.13239	5.0
175.14807	3.8
177.12784	3.0
177.57137	1.7
181.55083	1.6
185.13255	7.8
191.14320	2.2
201.16412	5.0
203.12779	7.8
203.14372	6.6
209.15479	2.4
219.17444	100.0
220.17778	4.9
229.19530	2.0
235.16884	6.0
239.17972	4.5
247.20474	2.3
257.19000	8.5
275.20053	43.6
276.20331	2.7
289.21582	3.1
307.22766	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	307.227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84992	0.8
53.03940	4.4
55.01865	4.3
55.05514	10.8
57.03430	1.4
57.07078	1.3
59.05014	1.4
65.03938	1.8
67.05514	22.0
69.03441	1.4
69.07074	11.7
70.60990	2.0
71.04990	2.7
76.44278	0.8
79.05499	30.1
79.68855	0.9
80.94874	1.1
81.03417	3.5
81.07060	100.0
82.07382	1.4
82.16399	0.9
83.04986	3.1
83.08648	8.5
85.06542	2.1
89.06012	0.9
91.05479	17.5
93.07048	18.2
95.04971	12.3
95.08605	13.6
97.06525	6.5
97.10208	1.0
99.08097	2.0
101.68305	1.0
105.07046	15.8
107.04969	3.6
107.08596	10.6
109.06526	47.8
109.10156	5.6
111.08067	2.7
113.87080	0.9
117.07025	3.7
119.08585	14.4
121.06501	3.8
121.10166	8.0
123.08055	5.6
123.11704	3.5
129.07043	1.5
131.08585	8.8
133.10146	12.2
135.08041	2.0
135.11671	5.4
137.05949	1.5
137.09622	4.5
142.32909	1.0
143.08589	1.1
145.06482	1.2
145.10138	6.5
147.11693	11.5
148.12009	1.3
149.09644	3.6
149.13281	6.8
151.11189	3.2
157.10147	2.2
159.11700	4.3
161.09592	1.4
161.13231	3.1
163.11209	5.8
163.14822	2.0
164.92090	1.3
165.12762	4.2
169.10226	1.1
169.37015	1.0
173.13274	4.1
175.11217	2.8
177.12724	2.9
179.14354	0.9
179.65601	1.1
183.11618	1.3
187.14804	1.5
193.12296	3.5
194.36925	0.9
201.12854	1.1
219.28551	1.1
229.19495	3.1
239.18045	1.7
247.20638	5.4
257.19000	4.1
261.03070	5.1
265.27280	1.0
275.20065	45.5
276.20462	1.4
289.21738	1.4
307.17365	2.0
307.22729	18.1
308.18634	2.6
308.23151	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.50006	0.6
53.03940	1.4
55.01875	5.4
55.05513	17.6
56.05841	0.7
57.03430	3.8
57.07071	1.5
59.05013	1.0
65.03928	0.6
67.05506	21.9
68.05833	1.9
69.03415	2.0
69.07071	15.5
70.07396	1.7
71.04981	3.1
71.08633	1.1
79.05497	19.4
80.05837	0.9
80.24277	0.7
81.03418	1.5
81.07056	24.1
82.07375	2.5
83.04976	3.0
83.08638	6.0
85.05299	1.5
85.06543	2.7
86.06067	0.9
91.05477	13.8
93.07047	18.6
95.04974	7.1
95.08016	1.2
95.08605	16.0
96.08944	1.9
97.06540	4.7
97.10170	4.4
98.06055	12.4
98.98502	0.9
99.06380	3.4
99.08083	1.7
105.07031	15.3
107.04979	1.9
107.08595	18.1
109.06525	26.0
109.10164	7.1
110.10487	0.7
111.04446	1.8
111.08073	4.8
111.43010	0.8
112.07625	1.3
117.07024	4.3
119.08593	13.2
120.08943	0.8
121.06503	2.1
121.10159	7.9
123.08052	3.2
123.11719	1.5
125.09653	4.1
129.07010	1.7
131.08560	6.8
133.10138	8.7
134.10431	0.8
135.08072	2.6
135.11703	3.1
137.05934	0.8
137.09616	5.3
139.11140	1.7
143.08559	1.4
145.10104	6.2
147.11690	6.0
149.09607	5.7
149.13298	0.9
151.11185	2.1
153.09055	0.8
155.01082	0.9
155.08531	0.7
157.10139	2.1
159.11711	4.0
161.13223	2.3
163.11165	2.9
165.12740	4.8
169.10081	1.1
171.11736	2.3
173.13220	3.4
175.11250	0.8
175.14790	1.2
177.12733	1.5
183.11655	0.9
185.13264	1.5
189.12808	0.8
191.14226	1.3
197.13228	1.2
203.12785	2.3
203.14380	0.9
205.15898	0.9
206.86243	0.7
207.35117	0.7
209.17256	0.8
215.14468	1.1
219.13974	0.8
219.17436	3.0
229.19568	1.1
233.15395	2.0
233.54086	0.8
235.16920	1.2
239.17967	1.5
247.20657	1.2
251.16400	5.5
257.19058	3.8
261.03134	1.6
275.20047	22.0
275.22903	1.4
276.20355	1.3
289.21536	6.2
306.27924	1.6
307.22830	37.0
307.28238	100.0
308.18616	1.0
308.23221	1.3
308.28598	2.5
325.63818	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2269
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
52.05460	0.7
53.03939	2.9
55.01873	5.0
55.05511	17.9
57.03431	2.5
57.07081	1.8
59.05003	1.0
61.44802	0.7
65.03933	1.6
67.05503	30.5
67.05867	1.5
69.03438	1.6
69.06709	1.1
69.07066	18.0
70.64410	1.1
71.04980	7.2
71.08625	1.7
72.04510	4.5
73.06528	1.1
79.05491	35.0
81.03419	6.5
81.07053	100.0
82.07388	1.9
83.04977	4.3
83.08620	11.8
85.06549	2.6
91.05476	18.0
93.06444	1.3
93.07043	24.6
95.04966	12.6
95.08602	20.6
96.08935	0.7
97.06512	7.8
97.10154	4.1
99.08073	4.5
101.06068	0.9
105.07028	21.1
105.77663	0.7
107.04966	7.9
107.08592	15.2
109.06514	86.9
109.10148	10.2
110.06835	1.6
111.04436	5.2
111.08077	4.7
114.09180	1.1
115.05451	0.7
117.07023	4.9
119.08576	17.3
121.06489	5.3
121.10142	13.7
123.04423	0.9
123.08068	10.9
123.11708	3.6
125.09641	2.3
128.10785	0.8
129.06987	2.1
130.07774	0.8
131.08557	7.5
133.06464	1.4
133.10120	13.5
133.11031	1.3
135.08047	4.0
135.11690	6.6
137.09628	5.9
139.11150	1.8
143.08562	1.8
145.06468	1.3
145.10123	9.5
147.08026	1.9
147.11690	12.6
149.09587	8.4
149.13254	5.6
151.11218	3.8
155.07249	0.7
155.08571	2.3
157.10098	4.2
159.08067	0.9
159.11682	6.7
161.09615	1.7
161.13281	2.3
163.11159	8.3
163.14857	2.5
165.12753	8.1
171.11696	1.7
173.09641	2.1
173.13275	4.9
173.18605	0.8
175.11203	3.4
175.14835	1.5
177.12802	2.2
179.14268	1.0
183.11714	1.1
185.13301	1.3
187.11159	1.0
187.14850	1.3
189.12729	1.0
191.10735	0.9
191.14320	2.5
193.12265	3.9
197.13184	1.6
201.12776	0.8
205.15938	1.3
207.13773	0.9
215.14305	1.0
215.18053	0.8
219.13802	2.0
219.17453	2.0
229.19502	2.6
238.21632	2.9
239.17953	1.9
247.20583	5.2
251.16385	9.5
257.19025	5.6
261.03137	0.8
261.22269	1.1
263.20154	1.5
265.17981	0.9
275.20047	49.0
276.20422	1.8
289.21588	7.9
291.23224	7.6
307.22647	84.4
308.22861	2.9
308.25848	13.8
308.29437	1.6
328.63409	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03931	1.3
55.01885	3.1
55.05510	16.7
57.03425	2.0
57.07087	3.0
59.04995	1.3
63.55958	0.6
65.03925	0.9
67.05500	19.1
68.05845	0.8
69.03429	1.1
69.07068	10.7
71.04993	3.6
71.08625	1.9
73.06535	1.0
79.05042	1.0
79.05494	20.6
81.03406	1.8
81.07056	19.9
81.07772	0.6
83.04982	2.4
83.08627	4.5
85.06566	2.7
87.04444	0.6
91.05478	15.9
93.07043	18.1
95.04971	8.7
95.08606	18.1
96.08938	0.7
97.06523	4.9
97.10147	3.3
98.06067	0.9
98.98457	0.8
99.08087	1.3
105.04528	1.1
105.07027	14.9
106.07363	0.8
107.04969	4.8
107.07920	0.9
107.08589	11.7
108.05743	0.9
109.06513	10.1
109.10160	5.2
110.07289	0.6
111.04426	1.6
111.08105	3.1
113.06005	2.5
117.07012	6.0
119.08582	11.6
121.06508	7.0
121.10133	5.5
123.08060	9.2
123.11704	1.6
125.05994	3.9
125.09651	0.9
126.06712	0.7
129.06993	1.4
131.08568	8.4
133.06482	0.6
133.10115	8.4
135.08051	8.1
135.11714	4.5
136.08836	0.9
137.06029	0.9
137.09602	4.1
137.13293	0.6
139.07549	1.5
139.11249	0.6
141.06984	0.8
143.08551	1.4
143.97391	0.5
145.06549	0.7
145.10117	6.0
147.08136	1.2
147.11664	5.3
148.30136	0.7
148.99329	0.6
149.09608	6.0
149.13251	2.1
151.11205	1.9
155.08524	0.7
157.10069	1.1
159.08069	1.0
159.11694	4.5
161.09596	1.0
161.13254	2.3
163.11189	2.8
163.14835	0.8
165.12766	2.7
169.10101	1.1
171.11740	0.7
173.13298	2.8
175.11319	1.3
175.14827	1.6
177.12749	4.6
179.14284	4.7
181.12230	1.3
183.11708	0.8
183.13785	1.1
185.13281	1.5
187.11165	1.0
187.14828	0.6
191.14325	4.0
193.12204	0.8
193.15869	1.1
195.13872	1.8
201.12856	0.9
203.14360	1.1
203.18074	0.6
205.15891	1.3
205.19467	0.7
207.17451	5.4
209.15376	1.4
219.13837	0.8
219.17465	2.3
229.19524	2.3
233.15349	0.6
237.14838	1.4
239.17990	0.9
247.20517	4.6
251.16472	1.9
257.18945	3.4
261.03061	3.5
261.22171	5.8
271.20566	0.6
275.20062	15.1
276.20358	0.8
279.23154	3.3
289.21570	4.4
307.22672	100.0
307.27786	7.5
308.18546	1.6
308.23001	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	307.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.7
55.01864	8.8
55.05512	26.2
57.03435	3.5
59.04990	3.7
59.83454	3.2
67.05207	3.6
67.05510	40.8
69.03435	100.0
69.07069	17.1
71.05000	4.3
79.05504	41.6
81.03405	4.8
81.06630	5.0
81.07062	57.0
83.04971	5.8
83.08624	12.1
85.06535	4.8
90.46204	3.5
91.05468	31.7
93.07054	36.2
95.04975	46.0
95.08609	40.0
96.75183	3.5
97.06528	14.0
97.10195	15.1
98.22596	6.5
105.07020	33.6
107.04983	7.7
107.08596	31.7
109.06506	14.2
109.10165	16.7
111.08102	3.7
117.07027	10.2
119.08599	23.3
121.06499	7.8
121.10156	16.9
123.08047	6.0
123.11700	3.6
125.09653	17.2
126.68058	3.0
131.08563	18.3
133.10156	18.1
133.18314	3.0
135.08038	9.1
135.11671	9.1
137.09618	4.6
143.08617	4.5
145.10130	23.2
147.07962	4.8
147.11711	16.7
149.09592	21.5
151.11075	2.9
157.10172	5.4
159.11679	14.8
161.13213	8.0
163.11183	15.6
163.14891	3.6
165.12778	9.6
170.90216	3.4
171.11716	4.3
173.13251	25.9
177.12799	3.8
191.14244	9.4
203.12813	9.9
229.19516	4.0
237.14876	9.7
239.17995	6.0
247.20508	4.7
257.18982	9.8
261.03183	3.9
275.20114	55.1
307.22867	27.5
308.23013	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	307.2633
Annotation	13-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
55.05510	12.9
57.07076	11.6
59.04995	8.1
60.48281	2.6
67.05499	23.8
69.07066	22.3
69.61845	6.4
71.04985	9.0
73.06533	3.2
79.05504	12.4
81.07065	34.8
83.08612	10.3
85.06530	3.1
86.82579	2.3
91.05489	11.9
93.07043	41.2
95.04990	3.6
95.08598	53.8
97.06532	8.6
97.10181	4.9
98.98476	2.8
105.07047	18.2
107.08607	37.6
108.08965	2.4
109.06516	2.8
109.10148	41.8
111.08067	3.2
115.07539	2.7
117.06973	2.9
119.08607	16.6
121.10140	19.5
121.23265	2.6
122.03629	6.2
123.03909	3.6
123.11696	17.4
125.09637	6.4
127.11193	10.9
131.08566	4.1
132.52579	2.4
132.78358	2.6
133.10136	16.4
135.11694	18.5
137.05977	100.0
137.13261	7.4
138.06300	70.6
143.10664	4.3
145.10126	6.7
147.11682	14.4
148.99271	2.5
149.10738	4.0
149.13237	27.7
151.07547	3.6
151.11108	3.1
151.14824	11.8
153.12733	3.2
159.11760	4.1
161.13222	6.3
163.14778	5.1
164.92065	5.3
165.12738	3.3
173.13327	4.2
175.14879	5.1
177.16440	3.5
187.14801	5.8
189.89935	2.9
191.18030	4.1
201.16379	3.6
203.17928	22.9
205.19502	8.8
231.21143	2.7
249.22098	2.8
261.03146	14.5
269.43005	2.5
271.24133	12.5
275.20090	4.1
289.25244	12.5
307.18735	7.9
307.22653	3.6
307.26190	12.2
308.18570	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	308.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88544	0.1
62.62887	0.2
91.05470	0.5
104.06236	0.1
105.07031	2.4
108.83580	0.1
111.88681	0.1
117.66679	0.1
132.08096	0.3
133.07869	0.3
133.08873	6.8
146.09669	0.3
147.10361	0.2
148.11206	100.0
149.11552	3.0
166.92351	0.2
183.39944	0.1
201.25726	0.1
262.19907	0.2
291.13327	0.3
308.16010	8.5
309.16382	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1858
Annotation	CHEMBL482708
Peak:m/z	Relative Intensity
55.01886	0.8
55.05506	2.1
67.05502	1.2
69.03405	0.5
69.07070	2.2
69.10139	0.9
69.10549	2.6
71.04993	0.5
71.82307	0.3
72.08173	1.0
79.05477	0.9
81.07053	1.0
83.04989	0.5
83.08618	1.0
85.02887	0.5
91.05477	2.5
93.07046	1.5
95.08626	2.5
97.10159	0.7
98.23460	0.7
98.98450	0.5
103.05463	6.8
105.07019	0.8
107.08610	0.6
109.10175	0.5
111.08067	1.9
115.05441	1.0
117.07025	4.6
119.04930	1.0
119.08581	0.7
121.06512	1.6
123.04433	5.4
129.06998	0.9
131.04926	19.0
131.08551	1.0
133.06528	0.4
137.05980	7.6
141.06953	0.4
143.05005	0.6
144.11296	0.5
145.06483	11.2
147.04410	7.3
148.05208	0.9
148.11197	0.8
149.05978	56.7
150.06355	1.5
151.07578	0.8
154.08612	0.5
157.06493	2.3
159.08089	2.2
161.05995	4.5
162.05487	1.8
162.06787	1.9
162.11290	0.6
163.03867	1.4
163.07550	15.6
164.07095	1.8
165.05484	4.1
166.08672	0.9
171.08049	0.7
173.05943	2.9
174.36153	0.4
175.03917	0.8
175.07555	6.0
176.07111	1.5
177.07845	50.2
178.06297	1.3
178.08310	1.8
187.07545	1.3
189.09100	1.8
190.06198	3.2
191.03363	0.5
191.10780	0.6
193.08643	2.7
199.07599	1.4
206.05745	1.1
209.13339	0.5
213.09035	0.5
221.08109	15.5
234.14856	1.2
237.12865	0.9
245.15390	0.6
246.14894	21.9
247.15224	1.1
255.13812	2.3
262.03317	0.6
273.14795	6.1
290.14175	0.9
290.17490	10.2
291.15811	5.9
292.15436	0.7
308.18542	100.0
309.12613	0.5
309.18744	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	308.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05515	44.8
56.05862	0.8
59.05024	0.5
67.05492	1.8
68.99960	0.5
69.07063	0.9
71.05029	0.5
71.33195	0.5
71.46404	0.5
75.00436	0.4
79.05493	1.0
81.07064	1.5
83.04984	100.0
84.05315	2.0
91.05455	0.8
93.07056	1.9
94.07364	0.7
95.04979	0.8
95.08608	1.6
96.08958	0.6
97.06534	0.8
103.58886	0.5
105.07059	0.9
107.08584	0.9
108.08955	0.5
109.10144	0.9
110.06798	0.5
111.08075	0.6
115.23982	0.5
119.08559	1.0
121.06493	3.5
121.10098	0.7
131.08524	0.6
133.10121	0.6
137.29454	0.4
149.09613	5.3
161.06013	0.5
189.09137	0.7
203.14360	0.6
231.11504	1.1
231.13812	23.2
232.14201	1.1
276.20474	1.8
279.95392	0.6
280.94781	0.6
308.18646	2.3
308.22678	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2222
Annotation	2-(4-Hydroxyphenyl)-1-nitroethane
Peak:m/z	Relative Intensity
51.02374	1.6
51.15742	1.2
53.03957	8.2
53.72845	1.4
55.01881	8.9
55.05513	82.1
56.05025	2.3
57.03444	2.7
57.07079	3.5
59.04995	4.0
62.18724	1.6
65.03943	5.7
67.05501	30.1
68.05007	1.6
68.05853	1.6
69.03423	5.2
69.07068	30.2
69.60898	2.9
69.61288	3.3
70.06584	2.5
71.04998	2.0
71.08617	2.1
77.03934	2.7
79.05495	100.0
80.05012	5.6
80.05826	3.3
81.03407	1.5
81.07059	30.7
81.07505	2.4
82.06592	14.5
82.07368	2.9
83.04999	6.3
83.07320	1.4
83.08623	25.4
85.06573	1.8
91.05479	38.7
92.05011	10.8
92.05812	2.7
93.05784	3.1
93.07047	69.6
94.06562	5.2
94.07381	4.1
95.04969	15.6
95.08601	9.7
96.09007	2.1
97.06537	3.7
97.10170	46.4
98.06063	1.7
98.10456	1.9
99.08096	3.5
101.06029	2.4
102.37022	1.4
103.05500	1.7
105.04520	6.4
105.07050	15.5
106.06567	18.3
106.07324	2.3
107.07407	2.0
107.08604	24.4
108.08190	1.4
108.08940	4.6
108.27119	1.6
109.06538	4.5
109.10178	4.7
110.06004	1.6
110.06823	1.5
111.08078	5.1
112.46629	1.4
116.06264	2.2
117.07033	5.2
118.06557	5.5
118.07322	1.3
119.07334	3.2
119.08609	6.4
120.08131	8.0
121.06436	2.1
121.10152	18.5
123.08064	2.0
125.09636	44.0
129.07085	2.3
131.08551	15.6
132.08099	5.0
132.08989	2.0
133.08885	4.5
133.10124	3.7
134.09647	3.5
135.08162	1.8
135.11722	1.9
137.05980	5.2
138.12848	1.7
143.10674	6.3
145.10117	3.7
146.09668	5.0
147.11641	2.6
148.11197	38.9
159.11703	2.4
160.11171	1.7
162.12756	2.8
163.11220	1.6
164.11534	1.3
165.09140	6.6
171.10213	2.4
176.14391	5.5
186.12682	2.5
191.10667	1.5
204.13786	6.8
222.14935	9.7
234.14896	2.8
248.20958	1.3
258.19464	1.7
262.03305	1.9
262.18130	2.0
275.20148	2.5
276.20456	12.6
277.18051	5.3
277.21182	1.6
290.18216	2.1
290.21112	33.5
291.19342	3.0
308.18576	15.6
308.22433	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.7
54.11337	1.6
55.01858	6.2
55.05256	3.1
55.05511	55.0
56.05017	4.0
57.07064	2.3
59.05010	2.0
65.03925	6.9
67.05503	42.6
68.05042	2.9
69.07066	95.0
69.23931	4.7
69.24316	5.3
70.06583	3.6
71.04977	2.7
72.47973	1.8
77.03933	3.7
79.05492	77.4
80.00462	1.9
80.05028	16.4
81.07056	35.3
82.06562	8.7
83.04971	4.0
83.08622	23.5
85.06555	2.9
91.05478	41.8
92.05001	19.7
93.05798	17.1
93.07039	49.7
94.06561	11.6
95.04939	13.7
95.08598	11.0
96.04467	4.1
96.08135	2.8
97.01139	1.9
97.10169	25.0
98.06049	4.9
103.05479	2.7
105.04522	5.8
105.07042	14.7
106.06554	31.1
107.07327	5.5
107.08593	16.2
108.08120	12.6
109.10134	5.3
110.06087	2.9
110.09685	2.6
111.08044	2.8
117.07025	13.8
118.06551	8.9
119.07366	3.4
119.08582	5.4
120.08084	15.7
121.10127	11.5
122.09647	2.9
125.09633	26.8
129.06984	2.4
131.08563	19.7
132.08034	9.6
133.08865	4.7
133.10179	4.1
134.09654	8.4
135.11656	3.0
138.12756	6.6
141.07027	2.6
143.10658	2.9
145.10069	2.3
146.09625	5.6
148.11203	84.3
149.11496	2.7
150.12721	1.9
158.07683	2.2
159.11719	10.8
162.12766	4.9
165.12775	3.3
166.13092	4.4
176.14357	34.9
186.12796	9.8
204.13841	39.4
216.17639	2.1
222.14883	49.7
272.20099	3.9
290.21136	100.0
291.21524	3.2
308.18750	3.1
308.22162	32.5
309.22470	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	308.2222
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.02370	0.3
52.66973	0.2
54.94004	0.2
55.01864	0.2
55.05508	0.7
57.03437	0.2
57.07064	0.6
58.02958	0.4
59.04990	0.2
61.78599	0.2
64.74377	0.2
65.03939	0.2
66.04720	0.2
67.05499	1.3
68.19781	0.2
69.03439	0.2
69.07070	1.2
69.74686	0.4
71.08630	0.8
74.86353	0.2
79.05506	1.7
80.94858	0.2
81.07052	2.1
83.04983	0.2
83.08607	0.4
88.07593	0.2
91.05484	1.3
93.07040	0.8
94.04183	2.0
95.04964	0.7
95.08616	1.2
97.06576	0.2
97.10168	0.2
98.22665	0.3
99.08072	0.2
105.06997	0.2
107.04951	2.0
107.08579	0.7
109.06518	0.6
109.10155	0.6
111.08111	0.5
119.08593	0.6
121.06519	0.3
121.10130	0.4
122.03651	7.1
128.10713	0.4
135.08069	0.7
137.05978	100.0
137.13220	0.5
138.06302	2.1
140.20479	0.2
143.08586	0.3
147.08011	0.3
154.99228	0.2
165.09102	0.5
165.12744	0.4
172.16946	1.3
173.11743	0.2
180.10208	0.2
184.16969	2.5
210.18671	0.2
263.02615	0.2
273.18631	0.4
276.48505	0.2
290.21246	0.4
291.19559	0.6
291.23172	1.6
308.18719	1.3
308.22385	0.6
308.25940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65073	0.7
53.03964	1.3
55.05515	11.1
57.03437	1.6
57.05793	1.0
58.06592	3.5
64.48637	0.8
65.03934	0.8
65.82098	0.8
67.05507	40.7
69.03393	0.8
69.07068	8.7
69.21049	0.7
70.06245	0.9
70.06596	17.1
71.05033	0.8
71.22290	1.0
71.36520	0.8
79.05495	12.7
81.07059	30.3
83.08618	2.9
84.08141	2.2
87.61685	0.7
91.05473	6.6
91.81518	0.9
93.07051	11.0
95.04958	1.9
95.08607	25.8
96.08890	0.9
97.10156	1.4
105.07030	3.8
107.08592	7.5
109.10157	9.9
117.07041	1.0
119.08572	4.4
120.08937	0.9
121.10150	5.5
123.11723	2.8
124.11259	0.9
133.10118	3.1
135.11673	3.3
137.05978	10.8
147.11700	1.8
149.13264	2.2
149.22762	0.9
161.13245	1.1
162.50842	0.8
182.19191	1.0
192.11514	0.8
234.14809	0.8
290.28421	100.0
291.28888	4.7
293.70697	0.7
303.93143	0.9
308.18610	4.2
308.29459	57.6
309.24176	0.8
309.29874	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44269	0.5
53.03952	0.8
55.01880	0.7
55.05517	3.9
57.03436	11.5
59.04993	1.4
61.02924	2.0
61.71001	0.4
63.29648	0.4
66.41950	0.5
67.05501	0.7
69.03416	3.2
69.07059	0.6
69.17789	2.8
70.06585	0.9
71.01347	1.1
71.04991	29.2
71.68650	0.4
73.02910	4.9
75.04476	12.0
79.05474	0.6
79.52971	0.4
81.03431	1.3
83.04979	5.1
83.08624	1.9
84.08147	0.8
85.02901	100.0
86.03229	1.3
87.04456	2.3
91.05467	0.8
93.07056	0.5
95.08588	0.7
97.02892	4.6
97.06523	0.6
98.97594	0.5
98.98425	0.8
99.04469	1.9
101.06017	1.3
103.03944	1.4
107.08578	0.5
109.02889	1.3
111.04450	3.1
113.09656	5.7
113.93806	0.5
117.03338	0.6
119.04973	0.7
120.08090	1.1
123.04434	0.7
127.03924	3.3
129.05479	23.8
131.06862	0.6
131.10706	0.6
143.81174	0.4
145.02893	2.5
145.04950	1.7
147.04410	1.6
147.06516	12.0
149.05986	0.6
151.04019	0.5
151.22166	0.4
155.24678	0.5
159.64229	0.6
163.07562	0.7
165.07608	0.6
176.07077	0.5
177.05481	5.9
177.07251	1.0
191.07033	5.7
208.02904	1.0
247.65492	0.5
253.57988	0.4
255.08629	0.8
291.17001	1.2
292.08575	0.5
292.11893	0.6
309.09509	6.8
309.12851	0.9
309.18491	2.0
310.06903	3.6
310.16742	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26759	0.5
55.05515	0.5
56.41103	0.5
56.96558	0.5
70.06581	1.1
70.24827	0.5
70.75737	0.6
72.08155	0.7
73.72070	0.5
74.01043	0.5
82.06568	1.8
84.08123	2.3
86.09700	1.4
86.98772	0.5
89.03915	3.1
94.06563	0.5
96.08105	0.7
98.06039	1.0
98.97596	1.0
98.98456	1.0
117.03367	12.2
119.04939	1.9
125.05983	0.5
128.10684	0.6
134.03616	0.7
145.02837	43.3
145.13319	1.0
146.03149	1.2
147.04401	7.9
149.05977	4.6
155.01073	0.6
163.03914	1.1
166.08598	0.6
177.05461	100.0
178.05884	2.3
180.06520	0.5
194.08058	1.1
247.14395	2.0
263.02625	0.5
265.15195	2.0
276.05447	0.5
277.15491	0.7
280.11682	1.3
291.13354	1.4
291.16986	2.6
292.11765	10.8
309.09277	0.8
309.14215	1.5
309.18024	9.9
310.16248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
62.14130	2.3
69.03454	2.5
69.64467	5.0
69.64838	3.3
89.03954	3.2
98.97560	2.9
98.98499	5.1
109.92318	2.4
111.08043	3.5
117.03378	12.5
125.25932	2.1
138.11702	2.3
145.02858	40.9
147.04443	3.1
149.06001	2.8
170.06319	3.7
177.05472	100.0
177.06970	5.4
178.05847	3.3
188.07315	3.4
263.02856	2.6
292.11938	13.8
309.18930	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02366	0.3
70.86198	0.2
70.90835	0.4
84.08158	0.7
89.03912	2.9
89.04406	0.4
98.06071	0.3
98.97568	0.4
101.10744	0.3
106.04131	0.3
115.08678	0.4
116.07098	1.6
117.03385	13.7
118.03700	0.3
119.04929	0.4
126.10796	0.2
134.03653	0.6
135.04465	0.6
145.02850	45.6
146.03195	1.1
147.04364	1.5
149.04866	0.3
149.05989	5.4
149.11681	0.3
163.03879	0.3
177.05473	100.0
178.05826	3.0
186.05537	0.4
194.08163	0.9
247.14421	0.4
280.11697	1.9
291.13345	0.7
292.11786	9.8
293.12177	0.5
309.14487	3.6
318.73975	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39960	0.4
55.05508	0.5
56.20364	0.3
67.05503	0.4
70.04972	0.8
70.05300	0.4
71.51640	0.3
72.08164	0.8
84.08150	2.3
85.02905	0.8
86.09706	0.6
89.03899	4.0
91.05474	0.5
98.09691	2.2
99.81061	0.4
102.09169	2.8
115.12318	1.4
116.10728	4.5
117.03374	17.6
118.03718	0.6
119.04949	1.0
129.09088	0.7
133.13362	12.8
134.03625	1.0
134.13531	0.5
135.04416	1.0
136.99907	0.4
145.02841	64.7
146.03198	2.2
147.04405	4.9
149.05975	6.9
159.11310	1.0
162.03127	0.5
163.03874	1.2
177.05464	100.0
178.05804	3.8
186.05547	0.6
192.26239	0.3
208.02861	4.0
247.14375	0.6
248.12804	19.9
249.13145	0.8
262.14371	0.8
277.15564	0.6
291.17014	18.1
292.11935	0.7
292.17313	1.1
309.07761	2.2
309.18069	34.7
310.18454	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	309.181
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	0.8
70.78110	0.5
71.04961	0.4
72.08153	5.8
85.02894	1.1
88.87401	0.5
89.10804	2.9
91.05505	0.9
98.98451	0.8
102.04688	0.5
103.05450	0.7
105.03358	0.5
105.07011	1.3
115.08698	1.0
118.04148	0.6
118.08633	0.5
119.04943	2.7
124.11198	0.8
125.11543	0.6
130.04134	1.4
132.05693	1.3
133.02896	0.6
133.06471	0.9
135.04434	2.2
138.80342	0.5
145.02811	0.8
147.04391	5.4
148.05186	2.2
149.05966	0.9
150.06755	0.6
155.01009	0.7
160.05165	2.0
161.05949	1.7
162.06755	5.9
163.03914	5.3
163.07520	7.3
166.08873	0.6
174.03047	0.5
175.03909	6.6
176.04642	2.0
177.05444	2.9
178.06232	7.1
189.05455	1.1
190.06239	20.7
191.03441	5.9
191.07016	31.9
192.07367	1.1
193.08591	15.4
206.05728	8.5
207.06488	2.5
221.08069	100.0
222.08382	3.8
226.31532	0.5
262.14392	2.7
263.13757	1.8
278.58963	0.4
282.12912	0.6
291.05096	0.8
291.13626	0.8
291.16986	5.2
292.15231	3.0
309.14011	4.0
309.18057	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	309.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46729	1.0
53.17714	0.8
54.27370	0.8
54.90785	0.9
55.05506	1.2
56.96562	1.7
57.03437	1.4
61.71957	1.3
67.05505	14.8
67.14276	1.2
69.33740	4.8
72.08157	2.2
79.05493	1.0
81.07075	1.7
86.09708	1.0
87.90518	1.1
91.05511	1.2
95.08595	1.7
98.98462	8.0
109.10158	12.4
111.08074	1.6
119.08595	1.0
126.63728	0.9
133.06479	1.2
135.04344	1.4
135.08031	1.1
145.02858	1.5
147.04449	4.6
155.01025	13.2
155.10678	1.4
160.05179	1.7
162.06744	5.7
163.03908	3.7
173.11719	5.9
175.03960	3.2
176.04688	1.3
177.05522	4.2
178.06232	6.4
189.05531	2.0
190.06244	18.7
190.07855	1.3
191.03436	5.3
191.06976	2.6
193.08607	13.5
206.05713	5.8
211.13303	1.9
221.08083	100.0
222.08482	4.6
253.30482	1.1
292.15414	3.7
309.13211	2.6
309.18204	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.02382	1.3
53.03946	9.6
55.01874	12.3
55.05512	26.1
57.03433	3.3
57.07073	4.2
59.93352	1.4
64.83208	1.6
67.05505	64.1
69.03413	5.7
69.07068	22.5
69.77103	4.7
71.01339	1.7
71.04995	7.4
71.08657	1.4
79.05494	38.2
81.03419	25.3
81.07058	63.9
82.07391	2.1
83.04980	16.0
83.08611	9.7
85.02918	1.4
85.06543	6.3
91.05479	39.6
93.07047	43.4
94.07407	2.3
95.04964	17.2
95.08609	100.0
97.06530	6.1
97.10173	4.9
98.23418	1.9
99.04470	2.6
99.08102	2.9
105.04539	3.4
105.07027	38.7
107.04952	16.5
107.08593	32.2
109.06528	7.7
109.10158	35.4
109.14680	1.5
111.04446	4.7
111.08076	6.3
113.06040	1.6
117.06992	9.2
119.08575	22.8
121.06477	8.6
121.10153	12.2
123.04523	1.5
123.08065	32.1
123.11687	6.9
125.09628	5.9
127.07513	1.8
129.07011	6.0
131.08568	11.1
133.06487	7.0
133.10132	40.7
135.08058	12.6
135.11697	6.4
137.06027	2.0
137.09602	9.8
139.11205	3.4
141.07047	1.9
143.08580	7.2
145.06432	1.9
145.10106	10.1
147.08049	5.5
147.11681	5.8
149.09621	11.5
149.13245	2.1
151.07483	1.8
151.11191	25.6
153.09129	3.8
157.10147	3.7
159.08049	1.7
159.11713	3.6
161.09608	12.0
161.13316	1.9
163.11212	3.8
165.09119	6.3
167.10686	2.3
169.10063	2.0
169.12267	5.5
171.11708	5.4
175.11234	8.3
177.12659	1.6
179.10751	3.5
181.10086	2.9
185.09631	2.2
185.13326	2.3
189.12762	1.9
191.10667	1.7
193.12311	3.5
199.11179	1.8
222.38605	1.5
227.18005	2.9
245.19048	5.1
255.17458	4.5
263.20090	4.4
273.18481	21.5
274.19064	1.6
291.19528	30.3
309.20514	9.9
309.23880	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.13192	2.0
53.03939	4.9
53.99799	1.9
55.01868	23.6
55.05258	3.0
55.05513	34.3
57.03426	6.5
57.07072	4.8
57.25798	2.3
59.04999	4.6
65.03951	3.4
67.05508	88.8
69.03432	5.4
69.07069	32.4
69.56448	10.0
69.76003	2.5
70.07388	2.8
71.04988	12.6
73.53690	2.2
77.03898	2.3
79.05499	60.6
81.03444	2.6
81.07060	100.0
82.07383	3.7
83.01336	4.6
83.04978	13.9
83.08617	14.1
85.02903	3.1
85.06541	6.7
91.05481	57.4
93.07048	61.2
95.04968	15.6
95.08603	45.0
97.02850	2.5
97.06530	9.2
97.10156	5.1
98.23459	4.4
99.04474	3.1
105.04467	2.5
105.07036	60.0
107.04960	10.9
107.08600	54.1
109.06513	21.9
109.10164	75.9
110.10535	3.1
111.04443	8.1
111.08083	15.7
113.06055	2.3
117.07015	7.4
119.08570	23.9
121.06495	15.9
121.10165	16.2
123.04409	3.0
123.08075	6.4
123.11716	13.4
125.09675	4.2
126.04183	2.6
127.07531	4.7
128.06265	3.0
129.07057	4.2
131.08566	15.6
133.06483	7.9
133.10136	91.6
134.10529	2.8
135.08055	8.4
135.11688	12.3
137.00822	2.3
137.05968	8.1
137.09616	6.0
139.07562	5.8
143.08624	7.3
145.10162	14.2
147.08023	14.0
147.11696	10.2
149.09642	10.0
149.13316	5.6
151.11195	62.6
155.08580	2.5
157.10147	9.3
159.08015	3.9
159.11731	3.5
161.09630	15.1
161.13252	7.0
163.11234	3.9
165.09079	3.7
166.13177	2.9
167.10654	4.4
169.12201	15.6
171.11739	7.3
173.09662	2.7
175.11238	6.6
175.14780	2.9
177.09198	3.7
179.10693	4.3
181.08484	3.6
185.13258	3.3
189.12663	5.2
199.11224	3.6
203.14349	5.3
215.12657	3.8
217.12251	5.1
227.18051	4.6
235.13106	2.8
237.16307	2.6
245.19008	16.0
255.17426	5.0
263.02954	3.1
263.20026	21.5
267.92651	2.4
272.91498	2.1
273.18491	36.0
276.56723	2.5
291.19489	80.9
295.84781	2.5
309.12952	3.2
309.20450	22.3
309.23645	4.5
310.16452	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.62868	1.4
53.03941	3.2
55.01864	13.1
55.05512	53.9
57.03440	11.7
59.04994	1.9
63.55467	1.3
65.03950	2.8
65.36895	1.8
65.68219	1.3
67.05161	2.8
67.05508	54.2
69.03429	6.2
69.06711	2.2
69.07073	27.7
71.04990	6.6
79.05496	47.4
81.03421	16.5
81.07058	100.0
83.04987	21.0
83.08624	31.8
85.02915	4.4
85.06546	3.8
91.05479	29.7
93.07053	37.5
95.04404	2.8
95.04971	27.8
95.08608	36.0
97.06538	12.3
97.10174	38.2
99.04451	3.0
99.08086	6.3
105.07030	26.7
107.04985	7.6
107.08597	34.7
108.08900	2.0
109.06511	11.1
109.10152	19.1
111.04459	18.5
111.08078	12.7
113.06028	2.8
117.07038	10.8
119.08588	23.6
121.06516	12.1
121.10134	15.7
122.10454	1.5
123.04427	1.9
123.08069	42.3
123.11686	2.1
125.06026	2.5
125.09632	33.3
129.07005	6.2
131.08563	14.0
133.06503	3.5
133.10135	11.2
135.08043	10.9
135.11685	11.4
137.09628	13.0
139.07506	1.4
139.11182	5.3
143.08586	3.9
145.10123	12.6
147.08060	10.1
147.11699	6.5
149.09590	7.9
149.13330	2.4
151.07489	1.7
151.11192	6.1
153.09100	5.2
153.12703	5.6
155.08513	1.9
157.10117	6.2
159.08064	1.5
159.11723	8.6
159.35306	1.4
161.09576	3.8
161.13191	2.7
163.11176	30.0
165.09117	11.7
169.10156	1.8
171.10310	2.1
171.11708	4.0
172.89749	1.4
173.11716	2.5
173.13208	2.1
175.11180	8.0
177.12718	2.4
179.10698	2.1
181.12216	8.6
185.13293	2.9
187.11235	1.7
188.92198	1.6
189.11226	23.9
189.12802	2.0
191.10631	9.0
193.12268	14.3
195.13718	2.0
199.14915	2.1
209.11707	2.0
211.13330	5.7
217.15968	2.3
223.13254	4.5
227.12785	5.5
227.17859	2.2
245.18948	3.5
255.17522	3.2
263.02866	1.7
263.20078	5.2
273.18457	30.3
291.19528	88.1
292.19785	6.8
306.89966	1.4
309.13138	3.5
309.20673	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2059
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	2.8
53.74594	2.3
54.05112	2.2
54.13297	2.1
55.01873	4.7
55.05515	19.4
57.07066	3.1
59.04983	3.7
67.05504	38.0
69.07072	12.1
70.04084	26.4
71.04420	3.0
71.04980	3.7
79.05488	43.8
79.27772	2.7
81.03464	3.1
81.07053	24.9
83.04971	5.5
83.08617	9.0
91.05472	20.4
93.07043	24.0
95.04967	9.4
95.08601	16.5
97.10157	14.0
98.98457	4.5
99.08076	2.4
105.07046	12.5
107.04955	100.0
107.08582	20.8
109.06509	3.0
109.10149	20.3
115.05514	3.2
117.07007	7.5
119.08588	21.5
121.10166	7.7
125.09626	10.6
129.06981	4.7
131.08527	5.8
133.10117	4.1
135.08043	49.9
137.09622	7.9
145.10127	8.4
147.08031	7.5
155.10649	4.3
157.10091	3.7
158.12077	2.8
159.11623	2.5
161.09628	4.7
165.09055	2.5
171.11717	3.0
173.11775	19.3
189.11278	4.2
222.85107	2.6
263.19992	2.6
273.18439	21.4
291.19479	34.9
309.15408	7.1
309.20502	8.4
310.14938	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03949	18.8
55.01879	6.4
55.05510	10.3
57.03429	10.6
59.05005	7.7
65.03928	3.6
67.05498	44.4
69.03103	3.5
69.03416	17.7
69.07069	15.5
71.04996	16.7
71.08624	5.8
71.20261	2.8
79.05489	45.6
81.03422	41.0
81.07058	87.7
82.07390	3.9
83.04983	7.3
83.08612	5.5
85.06534	10.1
91.05473	18.0
93.07038	29.3
95.04971	28.0
95.08599	30.9
97.06523	4.8
99.08098	7.5
103.05443	3.9
105.07020	20.0
107.04945	24.8
107.08578	21.5
109.06512	68.9
109.10109	4.5
111.08060	3.7
111.93858	3.4
113.06013	22.6
115.05452	3.4
117.07026	14.7
119.08588	14.2
121.06496	10.4
121.10166	9.8
123.04448	4.1
123.08073	25.4
124.36024	2.8
131.08560	18.5
133.10149	11.0
135.08040	21.8
135.11673	20.9
141.06960	3.6
141.76175	3.4
143.08539	6.4
145.06500	8.3
145.10110	10.2
145.15585	3.1
147.08067	5.5
147.11705	4.5
149.09628	8.7
149.13261	8.0
153.09096	3.5
159.08002	4.3
159.11711	16.5
161.09669	5.7
163.11217	5.7
167.10826	3.7
169.10107	4.3
171.11717	6.9
173.09657	3.9
175.11134	3.4
177.12756	9.1
187.11198	12.8
195.13889	8.9
199.14804	3.4
205.12244	7.2
217.15862	9.9
241.14430	6.6
245.19131	4.5
255.17574	4.4
263.02863	7.1
263.19867	4.0
273.18390	19.0
291.16302	5.6
291.19547	100.0
292.22733	24.2
293.21121	22.5
309.20660	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03939	3.2
55.01878	9.4
55.05513	19.4
55.90834	1.2
57.03444	12.9
57.07082	1.4
65.03932	1.7
67.05511	29.1
69.03439	2.5
69.07080	9.0
69.51585	3.0
69.51980	5.2
71.04997	5.0
71.08649	1.4
72.41794	1.3
79.05042	2.4
79.05499	36.1
81.03461	1.8
81.07061	100.0
82.07348	1.5
83.04983	20.3
83.08625	9.4
85.02925	5.2
85.06551	5.0
91.05489	19.0
93.07051	24.9
95.04969	13.5
95.08600	20.4
97.06528	5.5
97.10183	7.8
98.23385	2.6
99.04456	2.0
101.14021	1.4
105.07039	13.4
107.04965	3.2
107.08598	20.5
109.06518	50.7
109.10149	9.7
111.04447	19.2
111.08092	6.4
113.06004	11.8
117.07035	7.7
119.08588	24.0
121.06493	4.5
121.10149	12.0
123.08057	10.3
125.06001	2.2
125.09648	6.6
128.52405	1.5
129.07001	3.6
131.08551	10.8
133.06538	2.1
133.10155	9.9
135.08083	8.6
135.11684	5.5
137.09645	2.6
143.08540	4.1
145.10135	12.0
146.10445	1.7
147.08049	6.9
147.11685	4.9
149.09621	4.2
153.09085	1.6
153.12741	4.8
157.10170	5.6
159.11652	1.5
161.09656	3.6
161.13264	2.9
163.11206	9.8
165.09143	5.3
171.10158	2.0
171.11688	1.8
173.09741	2.4
175.11200	1.9
175.14946	2.1
179.14334	5.1
181.12303	7.1
189.11247	2.7
189.16377	4.1
191.10663	8.9
199.14832	4.4
207.17461	2.4
209.11913	2.4
217.15880	4.4
223.13396	3.0
227.12802	4.8
235.16913	25.6
245.19043	1.8
249.14796	2.3
255.17368	2.0
273.18521	18.3
291.19550	51.1
292.20001	2.6
309.20651	24.3
314.71548	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	309.2062
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.74327	1.0
50.84505	1.1
53.03942	3.7
55.01873	14.8
55.05513	53.9
57.03430	10.9
58.03687	1.1
59.04992	1.6
65.03958	1.8
67.05505	41.3
69.03427	6.0
69.07071	21.3
71.05003	6.6
71.22897	1.4
77.03946	2.6
79.05495	55.5
81.00795	0.9
81.03417	18.1
81.07058	100.0
82.07395	1.6
83.04984	20.1
83.05440	1.8
83.08621	24.1
85.02906	2.5
85.06551	4.2
85.07015	1.0
85.24919	1.2
91.05481	23.4
93.07049	39.6
94.04237	1.0
95.04977	17.8
95.08604	27.4
97.02873	1.2
97.06536	16.8
97.07123	1.9
97.10168	36.8
99.04447	2.9
99.08071	5.5
103.71909	1.1
105.04536	2.7
105.07030	22.0
107.04951	7.6
107.08592	23.3
107.09257	2.0
109.06518	27.0
109.10157	10.3
111.04446	14.4
111.08098	8.0
113.06033	4.0
117.07018	8.1
119.08589	19.8
121.06529	6.8
121.10147	17.7
123.04431	1.8
123.08076	32.3
125.06028	2.7
125.09640	32.1
127.07519	1.6
128.06296	1.3
129.07019	5.8
131.08569	11.0
133.06494	3.2
133.10139	7.4
135.08063	12.4
135.11708	8.2
137.09621	10.2
139.11177	2.7
141.07007	1.7
142.52641	1.1
143.08577	3.6
143.10617	1.1
145.10115	14.1
147.08049	6.5
147.11678	6.6
149.09602	8.1
149.13303	4.2
151.11162	1.9
153.09129	4.4
153.12733	6.3
157.10095	6.2
159.11736	4.7
161.09627	6.0
163.11189	19.7
163.12469	2.2
164.11481	1.5
165.09148	10.2
165.12747	1.4
169.10173	1.2
171.10164	4.9
171.11690	3.1
173.09645	3.0
173.13283	1.8
175.11198	5.5
177.12782	2.3
179.10649	1.7
181.12225	8.3
183.11639	1.4
185.13284	1.9
189.11220	26.4
189.12563	1.2
191.10687	8.6
193.12276	8.9
195.13774	2.0
199.14827	1.7
205.12306	1.4
209.11737	2.7
211.13286	4.2
217.15878	3.9
219.13828	2.2
221.15327	1.1
223.13342	7.2
227.12764	6.4
227.17926	1.7
232.73883	1.1
237.16473	1.3
245.18983	2.4
249.14786	2.9
255.17458	4.4
263.20181	1.7
273.18481	23.6
274.18884	1.4
291.19540	83.4
292.19800	5.1
309.20602	26.9
310.20758	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03949	8.8
55.01883	13.3
55.05518	11.4
57.03427	4.3
65.03941	2.3
65.84755	1.4
67.05168	1.9
67.05512	33.8
69.03442	2.9
69.07070	11.5
69.51437	6.8
70.18193	1.7
71.04980	5.7
79.05495	38.8
81.03424	20.2
81.07061	100.0
82.07372	2.7
83.04984	18.5
83.08597	5.5
85.06550	2.7
86.40794	1.7
91.05479	12.7
93.07046	18.4
95.04974	12.6
95.08609	18.6
97.06547	14.7
97.10204	3.4
99.04465	4.0
99.08109	1.8
105.04511	1.7
105.07026	7.6
107.04957	11.4
107.08614	12.7
109.06525	79.3
109.10152	8.3
111.04443	26.7
111.08112	2.5
117.07007	8.3
119.04942	1.8
119.08570	6.7
121.06499	4.3
121.10106	6.1
123.08086	12.1
125.09630	5.2
131.08592	7.8
133.10112	7.6
135.08076	10.2
135.11714	7.2
137.09616	4.7
139.11224	2.9
143.08527	2.6
145.06512	4.5
145.10135	5.6
147.08095	2.2
147.11674	1.8
149.09615	4.5
149.13229	2.5
151.11185	2.1
153.09111	7.1
155.10735	2.0
157.10104	2.9
159.08121	2.2
159.11722	7.8
161.09633	5.7
163.11238	1.9
165.56960	1.9
167.10663	2.7
173.11757	4.0
175.11108	1.7
187.11182	6.2
189.11299	2.9
195.13786	3.5
205.12300	2.7
217.15866	7.3
223.13297	3.6
227.17935	1.9
235.96965	1.7
238.12648	1.6
241.14308	2.7
245.19135	1.9
255.17357	3.0
263.20044	5.0
273.18494	13.5
291.19565	71.2
292.19867	5.6
309.20630	32.8
310.20840	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	4.7
55.01868	10.8
55.05510	16.0
57.03427	4.7
57.07063	6.0
59.04998	1.4
61.91592	1.4
67.05502	26.1
69.03423	1.8
69.07057	6.3
69.85719	4.8
71.04976	4.8
71.08607	1.7
79.05492	27.3
81.03419	12.4
81.07056	55.2
83.04980	17.4
83.08604	7.2
85.02909	3.8
85.06535	5.4
91.05470	15.3
93.07037	24.1
95.04948	14.3
95.08607	14.0
97.06505	4.6
97.10188	7.8
98.97546	2.0
98.98479	2.1
99.04447	3.4
99.08111	1.6
105.07027	11.9
107.04945	7.4
107.08594	13.2
109.06523	20.9
109.10169	7.7
111.04436	25.2
111.08087	8.4
113.05991	1.5
116.98569	1.7
117.07000	10.4
119.08578	19.1
121.06494	9.4
121.10165	9.5
123.08051	8.9
123.11750	1.6
125.05991	2.1
125.09628	4.7
129.06990	5.1
131.08560	11.2
133.06464	2.8
133.10149	3.8
135.08046	12.3
135.11682	9.0
136.29422	1.4
137.09605	4.1
142.25227	1.6
143.08525	3.4
145.10124	14.5
147.08047	9.3
147.11679	3.3
149.09636	5.9
149.13223	1.7
153.12738	9.5
155.08586	1.8
157.10158	4.3
159.11678	4.1
161.09637	5.3
163.11168	12.9
165.09096	5.6
171.11723	2.2
173.09660	3.3
175.11206	2.3
177.12741	1.8
181.12230	8.7
189.11191	4.3
191.10672	8.9
217.15881	2.7
223.13269	4.9
227.12787	6.3
227.17989	2.0
249.14865	4.2
255.17459	3.3
263.02994	2.3
263.20154	2.9
273.18445	24.7
291.19528	100.0
292.19824	4.1
309.14252	1.6
309.20453	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03926	3.2
55.01865	11.4
55.05513	40.9
57.03182	3.3
57.03434	35.7
57.07061	3.0
65.51199	2.5
67.05215	3.0
67.05507	37.4
67.52261	3.0
69.07057	13.0
69.69441	11.2
76.43893	3.0
76.90487	2.6
77.03931	3.0
79.05495	51.4
81.07057	64.8
83.04984	4.2
83.08624	17.3
85.06553	5.6
91.05477	28.7
93.07046	34.8
95.04988	13.3
95.08594	19.4
97.06518	5.2
97.10165	22.7
99.08070	5.8
105.07043	24.6
107.04960	21.9
107.08605	20.5
107.25340	2.8
109.06516	23.7
109.10136	11.8
111.08060	4.4
116.06204	3.5
117.07019	25.7
119.08579	38.5
121.06456	13.5
121.10137	14.8
123.08075	15.1
123.11742	3.6
125.09604	21.9
129.07010	7.0
131.08562	21.5
133.06523	5.1
133.10118	9.8
135.08049	14.5
137.09625	4.0
143.08556	6.7
145.10164	18.8
147.08044	20.4
147.11713	4.0
149.09628	4.4
153.09116	4.0
157.10112	9.3
159.08073	3.1
159.11639	7.8
161.09578	3.2
163.11067	4.6
165.09142	5.2
168.40868	2.8
171.11638	4.3
173.13257	5.9
175.11188	3.7
182.15456	3.5
185.13260	3.2
189.11198	12.1
189.12714	3.3
199.14812	3.2
201.12842	3.2
210.14899	4.8
217.15814	8.8
219.13800	10.5
219.39961	3.4
227.17949	3.3
235.16934	3.8
249.14822	6.1
255.17511	9.6
273.18497	50.0
290.84894	3.0
291.19534	100.0
292.19836	6.7
309.20401	11.6
322.17535	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
51.21233	5.9
54.01151	6.6
55.01859	8.1
55.05502	28.8
57.03425	27.9
57.07076	7.9
59.05010	9.2
62.56879	5.8
64.73619	7.6
67.05505	88.3
69.07059	35.2
71.04998	7.2
71.46550	7.1
79.05494	75.0
81.07057	85.1
83.04967	14.7
83.08615	10.8
91.05476	100.0
93.07043	88.8
95.04963	17.4
95.08600	75.5
97.06519	9.0
97.10150	10.6
99.04424	6.5
105.07041	43.4
107.08605	57.5
109.06514	22.1
109.10145	15.0
111.08058	10.1
117.07015	25.2
119.08602	46.0
121.10136	56.4
130.07545	6.1
131.08557	38.0
133.10170	37.8
135.08064	8.6
135.11707	11.2
137.09612	7.7
143.08487	11.8
145.10097	15.1
147.08040	7.0
147.11678	12.1
157.10143	11.1
159.11711	7.5
161.13333	7.6
163.11177	8.8
173.13297	7.4
179.14311	13.5
189.12663	6.8
189.16364	19.3
199.14806	14.8
217.15848	30.2
235.16945	23.4
263.02740	12.5
291.19333	17.1
309.13013	21.0
309.16989	10.0
309.20639	97.1
310.20508	9.0
321.49561	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.22312	1.6
55.01864	4.6
55.05514	13.9
58.37974	1.5
59.04964	1.8
59.17738	1.6
65.03877	1.3
66.66634	1.3
67.05503	20.8
69.07063	6.6
71.08633	11.5
71.47045	1.8
79.05485	19.1
80.94832	1.9
81.03416	6.1
81.07054	16.2
83.04974	2.2
83.08631	5.7
91.05476	6.7
93.07058	15.3
95.04965	4.9
95.08602	11.0
96.32539	1.5
97.10159	4.5
98.97625	1.5
99.08109	9.0
104.11295	1.5
105.07018	4.5
107.08601	17.0
108.02048	1.8
109.02864	7.6
109.06503	2.7
109.10138	13.0
111.08094	4.1
112.46907	1.7
117.06981	3.0
119.08595	3.3
121.10155	2.4
123.04415	8.0
123.11684	1.7
125.09634	9.7
131.08572	3.1
135.08043	8.8
137.06009	11.1
139.29655	1.7
145.10123	2.0
151.11186	4.6
153.09117	7.4
157.10080	2.9
164.72241	1.7
165.09119	100.0
165.12830	2.9
166.09483	2.8
171.10194	14.3
175.11111	2.7
177.12759	3.9
179.14365	2.8
189.11270	2.2
193.12238	68.7
194.12566	2.6
210.95967	1.6
245.19063	9.9
248.93794	1.6
249.18547	1.8
258.45868	1.5
263.02798	2.5
263.20026	7.6
273.18481	6.3
277.17990	6.5
291.19543	92.0
292.19974	5.2
309.20694	9.3
309.23892	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	309.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
53.42213	3.9
55.01878	4.0
55.05510	25.8
57.03434	6.5
57.07069	11.9
66.24924	4.7
67.05503	43.1
69.07064	37.5
70.06599	4.5
71.05000	7.8
71.08633	7.9
77.91486	4.0
79.05495	44.6
81.03410	7.1
81.07061	67.3
83.04997	7.7
83.08623	13.8
83.91584	4.0
85.06526	8.6
91.05476	45.7
93.07043	97.4
95.04971	93.6
95.05587	4.9
95.08598	76.7
97.06541	35.6
99.66312	4.1
105.07033	89.0
107.08590	50.8
109.05852	4.2
109.06499	20.3
109.10152	37.7
111.08070	4.8
115.05470	7.1
115.12923	3.9
117.07027	19.2
119.08582	88.4
121.06512	14.9
121.10145	100.0
123.08070	19.9
123.11711	10.4
128.06277	7.9
129.06956	19.8
130.07802	6.0
131.08568	45.1
133.10139	52.4
135.08086	4.7
135.11702	18.1
141.07008	9.5
142.07785	13.6
143.08543	25.5
144.09360	6.7
145.10130	61.1
147.11682	10.6
149.09679	5.9
155.08566	13.7
156.09361	10.5
157.10135	44.3
158.10855	6.1
159.11697	53.7
161.09662	18.4
161.13231	11.7
166.13126	5.6
168.09280	5.0
169.10168	13.9
170.10875	5.2
171.11716	17.1
173.09695	5.5
173.13226	23.5
175.14882	17.1
181.10242	7.2
183.11673	8.9
185.13295	11.7
187.11249	13.6
187.14815	33.8
193.10350	5.1
193.12166	10.4
194.10962	4.7
197.13292	9.5
199.11113	4.1
199.14905	8.5
209.13260	10.2
211.14806	9.9
211.77361	4.4
225.16208	4.2
235.14888	13.7
253.15858	3.8
263.03116	5.2
309.22369	35.7
310.16760	5.1
319.46310	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	309.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49369	6.1
55.05504	18.7
58.20151	6.1
59.04982	6.2
67.05509	38.5
69.07063	23.8
71.46747	7.0
79.05476	42.0
81.07062	46.9
83.04984	7.9
91.05494	39.7
93.07043	57.5
95.04974	53.8
95.08598	38.0
97.06538	22.2
103.05450	7.5
105.07020	76.9
107.08575	37.3
109.06548	16.6
109.10163	26.0
109.72352	6.2
111.04459	8.6
117.07021	20.4
119.08599	44.1
121.10152	100.0
123.08062	13.7
123.11653	9.6
128.06169	7.7
129.06995	17.1
131.08553	42.6
133.10127	34.8
135.11673	14.0
137.05965	6.3
142.07771	18.7
143.08542	17.6
145.10101	34.4
147.08096	11.5
147.11633	9.8
157.10101	30.0
159.11703	33.4
161.05966	9.8
161.09653	7.7
161.13286	8.8
167.08543	6.9
169.10072	21.8
171.11684	12.7
171.65645	6.7
173.13187	11.0
175.14902	10.7
181.10114	6.8
183.11632	14.1
187.11084	10.2
187.14812	16.0
199.14827	9.7
203.08597	7.0
215.08591	7.6
229.10229	10.1
231.08087	8.3
235.14832	6.3
244.08835	8.3
245.09639	12.9
247.11038	10.0
258.10330	11.4
262.86801	7.0
263.03027	10.0
273.12762	26.0
275.56857	7.0
291.19763	11.5
309.14963	39.4
309.22079	31.5
309.25470	13.0
310.30798	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	309.2425
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
50.20362	1.6
53.03946	3.2
55.01883	7.9
55.05513	41.3
56.05869	1.4
57.03432	4.3
57.07080	10.1
59.04998	2.7
65.03949	3.0
67.05506	88.3
68.05854	2.1
69.03425	5.7
69.07071	37.6
69.34932	5.1
69.35327	2.0
71.04992	6.1
71.08268	2.2
71.08636	33.7
73.06564	1.7
76.44966	1.2
77.03947	2.2
79.05492	50.0
80.05803	1.3
81.03440	7.6
81.07057	78.4
82.07322	1.5
83.04984	15.2
83.08619	21.6
85.06543	9.4
91.05479	35.0
92.05810	1.9
93.07047	61.5
94.07380	2.4
95.04969	19.9
95.08606	50.3
97.06528	12.8
97.10174	22.7
98.98460	1.5
99.08097	27.6
105.04509	1.9
105.07027	27.7
107.04965	2.6
107.08594	36.0
109.06519	8.3
109.10155	25.3
110.35521	1.5
111.08086	11.0
113.09612	1.4
117.06972	6.6
119.08581	25.0
121.06511	2.1
121.10149	24.6
123.08067	5.9
123.11695	7.4
125.09624	18.0
129.07018	5.6
131.08540	7.4
133.10133	22.3
135.08066	6.7
135.11702	21.3
137.09618	6.3
137.13229	1.5
139.07570	7.1
139.11157	11.6
141.09071	1.8
143.08582	5.0
145.10107	8.9
147.11700	19.0
149.09607	3.3
149.13268	13.3
151.11171	19.2
153.09125	3.2
153.12737	3.4
155.10695	1.5
157.08810	1.8
157.10130	7.3
159.10315	1.5
159.11676	5.2
161.09653	2.2
161.13243	13.7
163.11185	8.3
163.14825	4.3
165.12730	9.2
171.11699	5.2
173.13266	3.6
175.11162	3.9
175.14835	9.9
175.16145	1.5
177.12737	3.1
177.16418	1.5
179.10707	1.8
179.14288	6.5
181.12201	1.6
184.07297	1.5
185.13275	4.5
189.12749	3.1
191.14288	1.4
191.17937	1.8
193.12248	5.5
193.15884	4.5
199.14781	2.3
203.12791	10.3
203.14374	2.4
207.13837	3.0
215.17938	2.2
216.54207	1.3
217.19499	3.8
221.15414	4.6
231.21078	5.7
241.19550	9.0
249.22226	3.0
259.20575	17.4
266.51309	1.5
277.21622	100.0
278.21890	5.3
291.19754	2.1
291.23154	11.6
309.24307	35.1
310.24527	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01873	11.5
55.05514	52.7
56.96570	5.3
57.03439	4.2
57.07076	16.5
59.05013	2.7
65.03941	3.6
67.05508	94.1
68.05864	1.8
69.03420	6.4
69.07067	38.5
71.04989	5.6
71.08643	10.5
73.06556	1.6
77.03976	1.5
79.05495	52.5
81.03418	8.5
81.07058	79.5
81.99799	1.3
82.07422	1.6
82.14192	1.0
82.70972	1.4
83.04987	19.9
83.08625	23.2
85.06550	9.1
85.10201	3.9
86.09692	6.2
91.05479	30.3
91.55495	1.4
93.07046	66.3
95.04972	26.0
95.08609	49.9
96.08938	1.5
97.06532	13.9
97.10172	20.3
98.23492	3.7
98.98515	2.1
99.08080	9.5
101.02918	1.2
104.10737	11.0
105.04542	1.6
105.07032	30.0
107.04954	2.5
107.08601	35.1
108.64999	1.3
109.06516	9.0
109.10158	30.4
111.08099	6.2
112.99100	2.3
113.09622	1.5
117.07047	7.0
119.08588	18.7
120.23303	1.3
120.51926	1.7
121.06504	2.2
121.10149	20.1
123.08066	5.7
123.11707	7.1
125.09633	21.3
126.10030	1.5
127.07594	1.3
129.07016	4.6
129.52483	8.3
131.00208	3.4
131.08562	8.1
133.10124	19.5
135.08089	6.0
135.11700	19.4
137.09641	7.9
137.13239	3.1
138.52969	10.9
139.11179	21.2
143.08595	3.9
145.10103	7.0
147.08066	2.9
147.11682	19.5
148.53246	4.9
149.01299	2.4
149.09608	2.2
149.13254	14.1
150.03754	2.5
151.11208	8.2
153.09099	5.3
153.12744	2.6
154.94292	2.0
157.10156	4.0
157.12280	2.4
157.53778	10.9
159.11699	5.9
161.13269	12.8
163.11229	3.6
163.14865	4.2
165.12790	10.5
166.54305	3.5
169.04604	4.7
171.10364	1.6
171.11687	5.5
172.95233	1.4
173.13274	4.7
175.11172	3.7
175.14827	11.4
177.12706	2.7
177.16434	2.0
179.14354	5.5
181.12204	1.4
184.07359	9.8
185.13310	5.0
187.14827	3.1
189.12834	2.1
191.18005	2.6
193.12271	4.8
193.15910	4.0
198.96739	3.0
203.12799	12.4
207.13873	6.4
215.17932	1.6
217.19470	2.6
221.15318	3.6
228.97897	2.3
231.21089	5.5
235.16972	1.7
240.09961	2.4
241.19548	9.1
249.22209	4.8
254.51744	1.5
258.64453	2.4
259.20584	18.9
267.64716	20.2
268.14877	7.0
276.65213	14.7
277.15414	5.5
277.21631	100.0
278.22037	5.5
279.15433	1.9
288.15973	6.3
288.66364	2.9
291.23264	9.1
296.05734	2.0
297.16611	3.0
309.19009	2.6
309.24350	31.3
309.29901	3.9
310.24445	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	17.0
59.05006	3.9
63.47840	3.2
63.84059	3.1
67.05508	45.6
69.07063	16.7
71.08629	36.6
71.46068	4.4
79.05494	34.8
81.03415	7.9
81.07068	50.5
83.04984	12.6
83.08620	8.2
91.05494	21.0
91.14498	3.3
91.58720	2.9
93.07037	58.1
95.04961	5.2
95.08618	31.2
97.06548	7.2
97.10155	6.1
99.08094	46.9
105.07035	11.6
107.03094	3.4
107.04953	9.4
107.08593	27.4
109.10136	15.5
119.08576	14.3
121.06470	3.4
121.10129	26.7
131.08577	6.2
133.10147	12.7
135.11705	36.4
137.09598	6.7
141.09073	6.3
145.10153	4.6
146.53659	3.6
149.13240	12.6
151.11182	16.3
157.24724	4.0
159.11780	5.0
161.13243	12.6
163.14818	4.6
171.11690	4.8
175.14867	3.5
177.12851	5.7
179.14305	100.0
180.14600	3.0
235.17058	6.0
241.19621	4.3
259.20682	4.4
277.21631	52.9
309.24222	6.6
310.16550	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	309.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01873	2.8
55.05511	16.1
57.03436	2.2
57.07079	3.4
58.10827	1.0
60.11846	0.9
65.03941	1.3
67.05505	33.5
67.05868	1.8
69.03423	1.8
69.06707	1.6
69.07069	28.0
69.57745	3.5
71.05000	1.8
71.08620	3.8
79.05043	1.7
79.05495	29.3
81.03417	45.5
81.03899	2.3
81.07056	32.3
83.04985	11.5
83.08629	11.0
85.10182	1.4
91.05019	1.2
91.05489	14.0
93.07043	31.5
95.04964	31.8
95.08616	12.8
97.06525	4.1
97.10168	8.9
99.08080	1.7
105.07021	15.0
107.04910	1.2
107.08593	21.7
108.22256	1.2
109.06534	6.1
109.10149	7.9
111.08080	2.8
111.50877	1.1
113.09590	1.1
117.07027	4.0
119.08594	7.9
121.06520	1.6
121.10152	7.0
123.08035	3.3
123.11699	4.4
125.09628	14.7
129.06985	2.3
131.08588	3.5
133.10130	11.4
135.08058	4.5
135.11699	8.2
137.09602	1.0
137.13303	1.6
141.26825	1.0
143.08577	2.7
145.10092	1.7
147.08049	1.5
147.11665	10.0
149.13266	8.8
151.11179	27.2
153.09120	5.4
157.10150	1.8
159.11685	1.3
161.09586	1.2
161.13245	12.3
163.14841	4.7
165.12743	4.3
167.10748	1.2
171.10234	1.8
171.11674	4.7
173.13257	3.1
173.73767	0.9
175.11189	1.7
175.14877	2.4
177.12810	2.6
177.16393	1.6
179.14357	2.3
185.13281	4.0
187.14816	1.6
189.12695	1.8
189.16365	1.5
199.14867	2.4
203.12747	14.2
203.14362	1.7
207.13818	3.8
217.19649	1.3
218.99213	0.9
221.15260	2.2
226.63808	1.1
231.17393	1.3
231.20964	4.7
241.19568	6.8
249.22118	3.1
259.20514	5.8
277.21625	100.0
278.21945	5.8
309.24304	4.5
331.38901	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
52.84440	3.8
53.03938	11.4
55.01852	8.1
55.05513	21.8
56.23762	3.9
57.07066	5.1
59.04985	5.6
67.05509	46.4
69.07059	30.2
71.04964	3.7
72.86343	3.6
79.05479	32.4
81.03418	56.2
81.07057	51.2
83.04975	18.2
83.08622	11.6
85.06545	4.2
91.05493	20.2
93.07043	29.7
95.04962	30.7
95.08604	24.2
97.06567	6.1
97.10154	9.8
99.08095	5.0
105.07047	21.0
107.08587	20.4
109.10144	13.9
111.08072	4.0
117.07040	6.1
119.08571	9.5
121.10135	8.9
123.11674	6.6
125.09606	11.7
133.10133	13.9
135.08096	5.3
135.11711	9.0
147.11700	11.0
149.13269	7.5
151.11185	41.2
153.09146	5.0
161.13292	11.2
163.14633	4.4
165.12729	7.6
175.14851	5.1
179.14265	5.3
203.12784	10.4
207.13574	5.6
231.21031	6.5
259.20572	8.0
277.21616	100.0
277.24512	7.6
278.04865	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	309.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.5
55.01875	29.7
55.05513	68.0
56.07375	2.4
57.03437	24.1
57.07086	11.6
59.05005	4.8
61.10448	2.1
65.03938	3.6
67.05507	92.3
68.76578	1.9
68.99801	4.6
69.03428	8.6
69.07069	38.9
69.17170	8.9
69.17587	4.9
71.04999	7.9
71.08631	54.6
79.03966	2.0
79.05494	64.7
80.05856	3.1
81.03423	17.2
81.07059	100.0
82.07404	2.9
83.04984	62.5
83.08623	26.6
85.06568	13.0
85.06985	2.1
85.10193	6.2
91.05483	48.1
93.07049	69.3
94.07426	2.3
95.04964	34.9
95.08610	72.5
97.02920	6.5
97.06537	16.3
97.10173	25.5
98.23461	3.9
98.98493	5.5
99.04452	3.9
99.08093	52.7
103.05442	2.1
104.31451	2.1
105.07028	38.3
107.04943	15.5
107.08595	53.9
109.02895	4.1
109.06522	37.4
109.10146	36.0
111.04456	15.2
111.08085	37.2
112.08416	2.8
113.06009	25.6
113.09647	9.6
116.34719	2.4
117.07020	11.2
119.08578	33.8
119.09300	2.7
121.06519	7.6
121.10143	26.1
123.04443	4.7
123.08058	20.2
123.11723	8.1
125.05988	44.1
125.09633	28.2
127.11195	2.4
128.06310	2.6
129.07016	6.4
131.08582	14.5
133.06482	3.6
133.10126	25.8
135.08075	14.0
135.11678	16.9
137.09616	21.5
139.07573	6.1
139.11203	3.6
143.08572	6.4
145.10124	11.8
147.08073	8.4
147.11688	16.5
148.30716	2.0
149.09683	10.8
149.13254	10.3
151.11189	19.4
153.09132	8.6
153.12781	4.1
153.56190	2.6
155.10664	4.4
157.10164	8.3
159.11765	4.1
161.09612	8.2
161.13242	12.3
163.11148	15.1
163.14857	2.5
165.09171	7.5
165.12770	11.2
167.10678	3.8
171.11684	6.4
173.11795	3.1
173.13286	4.1
175.11258	8.1
175.14821	7.2
177.12758	4.9
179.10741	7.1
179.14392	7.0
181.12291	3.5
185.13358	2.7
189.11307	6.3
189.12798	4.3
189.16347	5.1
193.12326	8.1
193.15971	3.9
195.10213	5.5
195.13857	3.0
199.14917	6.3
203.12820	7.3
207.13885	3.6
207.17488	4.7
217.12297	2.6
217.15961	6.3
219.13844	2.8
221.15445	3.0
227.17897	4.0
235.16924	31.7
241.19560	5.7
245.18906	12.4
252.15065	2.6
255.17509	2.7
259.20569	11.9
263.02765	3.7
263.19989	11.6
273.18469	16.7
277.21609	56.6
278.21899	4.6
291.19568	69.9
291.22885	2.9
292.20004	3.2
309.16794	7.6
309.20590	74.2
309.24255	8.6
310.16910	5.5
310.20880	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	310.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67324	1.0
59.05001	1.9
64.56886	0.9
67.05500	1.0
69.03446	2.7
69.34093	4.3
72.08160	1.0
73.06562	2.2
79.57517	1.0
85.02918	6.9
88.98886	1.0
91.05473	1.2
93.07055	1.5
95.08614	8.5
97.02908	2.2
98.22681	1.8
107.04945	1.9
109.02901	0.9
113.09653	100.0
114.09977	2.7
117.03416	1.7
118.39793	1.0
125.25684	1.1
127.03888	1.3
131.07037	2.0
131.10684	29.5
132.04823	1.0
135.04449	1.2
135.11258	1.3
138.09384	0.9
145.02847	8.2
146.03192	2.9
147.04398	1.9
149.11707	1.2
177.05478	17.2
178.03275	3.3
178.05811	5.8
206.02774	1.4
252.36589	1.2
262.53745	1.1
283.07025	1.8
290.04306	1.0
293.05835	2.3
293.12021	2.2
293.14917	2.5
310.16507	3.4
311.06750	1.6
311.16003	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.2379
Annotation	Melophlin M
Peak:m/z	Relative Intensity
53.03953	6.3
55.01876	6.6
55.05515	90.4
56.05030	2.9
57.03442	9.6
57.07075	9.8
58.30788	2.0
59.05000	3.4
65.03943	4.3
67.05505	100.0
68.05833	2.7
69.03427	6.0
69.07068	44.8
70.06596	9.0
71.08627	6.1
79.05495	34.6
80.05018	27.5
81.05801	8.8
81.07058	79.1
82.06583	13.2
82.07398	4.3
83.04987	5.3
83.08618	38.1
84.08129	3.3
85.06545	3.0
85.10210	1.8
91.05499	13.5
93.07039	13.4
94.06570	22.8
95.04977	3.9
95.08608	19.0
97.06564	2.8
97.10169	56.9
105.07040	12.5
105.09914	1.8
106.06564	2.3
106.74336	2.1
107.07357	1.9
107.08595	20.4
108.08150	6.0
109.10168	8.5
111.08097	2.7
121.10166	8.1
122.09724	2.8
123.11724	4.7
125.09631	54.3
125.10512	3.5
133.10144	3.6
135.11708	4.8
139.11235	2.0
140.14330	11.7
143.10698	8.1
149.13248	3.0
150.12779	77.5
151.11235	1.8
191.81285	2.0
209.11873	3.8
237.11287	5.4
278.21838	2.7
292.22702	46.0
293.23236	2.6
310.16568	8.8
310.23859	18.5
310.31192	3.8
311.12521	4.9
311.15976	2.3
311.25821	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	310.8734
Annotation	Unknow
Peak:m/z	Relative Intensity
60.98560	0.3
62.24211	0.3
78.95640	1.5
81.60024	0.3
86.79575	0.3
94.92397	0.7
94.93007	14.1
96.92815	1.7
109.91705	0.8
112.89603	32.3
114.89337	90.1
116.89127	3.5
136.94022	8.6
138.93811	2.9
145.02843	0.8
160.94025	14.6
174.89590	1.5
177.05463	1.2
184.88142	0.4
189.49873	0.3
192.91064	0.4
198.89655	0.8
200.93298	2.0
203.38887	0.4
203.71111	0.3
206.88747	1.5
212.85190	19.3
212.87029	1.9
214.85144	0.3
216.90651	3.7
227.91956	1.9
228.92856	0.5
232.90031	1.1
232.92281	1.1
234.83366	0.9
234.89922	3.1
234.92113	2.7
236.89688	0.5
236.91826	0.6
237.00273	0.6
243.89352	7.6
250.89441	1.0
256.89624	0.4
284.89380	100.0
285.89749	2.1
310.87531	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	311.0527
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83629	1.1
64.54754	1.3
69.35736	2.8
69.36139	4.7
70.47974	1.2
75.49590	1.0
85.02889	1.2
89.03941	1.1
91.05476	1.9
96.37820	1.3
100.07612	2.4
101.67522	1.4
102.03787	1.3
102.97862	1.1
117.03378	5.3
123.94281	1.3
135.11278	3.3
135.39624	1.1
137.05965	1.1
140.81601	1.1
145.02849	17.6
149.05908	1.3
161.39053	1.3
164.04285	1.6
173.02065	11.1
177.05447	30.2
178.05832	1.7
194.51955	1.0
232.67488	1.2
293.15002	4.3
311.05267	100.0
311.14948	11.1
312.05594	4.2
329.06384	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Porphine
Peak:m/z	Relative Intensity
55.01852	2.2
67.05525	1.3
69.12521	3.0
69.12926	6.8
76.91062	1.3
79.05476	4.9
81.07024	3.5
83.04995	1.3
91.05481	7.7
93.06985	2.0
94.04153	3.8
95.08612	1.2
103.05426	1.8
105.07004	8.3
107.04929	2.9
107.66997	1.3
109.06500	5.2
109.10145	1.7
115.05434	2.2
117.03361	1.4
119.04910	2.7
121.06498	2.5
121.86819	1.3
122.03632	10.9
123.04358	1.5
128.06172	2.2
129.06967	5.7
130.06526	38.5
131.04918	2.9
131.08514	1.4
133.06445	5.1
137.05972	100.0
138.06287	2.6
138.59756	1.5
144.05637	5.0
147.04410	1.7
147.08054	1.5
149.05928	7.7
155.04895	6.1
158.06004	51.7
159.08054	6.4
161.05984	15.5
163.89757	1.3
165.06956	3.8
172.05179	2.8
175.07501	3.9
177.05476	3.3
187.06015	1.7
187.07549	28.9
189.06949	5.6
190.07753	26.2
191.08549	50.8
192.08939	2.8
201.06958	2.9
202.07794	2.2
203.08539	1.6
207.07999	4.9
208.08884	8.4
218.07278	14.2
219.08037	66.4
220.08632	6.1
221.05978	3.1
229.07558	2.3
235.07503	10.2
236.08292	14.0
237.08859	1.9
247.07555	24.0
248.08170	3.9
249.05418	1.5
251.10657	86.5
252.11160	1.5
253.08496	6.8
261.09085	3.4
263.07059	2.6
264.07816	8.9
265.08472	3.4
278.09293	2.0
279.10159	70.2
280.10788	6.5
281.08017	9.1
283.13181	3.8
296.10437	8.9
309.11020	2.0
311.12692	74.4
312.13187	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.54577	0.7
65.03934	0.8
67.05501	1.1
69.03442	0.8
69.07093	0.7
71.45969	0.8
79.05473	2.4
81.07053	1.8
81.68229	0.7
85.41682	0.7
91.05489	5.8
93.07087	0.8
94.04175	2.2
95.04958	1.1
103.05466	2.5
105.07020	2.4
107.04945	1.5
109.06506	2.9
114.49348	0.7
115.05444	2.6
117.07014	2.3
119.04925	3.2
119.08605	0.9
122.03638	4.4
128.06255	1.7
129.06993	8.5
130.06523	75.1
131.04938	3.5
131.06877	1.6
133.06464	1.6
137.05972	100.0
138.06323	2.7
141.06998	2.6
145.06493	13.7
146.03627	2.0
147.04402	4.2
149.05952	1.7
157.06476	18.7
158.06004	43.2
159.06346	0.9
161.05975	9.3
162.06746	4.9
169.06487	13.6
170.06882	0.9
177.05484	1.4
178.07832	2.0
179.08463	0.8
187.07347	0.9
189.07018	1.1
190.07747	5.4
191.08469	0.8
202.07736	1.9
203.08533	5.5
204.09230	1.1
205.10155	3.9
215.08546	8.5
218.07213	4.8
219.08017	1.6
221.09619	4.5
231.08104	2.5
232.08781	1.2
233.09604	10.1
234.06754	1.1
235.07516	1.5
243.08080	1.1
249.08994	4.7
260.07977	1.1
261.09116	17.8
262.09607	1.7
265.12256	1.1
266.09293	1.3
278.09262	0.9
281.11755	7.7
293.11545	5.2
294.11206	4.5
311.05676	1.2
311.14001	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	311.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01231	1.5
55.05510	3.3
56.96566	2.6
57.03435	3.0
63.11981	1.4
67.05519	7.6
69.07062	2.9
71.44298	1.3
79.05487	6.5
81.07066	7.5
83.08624	1.6
91.05492	5.9
92.17072	1.6
93.07041	6.6
95.08612	7.3
99.08112	3.3
105.07037	5.1
107.04926	1.8
107.08611	4.0
109.06520	1.9
109.10175	6.9
113.05942	1.4
117.07025	2.9
119.08620	7.4
121.10140	3.7
131.08563	3.6
133.10132	6.3
137.09607	1.4
145.10201	2.4
149.09631	1.5
151.11166	2.3
159.11732	1.6
160.70029	1.5
164.20926	1.4
168.83748	1.5
215.67296	1.5
219.14026	2.0
249.18474	4.0
257.18896	1.7
275.20081	13.3
293.21039	2.9
311.14676	100.0
311.22195	6.3
312.15012	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32864	0.3
58.58504	0.3
65.97325	0.3
70.06585	1.3
70.53481	0.7
70.53822	0.5
71.04980	1.5
82.06578	1.1
85.75962	0.3
88.07583	0.4
89.03909	3.4
98.23338	0.4
100.07615	4.7
106.04208	0.4
107.04990	0.3
113.03681	0.3
117.03377	16.9
117.10256	3.5
118.03708	0.6
118.08661	2.5
134.03664	1.0
135.04408	0.7
135.11287	8.5
145.02846	57.6
146.03162	2.0
149.05983	6.4
161.09163	0.4
177.05467	100.0
178.05820	3.5
275.14001	1.3
276.12329	3.7
293.14941	14.6
294.13248	1.2
311.15988	13.8
312.16284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1855
Annotation	Mairetolide C
Peak:m/z	Relative Intensity
55.01871	7.9
55.05513	38.6
57.03438	18.4
63.01944	2.0
67.05506	38.2
69.03426	5.4
69.07053	9.4
71.04993	10.4
77.87142	1.8
79.05499	33.4
79.28181	1.9
81.03434	2.9
81.07060	32.7
83.04975	14.4
83.08626	8.3
85.06494	2.0
91.05467	19.2
93.07046	24.5
95.04977	14.4
95.08601	16.2
97.06538	4.6
97.10182	22.0
99.04445	3.8
105.04498	2.8
105.07047	12.1
107.04976	4.7
107.08598	20.8
109.06519	20.2
109.10168	8.6
111.08053	5.4
113.06022	3.2
117.07034	5.6
119.08595	7.5
121.06522	5.5
121.10155	8.2
123.04466	2.7
123.08072	4.6
125.09624	20.1
129.80180	2.0
131.08586	8.0
133.10117	9.8
135.08066	7.0
135.11717	3.0
137.09601	2.7
141.06973	2.0
145.10133	3.5
149.13263	3.2
149.92673	2.1
151.11227	2.3
159.11716	7.3
161.09621	2.7
171.10201	2.3
173.13257	3.2
177.12776	4.0
183.11716	3.0
189.11217	13.1
191.14323	2.8
195.13908	2.2
201.12752	2.0
219.13802	11.5
237.14853	100.0
238.15216	4.6
250.35397	2.4
274.63269	2.8
275.20084	4.7
293.21039	2.7
311.14667	21.3
311.18481	44.7
311.21930	1.9
312.18799	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.222
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03949	1.7
55.01877	4.3
55.05519	12.3
57.03437	3.2
57.07075	31.3
57.07336	3.0
58.31063	1.9
67.05504	26.6
68.97565	1.9
69.03425	2.8
69.07072	7.9
70.52963	2.2
71.04986	3.2
71.08629	17.4
79.05496	11.2
80.94851	1.9
81.03419	3.8
81.07070	12.6
83.04977	18.3
83.08625	3.4
85.02885	2.2
85.06563	2.7
91.05450	9.0
93.07043	14.5
95.04967	7.1
95.08608	19.1
97.06541	6.0
97.10178	4.0
97.88605	1.9
98.97616	2.0
99.08080	9.1
105.07045	4.7
107.04944	4.0
107.08598	7.7
109.02906	2.9
109.06530	3.3
109.10149	18.6
111.04423	20.0
111.08078	3.9
117.06976	2.0
119.08578	8.3
121.10149	4.0
123.08057	2.9
125.06006	7.7
125.09696	2.2
131.08549	4.0
133.10181	6.4
135.04468	4.5
135.11639	3.3
137.09613	4.8
139.11195	17.7
145.10123	3.2
147.11626	2.3
149.02296	2.7
149.09650	3.1
151.11206	8.2
153.05452	18.9
155.10664	12.7
159.11726	3.6
161.09616	3.4
163.11201	4.4
173.11749	7.3
177.12743	5.7
179.10712	2.1
181.04982	6.6
181.12263	7.7
191.10689	11.2
193.04988	7.7
195.13882	2.9
198.89529	1.7
205.57445	2.0
209.11728	100.0
210.12033	3.8
216.90701	2.5
237.11208	76.7
237.14825	4.0
238.11578	5.4
255.12282	23.0
257.19080	1.9
265.21707	3.0
275.20004	11.6
293.17499	6.4
293.21048	41.3
294.21463	2.9
311.18640	4.0
311.22104	8.8
311.25220	10.0
311.74741	7.6
312.15543	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	311.2216
Annotation	trans-EKODE-(E)-Ib
Peak:m/z	Relative Intensity
50.42195	1.6
53.03952	4.3
55.01873	89.6
55.05510	47.1
57.03427	3.1
57.07075	14.0
65.03944	2.1
67.05507	42.8
69.03424	4.8
69.07067	21.5
69.93037	5.3
71.04983	6.2
71.08083	1.4
71.08619	6.4
74.82600	1.7
77.03953	1.8
79.05495	27.8
81.03422	8.1
81.07059	41.2
83.04971	13.1
83.08617	9.1
85.06547	3.0
91.05481	20.7
93.07054	24.3
95.04965	19.7
95.08611	30.4
97.06526	5.3
97.10178	12.5
98.22761	2.8
99.08076	3.1
105.07031	11.8
107.04967	15.5
107.08618	11.0
109.06502	7.7
109.10159	17.4
111.04448	4.5
111.08099	2.1
116.05306	2.6
117.07006	6.4
118.12234	2.0
119.08582	14.1
121.06500	6.8
121.10159	9.7
123.08035	4.6
123.11771	1.6
125.06049	2.6
125.09628	100.0
131.08548	8.6
133.10089	8.0
135.08069	14.0
135.11684	4.4
137.09644	14.9
139.11235	3.3
141.06978	1.7
141.09090	2.8
145.10136	5.5
147.08040	1.9
147.11673	3.2
149.09604	6.3
149.13278	3.2
151.11186	21.1
153.12755	2.7
155.10645	2.4
157.10109	2.2
159.11676	4.7
163.11182	5.4
163.14810	2.4
165.09167	2.6
165.12773	2.6
167.10721	4.1
167.64209	1.7
169.10078	1.8
169.12338	2.0
173.13284	4.1
177.12738	18.0
181.12247	10.6
187.11176	2.2
191.14313	7.4
195.13791	5.9
201.12871	2.0
209.11720	7.7
209.15489	1.7
224.37134	1.9
229.19536	4.9
237.11267	3.4
242.14854	1.6
247.20534	5.8
257.19043	10.3
270.47293	1.6
275.17096	2.3
275.20044	27.3
293.17871	3.1
293.21097	31.8
294.21451	1.6
311.17572	9.6
311.22119	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	311.222
Annotation	Sterebin A
Peak:m/z	Relative Intensity
50.26982	5.1
50.28507	5.8
55.01870	7.1
55.05508	11.5
57.03421	5.7
57.07077	6.5
67.05508	21.4
69.07066	38.1
73.79778	6.0
76.16570	6.0
79.05486	16.3
79.63146	5.2
81.03411	8.7
81.07024	31.8
83.04976	14.9
91.05482	11.3
93.07052	29.6
95.04978	32.9
95.08618	19.7
97.10165	7.6
98.97595	9.1
105.15111	5.7
107.08592	17.8
111.04401	12.0
119.08562	10.8
121.10113	12.6
131.08589	9.7
135.08093	16.5
135.11633	6.9
144.06287	10.6
159.11758	9.7
161.13373	7.6
165.17345	6.2
187.11139	7.7
216.90666	9.9
237.11293	8.0
237.14819	30.7
275.19992	28.2
293.21115	100.0
294.21530	8.2
311.21793	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03949	4.5
55.01871	83.5
55.05255	3.1
55.05513	53.7
57.03434	9.5
57.07074	14.3
65.53737	1.8
67.05505	47.0
67.05865	2.6
69.03429	3.4
69.07067	29.7
71.04995	6.0
71.08636	5.4
71.46668	2.1
71.47111	1.7
77.03910	2.0
79.05493	29.7
81.03404	10.3
81.07056	44.9
83.04977	10.1
83.08612	12.8
85.06542	2.1
91.05474	21.4
93.07045	26.7
95.04975	16.8
95.08609	35.2
95.72875	1.6
97.02890	3.7
97.06538	5.2
97.10176	17.1
99.04452	2.3
99.08057	2.1
105.04479	2.4
105.07018	15.7
107.04941	16.8
107.08593	17.9
109.06506	9.2
109.10152	21.2
111.04443	9.5
111.08072	4.6
117.07007	8.1
119.08570	17.8
121.06474	8.1
121.10149	11.7
123.08055	8.5
123.11711	4.0
125.05984	6.2
125.09627	82.0
126.10011	2.6
127.11169	1.8
129.07005	2.9
131.08582	10.6
133.10141	12.9
135.04413	100.0
135.05336	3.7
135.08061	8.2
135.11688	7.1
136.04778	2.6
137.09605	19.2
137.13255	2.1
139.07596	1.9
139.11162	3.6
141.06990	2.1
143.08594	2.3
145.06593	1.8
145.10112	7.0
146.07248	3.2
147.08044	2.0
147.11746	3.9
149.09613	5.7
149.13245	6.1
151.11188	16.4
153.12741	2.7
159.11682	5.1
161.09610	43.3
161.10773	2.7
162.09978	2.4
163.11203	6.6
163.14908	3.0
165.09093	1.8
165.12730	2.9
167.10760	3.7
169.10168	2.9
173.09613	1.7
173.13254	4.2
177.12723	15.0
179.10777	2.2
181.04961	3.5
181.12244	8.6
183.11655	1.9
187.11217	3.5
191.10652	3.0
191.14330	4.4
193.12308	2.1
195.13805	5.2
201.12762	3.0
209.11761	17.9
229.19502	3.7
237.11215	12.7
239.17787	2.6
247.20560	7.1
255.12306	3.5
257.19070	9.1
265.21674	2.8
275.20099	23.4
293.17807	3.6
293.21075	28.6
311.16144	3.1
311.22510	2.1
311.25851	18.7
312.32635	13.9
323.63382	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03952	1.8
55.01855	5.2
55.05504	8.9
57.03441	1.3
57.07075	28.9
61.61683	1.0
63.63961	1.0
64.94277	1.0
67.05499	20.6
68.99783	1.5
69.03431	3.5
69.07067	5.0
69.55516	3.9
69.55862	1.7
70.06557	0.9
71.01331	1.0
71.04988	6.1
71.08627	7.8
72.08141	1.4
79.05478	6.5
79.93132	0.9
81.03415	5.5
81.07057	14.7
83.04987	8.6
83.08656	1.9
84.05309	1.1
85.02895	7.0
85.06538	2.1
91.05476	10.3
93.07041	12.7
95.04971	7.6
95.08603	39.3
97.06541	5.3
98.23473	2.2
98.97642	2.0
99.04450	3.0
99.08080	7.3
101.02398	1.3
105.07034	3.9
107.04937	5.7
107.08591	5.5
109.02878	3.9
109.06513	3.9
109.10158	15.5
111.04439	19.5
111.08051	1.3
113.06024	3.6
116.98640	1.5
117.07033	1.8
119.08583	10.0
121.10140	4.3
123.08075	8.8
123.11684	1.4
125.05977	6.8
125.09635	2.4
126.28410	1.1
127.11189	1.8
130.26457	1.0
131.08606	1.6
133.10115	9.0
135.04420	2.9
135.11668	3.5
137.09593	7.7
138.09903	1.1
141.06982	1.1
141.09131	1.3
145.10127	2.5
147.11624	2.6
149.09613	3.1
151.11182	12.1
153.05473	18.9
153.12695	1.6
155.10652	38.0
159.11719	3.1
161.09615	2.2
163.03783	1.2
163.11206	4.8
165.12767	1.6
177.12730	3.3
179.10577	1.3
179.14299	1.5
180.03363	1.1
181.04967	6.1
181.12239	8.3
183.13847	1.9
191.10649	12.3
193.04913	1.6
209.11719	100.0
210.12070	5.0
219.10286	2.0
221.15361	3.1
223.13321	3.4
229.19499	1.7
237.11205	87.8
238.11609	4.1
241.14366	2.0
247.20790	2.0
251.20073	4.1
255.12271	26.2
257.18948	1.7
265.21735	2.1
275.20068	11.6
293.17514	10.2
293.21115	41.9
294.21411	3.1
306.01782	1.1
310.41757	1.1
311.18698	8.4
311.24631	2.0
311.74832	1.7
312.15460	1.2
312.50134	1.0
324.29840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03936	5.1
55.01863	4.7
55.05514	27.0
56.44061	1.6
56.96547	1.6
57.03441	4.4
57.07066	2.7
67.05507	69.8
68.05812	1.8
69.03423	4.7
69.07069	22.4
69.15900	8.4
71.04983	3.3
79.05496	39.6
81.03436	2.7
81.07060	70.6
83.04984	5.5
83.08624	16.1
85.06543	5.3
85.97694	1.4
86.09713	30.1
91.04942	2.3
91.05480	34.8
93.07049	41.0
95.04977	19.7
95.08608	37.1
97.06520	10.5
97.10178	10.1
98.98432	1.6
99.08099	3.1
105.03397	100.0
105.04528	5.1
105.06352	2.5
105.07034	40.8
106.03711	3.1
107.04955	5.6
107.08585	29.0
109.06509	6.8
109.10160	32.7
111.08074	6.5
117.07016	11.8
119.08590	34.1
121.06505	4.9
121.10149	18.0
123.08092	7.1
123.11665	7.9
125.09621	7.7
129.07022	4.3
131.08571	17.6
133.10133	37.3
134.05928	1.4
135.08063	5.9
135.11687	9.1
137.09633	7.4
143.08582	3.4
145.10115	15.2
147.08035	2.2
147.11694	17.9
149.09607	10.1
149.13258	6.0
151.11208	5.1
153.09119	2.0
155.10602	2.5
157.10100	4.6
159.11702	12.3
161.13272	3.6
163.11252	6.9
165.12744	3.2
169.10107	3.2
171.11673	4.3
173.11739	12.3
173.13281	5.5
177.12750	4.2
183.11751	3.4
187.11185	2.5
189.11221	4.9
190.12283	15.5
193.12228	1.6
195.13785	7.5
197.13333	3.3
213.16451	2.3
215.14281	1.6
229.19551	5.1
233.15259	1.5
235.16963	4.8
239.17926	5.9
242.73009	1.5
247.20540	3.9
249.18459	3.1
257.19006	12.9
265.21698	2.2
275.20084	89.5
276.20459	5.1
293.16602	2.3
293.17624	2.2
293.21051	17.0
293.24054	2.4
311.14700	1.8
311.17590	18.0
323.33185	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03940	2.0
55.01872	1.6
55.05513	35.2
56.05837	0.8
57.03439	20.5
57.07077	12.6
59.05003	0.8
59.52502	0.3
65.03935	0.6
67.05506	28.3
68.05843	0.4
69.03115	0.3
69.03417	1.6
69.07070	47.5
69.63049	1.1
70.07407	0.9
70.92310	0.3
71.04995	2.6
71.08634	6.1
73.06551	0.6
73.21889	0.3
79.05499	11.5
81.03426	5.1
81.07057	28.9
83.04989	1.4
83.08622	25.6
84.08936	0.4
85.06540	1.9
85.10187	2.6
91.05492	3.1
92.25497	0.3
93.07049	15.9
94.07397	0.4
95.04972	4.2
95.08608	22.7
96.08930	0.5
97.06527	4.4
97.10171	17.7
99.08097	1.0
101.05983	0.4
101.09679	0.4
105.07028	1.2
107.04950	0.8
107.08595	8.9
109.10158	10.8
111.04423	0.5
111.08082	4.1
111.11704	3.9
113.09706	0.4
115.07561	0.3
119.08562	1.3
121.06516	0.6
121.10147	14.7
122.10506	0.5
123.08047	0.4
123.11711	4.7
125.09641	3.3
125.13227	0.6
131.08597	0.5
133.10147	0.8
135.11694	10.9
136.12065	0.5
137.09615	6.9
137.13248	3.1
139.11205	1.5
145.10132	0.5
147.11678	0.3
149.09599	0.7
149.13251	4.1
151.11212	0.5
151.14850	0.8
153.12743	1.7
155.10712	0.6
159.11649	0.6
163.11182	0.5
163.14807	2.0
165.09100	0.7
167.10686	0.4
167.14319	1.1
171.63074	0.3
173.11723	2.0
177.12669	0.5
177.16371	0.9
189.11168	0.6
190.37491	0.3
209.11774	1.1
219.21072	3.1
237.11217	1.0
237.22147	4.2
247.20538	0.5
255.78790	0.4
257.19135	0.6
275.20090	3.9
293.21075	9.7
294.21396	0.7
296.29227	0.3
311.25790	100.0
312.26099	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	311.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.8
55.05512	16.6
57.03436	8.9
57.07081	12.5
67.05505	65.8
69.07068	17.1
71.05006	3.0
79.05496	67.1
81.07059	94.0
82.31581	2.6
82.87757	2.5
83.04990	6.9
83.08635	11.2
85.06555	4.1
91.05476	40.2
93.07047	81.3
93.07600	4.8
95.04964	3.4
95.08606	77.7
97.06549	7.6
97.10174	3.9
99.08109	12.7
105.07032	26.3
105.18693	2.6
107.04961	3.7
107.08594	74.3
109.02941	2.9
109.06555	5.6
109.10155	35.0
111.04464	8.2
111.08107	7.2
117.06967	13.1
119.08591	29.7
121.10146	81.0
123.08106	8.2
123.11750	7.9
125.05994	5.0
128.16360	2.9
131.08572	42.9
133.10130	22.5
135.04407	5.8
135.11702	39.5
137.09630	8.6
145.10130	41.7
147.11708	4.5
149.09680	4.0
153.05501	10.2
159.11697	19.1
161.13348	3.2
163.11220	4.3
173.13310	8.4
175.14873	3.1
181.12260	5.2
191.10703	4.2
191.17986	9.7
201.16383	89.1
202.16632	4.5
203.17932	4.0
209.11746	39.6
210.12036	3.3
219.15298	4.7
219.17438	100.0
220.17892	3.9
237.11195	38.4
255.12288	9.8
275.20078	4.3
292.96817	2.9
293.17764	6.4
293.21191	19.4
311.22183	20.5
311.25894	8.8
312.16174	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	311.2219
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01867	7.2
55.05513	23.6
57.03424	4.9
57.07071	5.9
59.05005	2.7
63.45908	1.9
65.03935	2.1
67.05161	3.3
67.05504	54.6
69.03418	6.6
69.07060	13.8
71.04986	7.0
71.08632	62.2
79.05493	24.4
81.03405	7.2
81.07061	30.0
83.04990	21.9
83.08622	7.8
85.02885	3.9
90.58495	2.3
91.05474	14.6
93.07042	26.4
95.04962	10.9
95.08023	3.1
95.08604	37.3
97.06528	8.6
97.10159	8.2
98.97572	4.1
99.04393	2.9
99.08093	41.2
103.18742	2.0
105.07021	10.4
107.04945	3.4
107.08600	9.5
109.06495	4.3
109.10154	39.2
111.08053	3.6
117.06992	3.7
119.08564	12.5
121.06503	4.0
121.10134	9.2
121.20631	1.9
123.08065	4.2
123.11723	2.3
125.09634	5.6
127.11144	2.7
131.08568	8.1
133.10139	11.7
135.08096	2.5
135.11674	7.3
137.09598	13.0
139.11186	47.7
141.06960	2.2
141.09111	4.4
141.12733	2.6
147.11685	3.6
149.09601	3.7
149.13257	5.7
151.11177	34.8
155.10675	19.7
159.11696	7.4
161.09636	9.1
165.12752	4.9
173.11736	20.5
176.69121	2.1
177.12770	19.2
179.10649	5.4
195.13838	7.2
216.90793	2.3
229.19415	3.4
239.17987	3.3
244.17308	1.9
247.20627	2.9
250.22871	2.2
252.23230	3.0
257.19043	10.1
265.21606	2.8
275.19998	28.8
281.21088	2.7
293.21103	100.0
294.21323	7.0
311.22263	27.9
311.30508	3.7
312.22528	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	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
55.01866	4.2
55.05509	21.8
57.03429	3.0
57.07080	9.9
59.04998	1.5
67.05508	41.4
69.03429	6.9
69.07069	8.1
69.96835	2.7
71.04999	14.6
71.08633	23.0
71.37563	0.9
79.05487	8.7
81.03435	5.4
81.07059	15.1
83.04990	5.8
83.08628	4.9
85.02909	19.2
85.06539	2.1
88.71094	1.2
91.05487	18.5
93.07050	24.3
95.04962	10.0
95.08608	100.0
96.08939	2.4
97.06530	2.4
97.10178	2.7
99.04449	3.2
99.08104	20.7
101.06004	5.2
105.07030	6.1
107.04929	1.4
107.08620	5.1
109.06512	2.9
109.09415	2.0
109.10160	32.5
109.85645	1.0
110.10467	1.2
111.04417	2.6
111.08081	2.7
113.06017	5.2
113.09708	1.3
117.07018	2.6
119.08591	21.4
121.10157	4.7
123.04456	2.2
123.08079	17.9
123.11687	2.0
127.11171	5.3
131.08565	3.9
133.10129	20.5
135.11699	2.4
137.09621	21.4
140.14404	1.5
141.09123	2.3
145.10144	2.9
147.11723	1.7
149.09674	1.3
149.13165	1.3
151.11176	24.4
152.11632	1.7
153.05495	3.1
155.10672	85.0
156.11040	2.9
157.10165	1.5
159.11702	3.7
161.09634	3.5
165.12813	1.9
173.11766	1.3
177.12766	5.8
179.10692	2.4
181.12251	1.7
181.35059	1.1
183.13849	5.8
191.10670	2.0
191.14346	1.3
209.11736	15.3
210.12057	1.1
223.13179	1.2
229.19493	3.5
231.21278	1.2
233.19069	1.2
237.11206	11.4
247.20557	5.6
251.20078	11.3
255.12260	4.0
257.18866	2.5
265.21585	3.1
275.20071	18.9
277.21811	1.2
293.21091	96.5
294.21417	6.7
294.24136	2.4
311.21991	3.0
324.57291	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2218
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03945	7.8
55.01875	79.3
55.05515	57.2
57.03442	8.1
57.07081	24.5
60.83933	4.3
65.03934	4.9
67.05508	92.4
69.03438	12.9
69.07082	35.0
69.55716	14.2
71.04998	9.2
71.08625	9.9
79.05492	44.0
81.03422	17.0
81.07063	74.0
82.07332	4.3
83.04996	19.8
83.08631	13.8
85.06580	5.9
85.10178	4.3
91.05494	36.2
93.07051	48.6
95.04973	30.7
95.08608	100.0
97.06549	14.0
97.10166	15.4
99.08113	9.9
101.33990	3.9
105.07048	24.9
107.04968	22.0
107.08598	36.7
109.06556	18.8
109.10184	34.4
111.04449	12.2
111.08099	11.6
113.06046	5.7
117.07027	12.7
119.08586	29.2
121.06523	8.4
121.10159	22.8
123.08090	15.2
123.11716	8.8
125.09643	86.5
129.06995	6.5
131.08583	15.1
133.10126	19.6
135.08032	11.6
135.11674	16.0
137.09636	22.3
139.11217	7.3
145.10167	13.0
147.11720	8.8
149.09624	10.2
149.13235	6.9
151.11172	34.8
153.05489	11.8
157.10187	6.8
159.10188	18.8
159.11729	14.0
161.09618	6.3
163.11229	5.8
165.09108	6.8
166.09448	6.6
167.10735	17.3
173.13150	4.7
175.11258	5.5
177.12758	24.2
181.04991	6.1
181.12299	11.7
191.10637	9.7
191.14386	6.4
194.12550	7.6
195.13972	8.5
201.16470	8.1
209.11729	61.3
219.17416	8.0
237.11185	49.0
238.11542	4.7
255.12340	15.4
257.18973	11.4
265.21634	38.9
275.20068	41.4
293.21088	50.1
311.22153	13.0
317.86249	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01873	17.7
55.05502	51.4
57.03432	14.1
57.07071	13.5
67.05507	93.6
67.66168	6.3
69.03426	14.2
69.07072	63.9
71.04984	11.8
71.08639	41.0
79.05493	51.9
80.48250	7.0
81.03408	9.9
81.07056	77.7
83.04973	30.7
83.08603	25.9
85.02890	6.8
91.05477	29.1
93.07043	79.7
95.04973	17.5
95.08604	62.2
97.06552	40.4
97.10165	12.6
99.04451	9.9
99.08094	26.4
105.07034	18.3
107.08596	60.0
109.06545	19.9
109.10137	52.9
111.04465	17.3
111.08083	14.0
113.06003	30.5
119.08574	28.6
121.10173	17.9
123.08105	9.6
125.05991	18.8
125.09659	7.6
131.08568	11.6
133.10124	19.2
135.08061	9.7
135.11700	100.0
137.05998	13.0
137.09628	14.7
137.19264	5.9
139.03909	14.9
139.11223	43.4
141.05467	16.3
145.10126	18.6
147.11731	9.9
149.09583	11.3
151.11215	22.1
153.05513	13.2
153.12715	30.5
155.07037	8.0
155.10683	23.3
157.10144	6.4
159.11697	15.0
163.11229	8.7
165.12691	7.4
173.11745	20.1
175.11128	6.0
177.09070	6.9
177.12759	10.3
179.10667	11.4
181.05075	6.1
195.13763	9.1
201.16487	9.0
219.17436	7.2
229.15950	13.0
229.19406	7.7
247.16951	22.8
257.18942	7.6
265.18066	23.1
275.20053	28.1
293.17493	31.4
293.21091	92.8
294.21237	7.1
311.18512	81.3
311.22183	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	311.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03976	5.1
55.05515	19.8
57.07082	6.1
65.11839	4.8
65.73827	4.0
67.05523	34.8
69.07079	46.6
69.93726	10.2
77.70678	4.8
79.05505	21.8
80.91608	4.6
81.03422	6.8
81.07058	39.0
83.08644	13.2
87.86470	4.2
91.05470	28.9
93.07053	100.0
95.04975	85.5
95.08617	88.2
97.06538	27.1
105.07037	63.2
107.08596	49.7
109.06543	9.4
109.10161	40.4
117.07045	17.7
119.08577	73.8
121.06534	17.9
121.10153	59.3
123.08103	26.2
123.11706	16.8
131.08585	19.5
133.10153	31.7
135.08051	11.3
135.11708	18.0
137.09636	5.7
137.13318	5.8
141.45628	5.2
143.08560	14.1
145.10126	37.8
147.11725	18.0
149.09604	9.5
149.13295	9.3
155.08557	8.2
156.09351	5.4
157.10147	24.6
159.11713	48.9
161.09618	8.9
161.13268	16.4
163.11156	8.9
163.14951	5.8
169.10179	5.9
171.11690	20.0
173.13295	11.6
175.14890	10.6
177.16376	27.7
183.11751	7.7
185.13293	7.9
189.16402	20.1
195.11763	6.3
197.13283	8.0
199.14890	8.1
201.16428	11.0
209.13467	7.5
211.14908	10.4
213.16306	9.6
215.18073	13.0
219.17526	8.0
237.16351	6.2
255.20935	6.8
311.23648	47.1
312.32687	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.237
Annotation	14'-apo-beta-Carotenal
Peak:m/z	Relative Intensity
53.03942	5.5
55.01871	3.2
55.05513	21.7
57.03440	4.8
57.07067	6.3
59.04990	2.0
63.86608	2.0
67.05499	43.5
69.07065	70.8
70.73642	3.4
71.04994	4.9
77.03921	2.8
77.89027	2.2
79.05492	25.8
81.03418	7.8
81.07056	50.5
83.04964	4.7
83.08617	12.3
85.06548	2.6
85.65562	1.9
91.05474	37.1
93.07043	93.9
93.35516	1.9
95.04968	94.5
95.08609	100.0
96.08908	2.8
97.06534	36.2
97.10165	5.8
101.66482	1.9
105.04498	3.2
105.07025	71.4
107.08596	59.7
109.06506	14.4
109.10156	41.1
112.30566	2.0
115.05474	3.2
117.07010	19.4
119.08575	71.2
119.09428	4.7
121.06506	18.2
121.10143	65.8
122.41988	2.2
123.08073	19.4
123.11696	19.1
128.06187	3.6
129.07025	8.6
130.07765	5.0
131.08577	25.3
133.10130	42.4
135.08040	16.9
135.11716	16.1
137.09605	6.3
137.13243	6.0
141.06946	2.3
142.07800	9.3
143.08519	11.1
144.09364	3.2
145.10124	44.0
147.11667	28.5
149.09622	4.0
149.13298	6.3
151.11238	2.2
155.08548	7.1
156.09366	4.5
157.10107	27.6
158.10902	2.5
159.08049	7.4
159.11697	53.4
160.12305	2.7
161.09619	9.7
161.13258	14.4
163.11174	4.9
169.10109	11.8
170.10883	2.7
171.00423	2.5
171.11691	19.6
173.09676	4.2
173.13252	16.8
175.14851	14.6
177.16379	24.4
181.10129	3.0
183.11685	7.7
185.13235	11.9
187.11198	7.2
187.14796	7.0
189.12787	4.8
189.16405	18.4
195.11676	7.6
197.13268	9.6
199.14793	11.6
201.12779	2.3
201.16341	13.3
203.17950	7.2
209.13278	4.0
211.14871	9.1
213.16368	5.5
215.17969	8.9
219.17509	6.2
223.14798	6.0
225.16406	2.6
227.17928	4.2
228.18764	2.3
237.16380	5.7
241.19484	2.7
243.21201	3.2
255.17540	2.4
255.21115	5.9
256.17520	2.3
267.21066	3.1
293.22693	6.9
311.23651	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
51.15114	0.3
53.03946	1.7
55.01871	1.3
55.05510	35.9
56.05843	0.6
57.03437	21.2
57.07074	11.2
58.75373	0.3
59.04993	0.9
65.03947	0.8
67.05504	27.1
68.31551	0.3
69.03431	1.3
69.07067	47.3
69.82716	0.8
70.07396	0.5
71.04987	1.9
71.08627	6.2
71.73091	0.3
73.06560	0.7
77.03931	0.5
79.05489	11.9
81.03422	4.0
81.07054	29.4
82.07362	0.4
83.04982	1.9
83.08617	26.7
84.08940	0.5
85.06524	1.8
85.10177	2.5
91.05470	3.4
93.07041	14.5
94.07357	0.4
95.04971	2.8
95.08602	23.6
96.08931	0.7
97.06528	5.2
97.10167	16.1
98.10491	0.3
99.08094	1.3
101.06010	0.5
101.09670	0.4
105.04504	0.4
105.07031	1.4
107.04956	0.7
107.08593	8.6
109.06491	0.7
109.10159	9.9
111.04379	0.3
111.08086	3.3
111.11710	3.7
113.09613	0.5
115.07578	0.5
117.06960	0.3
119.08541	2.0
121.10143	14.0
122.10515	0.5
123.08028	0.7
123.11697	4.6
125.09634	3.5
125.13266	0.6
127.11237	0.8
131.08589	0.3
133.10106	0.6
135.08031	0.5
135.11694	9.6
137.09615	5.9
137.13254	3.1
139.11201	1.8
141.12762	0.5
145.10089	0.5
147.11635	0.4
149.09610	0.4
149.13269	4.3
151.11232	0.4
151.14864	0.4
153.12776	1.5
155.14235	0.3
159.11673	0.3
163.11160	0.7
163.14836	1.7
165.09154	0.4
167.14284	0.6
173.11703	1.5
177.16353	0.8
181.12204	0.4
181.15811	0.6
182.85635	0.3
189.11179	0.9
209.11746	1.3
216.55025	0.3
219.21094	3.1
237.11223	1.1
237.22099	3.7
238.22609	0.3
247.20598	0.6
255.12204	0.4
257.18817	0.4
265.21655	0.4
275.20044	2.8
279.19635	0.5
293.21094	10.6
294.21487	0.8
311.25775	100.0
312.26102	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	311.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
53.86509	0.3
55.01876	1.9
55.05511	40.8
56.05846	0.7
57.03439	22.2
57.07076	14.9
59.05000	0.6
65.03939	0.9
67.05505	24.9
69.03420	0.7
69.07067	43.0
70.07397	0.5
71.04990	1.9
71.08633	6.2
71.47098	0.6
73.02909	0.5
73.06534	0.7
79.05492	11.5
81.03415	0.9
81.07055	34.1
82.07391	0.7
83.04968	1.8
83.08619	28.7
84.08951	0.8
85.06548	2.8
85.10170	2.7
91.05473	3.0
93.07042	14.4
95.04956	2.0
95.08605	33.8
96.08952	1.0
97.06528	5.7
97.10166	17.2
99.08055	1.9
101.05968	0.6
104.77001	0.4
105.07021	2.4
107.05011	0.5
107.07929	0.7
107.08597	10.4
109.10152	10.6
110.10457	0.4
111.04435	0.9
111.08078	3.9
111.11729	4.3
113.09635	1.1
115.07511	0.4
115.11237	0.5
117.07047	0.8
119.08570	1.4
121.10140	15.3
122.10497	0.5
123.08044	0.7
123.11715	6.6
125.05952	0.4
125.09619	3.2
125.13291	0.8
127.11214	0.5
129.05496	1.5
131.08559	1.5
133.10110	1.6
134.99754	0.4
135.11690	11.4
137.09613	1.0
137.13258	3.5
139.11189	1.6
141.09096	0.5
145.10130	1.0
145.65631	0.3
147.11673	0.5
149.05948	0.8
149.09618	0.4
149.13264	3.8
151.14848	0.8
153.05449	0.9
153.12737	0.8
155.08847	0.5
159.10164	2.2
159.11627	0.9
161.13214	0.4
163.14807	2.6
167.14314	0.8
169.84972	0.4
173.11833	0.4
173.13229	0.8
177.16449	1.0
181.04971	0.6
181.12286	0.7
191.10674	0.4
195.13895	0.4
201.16422	2.0
209.11690	3.8
219.17516	2.7
219.20987	3.2
228.96120	0.4
237.11237	3.4
237.22133	4.5
255.12236	0.9
265.21597	5.2
275.20047	1.3
293.17929	0.5
293.21066	2.8
311.25778	100.0
312.26096	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	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13615	0.5
53.03954	0.9
55.01871	0.7
55.05513	46.4
56.05842	0.7
57.03439	19.1
57.07077	22.4
59.04995	0.4
67.05160	0.5
67.05508	6.7
69.07069	47.9
69.31026	1.0
69.31413	0.9
70.07388	0.7
71.04987	0.7
71.08267	0.8
71.08633	12.0
73.02881	0.4
73.06564	0.5
79.05489	3.9
81.07056	9.7
83.04986	1.5
83.08620	42.0
84.08943	0.6
85.06532	0.7
85.10183	4.9
91.05428	0.6
93.07037	4.9
95.08602	6.5
97.06535	4.5
97.10171	29.2
98.10480	0.6
99.08092	0.5
101.06002	0.7
102.00948	0.4
102.44187	0.4
107.08599	3.5
109.10142	2.5
111.08057	2.2
111.11727	9.2
113.35849	0.4
115.07611	0.5
121.10143	5.8
123.11700	1.2
125.09605	1.5
125.13287	2.2
135.11705	3.9
137.13226	0.6
139.11182	0.9
149.13249	1.9
153.12773	0.8
153.16217	0.4
163.14809	0.9
163.35442	0.4
195.46074	0.3
199.93105	0.4
203.53760	0.5
209.11722	1.0
219.21065	1.9
237.11174	0.9
237.22083	0.6
311.25793	100.0
312.26202	5.3
312.33047	0.4
318.13937	0.4
323.05392	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03933	0.9
55.01870	1.4
55.05511	45.3
56.05850	0.6
57.03437	19.6
57.07077	24.8
59.05000	0.9
67.05507	7.5
67.53314	0.5
69.07069	52.5
70.07401	1.3
70.70550	0.9
71.08630	13.8
75.04472	0.7
79.05498	4.7
81.07058	9.2
83.04981	1.1
83.08620	49.8
84.08945	1.1
85.06545	0.8
85.10181	6.9
85.75185	0.4
91.05498	1.0
93.07040	6.4
95.04917	0.5
95.08609	7.4
97.06533	4.7
97.10170	31.3
98.10503	0.6
99.08099	0.9
105.07021	0.5
107.08600	5.0
109.10156	3.4
111.04467	0.7
111.08096	2.8
111.08753	0.4
111.11719	9.0
121.10143	5.9
123.11726	1.5
125.09641	2.0
125.13238	2.5
135.04399	1.4
135.11700	5.7
137.13255	0.8
139.11183	1.3
139.14780	0.7
149.13258	2.1
150.32118	0.5
153.05435	0.8
153.12752	0.6
161.03384	0.5
161.09666	0.9
163.13618	0.5
163.14862	1.1
171.50108	0.5
174.38396	0.4
175.13094	0.4
179.30688	0.5
181.04901	0.6
182.57220	0.5
185.01349	0.5
209.11717	4.1
218.89122	0.5
219.21091	1.4
237.11185	3.0
255.12334	0.7
256.64868	0.5
266.05658	0.5
311.25793	100.0
312.15411	0.9
312.26120	7.1
312.32437	1.0
312.36032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10697	3.4
55.01876	28.5
55.05511	37.8
55.07456	3.2
57.07079	43.2
59.37471	3.1
67.05163	4.6
67.05505	69.4
69.07067	38.2
69.42484	12.2
70.06593	3.6
71.04984	3.5
71.08639	4.5
79.05502	20.9
81.07057	81.2
83.04970	10.5
83.08608	14.1
85.06549	8.1
87.08109	3.5
91.05489	10.1
93.07045	26.8
95.08606	65.8
95.36046	3.4
97.06543	11.4
97.10163	14.0
99.77566	3.2
105.07018	5.9
106.18315	3.3
107.08587	20.0
109.10152	35.5
119.08608	5.6
121.10152	24.2
123.11706	15.0
125.09611	30.6
127.11213	20.0
129.96468	3.5
131.08549	8.4
133.10164	5.1
135.04407	8.6
135.11679	17.4
137.13264	14.0
138.36273	3.7
145.10039	5.3
147.11639	4.3
149.09624	3.9
151.14810	4.3
153.12747	6.8
161.09590	5.7
161.94963	3.5
169.12244	21.1
177.12741	5.3
181.04948	6.9
181.12248	9.6
181.15840	4.2
195.03281	3.4
195.13770	6.7
209.11731	12.9
209.15314	5.1
215.97346	4.6
237.11340	7.0
243.21080	3.6
251.23776	14.2
255.12202	5.5
261.22168	14.6
279.23218	100.0
280.23514	7.3
311.25699	7.0
312.36185	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	311.2583
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
55.01875	52.5
55.05512	30.7
57.03436	4.2
57.07084	9.9
59.05007	3.3
62.96455	1.7
65.03963	1.6
67.05508	45.6
67.26212	1.4
68.35848	1.4
69.07071	79.0
70.07419	1.8
71.04993	5.8
71.08624	3.7
79.05491	26.4
81.07059	47.6
83.04993	14.3
83.08620	33.2
85.06530	2.4
85.10184	2.2
91.05486	7.4
93.07044	42.7
93.07603	2.6
95.04959	3.0
95.08610	41.9
95.56079	1.9
97.06538	13.3
97.10161	8.4
98.82340	1.5
99.08134	2.8
105.07033	6.6
107.08593	26.1
109.06550	3.1
109.10162	28.5
111.04467	1.8
111.08083	4.6
111.11681	2.3
113.09649	3.2
117.07014	2.3
119.08595	4.4
121.10141	22.9
123.08091	2.0
123.11713	9.5
125.09645	4.7
125.13286	1.5
131.08572	6.7
133.10130	5.0
135.04439	2.3
135.08072	5.2
135.11699	27.1
137.09647	5.9
137.13290	7.6
145.10133	5.2
147.11694	4.0
149.09651	7.1
149.13245	9.3
151.11176	3.0
151.14848	4.2
153.09134	4.5
153.12744	57.2
159.11667	3.6
161.13316	1.8
163.11226	5.1
163.14838	3.6
165.12801	2.5
165.16383	1.9
167.10716	4.9
173.11879	1.7
173.13272	3.9
177.12785	1.9
177.16403	3.1
179.14343	1.7
181.12221	4.9
181.15938	3.4
183.73186	1.8
185.30838	1.6
187.14882	1.9
195.13919	2.4
203.12836	2.1
209.11823	4.2
209.15215	1.5
219.21059	3.0
233.22609	15.3
237.11235	6.7
237.18553	1.8
243.21114	12.0
251.23701	6.8
255.12363	1.9
261.22113	28.2
279.23187	100.0
280.23611	4.9
311.25763	6.5
312.36407	2.3
328.88284	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2582
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03932	0.9
55.01884	1.0
55.05512	33.5
57.03440	18.8
57.07076	12.3
59.04995	0.4
62.06094	0.9
67.05505	24.0
68.10360	0.5
69.07068	42.1
69.63850	1.5
70.07391	1.1
71.04990	1.8
71.08627	6.6
72.78194	0.5
73.06570	0.5
79.05495	10.0
81.07056	25.9
82.07381	0.6
83.04970	1.3
83.08622	27.0
85.06539	1.4
85.10195	2.2
85.24155	0.4
91.05499	2.2
91.82065	0.5
93.07044	13.3
95.04966	1.3
95.08605	20.1
95.09218	1.0
97.06540	3.7
97.10174	13.9
99.08098	1.6
105.07024	0.8
107.08598	8.6
108.08933	0.5
109.10152	8.1
111.04383	0.4
111.08067	2.5
111.11718	3.3
113.09638	0.6
121.10145	13.7
122.10491	0.8
123.11696	4.4
125.09612	2.2
127.11128	0.6
131.50832	0.4
133.10184	0.5
135.11697	9.7
137.09607	0.8
137.13234	3.1
139.11182	1.5
149.09711	0.5
149.13242	4.0
150.13623	0.5
153.05447	0.6
153.12735	1.3
163.14825	1.9
164.53859	0.4
173.11787	0.4
177.16406	1.4
181.04933	0.6
209.11761	3.5
219.21008	3.0
237.11194	3.0
237.22182	4.8
255.12184	0.8
293.21060	1.0
311.25784	100.0
312.26208	5.8
312.32535	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	312.0868
Annotation	Furoparadine
Peak:m/z	Relative Intensity
51.69010	0.2
67.35237	0.2
81.07047	0.3
83.51992	0.2
85.02871	0.4
91.05516	0.3
96.51794	0.2
98.97567	0.3
105.07066	0.2
107.04917	0.3
123.04453	1.2
133.02849	0.2
135.04468	0.2
137.06021	0.3
140.26488	0.2
145.02693	0.2
147.04405	0.3
150.05452	0.3
167.07156	0.2
178.08624	0.4
181.04996	0.3
185.04726	0.3
189.03880	0.2
190.04788	3.6
196.07515	0.3
198.05525	0.6
212.06963	0.6
213.07832	1.7
214.04982	0.8
215.05630	0.2
216.06610	0.2
217.04568	0.2
220.07553	1.3
224.07066	0.8
226.02794	0.4
226.04968	2.1
228.06505	0.4
238.05086	0.4
238.08670	0.8
240.06598	1.8
241.07335	9.8
242.08093	4.7
243.08353	0.3
248.07054	2.5
251.05769	0.5
252.06538	1.6
253.06898	0.3
256.09689	0.7
266.08133	4.3
267.08469	0.2
268.06097	0.6
269.06778	0.4
270.07635	0.8
276.06656	1.3
277.07175	0.2
279.05286	0.5
280.05988	0.4
283.04822	0.5
284.09152	1.4
294.07602	4.6
295.07935	0.4
296.05545	4.6
297.06293	5.3
298.06543	0.2
310.06934	0.2
312.08636	100.0
313.08902	5.5
313.11948	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	312.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15643	0.6
55.05507	1.2
59.92063	0.7
66.57000	0.6
67.01493	0.7
69.03402	0.9
69.07054	0.8
69.38980	3.1
70.06609	0.6
71.66487	0.7
72.08141	0.6
79.05512	0.7
82.06554	0.7
82.13996	0.8
85.02914	3.3
91.05492	1.6
93.62110	0.7
97.02901	1.4
97.10176	0.7
97.38876	0.7
98.23419	1.5
98.97596	1.3
105.07013	1.0
109.02895	1.4
116.07106	0.8
116.98608	0.9
120.08112	3.1
121.02889	0.9
123.08077	3.2
127.03883	0.7
130.06554	1.1
135.08058	9.3
142.07768	0.9
143.08626	0.9
145.04913	1.1
149.02367	1.1
151.07512	1.4
157.10118	1.2
158.06047	0.8
159.06349	1.5
159.11653	1.2
165.01782	0.9
167.03362	1.8
172.08846	1.1
173.09666	2.1
179.07045	2.1
185.04236	0.9
185.09602	2.7
187.11113	1.0
191.07213	0.9
195.02902	1.8
207.09145	0.8
213.09090	6.0
215.10670	3.8
219.06813	0.9
220.07570	1.6
225.10144	0.9
226.08638	1.4
227.09248	0.7
231.10167	7.6
233.11581	1.4
236.07104	2.2
237.07985	1.3
238.07513	2.3
239.07953	1.3
252.06679	0.9
253.09724	79.5
254.07626	0.8
254.10223	5.7
259.09677	1.6
264.08838	0.9
265.07333	1.5
265.09824	0.9
266.06876	1.1
267.07715	11.2
270.05215	0.8
277.10703	2.4
281.09174	15.0
282.09991	100.0
283.06097	2.1
283.10254	5.1
284.06931	3.5
295.06073	1.9
298.04559	0.7
312.09738	14.4
312.15500	1.7
313.07065	35.3
313.12576	2.2
313.15909	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31601	1.2
55.05513	44.9
59.04972	1.4
61.02924	11.4
61.96166	1.1
69.03417	4.0
69.07056	3.6
69.32217	1.7
69.32555	5.7
73.02921	1.5
73.06548	5.1
73.09650	1.1
77.61588	1.2
80.19831	1.0
84.08136	2.1
85.02909	10.5
87.08108	4.4
89.68632	1.2
91.07592	1.7
95.05002	1.3
97.02892	4.0
98.97596	1.8
115.07575	100.0
116.07925	2.4
116.98574	1.5
117.09141	2.4
123.04504	1.0
124.22779	1.0
127.03916	2.2
133.08607	38.2
134.08911	1.3
137.06021	1.9
145.02849	2.6
145.04977	3.7
146.03162	3.1
147.04419	1.2
177.05495	5.1
178.05807	6.6
181.05022	2.6
236.12790	1.4
284.09097	3.5
294.15134	2.4
297.16577	1.2
312.08606	12.0
312.16202	5.2
313.12418	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	312.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
53.97669	0.8
55.05512	50.2
57.03406	0.7
61.02632	1.3
61.02924	13.4
61.67863	1.0
64.23408	0.7
69.03419	2.4
69.07066	1.5
70.57648	1.7
73.06542	2.1
84.08141	1.1
85.02903	10.5
87.08108	1.6
91.07597	2.0
97.02872	2.6
98.97581	1.2
109.02904	0.8
115.07568	100.0
116.07907	1.7
132.08078	1.4
133.08604	35.6
134.08894	0.8
145.04977	2.0
177.05518	0.9
178.05840	1.7
181.04984	1.1
182.53331	0.7
284.09204	1.0
312.08533	1.1
312.17911	1.4
313.11948	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	312.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11406	0.6
55.05497	0.7
57.07060	0.8
66.61019	0.6
67.05481	0.8
69.73083	1.5
69.73402	0.7
81.07072	1.2
94.04193	0.7
94.94244	0.7
95.08633	0.9
97.10156	0.9
98.97574	1.1
105.07040	0.7
105.15348	0.7
109.10137	0.7
111.04430	0.7
112.94012	0.6
122.03650	3.3
125.09672	0.7
128.04466	2.5
137.05972	54.5
138.06303	2.0
143.06789	17.0
144.06242	1.2
146.05493	1.4
161.07881	5.2
174.07468	0.6
176.16257	1.0
181.04958	1.1
184.09552	0.6
187.08060	0.6
189.11324	0.7
209.11743	1.7
210.12086	4.1
238.11575	1.8
256.12656	1.1
277.21606	0.8
312.15518	2.7
312.21445	100.0
313.21713	6.9
327.53329	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0699
Annotation	Prosogerin A
Peak:m/z	Relative Intensity
53.03942	0.2
55.01871	0.1
57.03421	0.2
65.03599	0.1
65.03933	0.7
67.01848	0.2
68.99783	0.5
70.38188	0.1
77.03954	0.1
81.03410	1.2
81.03886	0.1
83.01329	0.1
83.04965	0.1
85.02900	0.9
91.05473	0.2
93.03397	0.6
93.07067	0.0
95.04958	0.2
97.02873	0.1
98.97581	0.1
99.04456	0.1
103.05423	0.1
105.03393	0.2
107.01323	0.1
109.02872	1.1
111.00784	0.1
111.04436	0.1
118.04164	0.1
119.04939	1.7
120.08091	1.3
121.02858	5.7
122.03183	0.1
123.00761	0.1
123.04401	0.1
124.01563	0.1
125.02350	0.2
127.03899	0.1
133.02835	0.4
135.00760	0.1
135.04373	0.1
138.02173	0.0
138.03113	0.7
139.03889	0.1
141.01814	0.1
141.06966	0.0
145.02834	2.0
145.35773	0.0
147.04401	0.2
149.02327	4.0
150.02747	0.1
151.03876	0.1
152.01019	0.1
153.01831	0.5
153.06992	0.1
157.06421	0.1
163.03899	0.7
165.01805	0.9
165.03127	0.1
165.07030	0.3
166.02591	0.6
166.08705	0.1
167.03389	5.3
168.03737	0.1
169.06461	0.1
170.02138	0.1
171.02802	0.1
173.02303	0.0
173.05905	0.1
175.03951	0.1
177.01823	2.7
181.06410	0.1
183.02861	0.2
183.08035	0.3
184.03661	0.2
187.03879	0.2
193.06351	0.1
195.02879	3.7
196.03310	0.1
197.06010	0.2
199.07559	0.1
202.06255	0.2
203.06970	0.1
210.06793	0.1
211.07457	0.5
213.03806	0.1
213.05536	0.2
214.06030	0.1
215.07021	0.3
221.05862	0.1
223.07680	0.1
225.05336	0.1
227.07034	0.4
228.07813	0.2
229.04938	1.8
230.05199	0.1
238.06215	0.1
239.07010	1.8
240.07526	0.1
241.04791	0.1
241.08655	0.1
242.05731	0.9
242.08203	0.0
243.06348	0.1
247.06091	0.3
249.05646	0.1
253.04880	0.1
255.06502	1.4
256.07275	1.8
257.07806	0.2
266.05658	0.2
267.06503	12.2
268.06906	0.7
269.04440	0.6
269.08069	0.2
270.05209	4.0
271.05676	0.3
283.05981	9.6
284.06760	14.7
285.07370	1.8
286.07935	0.1
295.05988	8.1
296.06244	0.5
313.07019	100.0
314.07373	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	313.0696
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.31310	0.4
50.76783	0.3
55.08431	0.3
59.55171	0.3
61.01140	0.6
65.03945	0.4
67.05492	0.4
70.06612	0.4
72.04545	0.4
72.08153	0.5
78.03783	1.1
81.03410	0.5
85.02889	0.7
86.09719	0.5
86.32625	0.3
87.26405	0.4
91.05481	0.5
93.03407	0.4
93.07060	0.5
94.85116	0.3
95.04970	0.8
98.97592	1.2
100.11237	0.6
102.03745	1.3
105.03371	0.6
107.04996	0.4
109.02879	0.7
116.98615	0.8
119.04919	1.4
120.59499	0.3
121.02859	4.8
123.04423	4.0
129.10242	0.4
131.06380	1.0
132.04718	0.5
133.02823	0.5
134.99670	0.6
138.03145	0.5
141.73045	0.4
145.02876	2.3
149.02318	3.1
149.07436	6.3
150.05467	0.5
163.03911	0.5
165.01883	0.6
165.05443	0.8
165.75385	0.4
167.03406	4.9
177.01848	1.7
187.03934	0.4
195.02898	3.3
208.63783	0.3
211.07509	0.4
215.97232	0.3
229.04916	1.7
239.07159	1.7
242.05757	0.7
255.06319	0.9
256.07281	1.4
257.69196	0.3
266.05673	0.4
267.06540	11.1
268.06696	0.6
269.08896	1.0
270.05215	4.2
283.06012	7.9
284.06778	14.6
285.07410	1.3
290.94699	1.4
291.90280	0.3
295.05994	7.6
296.06351	0.4
313.07056	100.0
314.07407	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	313.1183
Annotation	Dictyoquinazol A
Peak:m/z	Relative Intensity
70.04677	0.4
71.16491	0.1
73.39838	0.1
75.18319	0.2
79.05497	0.2
81.07054	0.2
85.02890	0.2
89.03902	0.2
91.05471	0.2
97.02885	0.4
98.97562	0.5
106.06539	0.4
107.04967	0.3
109.02894	0.1
116.04954	0.3
116.98665	0.2
118.06543	0.3
119.04916	0.2
123.04435	0.4
125.05969	0.4
131.04918	0.2
132.04462	0.7
134.06001	1.0
135.04408	1.3
136.06174	0.4
137.05984	0.8
138.05469	0.3
146.06032	0.3
147.04413	1.3
148.03915	0.4
148.05109	0.3
149.04694	0.5
150.05516	1.0
151.06305	0.7
152.07072	0.7
160.03940	0.1
162.05515	2.1
163.03841	0.2
164.07047	1.0
165.06554	0.2
176.07054	0.2
179.08136	0.8
180.07281	0.1
181.04990	0.1
183.26820	0.1
185.47215	0.1
220.07750	0.2
237.43552	0.1
238.08620	1.7
240.10136	0.2
250.08612	0.9
251.70201	0.1
254.08109	0.2
257.12756	0.2
266.08063	2.3
267.08652	0.3
267.11258	0.2
268.06323	0.1
268.09641	0.5
268.31326	0.2
270.07697	0.2
278.08224	0.9
281.06769	1.5
281.09442	0.2
282.07578	3.0
282.10519	0.2
283.07370	0.7
284.09210	2.6
285.09268	0.2
285.12341	0.4
290.94876	0.2
294.07489	0.9
295.08200	0.2
296.09149	5.8
297.08896	0.9
298.09393	0.7
311.10031	0.2
313.11801	100.0
314.12128	6.0
336.07730	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	313.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42172	0.8
56.96550	1.5
57.38855	0.9
63.85610	0.8
65.82887	0.7
70.56660	1.2
78.15269	0.8
87.84518	0.9
91.05491	0.9
98.97583	5.7
109.10228	1.0
116.98615	4.7
134.99626	1.8
137.19246	0.8
177.05528	1.1
191.07062	1.4
242.19498	0.8
290.94696	6.2
313.16196	100.0
313.96591	1.0
314.16840	4.4
330.57556	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1776
Annotation	Tofacitinib
Peak:m/z	Relative Intensity
56.96563	2.6
57.07066	2.2
69.07072	3.3
70.21606	3.4
79.05498	2.1
81.07046	3.0
83.01096	3.8
91.05512	2.5
95.08633	2.9
98.22779	1.9
98.97568	10.8
116.98645	7.4
117.20118	1.5
118.56773	1.6
129.84828	1.5
151.07758	1.5
151.11296	2.5
252.14920	6.1
255.13536	30.3
256.14072	2.8
270.15927	15.5
287.80399	1.5
290.94827	5.0
295.15366	6.7
313.11969	3.3
313.17804	100.0
314.13092	3.3
314.18179	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	313.2011
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
53.56269	1.7
55.01875	3.5
55.05521	3.5
56.96557	4.7
67.05503	9.0
69.07070	5.9
71.46896	1.8
79.05491	3.3
80.94877	2.2
81.07066	28.6
83.04993	3.8
91.05486	3.2
93.07050	5.9
94.24844	1.8
95.08614	6.6
98.97578	21.4
105.07050	3.5
107.08595	4.1
109.06473	10.1
109.10174	6.8
111.04444	13.3
116.98601	16.1
119.08575	3.9
121.06496	4.0
121.10175	2.5
125.06004	3.9
131.08499	1.9
133.10103	4.3
134.99669	6.8
135.08060	2.0
135.11665	2.1
137.05981	100.0
144.06339	11.8
145.06665	2.2
145.10075	2.1
147.06664	2.4
147.11707	3.7
149.09587	3.3
151.07581	3.2
157.10101	2.4
158.01169	2.7
159.11768	2.2
161.09662	3.8
161.13318	2.5
165.08983	2.4
166.69237	2.1
173.11800	2.5
175.11197	4.8
182.91037	2.3
193.96524	1.9
201.53328	2.0
203.17902	2.8
213.16310	2.3
231.17480	7.8
249.18495	10.2
268.22137	2.9
269.22665	3.4
272.93866	3.7
277.17999	74.2
278.18298	3.9
290.94797	17.8
295.19128	11.2
308.95798	2.6
313.25369	6.5
333.72519	2.0
337.19635	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	313.2162
Annotation	Pregna-4,11-diene-3,20-dione
Peak:m/z	Relative Intensity
52.75879	0.8
54.81276	0.9
55.01871	2.8
55.05505	4.2
55.98376	0.8
59.04997	1.5
65.03931	1.3
67.05495	6.4
69.07063	3.5
69.11473	6.2
71.04980	3.1
79.05489	6.6
80.14909	0.9
81.07053	14.6
83.04948	2.4
83.08604	1.9
85.06543	14.2
91.05469	8.2
93.07042	16.0
95.04958	1.5
95.08608	21.8
97.06516	6.4
98.22691	2.1
98.97584	3.3
99.08101	4.2
103.05460	1.6
105.07026	14.3
107.04950	3.1
107.08593	15.3
109.06509	3.9
109.07147	0.9
109.10154	8.1
110.22428	0.9
111.07318	2.1
111.08083	38.6
112.08430	1.5
115.05421	1.4
116.98571	1.2
117.07008	6.8
117.37336	0.8
119.04879	0.8
119.08577	15.5
120.08118	2.4
120.12367	0.8
121.02897	1.4
121.06513	2.5
121.10143	7.5
123.08090	4.5
123.11727	1.7
128.06189	1.4
129.06985	5.0
131.08566	12.5
133.06505	2.5
133.10124	9.1
134.99702	1.0
135.08046	3.3
135.11653	4.9
137.09608	3.9
139.11177	1.0
141.06955	2.4
142.07791	3.0
143.08568	14.7
145.06407	1.1
145.10123	18.5
147.08041	3.3
147.11693	10.0
149.02296	1.0
149.09605	6.7
149.13243	2.1
150.96461	0.8
151.11169	4.7
155.08572	8.4
156.09340	1.3
157.10127	18.4
158.10606	0.9
159.07996	2.1
159.11711	12.2
161.09633	8.9
161.13274	2.5
162.10277	1.2
163.11172	4.8
165.06973	0.9
167.08556	2.5
168.09311	1.3
169.10114	9.6
170.10664	0.9
171.08049	1.9
171.11678	13.9
172.12042	1.1
173.09634	14.4
173.13225	5.0
175.11179	10.2
175.14919	1.3
177.12727	2.4
180.09268	1.5
181.10092	4.7
182.10860	1.6
183.11673	10.8
185.09619	1.1
185.13269	5.7
187.11198	3.7
187.14825	1.0
189.12726	3.3
191.14291	1.1
193.10097	2.2
194.10907	1.2
195.11688	6.7
197.13263	9.1
199.11186	8.5
199.14838	3.8
201.12746	2.8
203.14325	1.6
207.11694	4.5
208.12463	1.1
209.13252	7.3
210.13963	1.5
211.11208	2.7
211.14778	10.1
212.15460	2.4
213.12801	3.9
213.16376	6.3
215.14258	1.8
221.13213	3.6
222.13979	2.5
223.14807	2.2
225.12744	7.9
225.16371	2.0
227.14415	1.4
229.15939	2.0
235.14838	3.2
237.16348	16.7
238.16794	2.1
239.01680	0.9
239.14323	5.5
239.17838	1.1
241.15910	2.4
241.37924	0.9
243.17455	1.9
249.16371	1.7
251.17940	3.9
252.18634	1.0
253.15863	4.2
253.19492	12.0
254.09938	1.1
255.17418	20.2
256.17786	1.2
267.06598	2.5
267.17395	3.2
267.21057	1.1
269.18979	7.8
270.05106	1.4
270.19556	1.1
271.20578	13.5
272.20749	0.9
277.19501	8.1
282.09616	1.5
283.05914	1.5
283.10306	3.2
284.06738	3.2
285.22134	3.5
290.94724	2.5
295.06042	1.5
295.20566	59.5
296.20901	4.0
313.07080	21.7
313.10165	1.3
313.12634	2.2
313.21600	100.0
314.07498	1.5
314.21951	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	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03946	3.0
55.01879	27.9
55.05258	2.2
55.05515	39.9
57.03437	6.2
57.07071	4.6
59.04998	3.6
59.21373	1.3
59.55647	1.3
60.04506	1.4
64.46321	1.3
65.03913	1.5
67.05509	85.5
68.05036	3.5
68.05821	1.4
69.03428	4.4
69.07069	31.0
69.79965	4.9
70.06603	3.4
71.05003	6.0
71.08640	6.3
71.08994	1.2
79.05497	28.2
80.05012	5.2
81.03421	5.3
81.07062	51.0
82.06606	1.7
83.04983	12.1
83.08626	23.0
85.06536	3.4
91.05488	18.4
93.07051	38.6
94.06570	4.9
94.07365	1.7
95.04993	7.8
95.07356	4.7
95.08607	35.8
96.08147	3.5
97.06526	10.2
97.10172	18.7
98.23386	2.3
98.97594	4.3
99.08099	7.1
105.07038	11.7
106.06609	7.4
106.38179	1.4
107.08601	20.7
108.08136	4.6
109.06539	5.2
109.10164	46.2
111.08089	7.2
113.09657	1.7
116.98653	2.4
117.07001	6.1
118.06549	3.0
119.08606	15.5
120.08105	4.0
121.10137	15.0
122.06037	24.5
122.06865	2.5
123.08073	10.1
123.11700	7.4
125.09634	15.9
129.07001	2.7
131.08569	5.0
133.10126	11.2
134.09616	2.1
135.08090	2.0
135.11699	14.4
136.07571	2.4
137.09608	11.6
139.11189	20.1
145.10167	1.7
147.11702	9.3
149.09619	2.9
149.13239	10.6
151.07581	1.9
151.11205	8.3
153.09088	2.3
153.12711	2.7
155.10675	7.7
157.10127	1.8
159.11696	4.0
161.13231	6.0
163.11218	2.8
163.17995	1.5
165.12767	5.8
167.10609	1.8
167.14342	2.2
169.12125	1.5
171.10193	2.1
171.11725	2.8
173.11749	35.2
173.13191	2.8
175.14830	3.0
177.12776	2.5
179.14299	3.9
181.12244	2.9
185.13257	2.4
187.30724	1.3
189.11218	9.9
193.12282	2.9
195.13808	9.6
199.14818	1.9
204.17482	2.9
221.15240	1.8
231.21083	5.7
232.16995	14.8
241.19528	4.6
249.22205	11.1
250.18008	3.4
253.08327	3.9
259.20630	7.9
260.16415	2.7
268.14716	6.2
277.21634	54.4
278.22012	3.2
290.94672	2.0
295.22672	36.3
296.10980	2.8
296.14136	34.7
313.16098	1.9
313.25433	13.0
314.15170	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2376
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
52.77755	1.2
55.01874	65.6
55.05517	31.2
57.03453	1.9
57.07076	1.6
64.83327	1.2
67.05509	12.2
69.03431	1.7
69.07072	8.2
71.04995	23.2
71.05356	2.0
71.08635	1.8
79.05495	6.5
81.07062	13.6
83.04998	4.2
83.08629	6.3
91.05477	7.0
93.07043	5.7
95.08596	7.1
97.06562	1.2
97.10175	12.2
98.97593	4.4
105.07060	3.5
107.08584	5.6
109.10163	10.0
111.08048	1.6
116.98631	2.7
119.08627	7.0
121.10168	1.4
125.09637	100.0
126.09966	2.8
133.10176	3.9
134.99727	1.4
135.11708	3.8
137.09653	4.1
141.12764	10.5
143.10602	1.3
147.11646	1.4
151.11197	3.2
152.91112	1.3
153.12828	2.1
155.10678	1.8
161.13364	1.1
167.10672	6.7
173.11746	8.8
179.10638	1.7
179.14384	1.5
223.11128	1.2
236.30017	1.3
241.19591	1.7
259.20645	3.2
277.21628	46.3
290.94818	2.2
295.22659	8.3
298.10815	1.4
313.17767	3.0
313.21091	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2375
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.02829	1.9
55.01875	7.2
55.05516	18.1
57.03440	9.2
57.07089	9.8
67.05512	41.6
69.03439	2.3
69.07073	14.6
70.06605	4.5
71.04996	13.3
71.08633	57.7
72.08160	2.2
79.05495	21.1
81.07061	30.3
83.04985	12.5
83.08614	10.7
84.08925	1.9
85.06552	6.2
91.05490	11.6
91.15385	1.8
93.07047	28.5
95.04990	5.1
95.08607	28.5
97.06544	11.5
97.10176	9.4
98.97590	7.2
99.08101	52.4
105.07048	6.2
107.05024	2.7
107.08601	16.8
109.10149	15.3
111.08089	4.6
117.07034	2.6
119.08580	11.8
121.10143	12.7
123.11706	5.8
125.05913	1.9
125.09660	4.2
127.11206	10.0
131.08505	1.9
133.10133	9.3
135.11674	14.2
141.12746	51.2
142.13046	2.2
145.10162	8.9
147.11693	3.6
149.13245	5.2
151.11163	14.5
153.12787	5.3
157.10101	2.5
161.13289	13.7
163.11192	17.2
163.15007	2.4
164.11488	2.6
165.12802	6.0
169.12238	25.7
175.14825	3.0
179.14372	10.6
181.12129	2.3
181.24564	1.9
185.13280	2.2
189.11349	2.5
231.21123	3.9
241.19514	2.4
259.20627	7.0
277.21643	57.8
278.22009	4.1
290.94803	2.5
295.22684	100.0
296.22964	3.7
313.23788	8.4
313.27237	2.3
314.13785	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	313.2374
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03935	2.5
55.01869	2.7
55.05515	11.1
56.96566	1.6
57.03465	1.7
57.07069	3.4
60.04517	8.3
60.49634	1.6
65.03941	1.7
67.05511	18.7
69.07066	12.9
69.79896	5.6
70.06582	1.9
71.04993	3.8
71.08639	15.1
76.16838	1.4
79.05480	13.6
81.03415	8.4
81.07055	16.5
83.04975	4.3
83.08624	3.3
85.06532	2.9
88.25430	1.8
88.50000	1.3
91.05479	6.1
93.07036	18.1
95.04962	12.2
95.08604	18.1
97.06519	5.0
97.10176	2.7
98.22741	2.8
98.97578	12.3
99.08096	8.6
105.07052	4.3
107.08553	7.2
109.06510	3.3
109.10143	9.8
116.98627	9.5
117.06951	1.9
119.08576	6.5
121.10139	9.9
123.08048	1.8
127.11195	2.5
129.07028	1.8
131.08565	2.0
133.10115	2.9
134.99669	4.4
135.11670	2.4
137.09621	6.0
139.11186	2.7
143.08548	2.1
145.10089	2.8
147.11755	2.2
149.02403	1.4
151.11174	11.1
157.74142	1.6
161.13287	2.1
163.11295	1.5
173.16737	1.5
179.14279	3.0
277.21613	34.8
277.24512	2.6
278.21918	3.0
290.94733	4.8
295.22668	100.0
296.22968	5.3
299.11539	1.8
314.30536	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	313.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52293	0.1
55.05510	4.3
56.24385	0.1
57.03437	7.5
57.07075	37.5
58.07412	0.4
59.05006	0.2
67.05503	7.0
69.07066	5.6
69.43176	0.3
70.07395	0.1
71.05010	0.2
71.08629	24.4
72.08971	0.5
73.06554	0.2
75.04489	0.3
79.05492	0.5
79.82494	0.1
81.07056	8.6
82.07394	0.3
83.04955	0.1
83.08618	5.8
84.08936	0.1
85.06538	0.4
85.10179	12.4
86.10504	0.2
89.06027	1.1
91.05479	0.1
93.07054	0.5
95.08603	11.8
96.08966	0.3
97.06528	0.2
97.10165	2.9
98.97571	0.2
99.08105	0.2
99.11724	0.5
101.05968	0.1
103.07583	0.9
107.08604	0.3
109.10155	5.1
111.08102	0.1
111.11735	0.8
113.13292	0.3
116.98613	0.1
117.09113	0.3
121.10146	0.3
123.11700	1.7
123.12524	0.2
125.13287	0.2
135.11707	0.3
137.13261	0.8
139.11189	0.1
141.09842	0.1
149.13263	0.2
151.14839	0.3
163.14757	0.1
165.16441	0.2
173.15414	0.1
221.22626	0.2
239.23662	1.6
257.24728	1.1
259.56470	0.1
265.07498	0.1
295.52356	0.1
298.27249	0.2
313.27344	100.0
314.27695	6.6
314.33499	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.2
57.03444	19.1
57.07080	56.8
58.07407	0.9
67.05508	9.9
69.07075	9.6
69.35361	1.6
69.82089	0.4
71.05019	0.5
71.08635	34.2
79.05514	1.1
81.07061	13.5
83.04990	0.6
83.08622	9.4
83.09100	0.7
85.06544	1.1
85.10185	17.5
89.06049	2.4
93.07050	1.5
95.08612	19.5
97.10182	4.8
99.08118	0.6
99.11746	1.5
101.05999	0.4
103.07581	2.1
106.33791	0.4
107.08644	0.4
109.10164	8.1
111.11710	1.9
117.09130	0.6
121.10184	0.5
123.11713	3.9
137.13275	1.4
145.12305	0.4
148.06740	0.4
151.14853	0.9
179.41014	0.4
239.23695	4.3
257.24808	5.5
272.65091	0.4
298.27234	0.5
313.27380	100.0
314.27716	7.9
314.33734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	7.1
57.03436	15.8
57.07077	50.6
67.05510	10.2
68.12364	1.2
69.07064	9.1
71.08630	33.5
71.46347	1.2
75.04491	1.7
79.05471	1.5
81.07056	13.1
83.08610	9.4
85.06538	1.1
85.10183	15.2
89.06026	3.4
93.07008	2.6
95.08602	17.8
97.06571	1.4
97.10151	5.7
98.97578	1.9
102.20362	1.2
103.07572	1.8
105.07020	1.7
105.42670	1.0
109.10175	9.8
111.37748	1.1
113.13230	1.3
123.11738	3.4
141.19080	1.0
165.16505	1.4
222.98839	1.3
239.23636	2.5
257.24817	5.0
298.10870	1.5
313.07944	1.5
313.11353	1.6
313.21442	3.2
313.27380	100.0
313.36447	7.0
314.13828	2.6
314.27621	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	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25962	0.2
55.05516	3.9
56.62730	0.3
57.03442	7.5
57.07078	36.2
57.63389	0.2
58.07411	0.5
58.67501	0.2
67.05508	6.5
69.07066	4.9
71.04970	0.3
71.08634	22.3
72.09002	0.3
73.06583	0.3
74.32605	0.3
79.05480	0.7
81.07058	8.0
83.08621	6.0
84.08955	0.3
85.06554	0.4
85.10184	11.1
86.10616	0.2
89.06027	1.3
93.07050	0.8
93.64057	0.3
95.08609	11.8
95.09219	0.6
96.09031	0.4
97.06558	0.4
97.10172	2.8
99.11740	0.5
103.07597	0.7
109.10152	5.0
111.11713	0.6
117.09160	0.3
121.10041	0.4
123.11713	1.8
137.13269	0.6
150.05580	0.3
179.18095	0.3
239.23691	1.3
257.24792	1.4
298.10764	0.3
313.27368	100.0
314.13666	0.4
314.27716	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	313.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51740	0.4
55.05517	7.9
57.03444	21.6
57.07081	58.0
58.07394	1.1
65.03931	0.5
67.05508	10.5
69.07070	8.8
69.27838	2.8
71.08636	35.0
79.05511	1.1
81.07062	13.3
83.04959	0.5
83.08622	10.7
85.06543	0.7
85.10190	18.4
89.06046	2.9
95.08614	21.0
95.09222	1.1
97.06541	0.7
97.10183	5.7
99.11752	1.0
103.07590	2.5
109.10161	9.4
111.11717	1.2
117.09171	0.9
123.11723	3.7
125.13332	0.8
137.13240	1.8
151.14864	0.8
165.16493	0.6
170.00699	0.5
182.25609	0.5
192.94922	0.5
239.23698	4.7
257.24814	5.6
296.75186	0.5
313.27383	100.0
314.27768	6.7
338.88391	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	0.5
55.05512	5.9
57.03439	16.4
57.07077	46.7
58.07396	0.8
59.44031	0.4
62.24724	0.4
67.05504	7.9
69.07066	7.6
71.08632	30.9
72.08954	0.6
75.04507	0.4
79.05475	0.6
81.07054	10.6
81.07502	0.9
83.08122	0.5
83.08624	9.8
84.08964	0.4
85.06536	0.6
85.10181	15.4
86.10551	0.5
88.40305	0.4
89.06028	2.8
93.07053	0.7
95.08019	0.9
95.08608	17.5
97.06522	0.7
97.10163	5.0
98.97569	0.6
99.11729	1.5
103.07563	1.7
107.08572	0.5
109.10166	8.1
111.11725	1.2
113.13287	0.5
117.60530	0.4
120.60223	0.4
121.10149	0.7
123.11696	3.1
125.13301	1.1
131.10727	0.5
135.11751	0.5
135.18427	0.5
137.13287	1.1
139.11140	0.6
163.36960	0.5
190.03693	0.4
221.22672	0.7
239.23697	3.2
257.24750	5.2
298.27316	0.5
303.41318	0.6
313.27368	100.0
313.36722	1.6
314.13770	0.8
314.27695	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67966	0.6
55.05512	7.9
57.03439	18.4
57.07078	55.8
58.07398	0.6
66.04769	0.5
67.05506	10.6
67.61161	0.6
69.07072	9.1
69.26830	2.7
71.08633	33.1
79.05479	1.1
81.07058	14.7
83.08623	11.9
83.75222	0.5
85.06554	0.6
85.10181	18.0
89.06046	2.6
93.07043	1.4
95.08022	1.0
95.08611	19.0
96.08933	0.8
97.06551	0.6
97.10157	5.6
99.11726	1.2
103.07580	2.2
109.10159	8.3
111.11742	1.6
116.98569	0.5
123.11708	3.9
125.13303	0.7
137.13287	1.8
219.44212	0.5
239.23701	3.7
257.24710	5.5
298.27634	0.7
313.27368	100.0
313.36432	2.9
314.27734	6.6
314.33817	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28255	0.3
56.96569	3.8
57.03434	1.1
61.01152	0.9
62.67795	0.4
69.03430	2.0
69.52962	1.1
69.96178	0.4
70.06583	0.5
71.04982	0.6
73.01172	0.3
79.66321	0.3
81.07043	0.5
85.02912	1.5
86.99059	0.4
89.06033	3.9
91.05464	0.6
93.07046	0.5
97.02892	40.8
98.03251	0.8
98.23443	0.7
98.97585	10.2
99.08093	0.4
108.08132	1.8
114.56430	0.4
116.07125	0.4
116.97870	0.7
116.98623	7.0
117.05485	3.2
119.01858	0.6
119.03556	0.7
119.04942	0.8
121.06497	2.6
122.06066	0.7
131.01860	0.4
134.09641	1.1
134.99667	3.5
135.06511	3.4
135.10164	0.4
136.06183	100.0
137.04689	0.5
137.05649	0.4
137.06520	1.1
138.09151	0.6
140.98601	0.6
143.01608	2.1
147.04372	3.6
148.06183	0.7
149.97316	0.5
150.05510	4.8
152.07059	1.3
152.10709	1.4
156.96472	0.4
158.99730	0.7
161.02704	1.2
162.07736	0.5
164.05670	4.8
172.94356	1.7
174.97658	1.4
176.05606	0.4
177.00844	0.9
177.02295	0.3
178.07246	2.3
179.03696	2.2
186.99156	1.0
190.95340	1.3
192.98738	0.7
201.00856	0.3
203.02522	0.8
205.00267	0.7
208.96286	0.6
219.00221	0.6
219.02042	1.9
220.02179	0.6
220.08360	0.6
230.98068	0.9
232.96237	1.0
248.07716	0.8
248.99150	2.2
250.09438	0.5
258.99850	0.8
267.00226	0.5
272.93344	0.7
272.95935	1.2
277.00836	1.1
278.07333	0.4
290.00296	0.6
290.94370	5.1
290.97141	1.6
291.97739	0.5
296.08105	4.7
308.95880	1.1
314.09122	10.1
314.12338	1.5
314.15848	0.7
315.09995	0.4
332.10379	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0937
Annotation	Neoamphimedine
Peak:m/z	Relative Intensity
52.88820	0.3
56.96553	1.0
70.06610	0.4
70.13200	0.5
85.02882	0.4
86.09703	1.2
89.06020	0.7
89.48785	0.2
97.02885	0.3
98.22762	0.3
98.97585	3.4
101.00838	0.3
108.08125	1.9
116.98645	1.5
119.01910	0.6
121.06547	0.4
122.97817	0.3
123.98564	0.3
124.07600	0.3
134.05960	0.3
134.99721	0.5
136.06149	0.4
136.07541	0.5
140.98795	1.3
152.07019	1.2
158.99881	3.9
174.97704	0.4
175.06230	0.3
177.00957	24.4
178.01064	1.7
182.99826	2.5
185.01501	0.9
195.02168	0.3
198.74406	0.2
200.99042	0.4
201.00929	9.2
202.01067	0.9
203.02513	22.8
204.02626	1.9
214.09102	0.3
218.03654	1.6
219.02007	100.0
220.02119	9.7
221.02197	0.6
226.04143	0.3
234.99673	0.4
236.99477	1.6
242.03575	0.9
242.07187	0.8
247.01540	1.9
261.02676	0.3
266.07260	0.5
268.08807	3.2
269.08829	0.4
275.03461	0.3
278.48444	0.3
284.08270	9.5
285.08423	0.9
286.10205	0.3
287.08157	1.2
290.94754	0.7
296.08289	3.2
314.09317	43.1
314.95209	0.4
315.05759	0.5
315.09518	5.5
332.10397	70.2
333.10577	7.2
334.10919	0.3
337.11188	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03979	0.6
56.96570	3.4
57.03428	2.1
57.88073	0.6
58.99860	0.7
61.02922	2.0
63.28165	0.5
69.03431	5.5
69.75950	2.0
70.06604	1.0
71.04997	10.8
73.02907	1.4
75.82059	0.6
81.03405	1.7
84.08137	0.9
85.02907	19.5
86.09725	1.1
87.04459	1.2
89.06033	100.0
90.06364	1.3
91.03956	1.2
93.07086	0.7
94.44592	0.6
97.02895	9.8
98.22691	0.6
98.97584	10.2
99.04453	3.6
108.08104	3.5
109.02888	1.5
116.98629	6.0
117.05506	2.4
121.06513	8.9
127.03911	3.4
131.01947	3.3
134.09653	1.6
134.99652	1.7
135.06532	33.2
136.06186	12.7
136.07626	1.1
138.09140	2.5
145.03484	0.9
145.04985	3.8
147.04440	2.6
149.02971	0.8
150.05511	3.3
150.07706	0.7
152.07074	1.6
152.09201	7.1
152.10603	1.3
158.99849	1.4
159.09920	0.6
163.04683	0.8
163.06013	0.7
164.05730	0.6
172.94365	4.9
174.97574	0.7
177.00961	5.2
177.02470	1.9
180.08644	5.4
186.95946	0.9
188.04289	0.6
190.95406	2.6
192.98618	1.0
199.62134	0.6
201.01018	2.3
203.02504	4.5
205.00237	0.6
208.96428	0.9
213.00200	0.7
218.98534	1.3
219.02010	19.0
220.02180	2.3
223.01204	0.8
225.02504	1.2
227.04013	1.0
230.98148	1.1
232.96042	1.0
236.99702	0.7
243.03737	1.2
245.05130	1.1
246.97966	1.2
248.99220	2.9
253.01947	1.0
258.99805	1.2
264.99121	0.7
267.00342	0.8
271.03052	3.7
272.95990	4.6
284.08362	2.3
289.04175	1.7
290.97247	11.1
291.97815	0.6
296.08395	1.4
308.98282	1.2
314.09351	7.9
314.12555	2.8
314.15787	1.4
314.98837	0.9
315.02100	1.4
315.09811	1.2
315.13055	0.7
332.06973	0.9
332.10413	12.8
333.10739	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.0
56.96551	2.9
58.03777	0.8
63.52641	0.9
67.05494	1.5
73.57465	0.8
79.05517	1.5
80.04983	1.0
81.07040	2.7
84.81890	0.8
91.05472	1.0
95.08589	1.4
97.10190	1.0
98.96981	1.4
98.97585	23.7
107.08560	1.2
108.08153	1.9
116.10748	1.3
116.98624	15.1
118.06505	1.3
120.08074	2.0
123.08076	1.2
134.06067	1.1
134.09625	1.7
134.99680	7.2
135.06779	1.3
135.11731	1.0
136.07579	33.8
138.09175	1.3
140.00122	1.1
147.33240	0.8
148.07571	65.3
149.08240	3.8
150.09123	9.7
158.01291	1.0
162.09123	2.5
170.15392	1.1
171.15810	1.6
172.05202	1.6
176.10725	1.6
184.05238	10.3
189.47672	0.8
198.14917	2.5
199.15158	2.2
227.14679	1.0
232.16977	12.9
242.15321	2.6
248.93707	1.0
260.16464	100.0
261.16766	5.6
268.14636	2.4
268.94125	1.0
270.04263	1.8
272.93781	2.7
278.13150	1.0
278.17566	3.6
290.94751	17.1
296.14111	99.6
297.14526	5.6
308.95810	2.9
313.96231	2.3
314.15137	46.6
314.25192	1.9
315.07629	1.0
315.15231	1.5
318.42581	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	3.8
61.02915	1.6
69.03415	2.8
70.89149	0.7
70.89471	0.9
72.08150	1.9
73.06558	57.5
81.03436	1.6
85.02904	10.7
89.06036	23.1
94.40584	0.6
97.02903	3.4
98.97584	20.3
116.98625	11.5
117.09142	5.7
127.03922	2.2
132.06596	0.8
134.99625	4.9
135.10172	100.0
136.10503	2.3
136.19781	0.7
145.04953	1.9
147.04337	0.8
236.98749	1.2
253.07002	0.7
272.93820	2.0
290.94781	13.7
296.30600	0.8
306.41125	0.8
308.95840	2.2
315.07352	1.3
315.13928	1.3
327.68375	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1963
Annotation	Heliotrine
Peak:m/z	Relative Intensity
54.52187	0.5
55.01874	6.5
55.05512	8.5
56.05025	1.1
56.96558	1.7
57.03444	0.8
58.14524	0.4
61.31148	0.5
67.05511	4.3
68.05024	1.4
69.03417	1.9
69.07070	1.2
69.44132	2.4
70.02927	1.7
70.06592	18.6
70.06983	0.9
71.04993	18.4
79.05494	3.8
80.05006	1.6
81.03400	1.1
81.07052	4.8
82.06567	0.8
83.04970	1.3
83.08625	5.2
86.06074	6.1
91.05472	1.1
93.07039	2.0
94.06565	1.5
95.08609	1.7
96.04507	1.0
96.08126	27.0
97.10168	9.8
98.06056	1.8
98.09692	14.9
98.23506	0.5
98.97588	9.3
105.07027	0.8
106.06548	1.5
107.04939	0.5
107.08566	3.5
108.08127	3.7
109.06496	0.8
109.10116	1.1
111.08038	0.6
112.07591	1.1
113.27667	0.5
116.98616	4.9
117.07036	0.6
119.08559	1.2
120.08104	1.6
122.06030	10.7
123.07945	0.6
124.07594	4.0
125.08344	1.0
125.08742	0.7
125.09619	5.6
133.86479	0.6
134.99649	1.4
135.08093	0.5
135.11685	0.7
136.07616	0.5
138.09196	0.6
140.07056	6.9
145.10147	1.1
147.11699	0.6
148.07564	1.0
148.11224	0.7
163.11168	1.4
175.11151	0.7
180.13780	0.8
193.12221	1.0
208.13110	0.7
211.76407	0.4
216.60625	0.5
222.18578	1.6
232.16957	2.4
233.05475	0.5
242.15343	0.5
246.32149	0.6
250.18016	16.8
260.16464	6.4
268.19052	3.5
272.93747	0.9
278.17523	17.0
279.17926	0.7
290.94708	5.6
296.18558	100.0
297.15796	0.7
297.18823	4.4
308.95493	1.1
314.13757	0.7
314.19604	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.269
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
53.03934	1.9
55.05510	13.6
56.05037	13.1
56.96555	3.0
57.07078	12.0
60.04520	7.4
65.03943	4.6
67.04248	6.4
67.05500	26.6
68.05027	5.7
69.07054	9.0
69.24519	6.5
69.24916	3.8
70.06581	2.5
71.08627	7.1
72.04524	5.6
75.51218	1.5
77.31084	1.5
79.05492	17.7
80.05008	11.6
81.03419	2.7
81.07056	20.5
82.06578	100.0
83.04976	3.3
83.08610	9.4
84.04514	1.5
84.08125	3.2
85.06644	1.6
85.10177	4.0
86.06061	3.6
91.05480	15.7
93.05793	2.8
93.07046	19.1
94.06566	16.1
95.04985	8.8
95.08603	21.2
96.08129	5.2
97.06533	3.2
97.08835	1.7
97.10207	2.7
98.06040	4.7
98.97579	19.2
105.07037	6.0
106.06573	2.0
107.08633	5.9
108.08089	7.7
109.06545	2.8
109.10148	8.1
110.06046	5.1
110.09698	6.5
111.08094	2.3
111.70199	1.8
112.07608	4.8
116.98606	14.5
117.07017	3.3
119.08608	6.4
120.08108	3.7
121.10110	7.9
122.09666	2.5
123.11752	2.1
126.09078	3.2
131.08525	2.1
133.10132	4.6
134.99677	6.8
135.11646	2.2
138.09158	7.0
147.11697	1.9
149.13264	2.9
156.10194	18.3
159.03340	1.9
159.11693	2.0
161.13313	1.9
169.15881	1.9
207.17360	1.9
223.20538	2.8
248.23694	11.4
249.22054	2.1
260.23795	3.4
266.24738	15.4
268.94049	4.7
272.93515	2.3
274.97662	3.4
278.24744	27.7
290.94754	12.5
296.25821	57.3
297.26123	3.9
298.10760	3.8
307.44113	1.6
314.13910	7.7
314.26889	14.1
315.07568	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	315.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.0
59.88861	0.5
70.15366	0.5
85.02889	0.9
91.92448	0.5
95.04956	1.2
98.97575	4.9
107.05013	0.6
116.98614	3.0
132.04431	0.9
134.99628	1.7
135.09140	1.3
136.07579	1.6
137.05960	0.6
148.16489	0.5
150.05511	0.7
153.10219	2.0
154.08635	0.7
161.39410	0.4
164.07076	3.8
169.02625	2.4
169.13127	1.6
186.09099	0.9
187.42148	0.5
196.07587	4.1
214.08611	1.7
224.07045	1.9
225.07887	1.3
229.03958	0.4
232.95955	0.6
237.06572	1.3
241.07245	0.6
242.08113	100.0
243.08463	5.2
246.11258	1.0
252.10143	1.8
256.08429	1.3
265.06104	3.4
268.09619	0.8
270.07599	33.4
271.08029	2.1
274.97522	1.9
280.09622	2.4
284.09109	0.6
286.10718	1.1
288.65137	0.5
291.94864	1.0
292.95026	0.8
292.98444	1.1
297.08505	0.8
298.10736	30.0
299.11014	2.4
309.95947	0.5
310.95706	0.7
312.83002	0.5
315.07404	1.1
315.10406	1.1
315.13324	24.2
315.16806	23.6
316.13617	1.4
316.17111	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	0.7
70.06592	1.4
71.44984	0.4
72.08157	0.9
75.39771	0.4
76.05518	0.4
76.56984	0.3
81.07040	0.4
85.02917	0.3
86.09718	3.7
97.02914	0.5
98.97580	3.4
103.03935	0.7
108.08131	0.5
116.07137	2.1
116.97887	0.4
116.98619	1.9
117.14770	0.3
124.07549	0.5
127.03935	0.3
134.99701	1.1
136.06226	0.4
137.05962	1.0
145.19733	0.4
153.05507	0.5
153.09061	0.4
153.10220	0.5
154.08659	2.2
159.99388	0.4
173.12852	0.9
199.18036	0.9
229.96870	0.4
237.06676	0.9
242.08185	2.6
255.07654	0.4
256.08429	0.9
265.06049	1.7
270.07574	1.4
270.11014	0.8
274.97580	1.1
286.10446	0.5
292.94797	0.7
292.98468	0.6
297.08707	1.6
298.10843	2.0
315.14090	100.0
316.14468	5.3
316.17615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.4
56.96560	0.9
60.04543	0.4
69.03413	0.5
71.01733	0.5
85.02892	0.5
86.09696	0.4
97.02892	1.2
98.03253	0.6
98.97586	2.5
116.98621	1.7
134.99654	0.7
135.09148	0.5
136.06238	1.7
137.06595	0.7
144.08089	1.0
149.05812	0.4
150.05545	0.4
153.10284	0.6
233.97221	0.3
237.06625	0.4
241.09782	0.4
242.08159	0.9
256.08398	0.7
265.06097	1.1
270.07620	0.7
273.11127	0.4
274.97574	0.7
277.35455	0.4
292.94940	0.4
292.98480	0.4
297.08682	1.4
298.07178	0.9
298.10565	0.8
315.14124	100.0
316.11694	0.5
316.14554	4.9
316.17850	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.0
69.31112	1.0
69.31516	0.9
71.20956	0.3
75.96780	0.3
79.05489	0.3
81.67886	0.3
82.06589	0.4
86.09734	0.4
91.05463	0.5
98.22650	0.6
98.97566	2.1
105.07034	0.6
116.98634	1.3
134.99715	0.4
136.06290	0.4
137.05920	0.5
169.62526	0.3
206.06964	0.8
224.08034	0.6
237.06561	0.5
242.08160	1.1
248.07935	0.4
256.08481	0.6
265.06143	0.8
270.07651	0.6
274.06052	0.4
274.97507	0.6
287.14087	0.5
292.94827	0.5
297.08542	0.6
298.10611	0.8
310.95547	0.5
315.14127	100.0
316.11646	0.5
316.14578	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	315.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.3
55.05510	9.4
56.96551	4.6
57.03427	11.4
61.02917	8.3
63.24060	3.0
63.56849	3.3
67.05505	25.3
69.03439	21.9
69.07057	7.4
71.01366	3.7
71.04987	9.3
71.45689	3.9
73.02907	11.1
73.99635	3.7
79.05496	24.5
81.03416	14.6
81.07056	41.4
83.04974	9.3
83.08642	4.6
85.02908	63.4
85.06514	4.1
86.09703	5.3
87.04477	6.6
91.05472	30.6
93.07043	99.4
94.07370	3.7
95.04969	16.1
95.08604	39.9
97.02899	17.6
97.06547	8.3
98.97595	13.0
99.04461	6.6
103.03947	4.0
105.04542	4.2
105.07047	31.9
107.04974	3.8
107.08594	100.0
108.08961	5.5
109.02884	5.0
109.06523	11.0
109.10146	10.3
111.04421	7.6
115.03934	6.8
116.98611	7.9
117.06996	9.6
119.08570	21.5
120.08113	10.5
121.06495	9.6
121.08412	4.9
121.10131	16.5
123.04431	6.8
123.08090	5.5
123.11666	5.3
127.03945	8.4
129.05466	3.8
129.06966	5.6
131.08551	10.0
133.04968	9.3
133.06529	5.4
133.10135	12.6
134.99626	4.5
135.11694	72.8
137.06023	4.0
137.09656	5.8
137.13263	7.8
143.08560	10.7
145.04845	4.3
145.10155	9.6
147.08098	4.3
147.11687	13.3
151.11221	7.2
153.12738	19.9
157.10153	11.9
159.08008	3.7
159.11670	10.4
161.13280	5.5
163.11157	10.1
165.12743	35.2
177.12782	3.8
178.05049	4.3
183.11742	3.4
187.11171	3.8
193.12175	6.0
207.13722	5.5
219.13847	6.2
237.14787	4.4
243.13698	4.5
256.08508	4.8
261.14896	17.1
265.06064	6.3
270.07758	3.7
279.15817	20.3
297.16953	13.0
315.07458	8.2
315.10428	4.9
315.13669	7.3
315.17911	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.193
Annotation	E-64c
Peak:m/z	Relative Intensity
51.94349	0.6
56.05022	2.6
57.07074	3.4
60.04530	3.2
67.05499	0.7
69.76225	2.1
70.06602	1.3
70.09399	0.6
71.08618	2.1
74.06080	5.9
85.10151	1.1
88.07629	12.6
98.23432	1.1
98.97580	2.6
102.05540	0.9
105.03374	2.0
105.07054	0.7
106.08657	2.0
116.98630	2.3
120.06602	1.1
121.10162	0.8
135.08049	0.8
139.07536	0.7
149.05984	4.7
215.91231	0.6
252.28461	0.7
270.27899	3.2
274.97623	0.8
298.27356	1.4
315.07532	1.7
315.19312	100.0
316.19675	6.3
316.28464	22.2
316.32135	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	315.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	0.5
57.07080	0.9
60.04529	1.0
67.05495	0.4
69.07058	0.5
69.97301	1.3
70.06589	1.5
71.08628	0.5
77.93501	0.4
80.94867	0.4
88.07112	0.4
88.07622	1.9
93.06999	0.5
94.25050	0.4
95.08603	0.5
98.97588	3.5
105.03400	0.6
106.08671	1.2
107.91589	0.4
116.98634	2.3
119.08582	0.4
134.99634	0.8
135.08057	0.4
149.05995	0.9
155.50914	0.4
176.69148	0.5
228.37444	0.5
246.12292	1.2
250.93066	0.5
268.94064	1.2
274.97537	0.4
291.95398	0.4
292.98520	0.7
315.07410	1.3
315.19296	100.0
316.19580	7.1
316.22699	0.7
316.28827	0.5
316.32101	10.6
328.22464	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	0.7
67.05470	0.4
69.50887	1.7
70.06596	0.5
74.44431	0.5
74.46228	0.4
76.96297	0.5
81.07092	0.5
98.97596	0.7
107.40024	0.4
116.98632	0.8
121.10165	0.5
217.59840	0.5
258.27835	0.6
314.34238	1.5
315.07452	1.3
315.19321	100.0
315.34482	4.2
316.19632	7.7
316.23163	0.5
316.32138	1.1
332.17020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61538	0.9
50.72897	0.9
56.96552	1.3
57.07081	4.6
59.91875	0.9
59.99519	0.8
62.06087	2.0
69.55605	3.7
70.19940	1.0
71.08631	2.7
85.10193	0.9
88.07629	2.1
95.04966	1.6
95.08614	1.1
98.97600	3.5
105.07055	1.3
116.98627	3.0
125.10659	0.8
131.08504	1.0
210.59140	0.9
241.27177	1.2
258.27975	4.1
259.28275	4.4
268.94174	1.9
274.97397	1.9
292.95438	1.2
314.34146	13.2
315.07474	1.9
315.19318	100.0
315.30862	2.0
315.34473	26.7
316.19635	7.0
316.22763	1.5
316.32080	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	315.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.2
63.02366	0.6
65.03941	3.0
69.07075	1.9
69.75252	0.5
70.15855	0.2
71.04980	1.0
75.02369	0.9
81.07069	0.3
84.08147	0.4
86.09705	40.0
87.02361	0.3
87.10027	0.7
89.03916	11.2
90.04241	0.3
90.21710	0.2
98.97569	1.2
100.07637	0.7
103.12347	1.5
105.07022	0.2
112.07568	0.8
114.04638	0.3
115.05457	38.9
116.05809	1.2
116.98597	0.5
121.55370	0.2
124.05173	0.2
129.10234	2.7
143.04918	100.0
144.05238	3.3
153.47032	0.2
156.13838	6.3
160.07576	0.8
173.16504	7.7
173.18004	0.4
199.14417	4.4
210.99489	0.3
228.13832	10.9
229.14066	0.3
245.16492	24.3
246.16833	1.1
268.94135	0.4
274.97366	0.2
297.19534	0.8
315.20663	19.8
316.21045	1.3
316.28531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.4
55.01863	0.4
56.96577	2.0
57.03428	0.6
57.23072	0.3
61.02923	1.3
65.03935	0.6
68.01975	0.3
69.03430	3.5
71.04991	0.4
71.45171	0.3
73.02927	0.5
81.03419	1.0
85.02911	8.9
91.03961	0.4
91.05486	16.1
92.05807	0.6
97.02904	2.9
98.97580	2.7
99.04478	0.6
101.06021	0.9
109.02899	0.7
109.06526	1.0
116.98592	0.7
119.04947	10.8
121.06554	0.8
127.03914	1.7
129.10248	0.3
134.99673	0.4
136.07559	0.5
137.05984	100.0
138.06335	2.8
145.04987	1.9
150.66826	0.3
151.05962	0.3
154.08635	19.0
155.08929	0.6
157.90323	0.3
158.24583	0.3
160.06511	0.4
160.99765	0.3
162.25516	0.3
166.08646	0.8
173.40331	0.3
177.00909	0.4
206.07037	1.2
221.01787	1.0
224.08064	0.5
232.96461	0.3
256.04910	0.6
274.97607	2.0
292.98596	0.8
299.11349	0.6
302.05341	0.4
316.08279	0.5
316.13895	5.2
317.06274	1.0
317.14276	0.4
334.10162	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1757
Annotation	Indicine N-oxide
Peak:m/z	Relative Intensity
55.05489	0.5
56.96568	0.7
57.03445	0.3
59.05005	0.3
60.04523	0.3
65.03928	0.3
66.51190	0.3
67.05514	0.4
68.05010	0.8
69.03418	0.3
70.06590	1.0
72.08141	0.3
73.06553	0.8
80.05014	1.5
81.07046	0.7
82.04200	2.2
82.06575	1.0
83.04993	1.8
84.08162	0.3
86.09691	1.0
87.04465	3.5
90.83177	0.3
93.05785	4.4
94.06575	7.6
95.07369	0.4
96.04490	0.5
98.06046	1.2
98.97592	3.1
101.81853	0.3
102.05547	1.0
106.06568	0.7
108.08112	1.5
110.06039	0.9
111.06823	7.3
112.07600	1.7
116.07076	1.4
116.98620	1.9
117.09096	0.4
120.08105	0.4
124.07596	1.1
126.09129	0.7
128.07053	0.3
134.99657	0.6
136.07571	3.4
137.08315	1.0
138.09137	11.2
154.08644	3.4
155.08214	0.5
155.09413	7.5
163.08714	0.3
172.09689	40.7
173.10037	0.8
173.12868	0.8
175.09673	1.0
206.60518	0.3
226.14351	1.1
236.94640	0.3
238.06889	0.3
266.06409	0.4
272.14941	1.0
274.97321	1.6
281.05374	0.3
292.94809	1.0
292.98544	1.1
298.08975	0.3
310.95874	0.6
316.17542	100.0
317.11749	0.6
317.14682	0.7
317.17908	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	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
51.17261	0.4
53.03944	0.5
55.01873	0.5
55.05515	3.6
55.74294	0.5
56.05035	4.1
57.03455	1.2
57.07076	2.0
57.73755	0.5
58.71709	0.4
60.04526	100.0
60.99016	0.5
61.04864	0.8
67.05506	8.9
68.05040	0.7
69.07071	4.6
70.71107	1.0
71.08637	0.9
72.04519	2.2
74.06084	2.1
78.42295	0.5
79.05498	4.0
80.05045	0.6
81.03439	0.8
81.07053	8.3
82.06588	1.3
83.04994	1.0
83.08614	3.3
86.06080	0.6
87.04471	1.2
90.05538	2.2
91.05493	2.9
93.07048	3.4
94.06590	0.7
95.04957	0.8
95.08614	7.5
96.08148	0.8
97.10192	1.9
98.06032	0.6
98.97630	0.5
100.07619	0.6
105.07031	1.5
107.08545	2.3
109.10153	4.0
112.07615	0.5
119.08569	2.2
121.10164	1.5
122.09703	0.7
123.08040	0.9
123.11716	0.7
132.67857	0.5
133.10136	0.9
135.11757	1.0
137.09647	1.4
145.49405	0.5
151.07536	1.2
204.45181	0.4
207.13947	0.5
250.25288	1.4
254.24773	0.5
262.25330	1.7
263.23688	0.8
268.26447	0.7
280.26352	11.7
298.27380	12.7
299.27609	0.7
316.28448	47.1
317.21115	2.2
317.28867	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.7
56.05035	3.6
57.03441	1.1
57.07075	1.9
60.04526	100.0
62.79190	0.5
65.03939	0.6
67.05499	7.0
69.07067	4.7
70.06597	1.2
70.73885	0.9
71.08633	1.4
72.04527	2.0
74.06088	1.7
75.53564	0.5
79.05501	3.3
80.05010	1.0
81.07053	7.9
82.06580	0.7
83.04996	0.7
83.08629	3.6
84.04501	0.6
87.04460	1.9
90.05557	1.5
91.05484	2.4
93.07036	2.9
94.06588	1.0
95.05015	0.5
95.08617	8.2
96.08156	0.5
97.06500	0.5
97.10177	1.5
98.97594	0.8
105.07021	1.0
107.08604	1.4
109.10149	3.0
112.07616	0.6
119.08592	1.8
121.10172	1.7
123.11752	1.1
133.10133	1.4
135.11702	0.8
147.11703	0.8
178.41760	0.6
220.90581	0.6
250.25392	1.4
262.25424	1.2
263.23859	0.6
268.26364	0.7
280.26328	10.8
297.14944	0.5
298.27402	16.0
302.75134	0.5
303.29556	0.5
316.28458	48.6
317.21365	0.6
317.28793	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	316.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.96571	0.2
57.07077	6.9
58.06591	0.7
60.04527	5.1
61.71883	0.2
62.06080	0.2
65.82428	0.2
67.05490	0.4
68.05038	0.2
69.07063	0.4
69.99211	0.5
70.06594	12.0
71.08263	0.3
71.08633	3.3
72.04517	0.2
72.08196	0.2
74.06062	0.3
79.05473	0.2
81.07085	0.4
83.08613	0.3
84.08149	0.2
85.10170	1.1
86.06053	0.2
88.07631	14.5
93.07060	0.2
95.08612	0.5
97.10168	0.2
98.97569	0.5
102.09180	3.2
106.08668	9.7
109.10130	0.4
116.98601	0.3
121.10147	0.3
157.10037	0.2
222.56303	0.2
254.28481	0.2
272.29407	0.6
274.97382	0.2
280.26492	0.3
298.27646	0.3
298.31024	5.3
299.31320	0.5
316.22427	2.5
316.32083	100.0
317.17261	1.9
317.29285	0.3
317.32443	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	316.9205
Annotation	Unknow
Peak:m/z	Relative Intensity
68.53503	0.8
84.38587	0.7
94.57651	0.7
94.93024	3.0
95.04827	0.7
96.92814	0.7
97.64710	0.7
112.89567	1.2
114.89338	1.4
136.94022	100.0
137.05966	1.1
148.94023	1.0
166.95055	1.8
188.89653	1.2
196.87830	1.7
218.94388	5.9
232.92252	0.9
234.83449	1.7
234.89830	0.8
234.91838	2.4
240.03629	0.7
277.50739	0.8
317.06146	1.8
317.09198	2.2
324.80847	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.90207	0.0
55.01868	0.1
65.03632	0.1
65.03940	0.7
67.01858	0.1
67.05474	0.1
68.99773	0.4
69.03458	0.0
69.27901	0.3
79.05490	0.1
81.03403	0.1
87.51324	0.0
92.02618	2.6
93.03397	2.4
94.04198	0.1
95.01306	0.1
95.04956	0.1
105.03397	0.1
107.04895	0.1
107.57747	0.0
109.02855	0.2
109.06496	0.1
111.00806	0.3
115.05419	0.1
117.07008	0.1
120.02070	0.2
121.02858	1.8
122.03675	0.4
123.04416	0.1
124.01527	0.1
124.05173	0.1
126.03123	0.9
133.02847	0.2
135.04411	0.1
136.01529	0.1
137.02332	0.5
137.05911	0.1
139.03894	1.3
145.02782	0.1
145.06424	0.2
147.04408	0.1
149.02338	0.1
150.03107	0.2
151.03900	1.3
151.05005	0.1
152.00999	0.3
153.01811	15.8
154.02107	0.4
155.04875	0.2
159.04247	0.1
161.05948	0.2
162.03166	0.0
163.03851	0.4
165.01830	1.2
166.02623	0.4
170.02061	0.1
171.02872	0.1
172.05145	0.1
173.05933	0.5
175.03914	0.1
176.04649	0.1
177.01854	0.1
177.05472	0.4
179.03394	0.2
183.02863	0.4
183.04388	0.2
184.04959	0.1
184.17418	0.1
187.03885	0.2
189.01772	0.1
189.05484	0.2
190.02628	0.1
190.06223	0.2
191.03476	0.1
192.04109	0.1
193.01266	0.1
194.02124	0.1
200.04674	0.6
201.05450	1.4
202.05798	0.1
203.03369	1.2
204.04094	0.2
205.04979	0.1
211.03902	0.2
213.05452	0.1
215.03436	0.1
217.04944	2.4
218.02412	0.0
218.05695	1.1
219.02869	0.5
219.06213	0.1
228.04149	3.2
229.04939	6.5
230.05341	0.4
231.02847	0.9
232.03714	0.2
233.04572	0.1
239.03325	0.2
243.03024	0.1
243.06456	0.2
245.04434	3.2
246.05209	3.1
246.07904	0.1
247.02351	0.1
247.05396	0.1
256.03693	0.5
257.04419	4.1
258.04889	0.3
259.02243	0.1
260.03128	0.7
261.03687	0.1
261.07513	0.4
267.02823	0.1
271.06104	0.3
273.03900	3.0
274.04681	6.1
275.05048	0.4
284.03159	0.7
285.03897	7.2
286.04349	0.5
287.01904	0.3
288.06036	0.2
289.06677	0.1
299.05472	0.2
301.03406	0.4
302.04172	20.4
303.04532	1.1
317.06512	100.0
318.06857	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	317.0656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92719	0.2
65.03935	1.1
79.05476	0.3
81.07063	0.3
84.41851	0.3
91.05495	0.3
92.02631	3.0
93.02923	0.4
93.03413	2.9
95.08603	0.5
98.97556	0.4
105.07013	0.5
107.04945	1.2
107.08560	0.3
111.00793	0.5
116.98627	0.4
119.08570	0.3
121.02901	2.1
126.03161	1.0
137.02345	0.6
139.03894	1.1
151.03883	1.3
152.01076	0.3
153.01830	18.0
155.04863	0.3
159.53242	0.3
163.03864	0.4
165.01823	1.1
173.06067	0.5
189.05450	0.3
200.04633	0.7
201.05447	1.6
203.03426	1.4
204.03989	0.3
217.04918	2.3
218.05717	1.2
219.02927	0.4
219.83578	0.3
228.04196	3.3
229.04955	7.3
231.02869	1.1
245.04480	3.3
246.05251	3.3
256.03690	0.6
257.04449	4.6
260.03134	0.8
261.07568	0.5
271.05920	0.4
273.03958	3.1
274.04727	6.2
274.97568	0.3
275.05118	0.6
284.03229	0.7
285.03937	7.5
286.04456	0.5
287.01846	0.3
288.06308	0.3
297.06747	0.3
302.04196	20.9
303.04575	1.1
309.10492	0.3
317.06552	100.0
318.06870	5.8
318.17255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0656
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
51.15006	0.1
53.03973	0.2
55.58788	0.1
56.96569	0.3
60.16703	0.2
65.03937	0.7
67.05497	0.3
68.99806	0.3
69.03428	0.2
69.07071	0.8
70.85785	0.2
79.05502	0.2
81.07049	0.2
86.09707	7.3
87.10049	0.7
91.05466	0.2
92.02096	0.2
92.02632	2.8
93.03410	2.8
95.01291	0.2
95.04951	0.3
98.97583	0.3
107.04987	0.3
109.02911	0.2
111.00819	0.3
116.98716	0.2
117.07059	0.2
120.02059	0.2
121.02861	2.2
122.03654	0.2
126.03138	0.9
132.10239	0.2
133.02867	0.2
135.04436	0.3
137.02354	0.4
139.03883	1.5
145.06479	0.3
146.05988	0.4
147.04408	0.8
149.02286	0.2
150.03087	0.2
151.03912	1.5
153.01825	17.7
154.02144	0.5
155.04884	0.2
157.13361	2.2
158.13716	0.4
161.06032	0.2
163.03850	0.2
165.01826	1.1
165.05470	0.3
169.19691	0.2
170.02119	0.2
173.06018	0.3
177.01917	0.2
177.05508	0.4
179.03378	0.3
183.02988	0.3
183.04381	0.4
185.12878	0.8
186.13240	0.3
187.03877	0.2
188.07036	1.1
189.04187	0.3
190.06230	0.2
200.04692	0.6
201.05473	1.6
203.03406	1.6
205.09753	1.1
213.05367	0.2
217.04968	2.8
218.05701	1.4
219.02924	0.5
224.07689	0.2
227.06955	0.2
228.04205	3.3
229.04958	6.9
230.05428	0.4
231.02931	0.7
231.06227	0.3
233.04251	0.3
241.04904	0.2
241.08568	0.3
243.06593	0.2
245.04474	3.4
246.05183	3.1
256.03674	0.5
257.04449	4.5
258.04922	0.3
260.03146	0.7
261.07510	0.6
271.06052	0.3
273.01114	0.2
273.03958	3.1
274.04709	6.8
275.05099	0.5
284.03171	0.8
285.03934	7.4
286.04245	0.6
287.01923	0.4
288.06277	0.4
299.05444	0.4
301.03497	0.2
301.10706	0.3
302.04205	21.4
303.04456	1.0
317.06546	100.0
318.06891	5.8
318.10513	0.2
318.12943	0.2
318.17966	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40279	0.9
71.28817	0.8
76.11813	0.9
78.95657	1.0
80.86305	0.9
94.93020	3.3
100.01393	1.0
112.89636	2.8
114.89375	2.2
136.94026	100.0
144.78926	0.9
148.94048	1.0
153.04544	1.0
155.65820	0.9
162.20596	0.8
196.87807	2.0
218.94420	5.2
232.92401	1.2
234.91791	2.2
258.82541	1.0
274.89679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.2
60.04518	1.0
62.97564	0.8
63.32953	0.7
66.91521	0.8
69.51617	3.0
70.06592	1.5
86.09721	1.9
87.09990	0.8
95.04958	0.9
98.43858	0.7
98.97574	2.5
113.61131	1.1
116.07102	3.0
116.98616	2.7
121.06519	1.1
123.04394	2.0
137.05988	3.1
181.63652	0.7
192.75601	0.7
203.05315	1.1
214.08641	1.1
243.11308	1.4
257.09674	1.1
264.67053	0.9
266.77130	0.8
270.71451	0.8
271.10712	1.8
274.97562	1.8
287.10052	1.8
289.12100	0.9
299.10342	1.9
317.12033	100.0
318.12210	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	317.2114
Annotation	Bacillariolide II
Peak:m/z	Relative Intensity
55.05514	14.2
56.96540	4.1
67.05508	33.0
69.07071	13.2
70.06616	4.6
71.04988	21.7
79.05486	27.5
81.07056	55.9
83.08627	6.3
85.06543	100.0
88.07627	5.8
91.05484	19.4
93.07041	54.3
95.04967	7.6
95.08601	57.7
97.10178	4.8
98.97589	10.7
99.08065	3.8
105.07027	55.5
107.04949	4.0
107.08603	73.2
109.06492	7.2
109.10162	31.3
112.18356	3.5
113.06028	3.5
116.98629	5.6
119.08581	39.0
121.10155	40.3
123.08074	3.8
123.11715	9.3
127.07558	30.9
131.08583	10.7
133.10138	39.0
134.99681	3.2
135.08057	3.3
135.11707	16.1
137.09581	3.0
137.13251	3.5
140.86360	3.2
141.09132	4.5
145.10129	11.7
147.11685	31.1
149.09679	3.0
149.13251	30.4
157.10152	5.3
159.11671	14.6
161.13234	19.2
163.14827	13.9
167.10672	3.3
171.11742	3.3
173.13188	14.6
175.14870	20.4
176.15544	6.6
177.16367	5.1
179.10660	5.6
181.12170	6.7
187.14781	8.3
189.16414	4.8
192.55342	2.6
193.12282	7.3
195.13794	3.1
201.16426	3.9
218.08012	3.0
219.13925	5.3
227.18005	4.2
229.19551	35.7
233.15324	5.3
253.19463	5.2
270.93878	4.4
271.20624	11.6
288.92130	5.6
289.21613	27.0
299.19968	6.5
306.93222	3.4
317.06824	3.6
317.13446	4.1
317.17456	6.1
317.21060	33.9
318.30054	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	317.2113
Annotation	all-trans-4-Hydroxyretinoic acid
Peak:m/z	Relative Intensity
53.03943	5.0
55.01878	2.0
55.05512	100.0
56.05833	1.9
57.07067	8.3
59.04998	1.4
60.04533	16.4
60.71206	1.3
63.94527	1.3
67.05507	19.6
69.03439	3.3
69.07068	11.5
69.49798	1.2
70.06592	11.4
71.08622	3.7
71.46466	2.0
77.03928	1.4
79.05490	40.5
81.07056	59.7
83.04981	46.8
83.08623	6.6
84.08920	1.7
85.06536	1.6
87.04473	1.9
87.24799	1.3
88.07632	11.2
88.43064	1.2
91.05482	25.6
93.03447	1.4
93.07043	31.0
95.04980	7.5
95.08607	34.4
96.08929	1.7
97.06526	13.7
97.10180	2.1
98.97582	5.0
101.47237	1.4
102.09202	6.9
103.05469	1.8
105.06342	2.7
105.07030	40.6
107.04944	8.4
107.08592	33.8
109.06505	11.7
109.10157	23.7
111.04453	2.8
111.08092	3.2
116.98607	2.6
117.07001	6.8
119.04961	2.7
119.08578	54.1
120.08892	2.2
121.06491	5.5
121.10141	19.0
123.08069	4.4
123.11721	6.8
125.05988	44.9
126.06303	2.1
128.06221	2.2
129.07016	5.1
131.04907	1.5
131.08566	37.1
133.06512	11.3
133.10130	23.9
134.10437	1.4
135.08118	2.5
135.11676	7.6
137.05995	5.9
137.09605	7.0
137.13298	2.0
139.07564	1.6
139.11180	1.7
141.06978	2.4
142.07809	2.9
143.08549	12.0
144.09428	2.6
145.06444	4.1
145.10120	27.3
146.10574	1.3
147.08044	7.9
147.11696	13.5
149.05983	6.7
149.09636	6.1
149.13255	23.4
151.07542	8.3
151.11177	11.5
155.08585	6.6
156.09354	5.1
157.10121	14.2
158.10901	4.9
159.08049	5.6
159.11676	24.5
161.09657	8.7
161.13261	12.2
163.07584	4.5
163.11163	8.7
163.14841	1.3
165.12761	8.6
168.09349	3.4
169.10153	7.4
170.10959	1.9
171.08133	2.4
171.11682	18.3
172.12262	1.7
173.05919	1.9
173.09650	5.2
173.13260	92.0
174.13632	4.1
175.11203	4.3
175.14839	10.1
177.09157	3.8
177.12743	12.2
182.10881	5.7
183.08089	1.6
183.11664	13.9
184.12413	1.7
185.09647	1.9
185.13251	4.5
186.10483	4.1
187.11194	4.6
187.14807	22.2
189.09122	3.6
189.12788	4.0
189.16348	8.4
190.16678	1.9
191.10701	1.3
193.10170	2.0
197.09612	1.8
197.13274	23.4
198.14012	6.4
199.11171	2.4
199.14827	11.6
201.12729	27.3
202.13049	1.9
205.12350	2.4
207.11790	1.6
211.11235	2.8
211.14853	7.0
213.16362	4.3
215.10744	2.6
215.14302	22.2
216.14890	2.5
217.15883	30.9
218.16312	1.5
219.13797	17.6
223.14856	2.1
225.12708	6.5
227.14268	5.1
227.50526	1.3
229.12172	1.8
229.19478	3.7
239.14226	1.8
241.15874	2.2
243.13750	17.7
243.21178	1.6
244.14447	1.4
253.19505	29.9
254.19858	2.5
256.26355	20.7
263.17923	3.1
264.23944	1.6
271.20575	66.1
272.21063	3.1
281.19006	29.9
282.19278	2.2
288.92099	1.6
293.04166	1.6
299.20038	92.8
299.27435	3.2
300.20425	5.4
300.28979	2.1
317.17419	2.5
317.20999	31.0
317.28787	9.0
317.32068	2.1
318.17078	1.5
318.30020	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
56.96554	0.6
59.05003	0.3
72.08179	0.3
74.45985	0.3
77.03919	0.5
85.02915	0.9
86.09712	0.4
91.05469	2.2
93.07050	4.4
95.04964	0.9
97.02901	0.4
98.97581	4.2
101.00871	0.7
101.25688	0.3
103.05462	2.9
104.31449	0.3
104.79996	0.3
105.04519	0.4
114.72871	0.3
116.98639	1.6
119.01926	1.6
121.06506	100.0
122.06083	0.4
122.06850	2.4
133.03474	1.2
134.99652	0.6
136.06200	0.4
137.05984	0.9
138.05507	0.7
138.09140	29.6
139.09525	0.6
150.05588	0.7
151.04507	0.6
171.01427	0.3
173.02980	0.4
175.00870	2.1
178.00890	0.4
189.02477	0.9
193.01991	0.5
199.00787	0.5
204.02509	0.4
217.01930	3.3
218.08159	1.3
220.02321	0.3
222.37534	0.3
235.03015	1.9
242.08282	0.4
243.09145	0.3
250.01363	0.5
258.99777	2.1
259.02921	0.6
268.09793	0.4
270.07544	0.4
276.07294	0.4
277.00827	1.9
277.04071	2.0
282.46487	0.4
294.98373	0.4
295.05002	0.4
318.06546	0.3
318.17139	0.6
319.13260	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17672	1.1
53.03962	2.2
55.01868	2.6
57.03427	5.9
61.02925	10.0
69.03435	15.9
69.61993	5.0
71.01393	1.1
71.05010	1.9
73.02921	3.2
81.03425	6.4
83.01366	1.2
85.02905	100.0
86.03226	1.3
87.04504	2.5
91.03953	7.8
91.05473	1.4
92.40091	1.2
93.07061	3.8
97.02901	20.3
99.04451	3.8
103.03950	1.6
103.05499	1.9
103.51619	1.1
109.02890	8.4
121.06509	86.5
127.03919	20.9
131.08594	2.0
145.04956	49.8
146.05309	1.6
156.10190	1.8
157.06561	1.6
159.08066	3.7
163.06033	14.2
175.07524	1.5
179.07091	2.5
180.08658	5.6
185.06020	1.6
187.07530	17.9
197.61157	1.3
201.09113	1.5
205.08609	15.4
217.08615	1.9
229.08583	6.3
232.76195	1.2
235.09706	2.3
247.09630	8.0
265.10663	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	318.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.5
55.01872	2.7
57.03432	4.7
61.02927	9.6
61.67080	1.9
65.17951	1.7
69.03434	19.1
70.13177	3.5
71.04991	2.5
73.02917	5.6
81.03448	9.2
85.02907	100.0
86.03242	1.7
86.09704	1.5
87.04465	2.1
91.03951	5.6
91.05487	1.5
93.07040	4.4
97.02898	25.4
99.04472	3.7
109.02886	7.6
113.29243	1.5
121.06510	76.0
122.06844	2.0
126.94058	1.7
127.03911	18.1
145.04967	37.9
156.10185	4.5
163.06030	7.3
178.81685	1.5
180.08699	20.1
187.07590	11.8
205.08603	7.7
229.08607	4.9
247.09645	3.2
265.10547	3.7
318.06952	1.9
318.15262	3.1
319.13647	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	318.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	1.2
56.05040	0.6
57.03438	0.9
60.04525	1.2
61.02924	1.2
64.57004	0.6
69.03433	4.2
69.07064	1.0
69.40528	0.6
71.28702	0.9
72.08158	0.9
73.02924	1.1
79.05510	0.8
80.04998	0.6
81.03426	1.4
81.07036	0.7
82.06589	0.9
83.05031	0.6
85.02908	8.6
86.09691	2.3
87.04456	0.8
91.05477	1.2
93.07036	2.3
95.07369	1.0
95.08612	1.5
96.04488	2.7
96.08129	1.9
97.02894	4.4
97.05272	2.4
97.06519	1.7
98.97602	1.6
100.07617	1.6
109.02879	1.6
109.06503	1.3
110.06039	6.0
110.09676	3.7
111.08082	1.1
121.06508	4.6
121.10148	0.6
123.04422	1.6
126.09148	6.9
127.03913	2.3
137.05989	2.5
138.09148	20.2
139.07565	1.6
145.04997	1.7
152.10526	0.6
154.98358	0.7
156.10202	100.0
157.10553	2.6
165.05481	0.7
168.10274	1.3
173.12918	1.4
186.10460	0.6
198.11172	0.7
201.12436	0.7
292.10693	0.6
318.09650	1.3
318.16080	3.9
318.22681	0.8
319.12863	1.0
327.78195	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.9
69.30667	6.7
98.97588	100.0
99.97909	1.7
116.98627	49.6
134.99658	18.4
140.00089	1.3
150.99924	1.3
172.77737	1.3
174.97655	4.1
177.00943	3.7
179.00735	7.1
187.82787	1.2
194.91216	2.4
197.22984	1.3
205.02293	12.9
212.92274	5.1
213.56931	1.2
216.98695	15.3
219.01981	5.2
219.90512	1.7
220.02145	1.7
221.01762	5.4
221.55370	1.4
222.01851	1.5
223.75478	1.3
230.93375	2.7
233.54326	1.5
234.96115	2.1
234.99780	20.1
235.03542	1.8
236.92250	1.4
240.98796	4.4
247.03412	4.2
253.04259	1.9
254.93259	8.9
258.99765	77.6
259.99963	11.1
261.03217	1.7
263.02841	3.1
264.03064	4.4
272.94397	20.0
274.97464	1.8
277.00854	76.6
277.04367	12.2
278.01111	10.7
278.96570	1.8
283.00052	4.6
290.95471	7.9
295.05490	11.0
296.94534	1.5
300.02371	2.3
300.97562	4.6
301.01181	5.1
302.01215	1.9
314.95377	8.1
318.98386	7.7
319.06845	1.9
332.96304	1.7
336.98898	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	319.079
Annotation	Pibocin A
Peak:m/z	Relative Intensity
55.17979	15.8
56.76838	14.2
70.06596	22.3
84.08154	22.4
86.09724	22.1
93.81887	18.1
98.97559	81.7
116.98683	39.2
127.45890	21.7
128.47183	14.7
134.99702	21.6
136.94016	21.7
148.27960	17.3
158.99739	20.4
177.00697	17.6
230.94370	22.6
258.99887	32.3
272.95282	81.2
277.00861	44.3
285.00229	23.5
296.95377	22.5
319.07751	100.0
319.13416	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18344	3.4
56.96566	4.3
67.40220	3.7
79.02362	3.7
91.05493	5.0
93.46307	3.8
98.97562	5.2
118.70708	4.3
121.10162	5.1
157.12296	5.8
172.07553	4.0
227.11685	7.1
228.74258	4.5
241.09674	6.4
242.08144	4.4
255.11339	13.7
256.09512	4.5
273.12378	25.4
274.10663	4.4
283.10825	5.6
301.11746	31.6
319.11450	100.0
320.11722	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	319.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.5
67.05493	2.8
68.18816	2.0
69.07086	2.6
69.41194	8.3
70.06580	3.6
72.08154	4.2
79.05474	2.2
81.07044	2.0
83.08604	2.1
85.02907	7.0
86.09666	3.1
88.26321	2.1
89.98830	1.9
95.83351	1.9
97.02865	3.4
97.06566	2.6
98.97621	2.2
99.08112	3.4
101.47658	2.2
116.98570	2.2
121.06545	2.5
125.08006	1.8
127.03954	2.2
127.90747	2.1
137.06015	2.6
138.02783	2.2
139.03629	2.0
139.11198	6.1
157.08629	5.9
157.12242	4.3
159.11298	3.8
160.11452	3.5
175.09662	2.9
177.05515	2.0
183.09149	2.3
209.10905	2.2
211.08669	3.2
212.09370	2.9
213.10187	4.9
220.96617	2.2
226.11003	10.0
227.11768	12.2
228.10197	6.0
255.11298	13.7
270.10034	12.0
271.10837	4.1
272.11563	15.6
273.12341	8.6
283.10809	9.7
301.11844	100.0
302.12408	3.7
319.12686	48.3
319.17029	4.1
320.12054	2.5
320.18600	4.1
323.39594	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46430	1.5
54.22747	1.5
67.05509	5.7
69.75591	5.6
79.05478	3.3
91.05483	6.0
92.04996	2.9
93.07030	4.0
95.04965	3.6
95.08572	2.1
98.22743	3.2
105.07027	2.5
107.08545	3.3
110.06075	2.3
111.04520	1.5
119.04958	4.8
119.08604	2.9
120.08118	2.0
121.02879	2.6
121.06519	2.5
131.08571	2.2
132.08125	1.9
134.06029	1.8
136.07578	9.2
138.05513	11.3
142.07738	2.0
147.11731	1.8
155.08562	1.7
157.10132	3.4
158.09715	2.6
160.07596	12.6
162.05481	17.1
166.05031	10.5
166.08609	2.1
167.07372	2.4
169.39452	1.6
169.41061	1.8
172.11203	3.8
176.19044	1.9
180.06548	4.3
184.06039	2.2
186.09143	6.5
188.07050	31.5
200.07158	2.0
200.10695	17.3
214.08630	44.5
227.11815	5.4
228.10191	39.9
228.12436	2.9
229.10437	2.0
242.08127	3.6
255.11342	9.9
256.09680	100.0
257.10074	5.9
273.12387	5.1
274.10828	6.9
284.09164	30.7
301.11823	2.5
302.10223	96.6
303.10529	5.1
319.12823	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	319.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44619	0.3
70.22853	0.5
70.23170	0.4
77.51990	0.3
98.97593	0.9
139.07539	0.3
152.54765	0.4
157.08354	2.3
196.45857	0.3
255.11354	0.4
267.58682	0.3
301.11868	0.5
319.13629	100.0
320.13989	5.2
343.26068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01872	3.9
57.03427	5.6
59.81880	1.7
61.02930	13.0
62.03269	2.2
66.03178	1.8
69.03434	17.4
70.03767	5.5
70.58696	4.0
71.05005	3.3
72.05323	1.9
73.02921	4.0
80.14782	1.8
81.03405	6.7
82.03735	2.7
85.02908	100.0
86.03233	37.8
87.03352	1.9
87.04440	2.8
91.03952	11.0
97.02901	21.6
98.03240	13.0
99.04466	4.4
99.78992	2.1
103.05468	2.4
109.02882	5.4
110.03232	2.6
118.07442	1.9
118.77438	2.2
121.06503	45.4
122.06836	49.5
123.07015	2.4
127.03908	17.6
128.04274	11.5
145.04968	33.4
146.05283	22.6
156.10190	2.4
157.10608	3.4
160.08389	2.6
163.06006	7.7
163.07701	1.8
164.06404	4.4
173.57660	1.8
180.07283	2.9
180.08672	14.8
181.09039	10.1
185.06154	1.9
187.07492	3.5
188.07848	11.7
205.08588	3.4
206.08902	11.0
230.08926	3.9
248.10030	5.6
249.41179	2.0
266.11212	3.6
294.07620	1.9
319.13031	10.5
319.16653	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	319.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.4
56.41135	0.4
56.96560	1.1
75.68456	0.3
77.03920	0.4
81.61877	0.4
84.08137	0.5
91.05492	2.4
93.07042	4.6
94.06570	0.5
95.04963	1.2
98.97589	4.8
103.05455	3.3
105.04498	0.4
116.98608	2.0
119.01911	0.7
121.06511	100.0
122.06031	0.7
122.06833	5.9
123.04470	0.8
134.99664	0.6
137.05971	0.5
138.09146	29.9
139.09480	1.7
150.05502	5.7
151.05809	0.4
153.05484	1.5
158.99664	0.5
166.05011	0.4
172.94185	0.4
177.00659	0.4
187.14502	0.5
208.02855	0.9
212.93201	0.6
216.98749	0.4
217.01848	0.5
218.08177	1.1
219.08511	0.6
220.02892	0.6
223.04546	0.4
224.07144	0.5
226.03827	0.8
230.08096	0.8
230.94290	0.5
234.99835	0.8
237.92274	0.4
238.03853	0.4
241.09683	0.7
242.08183	1.0
243.08861	2.2
254.94302	1.1
258.07657	1.0
258.99771	1.8
269.09241	1.5
270.07693	1.4
272.95297	2.7
277.00797	1.6
277.04913	1.2
279.03943	0.4
284.09189	1.4
295.05939	0.9
296.95425	1.0
301.11716	1.0
302.10257	1.6
314.96274	0.9
319.07574	1.4
319.13229	4.9
319.17084	0.8
320.18576	0.6
336.99155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1905
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
50.26065	1.6
53.03954	1.8
55.01884	2.6
55.05508	18.1
57.07079	5.1
62.43473	1.7
65.70170	1.9
67.05492	9.2
69.07064	10.5
71.05006	6.7
79.05491	7.6
79.57949	1.8
81.07053	13.3
83.04980	5.7
83.08617	8.2
85.06533	9.9
87.86314	1.9
91.05481	14.5
93.07048	17.2
95.04985	7.9
95.08606	69.0
96.08929	1.7
97.02882	1.9
97.06551	4.0
98.86415	1.7
98.97569	2.5
105.07026	32.4
107.04964	4.9
107.08597	17.0
109.06528	7.7
109.10155	17.3
111.04451	2.7
111.08015	2.6
115.05418	2.8
117.07025	5.2
119.04958	4.2
119.08578	47.4
121.06507	100.0
121.10158	12.2
122.06889	3.3
123.04406	3.3
123.08053	2.7
123.11775	2.9
125.06036	2.7
128.06165	2.5
129.06989	6.9
130.07838	2.2
131.08551	14.5
133.06496	10.0
133.10126	20.9
135.04350	2.2
135.08054	14.5
135.11699	2.6
137.05972	4.3
139.03883	2.1
141.05455	7.6
142.07790	5.3
143.08575	12.7
145.06473	2.6
145.10101	15.7
147.08052	23.3
147.11678	41.0
149.09634	1.9
151.04051	2.9
153.05458	2.9
155.08626	3.5
156.09392	7.3
157.06532	2.2
157.10118	16.7
159.08072	7.8
159.11688	10.3
160.08817	3.6
161.05978	6.2
161.09599	11.3
161.13263	39.3
162.13548	2.4
163.07576	5.3
163.11240	3.4
165.05498	17.7
169.10130	2.9
171.11681	29.1
171.13022	2.5
173.09637	6.1
173.13237	11.7
174.10423	2.6
175.07594	7.9
175.11189	11.9
175.14832	4.7
177.09064	4.3
179.07054	2.5
182.10811	2.4
183.11678	4.0
185.09703	2.1
185.13330	4.5
187.11200	3.7
187.14790	3.4
189.09186	4.0
189.12741	71.6
190.13179	4.1
191.14342	16.5
193.08597	2.3
197.13266	6.4
199.11180	9.8
199.14793	20.4
201.09126	2.5
201.12660	3.4
203.10733	3.0
203.14337	2.9
207.13776	12.3
213.16367	2.2
215.14333	16.7
217.12216	62.1
218.12543	4.4
227.17990	5.5
233.15356	3.3
235.13278	94.9
236.13614	3.9
237.16414	3.7
243.13809	5.4
245.11734	4.5
245.15379	5.4
255.17427	12.9
259.13303	2.2
273.18427	12.5
283.16943	8.4
295.86163	2.0
301.18002	22.1
301.21304	2.8
302.18195	2.4
307.20938	2.0
319.15393	3.2
319.18985	30.3
320.19034	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	319.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	100.0
60.04516	1.8
67.05500	2.5
69.07071	3.6
69.64679	3.3
69.65055	5.0
71.08635	84.8
72.08955	2.2
81.07045	2.0
83.08636	2.5
85.10185	52.7
88.82149	1.4
89.06033	70.5
93.07079	2.1
98.23363	3.5
99.11726	8.5
105.07070	2.3
107.07076	6.1
111.11714	2.1
113.13308	3.3
130.08641	2.2
133.08592	15.7
146.05217	1.6
151.09668	49.7
218.67250	1.6
227.95258	1.6
270.10779	1.8
275.09177	1.7
319.22656	10.3
319.30957	2.2
320.14902	2.5
320.18539	6.1
320.25754	4.0
320.29385	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	320.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
64.04530	0.2
66.96814	0.2
69.03411	0.4
69.15532	0.6
69.15941	0.6
70.06612	0.2
71.01357	0.4
97.02872	1.4
99.35491	0.2
101.62416	0.2
103.05444	0.3
109.02870	0.3
110.12677	0.2
127.03909	0.8
130.06525	100.0
131.06870	2.8
139.03905	0.3
140.97656	0.2
145.02820	0.2
146.06093	0.3
156.08134	0.2
158.06010	2.4
176.07077	1.7
177.05452	0.3
180.08112	0.2
184.07605	1.2
210.05457	0.5
223.51003	0.2
226.08653	0.9
238.08594	0.5
254.08150	2.4
256.09616	0.3
258.76126	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	320.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96051	0.1
55.01864	0.2
55.05505	0.2
55.11604	0.1
61.26353	0.2
65.45071	0.1
67.05510	0.2
67.64692	0.1
69.03415	0.2
70.06591	0.3
70.97151	0.2
71.01343	0.2
72.08142	0.5
77.03925	0.2
81.03421	0.3
81.61737	0.2
93.07047	0.2
97.02901	1.4
99.04467	0.3
103.05484	0.5
113.07128	0.6
127.03933	1.3
130.06526	100.0
131.05983	0.2
131.06874	3.0
131.08350	0.2
136.86087	0.2
146.06062	0.2
147.04391	0.4
152.59708	0.2
156.08058	0.5
158.06013	1.9
161.07471	0.2
165.54504	0.2
175.08647	0.3
176.07077	1.9
181.58829	0.2
183.04471	0.1
184.07587	1.0
189.06999	0.2
210.05365	0.4
221.09175	0.8
226.08569	0.8
238.08702	0.3
254.08110	2.7
256.09613	0.3
274.10696	0.2
302.10220	0.2
302.23196	0.4
320.11176	0.3
320.18958	0.2
320.24228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30490	0.7
54.21162	0.5
56.96556	0.7
59.51946	0.6
69.89693	1.8
82.99844	1.2
92.64693	0.6
94.93015	3.1
94.99917	0.5
96.92240	1.1
98.97579	1.5
101.00872	9.4
105.00388	0.7
109.22914	0.6
112.89609	20.2
113.00878	4.7
114.00946	0.6
114.89352	5.9
115.02414	1.9
116.98575	0.6
119.01926	18.7
119.02768	1.3
119.92520	4.5
120.01973	1.0
128.98586	1.2
131.01907	16.2
131.08916	0.7
132.02058	0.6
133.03493	4.5
136.93980	1.2
137.02971	1.9
137.06018	3.8
140.98575	0.6
143.01939	3.8
145.03522	1.5
149.02968	2.3
151.04570	0.7
155.01886	12.9
157.03481	1.5
158.99667	2.7
159.01346	0.9
160.02797	0.8
161.02982	5.8
167.01897	0.8
168.99835	2.6
173.02969	28.0
174.03102	1.4
175.04501	3.0
177.00719	1.9
177.02444	2.5
178.95134	1.0
180.19685	0.6
181.61076	0.6
183.01425	1.7
184.06433	0.8
185.02974	5.5
187.00900	4.2
189.02441	2.1
191.04050	3.5
196.99251	1.2
201.00821	1.9
201.02441	55.6
202.02492	3.2
203.04016	3.1
205.01939	1.6
213.02463	15.7
214.02570	0.9
215.00375	4.6
219.03513	100.0
220.03650	5.7
221.05101	2.6
222.94022	1.4
229.01886	3.3
231.03517	18.1
231.05711	1.4
232.03592	1.3
233.01465	0.9
233.05054	2.6
237.04649	3.3
239.06223	1.0
242.05095	2.7
247.03004	7.5
247.91266	8.0
249.04582	9.5
261.04587	4.9
263.05997	1.2
265.04001	1.2
273.04550	1.0
279.05594	1.2
289.03970	2.3
291.05634	0.7
320.98718	1.4
321.06540	8.2
321.09586	4.4
321.12845	2.7
322.06714	0.8
322.17542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30490	0.7
54.21162	0.5
56.96556	0.7
59.51946	0.6
69.89693	1.8
82.99844	1.2
92.64693	0.6
94.93015	3.1
94.99917	0.5
96.92240	1.1
98.97579	1.5
101.00872	9.4
105.00388	0.7
109.22914	0.6
112.89609	20.2
113.00878	4.7
114.00946	0.6
114.89352	5.9
115.02414	1.9
116.98575	0.6
119.01926	18.7
119.02768	1.3
119.92520	4.5
120.01973	1.0
128.98586	1.2
131.01907	16.2
131.08916	0.7
132.02058	0.6
133.03493	4.5
136.93980	1.2
137.02971	1.9
137.06018	3.8
140.98575	0.6
143.01939	3.8
145.03522	1.5
149.02968	2.3
151.04570	0.7
155.01886	12.9
157.03481	1.5
158.99667	2.7
159.01346	0.9
160.02797	0.8
161.02982	5.8
167.01897	0.8
168.99835	2.6
173.02969	28.0
174.03102	1.4
175.04501	3.0
177.00719	1.9
177.02444	2.5
178.95134	1.0
180.19685	0.6
181.61076	0.6
183.01425	1.7
184.06433	0.8
185.02974	5.5
187.00900	4.2
189.02441	2.1
191.04050	3.5
196.99251	1.2
201.00821	1.9
201.02441	55.6
202.02492	3.2
203.04016	3.1
205.01939	1.6
213.02463	15.7
214.02570	0.9
215.00375	4.6
219.03513	100.0
220.03650	5.7
221.05101	2.6
222.94022	1.4
229.01886	3.3
231.03517	18.1
231.05711	1.4
232.03592	1.3
233.01465	0.9
233.05054	2.6
237.04649	3.3
239.06223	1.0
242.05095	2.7
247.03004	7.5
247.91266	8.0
249.04582	9.5
261.04587	4.9
263.05997	1.2
265.04001	1.2
273.04550	1.0
279.05594	1.2
289.03970	2.3
291.05634	0.7
320.98718	1.4
321.06540	8.2
321.09586	4.4
321.12845	2.7
322.06714	0.8
322.17542	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0948
Annotation	(-)-Dihydroflustramine C
Peak:m/z	Relative Intensity
56.96560	2.7
63.07307	1.3
70.04235	2.6
70.04578	2.7
98.97601	9.9
116.98648	3.6
123.04443	8.0
124.04770	5.2
128.98584	2.2
131.04951	2.0
137.06009	3.7
152.98619	1.5
219.01680	1.6
237.02893	2.3
279.07608	8.1
321.09454	100.0
322.09888	3.4
322.17551	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	321.1024
Annotation	N4-Acetylsulfamethazine
Peak:m/z	Relative Intensity
55.05498	0.2
57.07069	0.3
57.28773	0.2
69.40870	0.9
77.56719	0.2
81.07065	0.3
95.00346	0.2
116.86258	0.2
140.04994	0.4
241.44286	0.2
292.09937	10.3
293.10663	6.1
317.57037	0.2
320.09457	9.9
321.10211	100.0
322.10538	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04239	0.3
60.04525	3.1
60.54230	0.2
63.92328	0.2
69.64059	0.4
69.64469	0.6
70.02956	6.2
74.02441	1.1
77.41386	0.2
79.23137	0.2
88.03979	2.3
91.05474	0.9
95.08605	0.2
96.08190	0.2
102.05540	25.6
103.05883	0.2
105.07031	0.6
107.08612	0.2
114.63773	0.2
116.03420	0.9
117.05684	0.2
118.06545	1.3
119.07337	0.2
122.06036	0.5
124.07581	0.3
128.04074	0.4
128.04956	3.5
128.05829	0.3
132.04446	1.9
134.09639	0.9
136.07521	0.2
146.06006	100.0
147.04482	0.3
147.06335	3.3
148.06038	6.3
151.02191	0.3
152.07059	1.3
162.09161	1.1
164.07033	0.5
166.70355	0.2
174.05508	19.1
175.05836	0.6
179.14345	0.2
180.06535	0.4
182.08191	0.3
190.08606	0.4
192.06505	0.6
200.09361	0.3
215.11819	0.3
225.16425	0.2
228.08994	0.2
243.07684	2.9
243.11212	1.4
261.08734	2.2
275.10263	6.6
275.13345	0.3
285.12384	0.5
289.08173	2.0
289.11862	1.0
293.11493	0.3
303.09729	1.8
303.13367	1.2
321.10791	3.6
321.14459	1.5
321.18918	0.6
321.24393	0.2
322.10782	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40386	0.2
57.89583	0.2
58.49261	0.2
59.04999	0.2
60.04532	2.8
67.05501	0.2
70.02957	5.7
74.02441	1.4
74.73720	0.2
79.05520	0.2
81.07061	0.3
88.04001	2.2
88.06627	0.2
91.05476	0.4
93.07079	0.2
94.06588	0.2
102.05545	26.0
105.07038	1.5
116.03455	0.8
118.06531	1.0
119.04954	0.2
120.08060	0.2
122.06040	1.6
128.04959	3.4
132.04433	2.0
134.09662	2.7
136.07576	1.4
143.10677	0.3
146.06009	100.0
147.06361	3.1
148.06050	6.6
150.05600	0.4
162.09143	2.6
164.07068	0.2
174.05513	20.0
175.05830	0.8
184.71449	0.2
190.08640	0.7
192.06596	0.8
220.08707	0.8
243.07663	3.5
243.10391	0.2
243.11356	0.3
261.08722	1.9
261.12323	0.3
275.10275	5.8
275.13370	0.3
279.15707	0.2
289.08209	2.2
289.11398	0.4
293.11307	0.6
303.09677	1.4
303.13235	0.5
321.10950	3.3
321.14328	0.7
321.20813	0.4
322.11002	0.5
322.20282	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.0
60.29905	0.2
64.52361	0.2
69.03415	0.4
69.19937	1.6
70.06584	0.6
72.08139	0.5
84.04504	10.6
84.05009	0.6
85.02888	0.5
86.09718	0.2
95.08611	0.5
97.06474	0.3
98.22617	0.5
102.05542	13.5
103.05817	0.3
112.66158	0.2
117.03394	0.5
118.06536	0.6
124.61293	0.3
127.03909	0.6
128.04964	2.5
130.05011	1.8
130.06473	1.3
131.06868	1.8
132.04436	1.4
139.03908	0.4
139.63748	0.3
141.09079	0.4
145.02859	1.3
146.06006	100.0
147.04482	0.3
147.06346	3.6
148.06046	2.9
174.05510	18.7
175.05801	0.6
177.05510	2.5
191.08180	0.5
192.06569	6.7
221.34639	0.3
234.02167	0.5
234.11183	0.3
257.09174	1.0
275.10251	15.7
276.10657	0.9
277.15524	0.4
303.09698	3.3
304.10022	0.3
321.10364	2.6
322.21191	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14838	0.7
53.03902	0.7
67.05499	8.7
69.03408	0.8
70.65040	1.6
79.05491	1.5
81.07050	1.3
85.02901	0.9
89.91860	0.9
91.05488	1.7
93.07028	2.6
94.06571	9.4
95.04966	1.3
95.08626	1.0
96.44310	0.6
105.07060	0.7
107.08559	1.1
108.08076	1.0
109.02936	0.7
111.04504	1.1
111.05347	0.9
118.06541	1.0
122.06021	28.8
123.11755	1.0
136.07578	64.6
137.07892	1.7
140.07033	1.9
141.12694	0.8
146.05981	1.0
164.07065	100.0
165.07385	1.4
182.08133	76.3
183.08415	1.9
215.84665	0.7
237.15674	0.7
243.11259	1.1
258.11295	1.1
286.10611	1.3
289.11978	1.0
303.13211	1.5
304.11710	1.5
321.07690	2.6
321.14783	1.6
321.24551	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86827	0.4
67.05501	7.8
69.28661	2.4
70.84757	0.4
77.03911	0.6
79.05502	0.6
81.07056	0.7
88.40591	0.4
91.05488	0.9
93.07020	0.8
94.06564	8.9
95.04953	1.0
108.08133	0.6
115.88034	0.4
122.06026	30.4
123.06372	0.6
129.59346	0.4
130.06580	0.6
136.07570	60.0
137.07938	1.1
140.07030	1.3
146.06009	0.8
147.04443	0.4
159.09079	0.4
162.08998	0.4
164.07057	100.0
165.07401	2.7
169.15489	0.4
174.15681	0.4
177.05328	0.4
178.46518	0.4
182.08124	72.0
183.08487	1.8
189.06589	0.7
205.04906	0.5
258.11200	0.5
303.13220	0.4
304.11746	1.4
321.14117	1.0
321.18671	0.8
322.08344	0.9
322.20078	0.7
333.70242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1448
Annotation	Formylfusarochromanone
Peak:m/z	Relative Intensity
54.97511	0.6
57.03452	1.1
67.05525	0.9
70.06599	1.1
79.05486	0.8
81.03460	0.8
81.07082	0.9
84.04509	3.6
84.88577	0.7
85.02909	1.3
91.05473	5.6
95.04974	1.3
95.08590	1.5
102.05540	4.2
118.06551	1.9
119.04932	4.1
122.06030	5.7
125.05991	0.8
125.09610	1.1
128.04964	1.5
136.07578	1.2
137.05984	1.6
138.05566	1.1
139.05569	0.9
141.09114	1.7
144.08131	1.0
146.06012	33.2
147.04404	2.5
148.06136	0.9
148.11237	0.8
156.08128	1.0
160.07599	0.9
171.06747	1.1
172.07611	2.7
173.08482	1.0
174.05542	6.8
181.05017	0.9
183.06775	1.4
184.07585	6.6
186.05521	2.2
186.09251	1.1
188.07103	1.5
189.07872	2.3
192.06659	1.9
198.05577	1.1
198.09138	1.3
199.06339	3.0
200.06985	3.8
201.07915	2.1
203.08102	1.5
204.10210	2.3
212.07103	2.6
213.07884	2.5
214.08569	3.8
216.06673	1.6
216.10126	4.6
217.07426	1.1
226.08702	2.7
228.06564	1.6
230.08098	4.1
231.08928	3.9
232.09727	4.7
233.12856	1.9
240.06438	0.9
241.07454	2.1
242.08105	3.5
243.09001	1.6
243.11377	2.0
244.09698	44.6
245.06891	2.0
245.10167	2.3
246.11290	1.1
254.08142	2.0
257.06787	0.8
258.07645	2.1
258.11530	1.0
259.08429	1.2
260.09155	9.7
261.09927	0.9
261.12286	3.4
271.10770	1.3
272.09207	6.1
274.10709	5.4
275.10394	5.3
275.13959	10.7
285.12442	1.0
286.10797	2.0
289.08636	1.4
289.11853	25.7
290.12155	1.4
303.10089	1.3
303.13379	15.2
321.14484	100.0
322.14716	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	321.148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.48220	1.4
57.07047	1.4
59.08078	1.5
60.04522	2.1
61.01143	3.2
67.05501	4.7
70.06572	2.7
71.04996	1.7
72.04515	16.4
72.08159	2.1
78.03785	8.8
79.05502	3.3
81.07048	1.9
85.06557	2.0
86.06073	2.0
88.02203	3.6
91.05482	2.9
93.07046	2.4
95.04986	1.8
95.08583	2.9
99.05574	4.6
102.03759	8.0
102.05544	3.0
103.02165	31.0
105.07036	6.3
107.08587	2.8
109.10143	2.6
113.06013	2.8
114.03764	5.7
114.05520	43.4
119.07330	1.7
119.08637	1.5
120.04800	23.8
120.08129	1.9
121.10116	1.5
124.07607	4.9
131.06380	4.0
132.04774	9.5
134.09659	10.3
142.08675	4.7
146.05989	14.8
147.04393	3.8
149.07428	18.5
152.07077	10.1
159.05879	10.1
162.05818	1.7
162.09116	10.2
174.05750	8.9
175.03932	1.5
175.05356	1.5
175.14453	2.8
177.05470	5.5
179.65491	1.4
190.08604	2.3
191.08488	100.0
205.04886	2.8
230.71837	1.3
232.07016	1.4
261.12485	2.3
275.10831	1.5
275.87152	1.4
285.12332	1.9
303.13690	37.1
321.14047	2.6
321.17810	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	321.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43110	1.5
59.60598	1.6
67.05497	2.1
68.13557	1.8
71.46165	2.4
80.94847	5.2
81.07060	3.0
95.08636	2.3
104.99251	2.4
109.10150	2.4
119.61395	1.9
133.10107	1.9
135.11714	2.7
146.06036	1.7
147.11615	2.1
147.98268	1.6
238.93773	1.6
321.16727	100.0
321.20096	4.9
322.17163	3.9
327.47766	1.6
338.08536	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63669	2.0
69.64033	0.6
80.94855	0.9
112.27712	0.5
147.49149	0.5
178.14500	0.5
269.44476	0.6
309.31815	0.7
321.16730	100.0
322.17102	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	321.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.4
61.70594	0.9
67.05491	1.7
68.31847	1.1
69.07070	1.4
70.62527	2.1
72.17237	0.9
79.05486	2.2
80.94849	3.5
81.07066	2.3
83.11555	0.8
87.04465	1.1
87.93120	0.9
91.05489	1.7
93.07013	1.4
95.04980	1.9
95.08574	1.4
103.11569	1.0
105.07022	1.3
109.06564	1.3
121.02850	1.5
129.64590	1.2
131.08528	1.1
133.10136	1.0
145.10124	1.1
147.08061	1.1
219.13728	1.1
289.17883	1.1
321.16736	100.0
321.20151	5.3
322.16940	4.7
322.20294	1.7
325.82608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.181
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26205	0.3
63.02364	0.3
65.60702	0.3
67.05518	0.5
67.61715	0.4
69.07061	0.7
69.44961	1.4
70.02914	0.4
72.04509	0.6
79.91522	0.3
81.07064	0.9
82.80657	0.3
86.09701	3.1
89.03909	4.1
90.04275	0.3
91.05486	0.9
93.07022	0.4
95.08593	0.5
98.23384	0.5
102.05537	1.0
105.07079	0.4
109.10138	0.6
112.07632	0.4
117.03377	18.8
118.03716	0.6
128.10698	2.8
129.10255	0.8
134.03574	0.8
134.89172	0.3
135.04399	1.0
145.02846	53.0
145.13358	24.2
146.03198	1.2
146.06009	4.8
146.13739	0.6
147.04346	0.3
148.06085	0.5
149.05978	6.5
163.03889	0.6
171.11320	2.2
174.05464	0.9
177.05467	100.0
178.05817	2.9
186.05489	0.8
205.05000	0.4
226.81779	0.3
226.84334	0.3
233.11696	0.3
234.11127	0.3
321.09558	1.2
321.18115	9.8
322.21371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
61.12577	0.7
71.08119	0.8
79.00492	0.6
79.05492	0.9
81.07062	1.6
86.09707	100.0
87.10026	1.3
93.07060	1.3
95.08615	1.1
95.95194	0.7
102.05526	0.9
103.05455	5.0
105.07059	0.8
107.04982	1.2
107.08563	0.9
110.57845	0.7
119.08586	1.0
120.08105	97.6
121.08449	2.3
121.10134	0.8
128.10719	53.1
129.11041	1.3
131.04955	2.8
133.10115	1.0
146.05997	2.8
149.05936	1.3
156.10210	17.3
166.08640	64.3
167.08977	1.8
177.05550	0.9
230.21121	0.8
304.22610	1.0
321.16721	2.3
322.25797	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	321.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77203	2.5
55.01881	11.8
55.05513	52.7
57.03437	26.2
59.04995	2.9
64.70183	2.2
65.03937	2.5
67.05512	37.7
69.03419	6.8
69.07067	25.8
79.05498	43.9
80.94855	8.1
81.03434	4.1
81.07061	31.6
83.04971	8.4
83.08617	20.0
85.06560	2.8
91.05479	24.2
93.07050	31.2
95.04984	7.8
95.08605	14.8
97.06548	3.9
97.10176	40.6
104.99250	3.8
105.04530	3.3
105.07030	17.1
107.04969	10.1
107.08603	35.3
109.06506	8.1
109.10165	14.7
111.08055	4.7
117.07030	10.6
119.08601	21.1
121.06505	6.6
121.10140	16.5
123.08069	4.1
123.11713	3.1
125.09638	39.8
129.06976	4.8
131.04959	3.3
131.08589	11.6
133.10123	6.9
135.08041	23.5
135.11653	5.3
137.09621	11.3
142.01262	2.9
143.08589	4.0
145.06425	3.1
145.10114	8.2
147.11740	2.7
149.09560	5.2
153.09119	13.6
157.10146	3.2
157.12202	3.5
159.08070	44.5
159.11696	3.7
160.08792	3.3
161.09648	3.8
163.07561	7.8
165.12766	2.9
167.10648	3.0
169.10220	2.5
173.09596	4.7
173.13365	3.7
177.09193	3.0
185.09650	3.3
187.14795	3.9
203.12769	15.5
215.14325	6.4
233.15379	13.4
243.17590	3.6
253.15897	4.3
262.98193	2.6
271.16956	26.6
289.17972	100.0
290.18307	6.0
303.19601	2.5
321.20605	4.6
321.24390	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	321.2425
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
52.40912	1.9
53.03943	4.6
55.01857	8.2
55.05508	26.1
57.03423	9.2
59.04994	2.0
65.03928	3.8
67.05504	88.5
67.39059	1.8
69.03432	3.7
69.06718	1.9
69.07066	25.0
69.20004	4.0
69.20407	6.8
71.04987	21.4
77.03895	2.3
78.95108	2.2
79.05047	4.2
79.05489	69.7
81.03409	4.0
81.07055	100.0
82.07361	2.6
83.04974	20.0
83.08632	15.4
85.06520	7.4
91.05482	60.1
93.07043	52.0
95.04963	26.4
95.08026	3.6
95.08607	64.3
97.06523	29.9
97.10145	8.0
98.22771	4.4
99.08089	4.3
105.04503	3.2
105.07030	56.9
106.07358	2.3
107.04947	4.2
107.08594	34.7
109.06525	27.0
109.10156	19.4
111.08064	10.6
117.07018	13.0
119.08585	40.9
120.08920	2.3
121.06491	3.5
121.10138	28.8
123.07242	3.7
123.08070	41.4
123.11707	10.9
124.08365	2.6
125.09611	7.7
129.06970	5.7
131.08575	20.4
133.10138	31.1
135.08046	4.9
135.11705	14.4
137.09595	14.8
137.13246	2.1
143.08525	4.1
145.10117	20.0
147.11671	27.5
149.09587	6.9
149.13303	4.1
151.11162	13.3
157.10117	5.1
159.11708	11.6
161.09596	3.8
161.13237	13.1
163.11247	4.7
165.12694	7.8
169.10080	2.5
171.11649	8.7
173.13223	8.9
175.14824	6.0
177.12730	3.2
179.14291	6.5
183.11665	4.5
185.13249	3.9
189.12790	4.6
199.14659	2.2
207.13873	3.5
211.14795	3.4
213.16214	2.7
239.17924	7.4
247.20505	3.4
257.18979	10.3
275.20026	26.2
277.21713	3.9
291.23282	4.9
303.23227	16.3
321.16565	3.0
321.20392	4.7
321.24185	83.1
322.24500	6.5
325.10956	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	321.2427
Annotation	2alpha,9beta-Dihydroxy-3beta,8beta-oxido-1(15)-trinervitene
Peak:m/z	Relative Intensity
55.05507	6.8
57.07064	3.1
67.05496	4.7
69.07056	5.1
69.15244	3.2
69.15640	1.9
71.04996	1.3
71.08622	1.8
79.05495	4.8
80.94836	5.0
81.07047	8.2
83.04987	1.0
83.08607	4.0
85.06525	2.5
91.05475	2.2
93.07040	7.1
95.04972	1.3
95.08601	10.0
96.92241	1.0
97.06536	1.3
97.10152	1.6
98.22632	1.6
99.08096	1.5
104.99285	2.6
105.07031	3.3
106.17322	0.8
107.04942	1.3
107.08587	5.5
109.06521	16.4
109.10159	3.5
111.08095	2.3
111.63028	0.8
117.07018	0.8
118.90403	0.8
119.08572	4.0
121.10136	4.9
122.07301	1.7
123.08062	52.5
123.11716	1.3
124.08388	1.2
125.09652	0.9
131.08556	1.6
133.10115	3.2
135.08044	6.3
135.11705	1.7
136.08841	0.9
137.09589	3.3
139.11183	1.5
145.10088	1.6
147.11667	1.5
149.09616	2.0
151.11188	2.6
159.11707	2.1
161.13260	1.2
163.11250	1.0
165.12682	1.1
175.14803	1.5
177.16470	0.9
179.14307	43.5
180.14650	1.5
187.14661	0.8
190.07538	1.0
193.15796	1.3
247.16953	2.1
261.22311	1.1
262.98209	1.5
265.17990	15.9
275.19980	1.4
279.19583	1.1
303.23221	4.6
321.24228	100.0
322.24451	7.0
322.27435	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.055
Annotation	Unknow
Peak:m/z	Relative Intensity
81.37762	1.7
94.93015	7.7
95.48133	1.4
100.48613	1.5
112.89622	8.8
114.89395	3.9
121.10144	1.6
143.01793	2.0
190.01273	18.1
198.50003	1.6
206.88521	1.9
220.03743	2.8
247.62169	1.5
247.91232	7.6
248.89656	9.1
302.36584	1.7
313.67471	1.9
322.05496	100.0
323.05444	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	322.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97950	0.9
70.21370	2.7
83.49700	0.9
94.25800	0.9
94.93011	1.1
98.97614	1.9
112.89550	1.6
116.98628	1.3
120.02010	1.2
136.94002	4.2
146.60452	1.1
157.96295	1.2
190.01262	20.1
220.45679	1.0
248.03105	2.0
256.97650	4.6
264.06030	1.0
268.51065	0.9
277.00879	1.2
298.94583	1.0
298.98480	4.5
306.48666	0.9
322.05472	100.0
323.05750	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	322.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32869	2.3
58.97509	2.2
59.53918	2.4
60.08158	5.5
65.03934	4.3
68.99790	7.7
69.03430	7.3
73.02903	2.5
75.75478	2.6
81.03426	12.1
83.12605	2.9
85.02905	12.9
85.93848	2.7
87.05590	3.2
91.05472	4.2
93.03425	4.1
95.04982	4.8
97.02910	3.5
103.05508	3.0
109.02883	9.7
111.00813	6.0
111.04453	10.5
115.99995	2.4
121.02875	11.3
123.04427	21.2
127.03927	3.2
129.07027	3.0
130.06593	2.5
131.04926	6.8
132.08058	5.6
137.02383	7.4
137.05952	7.7
139.03896	27.0
142.03244	2.9
142.06512	18.2
143.07280	6.0
144.08116	7.5
145.06541	3.0
147.04420	9.8
149.02345	46.6
150.03134	66.1
151.03897	8.2
153.01834	32.6
155.03244	2.8
157.06532	3.9
160.04315	4.3
160.07588	49.9
161.02350	3.6
161.06010	6.4
163.03957	5.9
165.01848	6.1
167.03407	35.2
171.04364	3.3
175.03917	16.1
175.07541	7.3
178.02541	3.0
179.03410	35.9
184.15739	2.9
185.05934	9.3
189.05420	6.2
195.02901	33.8
201.05499	3.8
203.03400	9.7
203.07037	13.7
213.05460	18.8
216.04242	6.3
217.04893	5.0
231.06508	46.4
241.04950	11.9
245.04393	9.6
259.06030	68.9
260.06281	4.1
269.04398	5.4
287.05487	100.0
287.08615	5.1
288.05832	5.1
305.06598	10.6
310.47778	2.8
322.09616	9.6
322.12845	60.5
322.17596	20.3
323.10767	6.2
342.88669	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06594	9.0
60.08156	20.1
64.63033	1.6
70.02961	8.3
70.06601	2.4
71.01344	3.4
71.44534	2.5
72.08137	3.0
74.34711	1.6
84.08133	2.5
86.09686	2.3
87.05585	25.0
89.02383	1.9
91.05466	2.6
91.40137	1.7
98.97591	5.2
103.05448	17.0
105.06999	3.5
112.74231	1.7
113.03502	2.4
117.46381	1.8
119.04903	1.8
120.08139	2.1
121.06559	1.8
125.06011	1.7
129.07036	1.7
130.06538	2.7
131.04927	23.7
137.05972	10.9
145.02898	3.0
146.72743	1.9
148.07527	3.6
148.11232	2.7
177.05489	3.4
200.07077	2.3
204.06581	4.4
218.07971	2.0
231.54390	1.8
246.07649	7.7
248.16660	1.9
289.68918	2.2
298.94202	2.2
305.14966	8.0
322.17572	100.0
323.17795	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	322.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.8
57.03454	0.6
67.05521	0.8
69.03429	1.5
70.05981	1.0
70.06590	1.5
72.08157	0.9
79.05494	3.7
81.03423	1.0
81.07059	3.5
83.04972	4.2
83.08602	1.2
85.02911	5.2
88.03982	2.2
91.05486	2.5
94.06555	2.6
95.08649	0.7
97.02892	2.2
98.97564	1.8
99.00836	0.7
99.04465	0.6
104.03487	0.9
105.07024	1.4
107.08595	47.4
108.08898	1.3
108.87707	0.6
109.02924	0.7
109.06502	0.8
120.04449	1.3
125.06011	1.6
125.09631	100.0
126.09968	2.6
127.03939	0.9
137.05954	1.3
143.07056	2.0
145.02847	1.4
145.04945	0.8
146.06009	12.6
147.06300	1.0
147.15065	0.9
148.03894	0.9
148.11192	1.8
160.07619	1.7
162.05557	0.8
168.13832	0.7
174.04108	1.2
174.05527	5.6
177.05472	1.8
202.03467	0.7
211.18921	0.6
212.18597	0.7
245.09984	0.9
258.99658	1.0
277.01016	0.9
286.16531	0.8
291.11160	1.1
304.17545	1.1
305.15170	0.8
314.36115	0.7
322.14578	2.0
322.20129	1.4
323.10760	3.1
323.19943	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18007	1.3
56.96567	1.4
67.90829	1.2
69.03416	2.5
69.53791	4.3
70.06602	1.5
72.08134	2.3
72.15267	1.3
79.05499	3.4
81.07063	2.7
83.04963	2.2
83.08620	3.0
85.02908	5.9
86.09689	1.7
91.05475	1.7
94.66708	1.6
97.02898	1.6
98.97588	3.1
105.06972	2.0
107.08588	49.5
116.98638	1.7
120.08109	5.2
125.09628	100.0
126.09990	4.1
137.05991	1.3
138.09158	2.1
143.07022	1.7
145.02916	7.4
146.03178	2.8
146.06006	4.1
160.07544	11.0
177.05441	7.5
178.05779	4.8
185.07870	4.2
236.09467	1.4
248.16518	1.9
259.00018	1.6
277.00964	1.8
322.12830	1.9
322.16254	25.5
322.20276	8.1
323.16602	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	1.9
65.55499	1.0
69.03428	3.3
69.55791	4.0
70.06581	1.4
78.49529	0.8
79.05493	3.6
81.03427	0.9
81.07048	3.6
83.04977	3.0
83.08597	1.7
85.02905	7.7
85.06569	1.0
87.04484	1.6
88.03975	1.6
89.56548	1.1
91.05465	2.8
94.06564	1.8
97.02896	2.9
97.10173	1.3
98.23487	1.3
98.97595	2.1
102.84532	0.8
105.07029	1.5
107.08595	47.5
108.08920	1.6
109.06574	1.4
116.98629	1.7
120.08138	1.1
125.09632	100.0
126.09991	2.1
127.03923	2.4
137.06000	2.9
142.06517	3.2
143.10683	1.2
145.02821	1.5
145.04913	1.8
146.06024	7.4
147.04439	1.1
153.98535	1.0
160.07579	37.9
161.07883	1.1
174.05519	3.2
177.05438	2.6
183.26302	0.9
248.16426	1.2
258.99701	1.3
277.00821	1.6
304.17648	1.0
322.13080	2.6
322.20258	4.4
323.09824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2014
Annotation	Croomine
Peak:m/z	Relative Intensity
53.03940	3.5
54.66676	0.9
55.01864	3.3
55.05513	17.8
62.06081	1.8
65.03948	1.4
67.05508	6.9
69.03436	2.7
69.07064	2.2
69.56799	1.7
69.57140	2.8
70.02957	4.2
70.06607	0.9
79.05493	37.6
79.37714	0.9
80.05006	0.8
80.05816	0.9
81.03432	2.3
81.07057	100.0
82.07394	1.7
83.04984	11.1
83.08617	6.7
91.05489	7.1
93.07018	4.5
94.06538	1.6
95.04971	3.5
95.08604	3.0
96.04509	1.2
97.10163	9.5
97.42135	0.8
98.97581	6.4
105.07033	2.8
106.06576	2.6
107.04961	4.1
107.08580	6.4
108.04521	1.6
108.08121	1.6
109.06521	55.2
109.10156	1.5
110.06856	1.2
112.15287	0.9
115.05446	2.9
116.98653	3.3
117.07024	3.8
118.06583	1.0
119.04950	1.1
119.05875	0.8
119.07307	1.2
119.08574	1.3
120.04489	1.3
120.08112	1.5
125.09638	8.1
131.08560	1.3
132.08110	1.3
133.05202	0.9
134.05998	1.2
134.09630	3.3
134.99701	1.5
135.08066	3.7
142.23981	1.0
144.19160	0.9
145.06471	1.2
146.06024	1.8
147.06770	0.9
149.06026	1.1
152.10699	26.2
158.09575	1.1
159.11642	1.1
162.09157	4.8
162.12711	1.0
164.92104	2.4
165.10980	0.9
174.09157	4.1
176.10617	1.7
176.14406	1.5
222.14925	7.2
248.16786	1.0
258.18600	3.0
258.99808	5.0
268.16940	1.3
269.15051	1.1
276.19635	3.3
277.00800	3.4
280.93835	1.0
286.17993	7.8
304.19119	14.5
304.22440	1.6
305.20688	1.3
321.30780	1.3
322.16614	1.5
322.20148	3.0
323.18201	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.6
53.03955	8.2
55.01873	3.2
55.05515	27.7
56.05026	2.0
57.07073	4.7
59.05003	2.4
62.06094	2.4
65.03946	6.2
65.53658	1.6
66.70510	1.6
67.05509	54.7
68.05843	1.7
69.03435	2.0
69.07070	49.4
69.07446	2.5
70.02045	4.0
70.06609	1.7
70.90637	1.4
71.04999	2.6
73.06562	3.4
73.68468	1.5
77.03938	2.8
79.05500	86.4
80.05022	9.9
81.07062	100.0
82.06599	4.2
83.04990	4.8
83.08618	12.2
85.06547	7.1
89.06048	4.9
91.05487	59.4
91.06055	3.4
92.05014	5.2
93.05816	8.1
93.07051	52.4
94.06583	7.2
94.07361	1.4
95.04977	17.4
95.08611	26.6
96.04502	2.2
96.08162	1.9
97.06553	5.6
97.10188	5.9
98.97569	2.1
99.08096	2.9
105.04535	5.6
105.07034	27.7
106.06573	11.7
107.08585	20.0
108.08122	38.5
108.08829	2.6
109.06512	3.4
109.10179	6.0
111.08086	3.0
115.07544	1.7
117.07033	11.3
118.06560	7.5
119.08587	18.7
120.08087	7.4
121.10174	15.4
122.09672	2.4
122.10535	1.8
123.08096	3.3
123.11730	9.9
123.73386	1.5
124.07606	2.5
125.09571	1.9
129.06992	3.4
131.07266	1.8
131.08592	7.5
132.08064	8.6
133.08983	1.6
133.10135	8.5
134.09685	6.1
135.11711	3.4
141.06989	2.2
143.08597	3.1
145.10162	4.2
146.09694	5.1
147.10555	3.4
147.11671	19.5
148.11200	20.6
149.13356	2.4
150.12778	2.3
151.09686	5.6
157.10147	3.4
159.11717	4.2
160.11177	2.9
162.12819	4.4
165.12730	7.5
169.10184	2.2
171.11731	1.8
176.14369	11.0
186.12801	6.0
204.13821	13.5
216.17616	2.0
217.16010	1.5
222.14897	16.8
235.01027	1.7
245.37250	1.8
248.20174	2.3
272.20181	6.4
276.19531	4.0
304.22739	73.5
305.23132	5.3
322.23798	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	322.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.5
57.07071	1.2
59.04977	0.8
60.04519	1.8
62.06089	100.0
63.06422	0.6
67.05502	16.9
69.07066	4.2
69.32398	1.9
79.05490	12.7
81.07054	17.1
82.94592	0.9
83.04990	0.7
83.08626	2.2
85.06531	0.9
85.10157	0.8
88.73726	0.6
91.05465	4.9
93.07044	13.7
93.07603	0.9
94.07369	0.9
95.04974	0.9
95.08605	14.3
95.56440	0.6
98.05993	0.7
98.07471	0.5
98.97604	2.8
99.08105	0.9
105.07047	3.3
107.08592	8.1
109.06546	0.7
109.10157	5.5
111.08083	0.9
114.56813	0.6
116.98648	1.9
117.07059	1.6
119.08601	2.8
121.10151	7.3
123.08125	0.7
123.11734	2.6
125.09647	0.7
130.08655	1.0
131.08545	3.0
133.10133	1.8
135.11668	3.7
137.13269	1.0
145.10130	1.7
147.11726	1.7
149.13257	1.8
158.11766	1.8
159.11732	1.8
161.13292	1.2
163.14854	2.3
164.92136	0.7
172.13303	1.1
173.13290	1.5
177.16425	2.7
184.13359	0.8
186.14931	1.3
187.14764	1.0
200.16451	0.8
214.18103	0.6
219.21043	1.2
228.19576	0.8
228.53040	0.7
240.19649	0.8
243.21118	4.9
255.90515	0.6
256.22675	0.7
258.99841	2.8
261.22162	6.9
262.22339	0.6
277.00894	2.6
304.26422	1.7
305.24744	2.0
322.21057	1.4
322.23737	1.1
322.27396	23.6
323.27850	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86741	0.7
55.05508	4.0
56.05839	0.9
56.44944	0.7
57.07084	1.8
60.04522	1.5
62.06091	100.0
64.92741	0.7
67.05504	14.9
69.07066	4.3
69.11193	5.1
71.04980	0.9
71.08629	0.9
72.54995	0.7
79.05493	11.0
81.07059	14.8
83.08643	1.7
88.54370	0.9
89.06011	1.3
91.05483	4.0
92.82813	0.8
93.07043	11.6
93.07600	0.9
95.04994	1.5
95.08609	12.5
97.10165	1.1
98.97610	2.9
105.07068	2.7
107.08591	7.0
109.06462	0.7
109.10163	4.5
116.98615	1.3
117.07034	1.3
119.08598	2.5
121.10149	5.1
123.11733	2.5
131.08604	1.6
133.10143	2.0
135.11729	2.4
144.10239	1.0
145.10132	1.7
145.43597	0.7
149.13290	1.9
151.09686	1.0
152.73566	0.7
158.11732	0.9
159.11719	1.5
161.13306	1.1
163.14833	1.2
173.13235	1.1
175.18060	0.8
177.16431	0.7
186.14938	1.2
187.14949	0.8
201.16510	0.8
214.18141	0.7
243.21173	2.0
258.99902	2.5
261.22205	3.4
277.00885	2.6
304.26578	2.6
305.24463	1.6
322.27399	12.4
322.30731	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96569	1.0
56.96570	6.9
60.42371	1.0
69.71839	3.6
71.69983	0.9
72.34659	0.9
72.55001	0.8
90.40025	0.9
98.97584	100.0
101.00926	1.3
102.96903	1.1
103.00632	1.0
116.98621	37.0
119.01943	1.7
121.01649	1.0
134.99643	8.7
144.25967	1.0
145.01659	1.2
147.03146	1.0
156.97482	3.7
177.00911	1.9
178.01056	2.3
179.00739	3.0
179.94569	1.3
191.02287	1.4
197.95573	1.1
198.98526	3.6
202.01054	1.7
203.00690	2.0
214.96465	6.0
215.96552	8.9
216.96367	6.0
219.02011	10.4
220.02130	18.7
221.01733	14.4
221.95573	1.1
222.02071	2.1
222.98506	2.3
223.01736	1.3
238.96521	2.3
239.96643	5.4
240.96410	2.4
240.99081	6.6
256.97592	28.8
257.97675	62.4
258.97354	33.7
258.99823	61.2
259.97519	1.2
259.99902	5.0
261.00232	2.0
261.02985	8.0
263.00375	1.1
263.02817	5.1
263.96518	1.2
276.94162	9.0
277.00821	67.0
277.03857	2.2
278.01004	3.4
279.00891	1.3
280.94473	1.2
280.97495	1.5
281.97726	4.5
282.97311	2.5
283.00302	1.3
284.99850	6.3
286.99463	2.1
296.95480	1.3
297.97342	1.2
298.98611	9.7
299.98740	65.9
300.98441	27.9
301.01428	1.9
303.00882	6.7
305.00797	3.4
317.93713	1.3
322.97125	3.2
323.00668	1.4
323.99811	1.5
335.94565	1.3
340.96619	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	323.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07029	1.3
70.64536	1.7
70.64883	2.1
81.03424	1.4
81.07084	1.6
81.30567	1.4
98.97588	6.3
116.98621	3.2
125.06182	1.6
127.07554	2.5
133.18921	1.3
140.63106	1.4
145.08641	2.8
180.97919	3.3
185.04228	1.7
188.70274	1.4
198.98907	2.7
224.66693	1.4
258.99792	2.0
277.00769	3.5
323.07669	3.9
323.10986	100.0
324.11392	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	323.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37321	0.7
65.03924	0.8
72.08150	10.2
76.07615	0.7
91.05488	2.5
98.97598	3.9
99.08091	1.3
116.98640	1.7
117.03391	4.0
119.04923	2.0
121.55656	0.8
122.09305	0.8
127.07514	3.8
130.12274	5.8
137.05977	7.2
138.06296	6.1
145.02844	12.0
145.08620	1.3
147.04411	4.6
147.14917	9.1
149.05980	1.2
162.05510	2.0
164.92039	0.8
166.86316	0.7
169.04982	1.0
177.05455	16.8
194.07800	0.8
247.14453	0.9
258.99771	2.1
277.00934	2.0
305.15485	0.9
306.10318	1.2
306.17029	1.1
323.10995	100.0
323.19226	7.8
324.10608	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	323.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.5
55.05513	1.2
57.03431	0.9
66.09307	0.4
67.05510	2.0
69.07053	0.5
71.05002	0.8
75.88104	0.4
77.83419	0.3
79.05490	1.9
81.03414	1.1
81.07058	1.5
83.04931	0.4
83.08614	0.6
85.02974	0.3
89.37265	0.4
91.05484	1.8
93.07040	1.8
95.04963	1.3
95.08611	2.5
97.10166	1.1
98.97564	2.6
100.56473	0.4
105.07047	0.9
107.04948	1.6
107.08584	1.4
109.06517	1.0
109.10172	0.7
111.08079	0.4
116.98641	1.4
117.07043	0.8
119.08623	0.7
121.06503	1.3
123.08084	0.8
125.09639	0.8
131.08603	0.5
133.06540	0.6
134.99634	0.8
135.08046	2.4
137.06030	0.8
137.09633	0.4
149.05960	0.7
149.09607	1.0
151.07513	0.5
152.02319	0.4
153.09116	0.7
161.09596	0.6
164.92072	0.7
167.10628	0.4
173.09666	0.4
180.97797	0.8
189.11322	0.7
191.10692	0.4
198.98961	0.5
213.01411	0.3
249.11003	0.9
249.14915	0.5
251.05751	1.2
258.99768	2.3
259.16953	0.4
269.15573	0.5
277.00757	2.7
277.17960	0.4
287.16458	1.4
305.17499	3.1
323.14651	100.0
324.15009	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	323.1854
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
53.03942	2.1
55.01878	6.1
55.05516	16.9
57.03442	5.6
57.07080	2.2
59.05005	6.7
67.05508	19.6
69.03426	3.6
69.07079	4.1
69.54343	4.1
69.54716	4.3
79.05496	17.2
81.07063	42.2
82.94556	2.5
83.08605	8.7
85.02876	1.9
91.05471	13.8
93.07047	19.3
95.04972	3.9
95.08591	9.7
97.10178	12.8
98.23397	2.2
98.97585	17.5
103.05505	2.2
104.99282	1.9
105.04577	2.4
105.07024	5.5
107.04980	4.4
107.08594	9.5
109.06535	30.3
109.07240	3.2
109.10165	13.0
116.98619	11.8
119.08598	7.5
121.06503	8.8
121.10179	3.7
123.04447	5.4
123.08080	16.1
125.09628	12.5
131.08519	2.4
134.99655	4.6
135.08052	16.5
137.09639	4.9
143.08647	1.9
147.08102	3.8
149.05983	100.0
149.09601	2.8
150.06461	1.7
155.10634	4.2
159.08098	2.7
161.09685	2.1
164.92053	3.7
173.11726	22.0
175.07574	4.0
177.09042	1.6
180.97739	2.0
183.10172	4.7
183.39711	1.7
189.11235	7.7
198.98955	3.7
205.85587	1.6
207.11893	1.7
231.13863	3.8
258.99780	16.2
277.00790	17.5
277.18036	5.2
282.01218	1.9
287.16449	11.8
300.02567	2.8
305.17535	31.0
305.20908	3.3
323.18378	30.6
323.22165	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	323.1855
Annotation	beta-Zearalanol
Peak:m/z	Relative Intensity
55.01873	8.8
55.05510	14.8
57.03441	11.8
67.05508	18.9
68.99806	3.4
69.03423	7.5
69.07073	8.4
69.87399	6.3
71.04984	3.0
79.05490	20.2
81.03419	5.3
81.07060	18.8
83.01366	5.2
83.04979	9.1
83.08625	5.9
85.06534	2.5
88.75975	2.0
91.05484	11.7
93.07043	12.9
94.08304	1.8
95.04974	10.1
95.08632	10.4
97.06528	5.8
97.10158	12.0
98.97577	23.0
105.07030	13.5
107.04957	11.8
107.08593	11.8
109.02906	1.9
109.06528	13.1
109.10165	4.7
111.04461	8.9
111.08067	2.8
116.98631	12.5
117.07024	4.9
119.05037	2.0
119.08580	6.9
121.06518	14.5
121.10159	3.8
123.04428	7.9
123.08077	5.3
125.06042	2.3
125.09591	8.9
129.06967	4.2
131.08607	5.7
133.06477	4.7
133.10173	3.8
133.89311	1.8
134.99660	7.7
135.08047	32.9
135.11649	2.8
137.05975	7.8
140.00208	1.9
143.08586	2.5
147.08080	6.3
147.11665	3.2
149.06006	4.8
149.09700	4.7
151.07562	4.0
152.43109	1.8
153.09134	4.5
157.10156	4.0
159.08003	2.0
159.11714	3.4
161.05986	4.3
161.09641	2.3
163.11206	2.3
164.92055	3.1
165.09192	2.7
171.11659	3.3
175.07620	8.1
175.11224	5.6
177.09120	3.1
180.97824	3.5
189.09229	2.6
189.11227	6.0
193.12331	3.4
198.98831	3.3
205.12405	2.1
221.11777	4.7
231.13815	7.0
231.17485	2.9
233.11771	2.3
235.13226	3.3
239.12770	2.9
241.15912	4.0
249.14868	13.6
258.99866	14.7
259.16968	6.1
263.16602	2.2
269.15283	3.3
277.00864	20.3
277.17978	19.1
287.16382	21.1
305.17474	100.0
306.17807	7.4
323.08948	2.2
323.14703	3.0
323.18433	36.8
323.21936	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51832	0.3
73.45968	0.3
86.09699	2.6
91.05477	0.7
98.60373	0.3
98.97576	1.4
103.12332	1.3
104.06242	0.3
105.07042	0.5
107.04977	0.3
116.98611	0.8
119.04940	0.9
126.46339	0.3
129.10254	0.5
130.04156	1.4
131.04901	0.5
131.08502	0.3
132.05704	0.9
133.06470	0.5
135.04404	0.8
146.05994	1.4
147.04399	4.5
147.06281	0.5
148.05154	0.7
148.06638	0.3
149.05951	0.7
150.06738	0.8
160.05183	1.3
161.05934	1.3
162.06764	6.0
163.02635	0.5
163.03900	5.1
163.07497	1.3
165.09192	0.3
173.05992	0.3
174.03081	0.5
174.05435	0.3
175.03925	3.9
176.04652	1.7
177.05478	1.6
178.06268	6.1
180.97900	0.3
188.04665	0.6
189.05458	2.1
190.06248	21.5
191.03387	6.0
191.06979	2.1
192.03986	0.4
193.08609	14.7
198.98955	0.4
205.04909	0.4
206.05740	6.6
221.08081	100.0
222.08426	4.2
258.99771	1.1
277.00824	1.5
292.63306	0.3
305.15173	0.3
306.16940	0.4
323.05417	0.4
323.19635	25.0
324.19901	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06597	1.2
64.87536	0.7
70.06601	1.9
72.08153	8.5
82.06599	0.9
83.04985	1.0
83.08598	0.9
84.08140	7.8
85.02892	2.2
85.19067	0.7
89.03911	2.6
91.05468	2.5
99.09213	0.8
101.10802	4.1
101.94422	0.8
107.08593	6.3
108.08926	7.7
111.04432	0.9
117.03372	16.8
119.04944	7.3
125.09642	12.6
126.09079	1.1
126.09961	11.7
130.12282	8.9
135.04413	1.5
141.10201	0.8
143.11790	1.8
145.02847	67.5
146.03204	1.3
146.05986	1.5
147.04411	47.0
147.14886	6.9
148.04727	1.3
149.05984	5.6
161.07983	1.4
161.12880	1.3
161.87593	0.9
163.03896	3.6
164.07066	1.4
173.12845	1.9
177.05473	100.0
177.12369	2.4
178.05803	3.8
186.05548	1.0
198.86670	0.9
205.43719	0.8
221.08157	1.5
229.94319	0.9
230.08199	1.1
234.11244	33.5
235.11635	1.3
244.28148	0.8
247.14413	14.8
248.09201	3.3
248.12842	3.1
273.15927	2.2
279.16049	1.3
291.17053	7.1
305.14880	1.9
323.19635	77.9
324.10898	1.0
324.19955	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03950	4.6
55.01870	14.1
55.05508	20.6
57.03436	25.7
63.29316	4.5
67.05501	48.0
69.07063	11.6
69.55324	11.1
69.55709	14.0
71.04988	6.8
71.08633	8.2
74.13735	5.2
79.05485	32.2
81.07056	60.7
82.94533	6.1
83.00855	4.5
83.04983	28.0
83.08630	8.7
85.06535	35.6
91.05473	23.8
91.36630	5.2
93.07038	35.7
95.04971	48.7
95.08608	21.5
96.97627	4.5
97.06541	8.6
97.10183	8.0
98.97580	51.5
99.08134	7.1
99.31086	7.6
105.07021	18.3
106.45556	4.7
107.04958	5.5
107.08594	20.9
109.06506	54.7
109.10173	7.5
111.04468	27.5
111.08100	15.9
113.06003	100.0
116.98620	28.8
117.07041	10.7
119.08607	27.9
121.06494	15.3
121.10178	13.9
123.08067	9.2
127.07497	5.1
129.07060	7.9
131.08565	17.7
133.10133	13.3
134.99660	13.4
135.08047	36.0
135.11758	12.0
143.08551	9.0
145.10101	14.2
147.08069	13.9
149.09587	9.8
153.12785	6.8
155.08630	8.3
157.10132	9.7
159.08061	6.3
163.11224	22.2
164.92055	10.6
165.12799	14.2
171.11729	6.8
179.14413	5.1
181.12256	13.6
189.11203	6.5
191.10640	11.3
204.84508	5.5
213.12787	9.5
217.15953	8.5
227.12822	17.5
240.61313	4.8
249.14952	6.6
255.17357	6.5
258.99710	39.2
273.18378	23.5
277.00815	47.9
282.01462	8.5
287.20084	9.2
291.19537	96.6
300.02200	5.5
305.21051	22.2
324.28571	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.9
55.01870	3.8
55.05514	13.5
65.03931	3.1
66.17268	1.5
67.05506	34.6
69.03432	2.1
69.07069	7.7
69.11228	4.1
69.11649	6.1
71.04995	17.5
73.06551	1.6
78.84141	1.4
79.05492	35.7
80.05017	1.3
81.03411	2.3
81.06624	2.0
81.07060	21.8
83.05005	2.9
83.08627	6.2
85.06566	1.9
91.05483	23.9
93.07046	26.0
95.04956	6.6
95.08607	29.9
96.08942	1.2
97.06516	2.0
97.10174	3.5
98.97572	11.7
99.08105	3.0
105.04541	1.6
105.07039	12.6
107.04958	100.0
107.08586	17.0
108.05281	2.6
109.06516	3.8
109.10152	34.1
111.08099	2.7
116.98625	5.3
117.07021	8.1
119.08586	28.5
120.08883	1.6
121.10151	8.7
121.58955	1.3
123.08080	1.9
123.11669	1.9
125.09625	4.2
129.07013	2.4
131.08543	7.1
133.06490	2.1
133.10121	4.9
134.99728	1.5
135.08046	33.3
135.11694	4.0
136.08397	1.7
137.09624	23.2
143.08553	2.2
145.10133	8.0
147.08044	6.1
147.11682	2.5
149.09679	3.3
149.13206	1.7
155.10617	8.1
157.10138	5.1
159.11656	1.6
161.09641	4.6
161.13283	1.9
165.09129	2.0
169.12238	3.1
171.11646	2.1
173.11757	23.9
173.13225	2.6
175.11203	2.5
187.13364	3.4
227.17982	2.3
245.19029	6.3
258.99759	6.4
273.18503	25.2
277.01004	8.0
277.03650	1.5
277.21649	16.5
287.20074	1.6
291.19525	15.3
305.21106	6.0
323.22324	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01873	4.3
55.05514	20.2
57.03426	1.9
57.07076	0.9
58.21189	0.6
59.23967	0.5
62.06084	5.1
63.06422	0.5
63.99030	0.5
66.08119	0.6
67.05506	12.5
67.05856	0.6
69.03429	3.9
69.06714	0.8
69.07072	14.1
69.69334	0.5
69.89949	1.7
71.04977	1.1
77.57428	0.7
79.05499	14.6
80.05851	0.8
81.03415	1.9
81.07059	12.1
81.42755	0.7
83.04978	1.6
83.08618	10.1
85.06570	0.6
91.05484	7.9
93.07042	9.8
94.04217	0.6
95.04993	4.6
95.08612	5.6
96.08922	0.7
97.02884	2.9
97.06538	1.7
97.10174	17.9
98.97581	2.5
105.07042	6.8
107.04977	3.7
107.08584	10.8
109.06522	1.9
109.10168	3.9
111.08089	1.8
113.51282	0.6
115.05433	0.6
116.98597	1.3
117.07016	4.1
119.04941	0.9
119.08576	7.7
121.06500	2.2
121.10152	3.0
123.08077	3.8
125.09637	15.0
129.06995	1.6
131.08585	4.8
133.06532	2.5
133.10139	2.6
135.08075	4.7
135.11734	1.2
137.09605	1.4
139.11096	0.7
143.08566	1.5
145.10143	3.9
147.08032	3.6
147.11710	2.4
149.09639	1.5
151.11224	0.6
153.09109	2.6
157.10117	1.7
157.12169	0.9
159.11710	1.5
161.09627	1.7
162.10457	1.0
163.11169	0.9
165.09119	2.0
171.11665	1.1
175.03860	0.6
175.11171	1.8
189.11255	0.9
193.12300	0.9
199.11177	0.7
203.12764	6.4
221.11678	0.9
223.13293	10.3
237.14804	1.5
245.19038	1.8
249.14810	1.3
255.17500	1.2
258.99841	1.6
263.20129	1.2
273.18448	8.3
277.00778	1.7
291.19553	100.0
292.19806	6.4
305.21136	17.9
305.24741	0.7
306.21429	1.2
323.22180	2.7
342.85947	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
55.01883	16.3
55.05514	59.2
57.03434	9.4
57.07071	6.9
57.70506	3.3
59.04999	3.1
61.23125	3.0
64.39063	2.6
65.03949	5.3
65.55685	2.9
67.05504	91.5
68.05848	3.4
69.03420	4.0
69.07070	34.1
69.73178	11.1
70.06594	6.5
71.04993	4.8
71.08618	10.6
79.05498	55.5
81.03430	5.4
81.07059	95.2
83.01332	3.7
83.04984	100.0
83.08638	18.6
85.06539	9.4
91.05482	56.1
93.07047	78.0
95.04968	23.0
95.08617	48.4
97.06548	12.7
97.10168	7.7
98.97593	10.9
99.08112	15.5
105.04496	5.0
105.07039	54.1
107.04942	15.0
107.08595	52.3
109.06522	19.7
109.10149	50.3
111.04441	7.8
111.08076	16.1
115.83051	3.7
116.98627	5.8
117.07011	13.8
119.08591	22.3
121.06502	23.2
121.10162	24.5
123.04429	7.6
123.08074	13.9
123.11707	15.3
125.09615	7.0
129.07016	9.7
131.08588	18.7
133.06471	16.6
133.10126	84.0
134.10458	3.0
135.08073	13.5
135.11690	17.2
137.06041	4.3
137.09630	10.3
139.07526	11.3
143.08516	8.6
145.10118	17.3
147.08054	13.1
147.11684	12.2
149.09621	19.4
151.11183	65.6
151.12395	3.2
157.10098	8.1
159.08090	6.0
159.11700	8.9
161.09604	12.6
161.13200	9.0
163.11214	4.9
163.14870	4.8
165.09106	4.0
167.10616	3.5
170.04832	3.3
171.11676	9.1
173.13286	5.3
175.11200	11.9
177.09084	12.2
177.12758	4.2
179.10655	4.4
183.13861	22.7
185.13304	3.4
189.12738	6.9
193.96443	3.7
203.17967	4.5
207.13867	5.7
217.12181	4.0
217.19493	3.4
219.13918	3.0
227.17844	4.9
235.16844	3.3
245.19014	21.8
255.17461	6.1
258.99750	5.7
263.20074	16.9
273.18506	40.0
274.18927	3.4
277.00836	8.1
277.21671	9.9
291.19537	82.3
305.21030	13.7
323.08566	5.7
323.22144	36.7
323.25494	3.8
344.57968	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	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.5
53.03946	17.8
55.01874	9.9
55.05510	13.6
56.96552	1.8
57.03428	4.3
65.03949	2.3
67.05503	43.6
69.07068	12.3
70.15019	3.9
71.04992	12.4
79.05495	42.1
80.94858	1.6
81.03413	36.7
81.03894	2.2
81.07055	100.0
82.07396	1.8
82.94551	1.9
83.04985	9.8
83.08612	10.3
83.92761	1.4
85.06535	8.8
91.05488	21.7
93.07045	56.8
95.01317	1.6
95.04971	19.7
95.08603	32.5
97.06544	9.4
97.10147	7.7
98.22752	1.7
98.97591	19.2
99.08057	2.9
103.05450	1.5
105.07030	18.0
105.07668	2.6
107.04957	25.3
107.08601	24.6
109.06515	52.2
109.10156	4.5
111.04435	2.7
111.08089	9.2
113.06019	4.0
115.05496	1.8
116.98616	9.6
117.07031	15.8
119.04922	2.6
119.08591	11.0
121.06512	5.9
121.10126	12.1
123.04417	3.0
123.08072	18.2
125.09620	6.6
129.07001	4.1
129.52475	1.5
131.08574	19.7
133.06506	2.3
133.10103	13.3
134.10510	1.6
134.99710	3.0
135.08051	17.1
135.11684	24.3
137.09598	4.1
141.07002	6.0
143.08572	5.0
145.06487	9.7
145.10132	12.5
147.08109	2.7
147.11690	4.5
149.09605	6.1
149.13260	18.4
157.10126	5.1
159.08040	3.6
159.11682	26.5
161.09608	5.8
161.13280	2.0
163.11188	10.4
164.92029	6.7
165.09073	2.3
167.10716	2.6
169.10092	7.1
175.11098	2.9
177.12726	27.2
178.13156	1.6
179.27344	1.4
180.97852	3.8
185.13226	2.7
187.11180	15.1
193.12270	3.1
198.98811	3.1
199.14774	2.3
201.12782	3.0
203.12679	2.6
203.14343	2.1
205.12210	5.8
209.15367	9.3
217.15955	7.0
221.15436	6.7
227.17918	2.4
233.15239	3.1
235.20599	1.5
237.16525	2.2
255.17572	3.3
258.99777	12.5
273.18439	20.8
277.00845	15.7
291.19547	13.4
305.21109	66.4
306.21396	6.5
323.14786	2.8
323.18304	11.1
323.22122	23.6
323.25729	2.0
324.25089	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	323.2219
Annotation	4alpha-Hydroxy-18-norgrindelic acid
Peak:m/z	Relative Intensity
55.01870	4.0
55.05512	14.1
57.03422	4.1
57.07077	1.4
59.05017	1.6
61.63114	1.1
65.03942	1.2
67.05505	16.4
69.03422	4.5
69.07060	9.0
69.19336	2.7
69.19749	5.0
71.04996	2.5
71.08643	1.3
73.06555	2.6
79.05497	12.2
81.07053	14.4
82.94538	1.7
83.04990	3.0
83.08620	4.3
85.06552	3.0
91.05492	12.7
93.07049	12.9
95.04964	6.3
95.08605	13.0
97.06528	4.9
97.10168	3.3
98.97581	9.9
99.08108	2.2
105.07047	11.9
107.04988	2.4
107.08588	11.4
109.06523	7.3
109.10143	3.9
111.04440	3.0
111.08099	2.5
113.06006	9.6
115.05511	1.6
116.98636	5.2
117.07016	5.3
119.08591	10.5
121.06496	12.3
121.10142	3.8
123.04412	1.7
123.08080	4.0
125.05989	4.9
125.09621	1.6
126.06792	3.8
127.32229	1.1
129.07010	4.1
131.08534	9.3
133.06462	3.1
133.10133	6.5
134.99677	1.6
135.08029	11.6
135.11668	2.8
137.04935	1.1
137.05995	4.7
137.09621	4.3
139.07512	2.1
142.07758	1.3
143.08542	6.1
145.10132	8.1
147.08051	6.8
147.11694	5.1
149.09593	3.6
149.13147	1.6
149.86423	1.3
151.07565	3.1
151.11215	1.2
153.09138	1.7
157.10098	4.4
159.08072	2.1
159.11658	2.3
161.09595	7.9
161.13324	2.1
163.11232	3.8
164.92120	1.4
165.09071	2.5
165.12651	1.8
169.40536	1.2
171.11656	2.8
173.09665	2.3
173.13272	2.0
175.11208	5.4
177.12787	3.1
179.10674	1.5
181.12141	1.7
185.13376	1.4
187.11298	1.4
189.12720	3.2
191.14276	2.0
193.12253	2.3
199.11061	1.4
205.15858	3.3
207.13832	6.1
208.14532	1.9
227.17787	2.8
237.14758	1.7
245.19077	3.8
249.14793	1.6
258.99722	6.8
259.20612	2.8
263.16434	4.3
273.18439	9.0
277.00809	7.6
277.21658	5.2
287.19989	4.5
291.19434	7.0
300.02209	1.3
305.21106	100.0
306.21530	7.2
323.15936	47.6
323.22049	3.4
323.25638	2.6
324.16409	4.3
324.28629	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	17.9
55.01877	10.1
55.05513	14.2
57.03439	12.3
59.04994	2.1
65.03937	1.7
67.05504	41.3
68.05828	2.3
69.03441	3.9
69.07075	7.5
69.90679	5.3
71.04990	9.9
73.04253	1.6
73.06570	1.7
74.93065	1.9
77.03954	1.8
79.05489	41.5
80.05815	2.0
80.94887	2.6
81.03423	42.8
81.07057	81.7
82.07395	4.8
82.94550	2.8
83.04989	7.2
83.08608	8.0
85.06548	8.0
91.05483	22.0
93.07047	47.0
95.04972	15.0
95.08601	30.2
97.06537	6.4
97.10199	3.1
98.23362	1.9
98.97583	18.9
99.08166	2.5
105.07019	18.5
107.04933	14.2
107.08591	19.1
109.06518	67.8
109.10180	3.5
110.06864	2.7
110.33479	1.6
111.08099	3.3
113.05992	3.2
113.66295	1.6
115.07560	2.6
116.98622	12.8
117.07026	17.3
119.08594	9.0
121.06516	7.2
121.10139	10.9
123.08054	12.1
125.09656	3.4
129.07033	4.6
131.08563	21.4
133.06500	2.6
133.10106	9.6
134.99692	4.2
135.08052	38.0
135.11687	20.0
137.09584	2.2
143.08589	4.5
145.06464	8.5
145.10120	9.7
147.08066	3.5
147.11676	3.3
149.09610	12.6
149.13249	11.5
153.09204	1.7
153.11118	2.1
157.10124	7.8
159.08089	3.1
159.11679	21.1
161.09616	7.7
161.13326	3.0
163.11267	2.7
164.92120	6.3
167.10686	12.2
169.10168	4.5
171.11707	4.1
173.13298	2.2
175.11145	2.3
177.12776	14.7
183.11690	2.3
185.13289	2.3
187.11189	7.6
189.12756	2.9
198.98965	3.4
199.14832	4.6
201.12822	4.9
209.15440	5.3
211.14935	1.7
217.15862	17.0
219.13661	1.9
227.17972	2.5
233.15341	5.1
237.16272	2.4
245.18951	2.5
255.17436	4.7
258.99777	20.0
273.18515	30.9
274.18854	1.8
277.00766	19.5
282.01202	2.8
287.20078	3.4
291.19281	2.6
300.02405	2.3
305.21130	100.0
306.21500	8.6
323.18213	7.0
323.22119	15.7
324.22189	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	323.2221
Annotation	ent-8beta,16-Dihydroxy-17-nor-6,13E-labdadien-15-oic acid
Peak:m/z	Relative Intensity
53.03939	0.8
55.01873	2.8
55.05513	6.9
56.96569	0.6
57.03437	7.2
57.07082	0.7
59.04998	2.9
65.03937	2.4
67.05505	27.3
67.05868	1.3
68.05853	0.6
69.03403	0.7
69.07071	21.0
69.16689	3.8
71.04991	6.8
73.06556	5.5
79.05495	11.6
80.94897	0.6
81.03418	1.1
81.07057	14.9
83.04992	2.2
83.08613	3.6
83.67532	0.6
85.06535	5.4
85.79085	0.6
86.09729	1.1
88.71119	0.6
91.05483	11.3
93.07043	14.2
95.04972	14.8
95.08609	11.9
97.06541	3.2
97.10178	2.8
97.48816	0.5
98.97588	4.9
99.08096	100.0
99.28330	0.6
100.08421	2.0
105.04518	0.6
105.07027	9.9
107.04959	2.6
107.08594	9.6
109.06524	18.2
109.10155	3.6
111.08059	2.7
113.06014	3.2
115.05473	0.8
116.98624	4.0
117.07018	5.4
119.08590	7.3
121.06501	2.6
121.10159	6.1
122.10464	0.6
123.08085	5.4
123.11719	0.8
125.09666	0.9
127.07559	6.4
128.06223	1.0
129.07039	2.7
131.08562	8.2
133.06487	1.3
133.10138	5.5
133.38577	0.6
134.99654	1.0
135.08063	10.4
135.11691	3.5
137.05983	0.5
137.09608	1.6
137.13341	0.7
141.07011	0.9
141.09093	2.2
142.07692	0.6
143.08556	3.6
145.10120	6.9
147.08012	3.9
147.11703	2.8
147.26776	0.6
149.05978	1.7
149.09590	3.9
149.13225	1.6
155.08563	0.8
157.10132	3.9
159.08131	1.2
159.11740	3.8
161.09613	5.6
161.13283	1.6
163.11220	2.9
163.14926	0.7
164.92078	1.9
165.09172	0.7
169.10136	0.8
171.11716	1.8
173.09601	0.8
173.13266	1.3
175.11183	2.9
177.12688	0.8
179.10707	0.8
179.14369	0.6
180.97942	0.7
181.10106	0.6
182.45973	0.6
183.11763	1.4
185.13332	1.4
187.14926	0.6
189.16460	1.0
198.98956	1.7
199.11159	0.7
199.14958	1.1
213.16289	0.8
217.15877	5.7
219.13745	0.8
231.17407	0.7
235.16934	0.9
237.16428	1.6
245.19102	1.6
249.18526	1.6
255.17451	2.4
258.99747	5.2
263.20123	1.2
273.18491	15.8
275.20331	0.6
277.00812	5.9
287.16318	0.9
291.19550	16.6
292.20044	1.1
305.17749	1.0
305.21140	6.5
305.24506	1.0
323.18555	1.0
323.22250	1.6
338.05389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88892	3.2
53.03955	4.5
55.01863	15.6
55.05256	6.6
55.05511	55.2
56.96584	4.3
57.03444	49.4
57.07067	4.3
57.37751	3.4
60.26889	3.2
60.35906	3.6
62.06084	8.6
67.05507	54.7
67.22402	4.3
69.03432	4.8
69.07059	19.5
69.11069	26.4
71.04995	6.5
73.71053	3.5
77.22633	3.3
79.05500	63.2
81.03434	6.4
81.07059	100.0
81.07505	7.8
82.94524	6.4
83.04993	8.3
83.08626	24.0
85.06551	10.6
91.05483	34.2
93.07056	45.2
95.04970	14.5
95.08602	36.2
97.06525	13.3
97.10168	41.9
98.23429	9.2
98.97594	49.9
99.08077	10.5
105.07043	37.0
107.04961	23.7
107.08600	40.9
109.06516	39.5
109.10153	13.7
111.08102	9.4
111.66441	4.3
116.98617	22.3
117.07019	27.2
119.08593	48.3
121.06507	14.2
121.10131	13.8
123.08063	20.2
123.11663	4.8
125.09642	46.0
129.06999	8.3
131.08598	24.9
133.10126	7.1
134.99654	8.1
135.08089	27.8
135.11685	7.2
137.09631	9.7
143.08562	9.6
145.10127	26.7
147.08092	26.2
147.11662	6.3
149.09618	8.8
151.11218	4.0
153.09114	9.1
157.10187	9.2
157.12254	4.4
159.08023	4.4
159.11711	8.7
161.09621	10.3
163.11159	8.4
164.92093	7.7
165.09178	7.0
169.10172	4.5
171.11700	7.1
173.13301	7.7
175.11208	4.5
179.10719	4.1
180.97813	6.5
183.11749	6.3
189.11157	4.4
198.99001	6.5
203.12697	31.4
203.51880	3.8
217.15958	6.5
219.13852	19.6
227.17967	3.9
235.13116	3.5
235.16969	5.3
238.16795	4.7
240.58147	3.4
255.17450	7.5
258.99805	29.7
273.18509	70.7
274.18848	6.5
277.00778	28.6
291.19504	49.9
295.32678	4.2
297.00317	3.9
305.05627	4.3
305.21109	69.9
323.18390	6.1
323.21960	24.5
323.25623	3.7
323.27411	4.9
324.28705	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	323.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50934	2.1
53.03940	10.7
55.01870	3.3
55.05515	22.1
57.07079	5.3
67.05505	39.6
69.07066	25.9
69.21331	15.7
71.04966	2.6
71.08642	3.3
72.98805	2.5
74.39470	2.4
79.05499	28.2
81.03419	43.6
81.07058	37.1
83.04977	9.0
83.08606	6.9
88.86887	1.9
91.05475	13.6
92.04929	2.2
93.07062	24.2
93.86445	2.0
95.04967	26.9
95.08597	16.0
97.10169	6.3
99.08112	3.4
105.07025	17.8
107.08598	17.0
109.06525	6.5
109.10151	10.0
117.07017	3.7
119.08578	8.7
121.10110	4.0
123.08113	3.0
123.11737	5.5
125.09635	8.6
131.08562	5.0
132.77608	2.2
133.10150	13.6
135.08083	6.6
135.11699	8.5
143.08621	3.0
147.11676	9.2
149.13264	6.9
151.11182	27.9
153.09114	5.3
157.10194	3.2
161.13243	10.9
163.14833	4.0
165.12778	4.1
171.10066	2.5
171.11600	4.1
172.36496	2.6
175.14828	5.6
179.14272	3.5
193.12329	2.5
205.59064	2.4
207.13774	3.4
217.14383	6.7
228.72726	2.2
231.21045	6.7
234.00941	2.2
241.19601	3.4
249.22147	3.9
259.20514	6.5
277.21625	100.0
278.21881	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	324.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.8
56.05050	2.1
57.03449	1.8
61.02934	1.8
67.05504	22.3
69.03424	5.8
69.07066	5.8
69.13901	9.1
70.06567	1.2
71.05006	4.3
73.02929	1.7
74.89453	1.4
81.03405	2.5
81.07040	6.4
82.06569	3.5
83.08621	13.3
85.02910	10.3
87.04454	2.2
91.05499	3.1
95.04964	1.7
97.02892	4.2
98.97601	2.1
99.04480	2.7
109.06454	1.5
109.10160	89.8
110.06049	14.4
110.10498	1.7
121.06497	2.5
127.03924	3.6
127.07525	3.0
127.11195	100.0
128.11554	2.1
137.06007	2.6
145.04951	3.3
145.06485	5.2
145.12242	25.7
147.04430	1.5
172.08754	1.3
175.11273	1.4
177.05531	2.4
178.06337	1.5
179.36203	1.1
180.13824	7.8
182.91336	1.2
182.92799	1.5
184.12828	1.3
190.06245	4.5
190.09738	3.2
191.08188	2.8
193.08620	3.4
221.08098	17.6
239.23586	1.3
261.10245	1.4
278.08051	8.6
292.07336	1.3
301.10529	1.3
307.10849	4.9
307.16815	1.9
307.20163	7.1
324.15353	7.1
324.22794	2.7
325.11871	9.2
325.17218	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	324.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05493	0.4
55.05514	1.7
55.58269	0.4
56.32048	0.4
57.03439	0.7
57.07084	2.6
59.80210	0.5
61.02924	1.0
67.05502	0.5
69.03426	2.0
69.07057	0.9
69.32475	1.9
71.04991	13.6
73.06544	2.5
75.04496	0.9
81.03436	0.6
83.08621	1.7
85.02910	6.1
87.08086	0.8
97.02886	1.4
98.23451	1.0
98.63335	0.4
104.41565	0.4
109.10163	5.3
110.06039	0.8
127.03893	0.7
127.11195	28.7
128.11531	0.9
145.04988	1.0
145.12241	100.0
146.12601	2.9
206.38979	0.4
209.07126	0.6
216.63861	0.4
237.06764	0.5
278.08319	0.5
283.07135	1.7
287.86359	0.4
293.05643	1.7
297.08646	0.9
307.10770	0.6
313.53485	0.4
325.08157	0.6
325.11777	0.7
336.12027	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.2
55.01871	2.3
55.05498	3.1
63.82784	2.1
66.49741	2.1
67.05501	5.9
69.07077	4.2
70.62669	2.9
79.05494	7.9
80.94855	2.4
81.07056	10.5
83.04979	7.5
83.08611	3.8
87.04477	2.2
91.05475	6.1
92.89963	2.8
93.07047	8.3
95.04979	4.8
95.08600	15.4
96.46144	2.2
97.06540	9.9
98.97576	11.5
105.07008	19.9
107.04976	4.4
107.08612	10.1
109.06560	4.3
109.10178	10.4
110.75923	2.2
111.04475	3.2
116.98637	5.3
117.07059	3.7
119.08596	14.5
121.06486	2.8
121.10142	13.9
123.08089	2.7
125.06009	11.0
127.07584	4.0
129.06944	3.7
131.08575	24.1
133.10123	5.6
134.99687	2.3
135.08070	4.8
141.09129	9.2
143.08556	7.2
145.10143	12.9
147.08044	3.4
147.11641	4.1
149.09621	4.6
151.07550	2.5
151.11234	2.1
155.08630	3.4
157.10152	8.0
159.08063	2.4
159.11696	9.2
169.10114	7.3
171.11711	8.4
173.09668	3.2
173.13268	75.5
174.13680	3.2
177.09113	2.8
183.11705	7.5
185.13298	3.9
187.14842	3.9
197.13275	3.6
199.14844	7.1
201.12788	4.8
215.18005	10.4
219.13731	2.8
225.16356	12.7
227.18097	3.0
243.17404	34.5
253.15977	3.7
260.00113	3.8
261.18515	17.4
271.16907	35.3
272.17319	3.0
278.01071	5.0
289.14725	5.3
289.17975	100.0
290.18335	5.5
307.18991	22.6
324.18210	2.5
324.21783	8.9
326.26230	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	324.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60698	2.6
53.03946	2.5
55.01876	6.3
55.05514	31.7
56.05013	2.8
57.03407	3.2
57.07087	2.9
59.05000	6.3
67.05510	29.1
69.03432	3.5
69.07069	100.0
69.07448	4.9
69.27230	14.2
71.05002	6.3
79.05492	20.5
80.05024	5.1
80.94872	4.2
81.03416	21.7
81.05785	3.7
81.07059	38.7
82.06590	6.4
83.05008	4.8
83.08619	15.0
84.04510	7.7
85.06552	2.7
90.60025	2.5
90.82569	2.7
91.05465	18.0
93.07069	12.1
94.02882	3.9
94.06559	4.4
95.05000	9.4
95.08622	12.5
96.04498	5.9
97.06545	12.2
97.10171	12.5
98.97603	8.2
105.07008	17.0
106.07356	2.7
107.04949	6.3
107.08617	11.7
108.08193	3.0
109.10164	3.6
111.08089	4.2
114.09174	3.5
116.98647	5.9
119.08572	13.8
121.10102	4.3
122.06071	4.5
122.09717	4.1
123.11708	5.2
125.09659	7.4
129.07013	4.7
131.08572	8.3
132.08115	6.5
133.10135	6.6
134.99727	2.8
135.08093	3.9
145.10172	3.3
147.11705	11.5
152.10742	5.2
154.05025	8.7
157.10100	6.7
163.93509	2.8
174.12793	4.8
175.11252	5.8
192.13852	3.4
193.12219	16.9
211.13321	18.7
214.16925	2.8
220.13454	6.6
232.17854	5.5
233.19083	2.8
238.14328	23.7
255.48947	2.8
259.99893	5.9
278.01083	3.7
279.00864	2.8
306.21317	4.4
324.18524	5.2
324.21667	6.1
324.25150	56.3
325.25543	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	324.217
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.05508	1.6
57.07084	0.8
62.05019	0.7
67.05515	4.0
69.07066	10.3
79.05492	3.9
80.94839	1.0
81.07058	8.4
83.04980	4.0
86.09706	100.0
87.10024	2.1
91.05480	8.9
93.07043	13.7
95.04958	3.8
95.08611	3.0
95.44003	0.7
97.06509	0.9
98.48962	0.6
98.97595	3.2
103.26781	0.6
105.07035	13.7
107.04957	1.0
107.08600	4.0
109.06535	10.4
109.10172	1.5
111.08097	3.2
116.98630	1.5
119.08598	4.5
121.06532	1.3
121.10170	1.3
123.08085	1.4
128.10738	3.9
131.08582	4.6
132.10208	29.3
133.06453	0.8
133.10126	16.9
134.10512	1.0
135.08087	1.1
145.10107	1.3
147.08078	0.8
147.11691	12.7
149.09633	1.9
149.13304	0.9
151.07558	3.3
151.11179	42.8
152.11572	1.4
156.10233	1.2
157.10194	1.0
158.73456	0.7
165.12733	1.5
175.11192	4.1
181.60036	0.8
193.12199	4.4
205.90956	0.7
210.14925	1.0
212.88126	0.8
260.00055	1.0
260.20047	6.4
273.18390	0.9
275.30453	0.8
278.21149	29.0
279.00479	0.8
279.21576	2.1
306.20776	5.9
324.18167	1.1
324.21667	15.5
325.11734	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.3
57.95763	1.0
67.05503	4.2
69.07071	13.8
69.09800	1.1
77.66537	1.1
79.05483	3.0
81.07057	3.4
83.08628	1.5
85.06544	8.3
87.04485	1.4
91.05477	1.6
93.07031	1.9
95.08629	2.7
97.06520	2.2
98.23501	3.0
98.97586	5.4
105.07053	5.6
106.26936	1.0
107.08583	8.1
109.10165	13.4
116.98663	1.8
119.08583	3.4
125.09589	2.8
127.24238	1.1
129.06970	1.7
131.08562	4.0
133.10149	1.8
141.06915	2.7
142.07773	8.4
143.08527	4.5
145.10129	6.8
147.08005	2.2
149.05992	6.2
155.08514	2.7
156.09352	44.0
157.10135	28.8
159.11707	8.3
169.10161	4.2
169.27487	1.5
170.10925	1.4
171.11691	100.0
172.12041	5.0
173.13252	3.3
180.89577	1.3
183.07976	2.1
183.11755	9.5
185.13287	1.3
189.09094	14.0
197.09639	2.7
197.13101	1.3
198.10033	1.2
201.09178	7.1
208.57959	1.2
210.81755	1.2
215.10674	30.2
225.16388	11.9
227.17883	2.8
243.17371	4.1
253.15947	6.9
271.16901	7.0
278.00934	1.2
289.17987	2.5
324.21094	2.4
333.21936	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31580	2.1
53.03952	2.3
55.01851	3.1
55.05512	12.3
57.03431	3.9
66.02419	2.2
67.05504	15.9
69.03429	4.3
69.07064	36.0
71.05001	12.7
71.36463	2.6
74.56330	2.5
79.05479	11.7
80.76722	2.7
81.07056	19.2
82.07396	3.6
83.04983	5.4
83.08619	8.4
85.02900	6.5
86.16987	2.3
87.04472	4.1
91.05499	15.2
92.05866	2.5
93.07024	13.8
95.04961	10.0
95.08603	16.9
97.06544	12.8
97.10178	6.0
98.97568	8.7
99.08069	5.6
105.07006	9.7
107.04916	4.6
107.08592	12.4
109.06505	10.2
109.10154	11.1
110.10500	2.6
111.08074	2.7
111.13734	2.4
115.07553	9.1
116.98629	6.2
117.07038	3.0
119.08566	20.9
120.08907	2.7
121.06507	62.0
121.10146	7.4
123.08080	11.2
126.36842	2.4
131.08585	7.7
133.10124	8.1
135.08037	9.4
135.11687	4.3
136.08350	2.5
137.09636	3.3
139.34442	2.4
142.07828	2.6
142.23717	2.5
143.08554	6.0
145.10100	7.8
147.08044	22.9
147.11670	5.5
149.05972	14.7
149.09647	4.0
149.13271	2.5
150.06297	9.1
151.07584	2.9
156.09341	3.0
157.10118	13.2
159.08026	4.6
159.11703	7.3
161.09651	21.5
165.05466	9.0
169.10126	5.9
171.11656	13.6
173.09618	8.3
173.11765	2.7
175.11188	9.3
175.14775	2.6
183.11639	3.9
185.13275	6.8
187.11154	5.4
189.12753	29.1
189.16362	9.0
201.09111	3.0
201.12682	4.0
203.14392	2.5
203.18057	2.7
215.10661	3.4
215.18013	9.4
219.17462	10.5
225.16322	8.1
227.17946	8.7
243.17424	24.0
245.18977	12.2
259.99988	4.3
261.18674	6.0
271.17017	13.9
278.01086	4.4
278.08163	4.5
278.18240	2.7
284.88614	2.2
288.16794	4.3
289.17975	100.0
290.18295	7.2
306.17780	9.0
307.10895	5.7
307.18994	30.8
324.18503	8.1
325.11908	12.8
325.19904	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	324.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.3
54.72505	2.1
55.01883	5.6
55.05512	78.4
57.07060	2.8
59.04984	2.4
62.06094	26.2
65.03925	6.0
65.94608	2.2
67.05508	100.0
69.03421	6.4
69.07074	17.0
79.05489	26.1
80.05020	9.6
81.05779	2.4
81.07062	76.1
82.06590	4.3
83.04990	5.2
83.08629	30.6
87.04471	3.1
90.35393	2.0
91.05457	6.1
93.07032	6.0
94.06560	8.0
94.34129	1.9
95.08591	8.6
97.10175	73.3
99.04446	2.0
105.07025	8.3
107.08594	13.1
107.27966	2.1
108.08128	2.6
109.10164	4.2
113.71493	2.5
123.11673	3.6
125.09640	82.3
126.09931	3.3
130.07964	2.4
150.12784	19.7
157.12218	8.3
161.09586	2.6
162.10004	5.0
193.97838	2.2
205.12190	2.3
206.12675	2.4
306.24261	51.3
307.24512	3.4
311.00296	2.1
324.18039	2.7
324.25217	8.1
324.28873	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	324.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20703	2.3
55.01878	2.4
55.05508	19.9
57.07077	6.9
67.05511	28.3
69.03415	4.1
69.07071	62.5
69.44412	12.1
69.44707	3.8
71.05000	2.7
79.05499	25.2
81.07059	100.0
82.07375	5.4
83.08633	12.5
85.06545	3.9
91.05477	9.5
93.07056	30.4
95.05007	4.4
95.08607	67.4
96.08954	2.6
97.06511	5.7
97.10162	5.5
99.08092	3.0
103.94366	2.4
105.07039	26.4
107.08597	27.9
109.06512	9.4
109.10155	45.1
111.08054	3.7
111.11714	3.6
117.07107	2.4
119.08607	21.3
121.10148	22.5
123.08122	3.5
123.11707	18.9
125.09641	5.2
131.08612	6.2
133.10135	19.8
135.11661	12.8
137.09595	4.5
137.13245	3.6
145.10127	10.8
147.11710	15.8
149.13258	13.2
151.11156	13.8
159.11668	14.2
161.13248	7.8
163.14804	5.7
173.13248	6.1
175.14813	8.9
177.16333	3.3
187.14871	8.2
189.16356	9.2
201.16356	8.6
203.17937	6.7
205.16028	2.5
215.18018	8.9
271.24179	8.2
293.21161	4.3
306.23288	5.2
307.26355	12.8
324.28946	10.0
344.06836	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	325.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25590	1.3
63.08925	1.3
80.39825	1.3
82.87296	1.4
95.01341	1.5
95.03716	2.1
100.11246	2.9
106.27460	1.5
108.04497	1.6
109.05270	7.4
110.06047	49.9
120.04477	1.9
122.02403	8.4
124.05717	1.5
136.03928	10.9
137.04721	15.8
137.05861	2.8
148.03960	5.1
149.68875	1.5
150.05528	1.8
154.06546	4.7
159.03290	1.5
166.06499	3.5
168.07759	1.4
168.91542	1.3
174.07858	2.0
181.07674	7.2
182.06018	2.8
184.06314	5.0
188.03416	1.6
191.06070	2.1
192.04408	1.6
192.06821	1.8
193.07544	6.7
194.06065	1.9
195.05589	2.8
198.07927	7.6
199.08640	9.5
208.06358	4.0
209.07121	40.5
209.16405	1.5
210.05530	2.6
210.07680	4.8
212.05807	7.1
213.10269	2.8
221.06996	7.5
222.08376	4.7
223.05025	2.2
223.08673	5.6
224.05766	7.8
225.04308	1.6
225.06558	5.4
226.07347	14.4
233.03214	1.5
236.05775	7.5
237.06577	51.3
238.05083	3.4
238.07339	13.4
240.05255	10.9
241.06030	2.0
241.09758	4.7
247.05208	1.7
247.07613	2.0
249.06618	4.6
251.04523	5.9
251.08289	2.5
253.06070	15.6
254.06845	17.5
255.07610	10.2
264.05313	4.5
265.03317	1.8
265.06067	30.6
265.08768	2.0
266.04163	2.0
266.06735	3.0
268.04880	9.7
268.07458	1.6
269.09201	16.5
270.09552	2.0
282.06439	10.8
283.07153	95.8
283.13260	3.9
284.07468	4.5
292.04745	5.4
293.05566	100.0
294.06061	6.6
296.09238	1.7
297.08688	74.6
298.09122	5.3
304.13885	2.2
307.07013	4.2
307.10284	3.2
310.05746	4.1
325.08228	28.0
325.11761	5.6
326.27954	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	325.1396
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03946	2.3
55.01854	1.4
57.03439	2.7
58.60326	0.3
59.04971	0.4
60.15634	0.3
61.02911	0.9
61.20532	0.3
69.03427	16.6
69.57490	1.3
71.01330	1.1
71.04992	5.4
73.02917	0.5
75.04481	0.5
76.24950	0.4
81.03416	16.1
87.04434	0.4
91.05471	1.0
99.04449	6.1
111.95193	0.3
116.04977	0.5
117.05494	2.1
118.06534	4.8
120.08144	0.4
145.07603	6.6
147.09169	6.7
162.07887	0.9
163.08632	1.1
172.06297	0.4
173.07106	12.2
174.07393	0.4
175.08658	6.7
191.08145	100.0
192.08463	3.6
203.08076	0.5
205.09692	0.6
215.11813	0.5
231.11305	0.4
233.09218	1.2
243.11353	0.3
280.90045	0.4
289.11871	1.8
307.12875	30.7
308.13202	1.9
325.13931	26.9
325.17926	0.6
326.14240	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2012
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03947	3.4
55.01880	3.5
55.05511	9.6
57.03432	2.0
60.45657	1.1
60.98391	1.3
61.78451	1.3
65.87501	1.2
67.05508	15.4
69.03448	1.8
69.07068	7.7
69.13773	7.8
71.05008	2.6
79.05495	30.4
81.03423	4.3
81.07056	100.0
82.07410	2.4
83.04974	9.5
83.08617	2.1
85.06561	2.9
91.05481	12.6
93.07042	11.7
95.04968	9.5
95.08607	9.0
95.10989	1.2
97.06524	14.8
97.10160	3.4
98.23522	2.4
98.97602	2.6
105.07025	11.7
107.04972	8.9
107.08582	9.9
109.02884	5.4
109.06519	91.9
109.10151	7.8
110.06895	1.9
111.04419	1.7
111.08097	2.7
117.07026	5.9
119.08592	10.1
121.06493	4.1
121.10133	2.2
123.04398	7.5
123.08101	4.0
125.09654	3.2
129.06921	1.7
131.08557	4.2
133.06519	2.0
133.10136	11.0
135.08052	9.7
135.11723	1.4
136.49446	1.3
137.05968	2.6
137.09647	4.0
139.07556	3.6
141.05453	1.6
143.08531	4.3
145.10156	2.7
147.08041	3.2
147.11713	1.7
149.09671	1.9
151.07570	6.3
151.11151	4.0
157.10118	1.7
159.08083	3.4
159.11674	2.6
161.09576	7.5
163.07574	3.9
165.09106	3.5
167.07158	1.4
169.10104	1.6
171.08414	1.3
173.09619	3.0
177.09088	1.8
179.10718	4.4
181.12238	1.4
183.11528	1.5
189.09203	2.8
189.11082	1.5
193.12395	1.6
197.11517	1.2
207.10251	1.3
225.11136	2.4
233.15536	1.5
243.17474	4.4
261.18500	9.5
263.20157	1.8
271.16940	8.2
279.19510	2.5
289.14694	2.1
289.17975	41.8
290.18332	3.6
307.19077	13.0
325.11960	1.6
325.15735	3.0
325.20901	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2012
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
53.03943	4.9
53.43166	1.4
55.01874	10.4
55.05516	27.4
57.03440	45.0
67.05511	33.1
69.03421	8.5
69.07069	17.0
69.16404	1.3
69.78359	2.0
69.78677	3.2
71.04986	4.3
79.05499	45.9
80.05835	1.8
81.03436	10.0
81.07065	27.6
83.04984	9.5
83.08632	14.1
85.06532	4.4
86.09716	1.4
89.50964	1.4
91.05489	21.2
93.03400	1.9
93.07050	25.9
95.04973	14.1
95.08614	16.0
96.05340	1.8
97.06537	53.1
97.10180	22.1
98.22735	3.1
98.97593	1.8
99.04488	2.0
99.08126	2.7
104.99361	1.5
105.04524	2.3
105.07027	14.6
107.04962	18.3
107.08588	21.3
109.06525	13.6
109.10141	10.5
111.04498	1.5
111.08099	3.5
113.05937	1.5
115.05445	1.9
117.07038	8.8
119.08563	18.3
121.06522	15.6
121.10153	12.8
123.04475	2.0
123.08069	14.1
125.05997	27.7
125.09631	14.0
129.07008	4.2
131.04924	2.0
131.08559	11.1
133.06467	5.3
133.10095	8.1
135.08067	19.3
135.11684	3.1
137.09584	4.6
139.11157	2.7
141.07025	1.5
143.08568	3.3
144.52058	1.6
145.06485	6.0
145.10144	8.1
147.08083	8.7
147.11670	3.0
149.06009	1.6
149.09612	7.9
151.07524	3.7
151.11208	3.6
153.09100	3.3
155.08516	4.3
157.10197	2.2
159.08064	43.6
159.10054	1.9
159.11646	2.4
161.09578	4.6
163.07558	5.2
163.11221	6.8
165.09183	2.3
169.10202	2.3
171.11713	3.3
173.09642	8.1
175.11290	1.6
177.09081	8.7
185.09520	1.8
187.11264	1.8
187.14806	5.1
189.11218	7.8
189.12744	3.0
191.10591	1.9
193.12234	1.9
197.13284	2.7
199.11330	2.1
205.15810	3.0
209.11781	1.9
215.14333	8.6
217.12218	1.9
225.16429	2.8
233.15372	45.2
234.15842	1.5
243.17479	5.4
251.16444	20.2
253.15936	11.8
261.18549	4.2
271.16919	54.0
272.17346	3.9
289.17987	100.0
290.18420	8.2
307.19040	39.9
308.19275	3.2
325.20093	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	325.2012
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
53.03954	11.7
55.01869	18.3
55.05511	30.5
57.03180	2.8
57.03435	31.0
65.03925	3.1
67.05507	66.9
69.03437	12.1
69.07070	26.2
69.62765	4.1
69.63155	4.7
71.04990	7.7
76.99343	2.1
79.05495	50.7
80.05778	2.3
81.03411	41.5
81.07059	65.9
83.04983	33.7
83.08629	11.4
85.06546	7.7
91.05484	40.6
93.07043	43.4
95.04966	26.0
95.08607	36.8
97.06532	91.3
97.10153	12.1
98.97579	5.3
99.04417	4.0
99.08044	3.7
105.04465	2.5
105.07025	34.2
107.04956	35.2
107.08593	30.5
109.06536	16.5
109.10159	33.1
111.04436	20.6
111.08085	10.2
113.06004	8.2
116.98648	2.7
117.07016	15.5
119.04921	3.1
119.08596	16.7
121.06510	19.8
121.10143	14.5
123.04424	6.7
123.08064	23.0
123.11723	4.2
125.05984	13.8
125.09637	10.6
129.06981	3.1
131.04933	3.2
131.08569	14.2
133.06487	6.5
133.10124	35.5
135.08046	16.3
135.11700	15.5
137.05943	3.4
137.09599	6.8
141.07018	4.7
143.08562	4.5
145.06454	11.0
145.10110	12.0
147.08029	5.0
147.11696	7.1
149.05942	2.9
149.09619	5.9
149.13252	6.6
151.07607	3.9
151.11198	15.0
155.08548	3.4
155.17670	2.2
157.10165	6.2
159.08051	23.4
159.11687	15.3
161.09618	4.3
163.07570	5.1
163.11165	8.9
165.09138	3.4
169.10110	7.5
171.11723	4.0
173.09624	7.1
173.13211	3.8
177.09096	4.5
177.12785	11.8
185.09549	2.3
187.11163	20.6
187.14906	3.9
189.11217	6.1
189.12776	3.5
191.10759	2.4
193.12263	3.4
195.13820	7.4
205.12288	5.5
205.15967	5.3
215.14317	5.0
221.11809	2.9
223.13219	17.7
233.11922	2.3
233.15370	22.0
241.14342	33.0
243.17413	5.8
247.13335	2.7
251.16429	8.1
253.15825	5.8
261.16095	3.1
261.18463	16.9
262.18799	2.4
271.16904	27.2
289.17966	100.0
290.18362	3.9
303.71875	2.5
307.18991	34.1
325.11859	2.7
325.15659	4.1
325.20364	18.5
326.20120	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	325.2011
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
53.03954	2.0
55.01876	32.4
55.05513	71.0
57.03439	37.3
59.05004	6.0
67.05508	79.4
68.50119	1.9
69.03428	15.9
69.07073	23.7
69.36439	10.7
71.04992	15.2
73.02940	2.3
74.99078	2.3
77.08433	2.0
79.05493	52.1
81.03423	38.0
81.07059	48.2
83.04986	21.1
83.08623	37.1
85.02919	3.4
85.06548	16.8
91.05483	35.2
93.07047	42.0
95.04974	45.4
95.08609	45.1
97.02881	5.7
97.06527	26.7
97.10172	64.4
98.97601	3.6
99.04435	4.3
99.08110	3.6
100.45262	2.0
105.07046	20.4
107.04957	26.1
107.08594	41.8
109.06525	100.0
109.10148	22.7
111.04441	10.7
111.08091	8.6
113.06024	21.9
115.05436	3.1
115.07581	8.2
116.80705	2.1
117.07033	9.0
119.08593	25.6
121.06509	43.9
121.10145	15.0
123.04433	2.9
123.08067	49.9
123.08900	3.7
123.11690	2.7
125.05989	5.1
125.09631	59.8
125.10506	4.3
127.07574	6.3
128.06274	2.6
129.07027	6.8
131.04915	3.1
131.08566	15.7
133.06509	7.0
133.10141	13.1
135.08063	21.7
135.11722	6.3
137.05997	4.6
137.09625	49.3
139.07535	17.5
139.11201	4.8
141.09111	19.4
143.08582	4.7
143.10669	3.4
145.06483	3.5
145.10173	11.3
147.08107	8.2
147.11702	6.6
149.05887	2.4
149.09634	8.2
151.07512	6.9
151.26776	2.1
153.09088	14.7
153.12775	3.4
155.08640	5.1
155.10664	16.9
157.10123	6.0
159.08041	34.3
159.11752	6.4
161.09602	10.7
163.07559	9.1
163.11154	10.5
165.09137	8.7
165.12772	3.0
167.08469	2.5
167.10733	2.8
169.10202	3.8
171.10284	5.1
171.11719	6.0
173.09654	6.0
173.13274	2.6
175.11165	7.2
175.14719	2.6
177.09105	4.7
179.10678	2.4
181.12270	5.9
183.11795	2.8
187.11288	3.6
187.14819	5.7
189.11230	44.4
189.12782	5.1
191.10710	7.3
193.12352	5.7
197.09547	3.1
197.13327	3.4
199.11166	6.4
205.12273	4.9
211.13326	7.6
215.14317	6.2
217.12354	4.5
219.13785	9.6
223.13387	6.3
225.16426	4.1
233.15398	24.8
235.13338	6.6
235.16956	4.1
237.14880	7.3
243.17467	5.9
243.25760	2.2
251.16444	11.9
253.15828	12.6
253.18163	2.7
261.18478	11.4
271.16940	32.4
279.00623	3.1
289.17996	92.0
290.18268	5.4
293.05618	3.8
307.10834	8.8
307.19040	71.7
308.19370	4.6
325.08371	3.9
325.11761	13.6
325.20023	31.3
339.33371	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2013
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
53.03944	9.0
55.01868	10.1
55.05516	29.8
57.03441	36.1
62.99419	3.0
65.03971	3.0
67.05505	55.3
69.03426	6.9
69.07068	17.1
71.05005	7.0
71.08640	5.5
79.05484	35.4
81.03422	17.0
81.07060	43.4
83.04981	44.9
83.08622	12.5
91.05484	47.1
93.07050	100.0
94.07378	4.0
95.04974	32.3
95.08614	35.5
97.02854	3.2
97.06522	8.1
97.10164	16.7
98.97584	9.7
99.04473	6.8
99.08098	8.0
101.05952	3.3
105.04488	5.0
105.07053	25.1
107.04976	16.8
107.08617	19.0
109.06538	19.5
109.10159	14.4
111.04436	7.7
111.08097	20.5
113.06000	4.0
116.98640	6.1
117.07031	9.2
119.08569	23.6
121.06511	32.5
121.10149	17.0
123.08069	9.0
125.09602	14.3
129.07005	8.6
131.08606	15.4
133.10110	15.1
135.08041	17.4
136.37460	3.0
137.09613	9.7
139.07550	11.7
143.08556	7.6
145.10117	13.4
147.08034	4.3
147.11703	5.1
149.09616	11.2
151.07565	8.9
151.11206	8.3
153.09094	10.2
155.10692	2.9
159.08029	3.4
159.11676	7.4
163.07550	8.2
163.11197	5.3
165.09103	6.0
167.10652	5.1
171.11642	5.1
173.09592	6.3
177.09108	6.5
181.08614	4.0
189.11250	6.4
191.10609	5.1
195.10188	6.5
197.13168	3.5
209.11774	5.3
215.14357	5.0
228.04002	3.1
233.15305	11.8
235.13283	5.7
243.17598	6.1
261.18549	5.5
271.16916	8.1
273.45374	3.4
275.20111	3.9
279.00668	5.3
279.19467	4.0
289.17987	34.8
299.99658	3.1
307.19016	35.9
325.20013	23.6
325.23535	8.2
326.26575	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.25700	0.6
53.03953	4.5
55.01875	2.6
55.05512	7.6
57.03443	5.6
59.05023	0.9
64.46758	0.6
64.83566	0.8
65.03944	1.7
67.05509	14.8
69.03439	2.2
69.07069	4.8
69.71124	1.2
69.71477	1.5
71.01336	1.5
71.04999	2.8
77.03952	0.8
79.05499	37.0
80.05828	0.7
81.03426	4.5
81.07062	100.0
82.07393	2.1
83.04980	4.7
83.08627	3.2
85.06548	0.7
88.70383	0.7
91.05488	11.2
91.46684	0.6
93.07050	21.1
94.07375	0.9
95.04977	5.6
95.08611	17.7
97.06522	4.0
97.10187	1.9
98.97566	1.4
103.05542	1.0
105.04548	1.4
105.07047	6.8
107.04975	2.9
107.08598	7.8
109.06525	61.9
109.10165	2.8
110.06851	1.7
111.08089	10.4
113.73496	0.6
116.75816	0.5
117.07030	1.7
119.08621	4.2
121.06511	3.0
121.09271	1.0
121.10152	19.5
123.08080	8.4
123.11736	0.8
125.09634	2.3
126.53176	0.6
128.06227	0.7
129.07047	1.1
131.08580	4.8
133.06497	0.9
133.10124	6.3
135.08047	3.9
135.11774	0.8
137.05968	1.1
137.09657	2.0
139.07553	2.5
139.11197	3.9
141.09109	4.8
143.08548	1.2
145.06433	0.6
145.10109	1.5
145.25478	0.6
147.08018	1.4
147.11711	0.9
149.05911	0.8
149.09612	6.3
151.07564	2.0
151.11186	2.7
153.09117	1.4
157.10167	1.0
159.08083	1.8
159.11621	0.8
161.09619	2.7
163.11182	0.9
165.09221	0.7
165.12779	0.7
167.10683	8.0
169.10143	0.7
169.12238	0.8
173.09647	1.1
173.11774	1.0
179.10652	2.5
185.11726	1.8
187.11108	0.7
189.11244	2.0
197.11716	1.5
203.12698	1.0
243.17496	1.4
253.16060	1.1
260.99484	1.0
261.18552	3.2
271.16895	3.9
279.00543	0.8
289.17966	12.1
307.19049	3.2
307.22473	0.7
325.11810	2.7
325.20090	21.3
326.20233	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2373
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.99250	0.9
54.10276	1.0
55.01869	1.3
55.05291	1.1
55.05515	11.7
57.07067	3.6
67.05503	13.4
69.03429	3.6
69.07071	13.5
69.72208	3.6
71.05008	2.1
71.08629	19.8
79.05488	8.8
80.58643	0.9
81.07055	22.1
81.07507	1.9
83.04978	1.8
83.08623	2.7
85.06542	1.5
90.61479	1.0
91.05485	5.0
93.07039	12.9
95.04983	9.5
95.08607	17.3
96.11588	1.1
97.06536	5.6
97.10176	3.0
99.08096	18.0
105.07030	7.8
105.07653	1.2
107.04939	1.1
107.08590	11.0
109.06521	22.9
109.10151	7.6
111.08104	1.9
113.05969	1.0
119.08566	6.6
119.42069	0.8
121.06520	6.6
121.10125	6.0
123.08101	2.4
123.11707	3.0
127.11298	1.0
131.08553	4.8
133.10135	3.5
135.08066	4.0
135.11722	3.1
137.09607	1.6
139.11198	6.3
141.09056	1.3
145.10127	2.8
147.11700	2.8
149.09644	2.8
151.11250	0.9
157.10216	1.2
159.11697	2.7
161.13280	2.4
163.11182	3.5
163.14845	2.0
165.12755	44.8
165.41492	0.9
166.13095	1.2
173.13258	2.9
175.11078	1.1
175.14832	1.3
177.12769	3.7
179.14282	1.7
181.15878	12.7
183.11714	1.4
187.14790	1.5
188.04803	1.1
191.14317	3.1
205.15802	1.2
205.65468	1.0
209.15329	1.1
215.14320	1.7
243.21030	2.0
251.16434	4.2
251.23666	1.7
261.22159	20.1
262.22455	1.3
271.20581	3.7
279.23129	5.8
289.21616	44.2
290.21902	2.7
307.22665	100.0
308.23074	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77134	4.3
55.05500	12.2
56.41071	4.3
57.07068	8.2
62.06074	5.5
65.12651	3.7
67.05524	24.2
69.07059	23.9
69.12808	26.0
71.05005	6.6
71.08630	24.7
79.05498	9.6
81.07061	27.4
83.08640	7.0
85.06521	5.1
91.05479	8.7
93.07037	18.0
95.04973	10.9
95.08607	18.3
97.06522	9.4
97.10136	4.4
98.97575	6.6
99.08121	19.1
99.08702	4.7
105.07027	12.7
107.08575	17.0
109.06512	27.2
109.10155	49.2
119.08566	10.1
121.06551	8.2
121.10130	11.9
123.08051	6.0
123.11700	6.0
127.11111	5.7
131.08551	7.6
135.07988	5.9
139.11182	5.2
145.10158	5.0
147.11664	4.7
165.12744	45.4
169.10136	11.0
177.12726	6.5
181.15840	14.8
261.22241	18.9
279.23251	10.9
289.21597	46.5
293.20956	4.8
307.10776	4.2
307.19193	6.3
307.22702	100.0
308.22983	6.2
325.11746	7.8
325.32037	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23922	1.8
53.03939	4.9
55.01616	3.3
55.01875	49.8
55.05513	64.5
57.03431	11.8
57.07077	14.5
59.04993	2.2
62.06087	2.2
65.03938	3.5
67.05505	100.0
69.03428	7.1
69.07069	41.1
69.90429	5.3
71.01363	2.5
71.04990	6.9
71.08626	8.7
79.05498	52.1
81.03421	13.4
81.07058	92.1
83.04976	20.3
83.08620	32.3
85.02896	2.8
85.06536	12.4
85.10178	5.0
91.05480	49.5
93.07047	58.8
94.21146	1.6
95.04961	28.3
95.08606	64.7
97.02888	4.1
97.06549	10.1
97.10167	17.4
99.04501	2.3
99.08090	9.9
100.24406	1.5
105.04503	2.8
105.07030	48.2
107.04961	21.3
107.08597	51.7
109.06535	12.5
109.10153	47.5
111.04448	6.2
111.08070	10.1
113.09665	6.6
117.06992	14.0
118.46333	1.7
119.08581	28.8
121.06505	12.2
121.10148	23.6
123.04472	2.0
123.08060	17.7
123.11710	14.8
125.06013	3.6
125.09637	44.1
127.07577	3.1
127.11201	2.5
129.07024	3.2
131.08568	20.2
133.06468	2.7
133.10129	63.3
135.08035	11.6
135.11711	18.3
137.09622	19.7
137.13231	2.9
139.11195	3.2
141.07053	2.9
141.09125	5.3
143.08623	3.3
145.10109	19.0
147.08038	3.0
147.11694	13.7
149.09616	15.5
149.13274	4.4
151.11192	52.2
152.11411	2.2
153.09047	3.5
153.12767	6.1
155.08606	1.8
159.08089	2.7
159.11722	9.7
161.09599	6.4
161.13295	3.1
163.11176	22.5
163.14809	4.3
165.09079	4.0
165.12759	5.9
167.10696	4.9
169.10146	4.1
169.12218	2.5
171.11734	3.1
173.09683	4.9
173.11784	2.1
173.13284	6.9
175.11217	3.4
175.14838	2.0
177.09152	3.2
177.12732	15.4
179.10698	7.5
179.14276	2.3
181.12209	8.8
183.11813	1.9
183.13832	11.8
187.11201	5.6
191.10693	3.6
191.14333	6.3
193.12248	3.4
195.13751	9.4
201.12790	2.8
205.12233	3.7
207.13834	2.9
209.11769	3.1
209.15367	4.0
219.13826	2.4
223.13239	3.5
229.19554	7.7
239.17979	5.2
247.20628	16.1
257.18936	16.2
257.63754	1.7
265.21695	10.4
275.20059	77.2
276.20462	2.4
279.23007	2.1
282.87054	1.9
289.21667	4.1
293.21109	74.7
294.21487	5.9
307.22705	29.8
325.23709	13.8
325.27444	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.76514	0.8
55.01884	1.4
55.05514	11.0
57.07083	1.3
59.05010	1.6
67.05511	12.6
69.03413	1.5
69.07067	5.8
69.11056	2.1
69.11460	4.9
69.74008	0.8
71.04994	1.8
71.08620	1.1
73.06564	3.7
76.73241	0.7
79.05507	9.0
79.15897	0.8
81.03413	1.5
81.07065	11.1
83.04990	1.1
83.08190	0.9
83.08609	4.4
85.02888	1.0
85.06509	1.0
87.09271	0.7
91.05480	8.5
93.07047	11.9
94.47771	0.8
95.04966	4.8
95.08611	13.8
97.06535	3.2
97.10165	2.4
98.97592	1.6
105.07030	8.5
107.04955	3.1
107.08585	8.5
109.06521	6.6
109.10159	5.6
109.10795	0.9
111.08051	1.0
113.06017	3.4
117.07051	3.9
119.08599	6.2
121.06493	5.4
121.10149	5.7
123.08065	4.4
125.06000	3.3
125.09645	1.3
129.06973	1.2
131.08562	4.6
133.10144	5.9
135.08044	6.3
135.11678	3.2
137.09642	3.4
139.07616	1.0
143.08536	1.6
145.10132	4.0
147.08052	1.1
147.11679	1.5
149.09625	3.6
149.13261	1.5
157.10060	1.0
159.11723	3.9
163.11203	1.7
165.12778	1.9
171.11736	0.9
173.13242	2.6
175.11159	0.9
175.14812	1.1
177.12785	4.0
179.14375	2.3
183.11691	0.9
183.13809	2.4
189.06599	1.1
191.14340	2.6
193.12296	1.1
195.13795	1.6
197.13313	1.1
205.15955	1.7
207.17506	3.7
209.15437	1.1
229.19550	2.7
237.14796	1.7
247.20605	1.9
261.22131	7.7
271.20459	1.0
275.20020	6.9
279.00708	1.1
279.23178	2.8
289.09457	1.1
289.21609	2.5
293.20987	1.5
300.12692	0.9
307.10654	2.5
307.22672	100.0
308.23062	7.2
325.11832	5.9
325.23984	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81276	0.4
53.03940	1.1
55.01880	2.3
55.05516	10.9
57.03416	1.0
57.07070	0.9
59.04983	0.5
60.84629	0.4
67.05206	0.6
67.05504	6.5
69.03423	1.5
69.07072	6.2
70.71880	0.7
71.08272	1.0
71.08636	13.8
71.63718	0.4
79.05491	5.4
81.03416	1.2
81.07053	6.0
81.98183	0.5
83.04984	1.3
83.08617	5.1
91.05505	2.6
93.07051	4.4
93.67615	0.5
95.04961	3.3
95.08595	2.3
97.10173	7.7
99.08094	8.1
105.07070	2.3
107.04948	2.4
107.08595	4.6
108.05721	0.7
109.06493	1.4
109.10146	2.0
110.62480	0.4
111.08074	0.8
117.07016	0.5
119.08591	1.1
121.06509	4.6
121.10163	1.6
123.08070	0.9
123.11662	0.6
125.09631	5.1
129.06949	0.6
131.08595	0.5
133.10146	1.4
135.08047	2.0
135.11607	0.5
137.03870	0.5
137.11295	0.5
139.71768	0.6
145.10114	0.8
151.11192	1.6
153.09116	1.4
157.12245	0.5
157.69470	0.4
159.11771	1.0
163.11192	0.9
164.12009	0.7
165.12775	1.0
177.12781	2.0
195.13756	1.0
203.12790	3.6
257.18985	1.5
265.21603	0.5
275.20093	5.5
293.21109	100.0
294.21487	5.7
307.22690	10.0
308.23035	0.6
325.27420	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01867	1.5
55.05261	0.6
55.05512	8.6
57.07066	0.7
59.05000	0.4
61.79401	0.5
67.05507	5.2
69.03417	1.2
69.07065	5.9
69.98495	0.9
69.98835	0.4
71.04984	0.4
71.08631	11.2
79.05498	4.3
81.07048	6.0
83.04952	1.1
83.08626	4.0
91.05477	1.7
93.07044	4.0
95.04978	2.5
95.08609	3.0
97.06535	0.8
97.09530	0.4
97.10164	7.8
98.22777	0.5
99.08097	8.0
105.07036	1.8
107.04948	2.5
107.08590	4.2
108.05736	1.3
109.06512	1.5
109.10158	1.3
111.08071	0.9
117.06972	0.8
119.08532	0.6
121.06503	4.2
121.10133	1.5
123.08076	1.1
123.11692	0.6
125.09628	6.6
131.08572	1.2
133.10114	0.9
135.08041	1.4
135.11676	0.8
139.11182	0.5
145.10127	0.6
147.11653	0.6
149.09644	0.5
149.13243	0.5
151.11179	1.1
153.09123	0.8
159.11771	0.5
163.11182	0.7
164.11971	1.2
165.12697	1.2
167.10587	0.6
177.12776	2.4
179.03470	0.4
195.13855	0.8
203.12761	2.6
210.17253	0.4
222.46611	0.4
232.04680	0.4
237.14764	1.1
247.20676	0.7
257.18936	1.1
275.20102	4.7
293.21094	100.0
294.21457	5.3
307.22681	12.7
325.28174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.5
53.03941	4.1
53.15553	1.8
55.01876	14.2
55.05512	61.8
57.03436	10.4
57.07072	8.0
65.03945	3.8
67.05505	100.0
68.05823	1.7
69.03425	7.1
69.07066	41.7
69.72895	3.0
69.73244	5.0
71.04990	6.6
71.08632	11.6
73.06564	1.9
77.03918	2.5
79.05493	46.8
81.03412	11.9
81.07055	98.7
83.04980	15.8
83.08621	38.0
85.02915	7.2
85.06532	11.4
85.10167	4.4
91.05476	53.6
93.07044	61.1
95.04966	37.5
95.05537	3.2
95.08606	65.4
95.09215	3.4
96.08949	2.3
97.02888	2.8
97.06546	12.3
97.10163	16.5
99.04421	2.5
99.08067	11.8
105.07030	44.5
106.07336	2.4
107.04958	17.1
107.08594	52.9
109.06504	14.0
109.10155	54.0
111.04456	4.5
111.08067	13.4
113.06088	1.9
113.09637	6.3
114.38831	1.8
117.07036	12.5
119.08584	25.9
121.06513	14.3
121.10146	21.7
123.08070	10.4
123.11714	17.0
125.09624	14.6
127.07533	2.3
129.06990	2.5
131.08574	21.1
133.06479	2.1
133.10129	77.7
134.10480	1.8
135.08044	8.4
135.11682	19.9
136.31291	1.6
137.09625	16.2
137.13248	2.3
139.07509	1.7
141.09123	6.6
143.08649	1.8
145.10127	24.2
147.08041	4.6
147.11656	10.7
149.09610	22.8
149.13269	5.9
151.11179	75.2
152.11522	3.2
153.12778	4.7
155.08636	2.2
155.10663	2.8
157.10144	4.5
159.08105	2.7
159.11699	12.1
161.09633	5.0
161.13229	4.9
163.11200	21.7
163.14874	2.9
165.09074	1.8
165.12746	6.8
167.10686	2.6
169.10147	3.4
169.12233	2.3
171.11691	3.7
173.09659	2.7
173.13257	8.6
177.09175	2.4
177.12712	14.2
179.10678	9.2
181.12210	8.5
183.11838	2.4
183.13794	28.8
187.11157	3.6
187.14908	1.7
189.12814	2.1
191.14325	4.5
193.12195	3.7
195.13857	7.0
197.13220	2.3
201.12801	3.5
203.12607	2.2
205.12175	3.9
207.13860	5.6
211.13271	2.1
215.14421	2.5
215.17877	3.6
219.13834	6.1
223.13252	4.2
229.14331	3.7
229.19533	9.7
233.15263	3.2
237.14896	4.8
239.18013	5.4
247.20596	22.9
257.18991	15.6
265.21552	10.6
275.20068	90.3
276.20398	7.1
289.21738	3.3
293.21088	74.9
294.21417	4.8
304.18387	1.8
307.19153	3.3
307.22647	49.6
307.26062	3.0
308.22879	3.8
318.50607	1.8
325.16095	3.2
325.24005	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	325.2374
Annotation	(-)-Pironetin
Peak:m/z	Relative Intensity
51.02375	1.5
53.03941	4.1
53.15553	1.8
55.01876	14.2
55.05512	61.8
57.03436	10.4
57.07072	8.0
65.03945	3.8
67.05505	100.0
68.05823	1.7
69.03425	7.1
69.07066	41.7
69.72895	3.0
69.73244	5.0
71.04990	6.6
71.08632	11.6
73.06564	1.9
77.03918	2.5
79.05493	46.8
81.03412	11.9
81.07055	98.7
83.04980	15.8
83.08621	38.0
85.02915	7.2
85.06532	11.4
85.10167	4.4
91.05476	53.6
93.07044	61.1
95.04966	37.5
95.05537	3.2
95.08606	65.4
95.09215	3.4
96.08949	2.3
97.02888	2.8
97.06546	12.3
97.10163	16.5
99.04421	2.5
99.08067	11.8
105.07030	44.5
106.07336	2.4
107.04958	17.1
107.08594	52.9
109.06504	14.0
109.10155	54.0
111.04456	4.5
111.08067	13.4
113.06088	1.9
113.09637	6.3
114.38831	1.8
117.07036	12.5
119.08584	25.9
121.06513	14.3
121.10146	21.7
123.08070	10.4
123.11714	17.0
125.09624	14.6
127.07533	2.3
129.06990	2.5
131.08574	21.1
133.06479	2.1
133.10129	77.7
134.10480	1.8
135.08044	8.4
135.11682	19.9
136.31291	1.6
137.09625	16.2
137.13248	2.3
139.07509	1.7
141.09123	6.6
143.08649	1.8
145.10127	24.2
147.08041	4.6
147.11656	10.7
149.09610	22.8
149.13269	5.9
151.11179	75.2
152.11522	3.2
153.12778	4.7
155.08636	2.2
155.10663	2.8
157.10144	4.5
159.08105	2.7
159.11699	12.1
161.09633	5.0
161.13229	4.9
163.11200	21.7
163.14874	2.9
165.09074	1.8
165.12746	6.8
167.10686	2.6
169.10147	3.4
169.12233	2.3
171.11691	3.7
173.09659	2.7
173.13257	8.6
177.09175	2.4
177.12712	14.2
179.10678	9.2
181.12210	8.5
183.11838	2.4
183.13794	28.8
187.11157	3.6
187.14908	1.7
189.12814	2.1
191.14325	4.5
193.12195	3.7
195.13857	7.0
197.13220	2.3
201.12801	3.5
203.12607	2.2
205.12175	3.9
207.13860	5.6
211.13271	2.1
215.14421	2.5
215.17877	3.6
219.13834	6.1
223.13252	4.2
229.14331	3.7
229.19533	9.7
233.15263	3.2
237.14896	4.8
239.18013	5.4
247.20596	22.9
257.18991	15.6
265.21552	10.6
275.20068	90.3
276.20398	7.1
289.21738	3.3
293.21088	74.9
294.21417	4.8
304.18387	1.8
307.19153	3.3
307.22647	49.6
307.26062	3.0
308.22879	3.8
318.50607	1.8
325.16095	3.2
325.24005	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	325.2375
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	85.7
55.05513	52.6
56.02193	1.2
56.77163	0.9
57.03439	14.9
57.07073	6.0
59.05007	1.7
67.05507	34.7
68.05830	1.3
69.03425	1.7
69.06770	1.5
69.07072	18.7
69.85807	2.7
69.86163	2.1
71.04983	5.2
71.08646	2.5
79.05490	22.2
81.07058	38.8
83.04980	13.8
83.08623	12.2
85.06531	2.7
91.05476	7.5
93.07046	30.1
94.07365	1.4
95.04965	3.0
95.08605	29.0
97.06528	5.2
97.10166	20.5
98.22768	1.7
98.97569	1.2
100.40602	1.3
105.07018	4.2
107.08601	25.6
109.06505	2.2
109.10161	22.1
111.08092	7.2
111.11723	1.3
117.07010	1.9
119.08566	4.5
121.06504	2.5
121.10143	19.4
123.08083	1.9
123.11713	14.0
125.09632	100.0
126.09960	1.5
127.07603	1.1
130.03922	1.1
131.08594	5.3
133.10130	3.9
135.08046	4.9
135.11690	18.5
136.12032	1.5
137.09610	4.3
137.13217	3.4
139.07558	1.3
139.11092	1.1
141.09128	2.9
145.10112	4.2
147.11607	1.8
149.09595	4.9
149.13246	6.9
151.11150	2.6
153.09100	4.6
153.12723	5.7
155.10696	1.4
159.11702	3.5
163.11136	3.1
163.14882	1.5
167.10625	3.1
177.12709	2.3
181.12219	4.3
191.17947	3.3
205.19530	16.2
206.19875	1.5
207.79791	1.2
215.18039	8.2
223.20581	8.2
233.19011	15.1
242.20932	1.3
251.20084	48.6
252.20328	3.6
273.18408	1.3
275.19928	1.7
291.19525	3.2
325.23706	62.7
326.24017	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	326.0573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12226	0.6
56.01982	0.6
68.28654	0.6
69.03412	0.7
69.45730	1.5
69.46117	1.3
76.17043	0.7
78.08161	0.8
81.03409	0.9
97.02877	2.8
98.22739	0.9
98.98470	35.3
101.00871	3.0
109.02874	1.4
113.03486	3.3
119.01928	5.8
120.01997	1.0
137.02939	0.6
156.97450	1.4
157.97578	0.8
158.97215	2.7
158.99905	1.9
174.99306	4.3
175.98705	0.7
177.00949	9.4
178.01047	3.3
179.00691	1.1
181.00571	0.7
182.97243	1.1
185.07579	0.6
199.98306	1.9
200.98232	3.7
201.00906	2.1
202.00975	1.0
203.00696	0.6
205.00465	0.8
208.98737	1.0
212.98358	0.9
217.04095	1.9
217.99046	3.3
218.04143	0.9
218.98795	1.2
219.02002	19.5
220.02145	5.3
220.98717	0.7
221.01773	6.6
222.01915	0.7
223.01486	6.6
224.98259	2.4
225.00909	2.2
235.00017	1.0
236.00127	4.4
236.99895	1.6
240.99107	0.9
241.99103	5.8
242.09953	1.5
242.99211	5.2
243.02022	13.7
244.02103	3.3
251.00027	0.8
259.00012	1.9
260.00113	14.4
260.97119	2.5
260.99973	5.9
261.03046	100.0
262.03201	26.4
262.48404	1.1
263.02798	5.1
265.99310	1.8
266.99213	1.1
271.48792	1.0
271.98700	1.6
272.10962	0.8
278.01212	5.2
279.00870	2.8
281.98703	1.0
283.00162	3.3
284.00125	36.7
284.04803	2.1
284.99814	16.8
291.49060	0.8
291.98642	0.9
300.97983	0.8
301.00925	3.3
302.01178	47.5
302.97415	5.0
303.00891	19.9
303.04526	1.6
303.06131	1.8
304.05209	1.0
311.46124	1.1
311.96069	1.0
320.02106	1.9
321.02197	1.4
326.01776	6.6
326.12030	5.6
327.01047	2.0
344.02298	16.4
345.01990	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	326.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68511	0.5
53.63790	0.4
55.01880	2.9
55.05516	8.4
67.22581	0.4
69.03448	0.6
69.07072	16.2
69.70764	0.4
69.71090	1.5
77.01611	0.6
83.08625	33.2
84.08978	0.8
85.02904	3.0
87.08108	5.3
95.13972	0.5
96.42922	0.5
97.02941	0.5
98.98473	81.1
110.64249	0.4
111.08092	18.5
112.08450	0.5
116.99523	1.5
127.03932	0.6
129.09122	100.0
130.09464	2.6
134.06053	0.5
137.05936	0.5
145.04971	0.6
147.10161	3.8
150.05507	0.6
164.12856	1.4
173.07115	1.6
174.07867	1.3
174.99219	11.2
180.08682	1.9
228.27049	0.5
250.99986	1.9
280.14374	0.7
309.12338	0.8
326.15112	0.7
327.14163	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	326.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
53.04753	1.6
53.07878	1.7
55.01867	5.3
55.05510	11.8
57.03437	1.8
65.03938	2.3
65.09206	1.7
67.05511	34.4
69.03439	2.0
69.07070	7.5
69.98441	5.1
71.04983	3.0
79.05489	19.2
81.03432	10.8
81.03838	1.6
81.07063	21.7
83.04994	5.6
83.08633	5.7
83.76884	1.6
85.06536	2.3
91.05481	19.1
93.07051	36.2
95.04978	9.0
95.08607	58.5
97.06520	2.0
98.98473	100.0
99.94778	1.6
103.05475	2.5
105.07053	13.8
107.04971	7.2
107.08588	15.2
109.06509	4.4
109.10158	13.2
111.08067	1.9
117.07024	6.4
119.08602	13.9
121.06522	5.0
121.10166	4.8
123.08054	24.8
125.09664	2.9
129.06981	2.6
131.08598	8.2
133.10155	11.5
135.08072	7.7
135.11725	2.5
137.09612	6.7
143.08554	4.3
145.10155	4.4
147.11752	2.0
149.09639	5.4
151.11153	4.1
153.09128	2.3
159.11754	3.4
161.09621	3.6
169.12250	2.2
173.11763	6.3
174.99240	15.0
175.11230	2.7
175.70192	1.7
177.93985	2.0
273.18539	13.1
291.19525	11.8
317.83267	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	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49987	1.4
55.01876	15.5
55.05512	11.5
57.03437	3.2
57.07075	3.1
67.05155	3.3
67.05504	45.4
68.19579	1.5
69.03434	2.4
69.07068	22.8
71.04988	7.8
71.08628	6.2
72.08944	2.0
75.63208	1.6
79.05495	16.3
80.05832	1.8
81.03426	1.6
81.07058	40.0
82.07402	2.9
83.04994	8.3
83.08644	1.8
85.06543	4.8
91.05485	30.9
93.07051	22.8
94.07349	2.0
95.04958	5.9
95.08618	12.0
96.08949	1.8
97.06520	3.9
97.10193	2.0
98.22706	4.3
98.98469	100.0
99.04465	4.1
99.08105	4.9
105.07028	37.5
107.04974	2.0
107.08599	32.0
109.06536	10.7
109.10159	69.2
110.10487	2.1
113.05999	3.9
116.99494	2.2
117.07043	2.9
119.08591	5.3
121.06515	4.3
121.10157	2.8
123.08110	1.7
123.11725	13.0
127.07551	5.0
131.08574	5.6
133.06419	1.9
133.10130	95.5
134.10504	3.0
135.08051	1.8
135.11694	2.8
140.03484	1.9
145.10190	2.6
147.11499	1.9
149.09695	2.0
149.13260	1.9
151.11186	71.6
161.09595	3.9
165.12772	4.8
166.13123	5.1
169.12242	21.7
170.12553	2.4
174.99191	17.5
179.10680	2.8
182.16216	2.5
215.12828	7.6
245.18979	4.1
250.99989	4.1
262.22473	6.3
263.20120	3.2
273.18423	10.0
290.21976	11.0
291.19510	16.4
294.21393	2.2
308.23010	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05521	2.3
57.07075	1.5
67.05514	3.3
69.07077	1.5
81.07060	11.0
83.04955	1.4
83.50048	1.3
88.07637	2.4
93.07041	1.4
95.08627	2.8
98.98469	100.0
107.08609	1.8
109.06538	2.8
109.10164	1.3
111.04462	4.7
116.99463	1.6
119.50940	1.3
125.05962	1.7
135.11705	2.4
137.05984	41.2
147.11691	1.4
161.09592	2.0
168.45628	1.4
174.99223	10.6
175.11205	1.5
203.18097	1.8
223.80598	1.3
231.17447	3.6
249.18533	4.4
250.99960	1.5
277.17975	33.9
278.18350	1.7
295.18918	6.5
326.34216	3.0
326.37933	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	326.8472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06897	0.1
54.70056	0.1
69.48764	0.1
69.93114	0.1
70.30306	0.1
72.70107	0.1
77.92731	0.2
94.93013	19.0
96.92827	1.1
98.98471	3.2
109.91710	0.8
112.89590	0.7
114.89320	1.1
116.89138	0.4
121.91699	0.3
132.02928	0.1
134.40704	0.1
160.94029	16.5
161.94316	0.3
164.07085	0.2
174.99255	0.4
176.87492	0.2
184.88045	1.2
197.88814	0.4
198.89630	1.2
200.91141	0.2
202.89110	0.2
208.88385	0.2
210.99791	0.2
212.85190	0.4
214.85057	0.3
216.90686	4.9
217.91043	0.1
218.92249	0.4
243.89386	10.9
244.90108	1.2
246.89996	0.4
248.87276	0.2
248.89662	0.4
250.89488	2.1
252.89343	0.4
252.97415	0.1
254.86305	0.5
272.87296	0.2
282.85886	0.4
300.86792	100.0
301.83987	0.2
301.87170	2.4
302.87164	0.1
318.87921	0.3
326.84802	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	327.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	2.0
57.03437	4.6
61.02916	1.0
69.03417	2.0
70.02625	0.8
70.02957	8.8
71.01326	2.5
73.02910	1.6
75.75251	0.8
82.99850	3.1
84.03022	0.9
85.02894	2.7
86.09683	2.0
91.49321	0.7
94.99834	1.6
97.02868	1.7
98.98469	43.5
101.00230	1.4
101.00877	22.5
102.00961	0.7
113.00870	17.1
115.02435	0.9
115.03930	1.2
116.98623	0.8
116.99429	1.0
119.01921	28.5
120.02062	1.1
131.01906	25.2
131.02902	1.6
132.02028	1.2
133.03418	1.5
133.04935	1.1
135.00359	1.4
136.01201	0.9
136.03903	1.1
137.02931	2.7
139.02383	2.4
143.01910	7.0
145.03490	1.6
149.02957	1.5
153.01437	7.3
155.01892	18.2
155.03069	1.6
156.02049	0.8
157.03461	14.3
158.03606	1.0
161.02960	15.5
162.03020	1.4
167.01894	4.6
170.02989	1.6
171.02513	58.5
172.02634	3.0
173.01482	1.3
173.02957	22.4
173.04414	1.4
174.03072	1.1
174.99220	7.2
175.04491	5.0
177.01410	0.9
179.04512	0.9
182.02968	2.7
185.02940	18.8
189.03566	100.0
190.03664	5.6
191.04005	2.6
195.02525	15.0
195.04297	1.9
203.03947	1.8
207.02493	10.6
209.04054	1.6
212.05203	0.8
213.03563	95.0
214.03705	5.9
215.03923	8.6
219.02077	1.2
225.03566	37.4
226.03723	2.6
227.05083	5.4
231.04622	40.0
232.04880	1.2
232.96393	1.0
233.05055	25.1
234.05203	1.3
236.04980	1.0
236.99757	0.7
237.03571	8.3
239.05356	0.9
243.04642	8.2
244.22049	0.7
249.03578	2.3
250.99915	1.1
255.04616	13.0
260.99780	2.0
262.03207	1.3
263.02817	0.9
263.65182	0.8
267.04590	4.4
279.00763	1.6
284.99835	5.1
285.05753	4.5
285.08521	0.9
303.00964	6.0
303.06735	2.8
304.17902	1.1
327.06720	87.8
328.06772	5.6
331.00046	0.7
345.01990	2.1
345.07831	6.8
346.04889	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2169
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
55.01870	2.6
55.05505	2.2
58.06594	0.9
62.23009	0.8
66.06978	0.8
67.05510	1.2
69.07047	1.4
69.63920	2.6
70.71240	0.9
71.91315	0.7
74.06097	0.8
79.05489	1.9
81.07058	10.2
83.04960	1.3
83.08634	1.1
93.07034	1.2
95.04990	1.1
95.08594	2.2
97.06489	0.8
97.31762	0.8
98.22739	1.2
98.98469	100.0
100.84721	0.9
105.07021	1.7
107.08601	1.0
109.06522	4.0
109.57406	0.7
111.04457	4.7
116.99542	1.5
119.08595	1.3
121.10156	1.3
124.20776	0.7
125.05978	1.2
125.84235	0.7
133.10118	1.1
135.11705	1.4
135.97118	0.9
137.05981	35.2
138.06274	1.2
140.01143	0.8
145.10205	0.9
147.11717	1.5
161.09612	1.9
163.11089	0.8
165.09059	0.8
165.90190	0.8
174.99228	15.0
175.11214	1.3
203.17836	1.2
231.17415	2.2
249.18520	3.1
251.00063	2.2
277.18021	28.5
278.18246	1.9
295.18997	3.1
328.13882	0.9
328.32184	1.6
343.08652	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2168
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
53.03957	1.1
55.01868	3.8
55.05516	19.2
57.03434	1.8
59.85427	1.1
61.24385	0.9
64.97763	0.9
65.03933	1.1
67.05507	11.4
67.28681	1.0
69.03420	1.4
69.07062	7.6
69.25672	1.0
69.35983	4.1
70.26723	1.0
79.05499	9.6
81.03429	4.1
81.07065	26.1
83.04979	5.2
83.08623	12.8
85.02892	1.6
91.05479	4.8
93.07051	8.1
95.04979	4.3
95.08603	7.1
97.06536	2.6
97.10176	24.1
98.23418	2.3
98.98473	100.0
99.04433	1.3
99.08107	2.6
105.07052	5.4
107.08593	7.2
107.70055	1.0
109.06525	1.7
109.10162	4.0
111.04441	4.5
111.08107	3.6
116.99457	1.1
117.07034	2.7
119.08575	4.6
121.06502	2.3
121.10175	3.1
121.37607	1.0
123.08064	14.3
123.60241	0.9
125.09638	19.5
133.10060	1.3
135.08066	2.4
135.11696	3.1
137.09645	4.0
139.11180	2.6
143.08563	1.3
145.10136	3.0
147.08051	2.2
149.09605	1.9
153.09152	1.8
153.12752	2.0
157.10106	2.1
163.11174	7.5
165.09094	2.9
171.10179	2.6
174.99236	16.6
181.12270	2.9
189.11217	22.7
189.12808	1.6
191.10667	2.5
193.12274	4.8
211.13359	1.9
227.12769	2.8
251.00069	3.3
255.17451	1.3
273.18527	10.3
291.19568	39.8
292.20010	3.1
309.20654	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01868	3.8
55.05516	19.2
57.03434	1.8
59.85427	1.1
61.24385	0.9
64.97763	0.9
65.03933	1.1
67.05507	11.4
67.28681	1.0
69.03420	1.4
69.07062	7.6
69.25672	1.0
69.35983	4.1
70.26723	1.0
79.05499	9.6
81.03429	4.1
81.07065	26.1
83.04979	5.2
83.08623	12.8
85.02892	1.6
91.05479	4.8
93.07051	8.1
95.04979	4.3
95.08603	7.1
97.06536	2.6
97.10176	24.1
98.23418	2.3
98.98473	100.0
99.04433	1.3
99.08107	2.6
105.07052	5.4
107.08593	7.2
107.70055	1.0
109.06525	1.7
109.10162	4.0
111.04441	4.5
111.08107	3.6
116.99457	1.1
117.07034	2.7
119.08575	4.6
121.06502	2.3
121.10175	3.1
121.37607	1.0
123.08064	14.3
123.60241	0.9
125.09638	19.5
133.10060	1.3
135.08066	2.4
135.11696	3.1
137.09645	4.0
139.11180	2.6
143.08563	1.3
145.10136	3.0
147.08051	2.2
149.09605	1.9
153.09152	1.8
153.12752	2.0
157.10106	2.1
163.11174	7.5
165.09094	2.9
171.10179	2.6
174.99236	16.6
181.12270	2.9
189.11217	22.7
189.12808	1.6
191.10667	2.5
193.12274	4.8
211.13359	1.9
227.12769	2.8
251.00069	3.3
255.17451	1.3
273.18527	10.3
291.19568	39.8
292.20010	3.1
309.20654	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.1
55.01880	16.1
55.05511	15.9
55.05735	2.7
57.07068	6.8
57.51623	2.1
59.05005	3.4
65.03938	4.7
66.91633	2.1
67.05506	29.2
67.36929	2.1
69.03427	3.3
69.07062	13.7
69.87967	6.9
71.04996	2.4
76.76485	2.1
77.03938	4.3
79.05496	18.7
81.03423	3.8
81.07057	23.9
83.04963	3.6
83.08614	5.9
85.06535	5.0
91.05480	31.5
93.07051	67.2
95.04973	73.1
95.08614	53.1
97.06525	12.5
97.10187	3.0
98.97819	5.1
98.98470	100.0
105.04536	4.8
105.07035	41.2
107.04937	3.2
107.08602	31.8
109.06544	11.2
109.10152	18.5
117.07031	13.6
119.08579	49.4
121.06538	15.0
121.10130	25.0
123.08057	11.0
123.11707	7.2
125.09642	28.5
127.62619	2.4
128.06221	3.9
129.07007	6.7
130.07864	2.7
131.08580	21.5
133.10135	35.2
135.08080	10.8
135.11708	12.1
137.09593	5.6
141.06955	2.8
142.07770	8.0
143.08560	11.2
144.09340	5.1
145.06488	3.1
145.10135	33.2
147.07964	2.3
147.11703	11.9
149.09674	4.2
149.13220	6.8
151.11172	4.1
152.06174	12.2
153.06990	8.5
155.08551	5.3
156.09308	5.8
157.10146	27.9
159.08102	3.4
159.11699	42.0
161.09590	16.3
161.13274	7.7
163.11206	3.7
163.14923	2.7
167.08669	3.6
168.05656	2.7
169.10150	10.0
170.10881	2.7
171.11694	8.5
173.09708	4.3
173.13251	12.0
174.99193	18.4
175.11211	3.7
175.14835	16.9
177.12686	4.5
181.10153	5.7
182.10945	3.3
183.11668	8.9
185.13260	5.2
187.11208	7.5
187.14798	9.5
189.16324	4.0
195.11656	4.6
197.13280	7.5
198.59665	2.1
199.14848	10.3
201.16396	3.8
205.15909	2.8
207.11661	2.7
209.13333	5.3
211.14806	4.9
215.02539	2.5
215.14317	5.1
217.15845	4.8
225.16377	7.2
227.14471	3.0
228.09352	4.0
233.03616	10.5
235.14757	3.7
239.17970	2.9
251.04701	7.8
253.15854	2.8
275.20160	4.9
293.21078	4.7
309.22079	5.4
327.07819	48.1
327.23199	13.8
332.46671	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	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99116	1.4
53.03938	1.5
55.01868	10.1
55.05516	12.4
57.06161	1.4
57.07070	5.2
59.05001	2.2
65.03945	1.6
67.05505	16.7
69.07073	11.8
69.78559	1.6
69.78876	4.2
71.04989	2.9
79.05484	10.8
81.07066	18.6
83.08624	4.4
85.06516	2.5
91.05476	18.1
93.07043	42.0
95.04971	43.3
95.08607	32.2
97.06538	7.6
97.10148	2.3
98.98467	100.0
105.07027	32.5
107.04972	2.0
107.08588	20.9
109.06517	6.3
109.10155	14.7
116.99519	1.7
117.07024	8.4
119.08578	31.3
121.06515	9.1
121.10156	17.3
123.08066	8.3
123.11706	4.9
125.09619	11.5
129.07045	3.1
130.07848	2.0
131.08560	16.3
133.06442	2.3
133.10126	26.5
135.08072	5.6
135.11700	8.5
137.09637	4.6
141.06970	2.6
142.07790	4.4
143.08549	12.8
144.09338	2.8
145.10112	19.4
147.07993	2.0
147.11705	9.5
149.09550	2.1
149.13249	1.5
155.08556	4.8
156.09314	2.6
157.10136	16.5
158.10892	3.2
159.11713	23.8
161.09645	9.9
161.13269	4.2
167.08524	1.6
169.08830	1.3
169.10097	9.6
170.10927	2.2
171.11687	8.9
173.09630	2.1
173.13229	8.9
173.53577	1.3
174.99232	11.6
175.11308	1.6
175.14825	10.7
179.08620	2.8
179.10585	1.7
181.10130	2.3
183.11760	4.7
184.12494	2.1
185.13184	7.2
187.11230	5.2
187.14864	9.0
189.16347	2.3
191.14264	1.9
195.11702	1.8
196.12512	1.9
197.13245	5.1
199.14781	7.2
201.16406	3.2
205.15904	2.1
206.10963	2.3
207.11757	2.0
209.13330	3.8
211.14856	3.7
213.16359	2.2
215.14311	2.0
217.15884	3.6
219.17386	1.5
220.12222	1.4
221.13322	2.6
223.14696	1.9
225.16478	1.9
227.14351	2.0
235.14799	3.3
235.16922	1.9
257.18970	1.8
275.20059	1.8
293.21252	1.9
309.22098	4.5
326.34500	1.6
327.07846	2.6
327.23059	7.1
327.34351	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	327.2321
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
53.03945	1.3
55.05518	7.5
55.45637	1.5
57.03439	4.2
67.05224	1.1
67.05515	10.1
69.03427	4.1
69.07066	8.6
69.41649	6.5
69.95618	1.2
71.05002	6.4
79.05485	8.7
81.07072	8.9
83.04974	2.5
91.05470	11.3
93.07048	25.9
95.04965	18.4
95.08609	29.5
97.06523	2.5
98.23473	2.5
98.98470	100.0
105.07029	26.9
107.08598	20.4
109.06505	4.8
109.10156	3.3
115.05450	2.1
117.07023	10.0
119.06049	1.7
119.08559	9.0
121.06526	6.5
121.10163	7.0
123.08074	6.7
123.11701	2.0
128.06178	1.5
129.07065	1.8
130.07788	5.7
131.08578	2.8
133.10138	4.2
135.08057	17.9
135.11662	7.7
143.08595	2.9
145.10118	31.7
147.08105	1.5
147.11664	3.0
149.09515	3.0
157.10153	2.2
159.11728	2.8
161.09618	2.4
163.11186	28.5
164.11543	1.7
165.12744	3.6
169.10124	2.3
174.99222	13.3
191.14301	8.1
193.15904	2.2
205.15872	17.5
217.15822	2.9
225.74600	1.3
243.17255	1.5
247.16980	2.5
248.96619	1.6
251.00055	3.4
270.19666	2.0
309.22046	2.2
327.23178	52.0
328.23392	3.0
333.69189	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.8
59.05004	18.8
69.03432	1.5
70.14902	1.8
71.20201	0.6
72.08175	0.8
73.06560	91.9
73.38582	0.6
73.66437	0.5
74.06878	0.9
75.33698	0.6
81.03422	0.7
85.02903	5.4
86.09715	1.2
87.79077	0.6
88.48029	0.6
97.02893	1.7
98.98473	100.0
100.98908	1.0
116.99514	1.2
117.09158	4.6
120.08118	1.0
127.03921	0.7
131.10690	10.6
140.07381	0.6
148.07559	0.7
149.11742	40.3
150.12106	0.7
174.99239	9.1
175.99522	0.7
176.98938	3.8
252.99686	1.4
328.11945	0.8
329.11765	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.248
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.3
55.01619	1.2
55.01873	18.3
55.05511	13.8
57.03442	0.9
57.07064	2.8
60.04528	3.6
64.34353	0.7
67.05506	12.9
67.28648	0.8
69.03439	1.1
69.07062	6.2
70.70493	1.1
71.04987	1.2
71.08607	1.1
74.06084	4.9
79.05503	8.3
81.03418	2.1
81.07061	10.6
83.04984	2.5
83.08614	3.5
83.56647	0.7
84.08160	0.8
85.06542	1.4
91.05484	5.2
93.07061	6.0
95.04984	3.2
95.08611	8.2
97.10161	3.8
98.98470	100.0
99.08121	1.5
104.99294	1.5
105.07029	4.0
107.04959	2.9
107.08602	5.2
109.06527	1.5
109.10153	6.1
111.04497	0.9
113.09651	1.0
114.10058	0.8
116.99503	2.4
117.07009	1.4
119.08583	3.1
121.06598	0.7
121.10125	3.9
123.08092	1.3
123.11686	0.8
125.09640	30.0
126.09891	1.1
131.08554	2.7
133.10118	5.8
135.08107	1.4
135.11702	1.4
137.09596	4.7
140.01094	1.1
145.10158	2.1
147.11780	1.2
149.09641	1.3
149.13306	1.0
151.11177	4.7
151.45660	0.8
157.09924	0.8
163.11230	2.2
167.10718	2.0
169.12265	1.2
173.13182	1.1
174.99214	9.2
175.99579	1.0
176.98923	4.7
177.12785	3.4
181.12238	1.2
189.11154	0.9
191.14310	1.6
195.13799	0.9
209.11778	1.0
224.64989	0.9
229.19562	1.2
247.00565	0.8
247.20595	1.0
250.99991	1.3
252.99791	1.7
257.19058	2.9
265.21658	1.4
275.20078	8.7
276.20547	1.2
293.21127	12.1
304.54468	1.0
310.31064	2.7
328.25806	1.0
328.32022	5.9
329.17358	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	8.5
55.05511	69.7
67.05503	20.9
68.13438	2.2
69.03445	6.4
69.07067	29.0
69.75022	5.6
79.05493	31.8
81.07055	21.5
81.40717	2.2
83.04996	5.0
83.08621	52.3
90.38876	2.3
91.05482	13.4
93.07027	15.9
95.08614	9.8
97.10172	95.5
98.10478	2.7
98.98466	93.9
101.06013	2.5
105.07044	16.3
107.08591	100.0
109.10163	3.6
111.08108	3.7
119.08595	11.1
121.10158	4.0
125.09631	78.9
131.08592	4.2
133.10143	9.5
135.08078	7.6
135.11658	3.4
143.10605	4.5
145.10136	6.7
147.11713	7.9
149.09627	4.3
153.09105	4.6
159.11699	2.9
171.10201	12.6
171.11499	2.8
174.99330	6.2
176.99017	3.3
181.12254	4.4
189.11220	98.4
190.11546	3.1
208.11298	2.4
220.27567	2.6
244.26662	2.4
257.18951	12.1
275.20050	86.0
276.20459	6.6
287.92715	2.6
293.21103	9.0
329.17044	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	328.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.8
55.05513	6.2
56.05856	0.8
57.07074	1.9
67.05515	6.0
69.07051	3.0
69.32647	0.7
69.76366	0.6
70.06577	1.0
71.05011	1.2
71.08614	1.0
73.30318	0.6
74.06072	3.7
79.05494	2.8
81.03409	0.7
81.07062	4.1
82.07402	0.7
83.05005	1.3
83.08619	2.8
84.46960	0.6
91.05482	2.9
93.07043	3.7
94.37454	0.7
95.04993	1.6
95.08587	4.3
97.06554	0.8
97.10188	2.7
97.40318	0.6
98.98466	100.0
100.98860	0.7
104.99266	3.3
105.07042	1.8
107.04944	2.1
107.08586	1.7
109.06480	0.9
109.10167	2.7
116.99501	2.2
117.50355	0.7
119.08575	1.5
120.98992	0.6
121.10178	0.8
125.09634	15.1
126.09969	0.8
131.08551	0.9
133.10138	1.8
135.08064	1.8
137.09637	1.6
139.11131	1.0
140.01129	0.7
147.11659	0.8
151.11208	1.5
152.87341	0.6
153.09175	0.7
163.14886	1.1
165.09108	1.1
166.09476	1.5
167.10716	1.8
172.94379	0.7
173.11818	0.7
174.99225	11.6
175.99541	0.8
176.98929	3.3
177.12764	2.2
194.12616	1.1
195.13730	0.8
209.11864	0.6
224.74210	0.6
228.68672	0.7
232.96501	1.0
247.00529	1.5
250.99942	0.8
252.99724	1.7
257.18936	1.6
275.20056	4.5
276.20764	0.7
292.19839	3.7
293.21103	5.7
296.30737	0.7
317.91461	0.6
319.47839	0.7
328.22552	2.3
328.32208	4.0
329.23145	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03381	0.4
50.39267	0.4
53.03931	0.6
55.01863	0.5
55.05511	4.4
57.03431	1.0
57.07074	0.6
65.91346	0.4
67.05510	11.0
69.03440	0.8
69.07069	3.7
69.29906	2.6
71.05015	1.0
77.03929	0.4
79.05496	10.9
81.03400	1.0
81.07053	6.0
83.05003	1.1
83.08622	2.7
85.06540	0.5
91.05476	5.5
93.07041	8.8
95.04967	2.7
95.08606	4.8
97.06531	0.7
97.10175	1.8
98.98469	100.0
99.08039	0.5
99.72614	0.4
100.98893	0.8
104.99274	1.6
105.07043	4.0
107.04958	0.5
107.08598	5.2
109.06543	1.1
109.10162	4.7
111.08048	0.5
116.98780	0.5
116.99512	2.0
117.07047	1.1
119.08601	3.4
121.10148	6.4
123.11709	0.8
123.73246	0.4
125.09634	2.1
129.07047	0.4
131.08568	1.7
133.10143	2.6
135.11734	0.9
137.09628	1.8
139.11131	0.6
140.01103	0.6
145.10127	1.1
147.11688	1.6
147.97012	0.4
149.09605	0.9
155.10689	1.1
157.10179	0.7
159.11659	1.4
161.13278	0.7
163.11227	0.8
168.44061	0.5
169.10097	0.6
172.94350	0.6
173.11754	4.1
173.13129	0.8
174.99226	8.9
175.99562	0.6
176.98943	3.5
177.12625	0.5
189.11240	1.7
193.12215	0.6
211.13309	0.7
232.96567	0.7
247.00342	0.6
250.99945	1.0
252.99728	1.5
275.20142	4.4
293.21118	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12452	1.9
52.08690	2.1
53.03942	3.7
55.01869	4.8
55.05511	35.1
57.03431	7.5
61.95748	2.3
65.03916	3.4
67.05163	4.6
67.05504	77.0
68.05856	2.4
69.03432	5.5
69.07061	26.2
69.63388	9.9
70.00047	2.1
71.04983	6.7
74.77213	2.3
77.03937	2.2
79.05489	61.3
79.84453	2.0
81.03415	12.6
81.07057	54.4
82.07414	2.3
83.04970	8.7
83.08621	21.3
85.06527	5.2
91.05479	42.2
93.07047	58.1
95.04968	24.2
95.08609	46.2
97.06527	7.6
97.10156	12.9
98.98464	100.0
101.53799	2.2
105.04509	3.0
105.07024	32.4
107.04955	3.1
107.08579	46.8
109.06516	5.5
109.10156	50.2
111.08069	5.9
117.07021	11.1
119.08562	34.8
121.06468	3.0
121.10133	37.0
123.08102	4.3
123.11691	7.1
125.09618	13.5
129.07007	3.9
131.08566	15.0
133.10117	28.0
135.08022	4.6
135.11755	5.1
137.09618	24.4
139.11153	5.0
143.08560	3.9
145.10123	14.5
147.11662	11.9
149.09637	6.4
154.12122	2.3
155.10641	15.6
157.10095	3.6
159.11694	6.6
161.13260	5.1
163.11208	4.3
171.11732	3.9
172.13368	2.7
173.11798	24.5
173.13226	5.4
174.99203	11.8
175.14751	2.7
176.98894	4.1
183.11688	3.0
185.13335	2.2
187.11209	3.6
189.11206	7.6
189.16347	2.3
193.12263	6.1
211.13275	4.8
223.13167	5.0
235.16937	4.6
239.17915	3.7
257.19003	5.2
275.20065	33.1
276.20346	4.4
293.21106	7.9
304.22061	2.6
329.17117	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	328.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50439	0.9
53.03931	0.8
55.01867	1.5
55.05513	5.5
57.03452	2.1
67.05508	16.4
69.03428	2.0
69.07069	7.7
69.97174	2.1
71.05003	1.4
77.03865	0.9
79.05495	12.7
81.03422	1.2
81.07056	16.0
83.04978	2.4
83.08617	4.3
85.06544	1.6
91.05476	11.8
93.07051	11.9
95.04939	2.7
95.08626	9.8
95.09968	1.0
97.06535	5.4
97.10179	2.4
98.98470	100.0
104.99261	2.3
105.07039	11.4
107.04928	1.0
107.08585	9.2
109.06502	2.8
109.10153	4.3
111.08088	1.3
116.99521	1.6
117.07037	3.6
119.08566	6.9
121.10148	4.6
122.52649	0.9
123.08081	2.4
123.11669	1.0
125.09571	1.0
129.07024	1.4
131.08557	4.1
133.10144	6.2
135.08008	1.1
135.11676	4.2
137.09677	1.2
139.11084	0.9
145.10129	3.6
147.11679	4.5
149.09563	1.7
149.13251	2.0
155.10712	1.3
157.10191	1.3
159.11673	3.6
161.13240	1.9
163.11134	1.2
171.11682	1.6
173.11819	2.1
173.13237	1.7
174.99216	10.2
176.98938	3.1
177.12737	1.3
181.12259	2.8
183.83952	1.1
185.13145	2.0
193.12297	1.0
195.13776	2.5
201.12686	1.3
219.17549	1.1
221.15398	1.4
223.42805	0.8
232.96576	1.1
235.17000	1.2
243.52434	0.9
252.99657	1.5
257.19092	1.5
275.20050	10.9
293.20706	1.2
328.18845	15.5
329.17413	4.1
337.47171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01868	1.8
55.05506	3.6
57.03438	0.9
57.07084	3.9
67.05504	7.0
68.69445	0.6
69.07066	4.8
69.68626	2.1
70.06584	1.8
71.04986	1.0
79.05492	6.4
79.11359	0.5
81.07060	16.7
83.04972	1.3
83.08615	2.9
86.09733	0.7
91.05483	5.2
93.07056	5.3
95.04965	3.0
95.08611	5.4
97.06557	1.1
97.10177	0.7
98.98470	100.0
99.04442	0.6
99.08108	0.9
100.98853	1.1
104.99295	1.3
105.07041	5.7
107.04958	1.8
107.08603	4.4
109.06519	6.4
109.10143	4.0
111.08105	1.7
116.99510	2.8
117.07037	2.2
119.08614	5.3
121.06510	1.6
121.10159	3.2
123.04367	0.8
123.08043	2.5
123.11687	1.4
129.07059	0.9
131.08565	2.0
132.10199	1.2
133.10129	4.0
135.08067	1.5
135.11693	1.8
137.09679	1.5
140.01114	1.1
145.10124	2.6
146.11797	1.0
147.11684	4.8
149.09639	2.8
149.13293	1.4
151.03900	1.0
157.10175	1.1
159.07970	0.6
159.11736	2.9
161.09650	0.8
161.13231	1.1
163.11133	1.5
165.12823	1.3
173.09639	0.7
173.13219	0.9
174.99236	10.5
175.11211	0.9
176.98946	5.9
177.12756	1.3
187.11272	0.6
191.10645	1.0
193.12245	0.7
197.13377	0.8
199.06015	1.7
209.11778	1.5
229.19630	0.9
232.96497	0.8
236.20181	0.8
239.17990	1.2
247.20688	1.0
250.99933	0.6
252.99774	1.7
255.12163	1.3
257.19058	2.6
265.18015	3.0
275.20087	23.0
276.20514	1.7
293.21075	11.8
311.18506	8.1
328.32126	10.5
328.35953	0.8
329.17380	1.1
329.21060	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
54.99044	1.4
55.01871	55.5
55.05510	28.4
57.03428	2.3
57.07076	3.5
65.03954	1.5
67.05500	20.9
69.07070	10.9
69.97021	1.7
69.97353	3.1
70.51442	1.5
71.04990	2.6
79.05487	11.6
81.03417	2.8
81.07052	24.6
82.07422	1.8
83.04993	3.9
83.08617	6.0
85.06538	2.3
91.05481	15.3
92.05824	2.9
93.07047	17.4
94.07384	4.5
95.04967	18.9
95.08604	18.3
96.05307	4.6
96.08955	3.5
97.06552	4.9
97.10165	9.1
98.98465	100.0
104.99281	4.3
105.07030	14.8
106.07378	4.2
107.04955	8.0
107.08590	11.4
108.08918	2.5
109.06535	6.2
109.10159	11.1
110.10484	1.7
116.99487	1.6
117.07004	4.3
119.08589	11.6
120.08929	5.0
121.06522	5.4
121.10168	9.9
122.10497	1.8
123.08067	5.2
123.11659	1.3
124.08461	1.5
125.09627	81.8
126.09892	2.0
131.08574	5.9
132.08939	1.6
133.06467	2.4
133.10103	10.5
134.10510	3.6
135.08075	5.9
135.11679	3.2
136.12041	1.6
137.09624	7.9
138.09901	1.3
142.07823	1.5
143.08562	2.4
145.10129	8.2
146.10437	4.0
147.07973	1.7
147.11754	2.4
148.12114	1.7
149.09639	2.8
149.13257	2.4
151.11162	8.9
157.10075	2.6
158.10530	4.5
159.08154	1.9
159.11765	6.5
160.12057	4.8
161.09648	3.4
161.13226	2.1
163.11235	4.4
165.09215	1.3
169.12260	2.3
170.10468	1.6
171.11613	1.8
172.12053	1.9
173.13278	4.0
174.13609	2.0
174.99246	10.0
175.14799	1.6
176.15129	2.8
176.98920	4.6
177.12697	8.1
181.12245	2.7
186.13777	1.4
188.15121	2.3
191.14317	2.9
195.13783	2.1
198.13567	1.8
200.15182	2.2
210.13728	1.3
229.19604	1.9
230.24818	2.7
247.00412	1.6
257.18976	3.7
265.21738	2.4
275.20050	15.2
287.49225	1.4
292.21609	1.4
293.21103	16.8
310.22525	2.2
310.31021	3.8
328.23627	3.8
328.32309	3.1
328.35788	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	329.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86018	0.6
57.07078	0.7
70.06610	0.9
70.14500	0.7
70.14839	1.3
88.07626	1.6
96.16737	0.6
97.36641	0.5
98.98470	38.4
104.99281	1.4
105.07019	0.6
106.08697	0.7
120.17307	0.5
174.99225	4.7
176.98944	2.0
219.54576	0.6
329.20871	100.0
330.21143	6.4
330.29773	1.9
330.33615	9.2
348.70856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07982	0.5
57.07076	12.1
58.21593	0.4
63.02363	0.8
63.55441	0.5
65.03940	2.7
67.05496	0.5
69.07079	2.4
69.90306	1.2
73.54110	0.4
75.02341	0.6
85.06522	0.9
86.09706	45.4
86.76161	0.4
87.10065	0.8
89.03919	9.8
98.22770	0.6
98.98469	31.1
100.98949	0.4
101.08586	0.5
102.54493	0.5
102.61219	0.4
103.01888	0.4
103.12336	1.9
103.71313	0.4
104.99222	0.9
112.07558	0.5
115.05454	31.8
116.05803	1.0
116.99501	0.9
129.10271	2.3
143.04919	100.0
144.05257	3.3
160.07599	0.9
170.15425	6.2
171.06560	0.6
174.99240	2.7
176.98895	1.4
187.18051	7.9
213.15953	4.9
228.13849	15.1
245.16501	27.8
246.16859	1.4
247.00560	0.5
252.99649	0.6
311.21368	1.1
329.22247	28.3
330.22623	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0598
Annotation	cAMP
Peak:m/z	Relative Intensity
56.96555	0.3
60.18158	0.2
69.03429	5.0
70.73024	0.3
84.08138	0.8
85.02898	0.5
86.09698	0.8
87.02596	0.2
91.99205	0.2
94.04050	0.4
97.02896	1.3
98.22219	0.2
98.98467	36.3
100.98895	0.4
112.89594	0.2
112.98749	0.2
114.89330	0.2
116.98640	0.4
116.99474	0.6
119.01853	0.2
119.03561	1.2
124.53403	0.2
129.10275	0.6
136.06183	100.0
137.04568	0.7
137.06642	1.3
150.05466	0.2
150.09077	0.2
164.11505	0.2
164.99472	0.5
168.06429	0.2
174.47800	0.2
174.60112	0.2
174.97733	0.3
174.99211	1.4
175.99541	0.4
176.98912	1.7
202.07268	0.9
208.10330	0.2
210.09993	0.3
213.01546	0.7
216.98718	1.0
222.11897	0.3
234.99837	1.5
258.99951	0.2
270.08160	0.3
276.80090	0.2
286.09470	0.3
288.09140	0.2
298.06915	0.2
330.05960	26.7
331.06235	0.9
331.23102	0.2
348.08121	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94720	0.6
55.01867	1.5
55.05512	2.1
56.05027	3.0
57.03432	0.9
58.17833	0.6
65.03915	0.8
67.05504	20.1
69.03421	2.1
69.07073	1.7
70.14372	1.8
71.04967	1.1
75.30724	0.7
79.05490	1.3
81.03419	1.5
81.07051	11.0
83.04993	0.7
84.04504	55.3
85.02899	3.1
85.04827	1.0
86.09731	1.0
90.16621	0.7
91.05484	2.1
93.06535	0.9
93.07022	3.7
95.04974	4.0
95.08601	7.9
98.98466	88.7
99.04460	1.5
99.08080	1.0
99.98863	1.0
100.98878	1.9
102.05538	27.4
107.08584	2.7
109.02834	1.1
109.06499	2.2
109.10162	49.9
110.10494	1.2
111.04496	0.7
116.99504	1.7
119.08568	3.0
121.10117	1.6
125.05966	3.3
127.03963	3.3
130.04991	17.4
136.11099	0.8
137.09612	100.0
138.09947	3.6
147.08041	0.9
148.06026	9.3
154.12259	0.9
155.10677	13.7
165.09113	74.1
166.09456	2.4
174.99231	4.4
175.99524	0.7
176.98917	7.1
177.99272	1.0
182.11769	2.0
183.10158	8.7
201.11220	13.1
201.12936	0.9
238.14424	2.0
241.05272	0.7
243.66350	0.7
248.12798	1.1
252.99741	1.5
256.18344	0.8
266.13846	18.7
271.87997	0.9
284.14954	10.6
289.05750	0.7
312.14398	11.9
313.14487	1.1
330.12558	0.8
330.15601	11.7
331.17200	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	330.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.6
55.05509	10.5
57.07088	4.9
67.05503	20.0
69.03426	2.0
69.07074	9.9
70.06596	3.3
70.11427	2.8
70.11752	2.5
71.08629	4.3
71.28425	1.5
72.48635	1.7
79.05484	8.0
81.03429	6.3
81.07067	16.0
83.04976	2.5
83.08633	4.4
86.14780	1.5
87.04468	4.2
88.07639	3.1
91.05489	6.3
93.07040	16.6
95.04963	4.9
95.08607	17.7
97.06487	2.8
97.10192	5.2
97.13046	2.0
98.98468	100.0
104.99291	4.8
105.07024	5.1
106.08739	3.1
107.08582	6.6
109.10148	9.2
119.08592	4.2
119.84463	1.7
121.10165	6.8
123.11723	3.4
125.09628	4.9
131.08597	2.2
133.10149	3.1
135.11729	6.3
137.09619	6.5
139.11174	3.0
145.10196	2.2
147.11652	2.2
151.11174	3.1
159.11621	1.9
161.13274	2.0
174.99255	5.6
175.11218	2.4
176.98943	5.5
189.11234	2.9
277.21622	42.0
278.22156	3.4
295.22672	48.2
330.17505	15.7
330.30005	7.9
330.33676	15.5
331.18832	17.6
331.33801	2.2
346.76581	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.3
55.05517	15.2
57.03428	4.3
57.07074	3.9
63.99476	1.0
67.05507	24.9
69.03419	3.1
69.07068	13.8
69.71899	3.3
70.06593	2.6
71.04982	2.3
71.08632	10.7
72.08145	2.0
79.05491	16.1
81.03409	1.1
81.07063	28.3
83.04985	6.5
83.08626	8.7
85.06541	2.5
87.04475	5.4
88.07633	2.0
91.05495	11.4
93.07049	20.0
95.04964	5.6
95.08606	17.0
97.06557	4.9
97.10186	8.5
98.98472	66.1
99.08100	7.5
100.11256	1.6
101.06030	4.8
102.09190	1.1
103.94573	1.1
104.99291	3.8
105.07030	7.7
107.08627	10.6
109.06499	1.7
109.10155	5.8
111.08094	3.6
116.99529	1.4
117.07043	3.8
119.08573	4.8
121.10165	7.5
123.11736	2.3
125.09666	5.5
131.08592	3.5
133.10124	8.1
134.99605	1.1
135.11688	6.1
137.09641	1.4
139.11183	11.1
147.11711	3.2
149.13254	8.8
151.11188	5.1
156.17529	1.9
157.10027	1.2
159.11700	4.6
161.13235	5.6
163.11217	2.0
163.14812	1.4
165.12813	1.3
171.10162	1.5
174.99261	2.7
176.98938	3.7
177.12787	2.6
179.14357	3.2
189.11237	10.1
193.12292	1.7
195.13831	16.6
196.14160	1.3
224.10178	1.6
231.21007	1.6
241.19514	1.8
256.26413	2.0
259.20490	2.4
262.98251	2.2
268.30026	3.3
269.26688	1.1
270.27893	1.2
277.21634	22.1
278.21979	1.1
295.22675	12.6
330.29977	10.1
330.33701	10.7
331.18802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.2
55.05513	45.5
57.07069	3.0
67.05506	28.0
69.03422	2.8
69.07069	8.2
69.82864	1.9
69.92542	5.9
71.08636	48.2
79.05497	22.8
81.03435	4.0
81.07058	29.8
83.04980	5.6
83.08624	40.7
85.06566	4.4
87.04469	4.0
88.07623	3.1
91.05491	12.5
93.07058	15.2
95.04977	4.4
95.08607	18.5
97.06525	3.1
97.10172	58.5
97.18572	1.6
98.10514	3.3
98.98468	100.0
99.08099	48.5
100.98882	3.1
104.99288	5.5
105.07034	11.1
107.08592	21.6
109.06499	1.7
109.10165	4.3
111.08079	4.9
113.09667	2.7
115.26844	1.8
117.07022	3.9
119.08588	10.5
121.10150	4.4
125.09634	62.6
126.12821	2.8
129.09171	2.9
133.10129	10.6
135.08060	6.4
135.11687	4.5
137.09656	2.4
143.10674	2.5
149.13368	2.0
151.11174	31.0
151.12280	2.9
153.09137	3.6
157.08705	2.0
161.13277	19.1
163.11176	10.9
165.12790	1.9
171.10155	7.1
174.99271	4.9
176.98955	7.0
179.14325	23.7
189.11217	90.2
190.11526	2.9
206.46788	1.8
241.19490	4.4
259.20605	6.8
270.27896	2.4
277.21634	82.3
278.21915	6.2
295.22601	21.9
330.30017	5.0
330.33716	9.1
331.18738	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	330.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01870	5.9
55.05514	45.0
57.03447	16.4
57.07083	8.6
65.03949	4.7
67.05505	100.0
67.05867	4.8
69.03427	3.5
69.07065	40.1
69.96056	4.9
69.96378	4.9
71.05002	11.4
71.08628	7.7
72.08147	4.9
79.05488	36.4
81.01405	3.3
81.03441	5.7
81.07063	93.3
83.04991	17.9
83.08610	25.4
85.06510	3.7
85.10188	4.2
90.95398	3.1
91.05479	25.9
93.07047	42.0
95.04986	14.1
95.08620	47.4
97.06539	7.9
97.10163	16.7
98.98479	17.4
99.08103	11.2
101.06065	3.9
105.07056	14.5
107.08595	23.3
109.06538	6.9
109.10150	54.0
111.08094	11.0
117.07027	4.0
119.08568	23.0
121.10147	9.4
123.08104	4.5
123.11690	21.6
125.09624	18.9
131.08595	5.8
131.43581	3.1
133.10143	12.3
135.08017	5.1
135.11708	10.6
137.09605	12.1
137.13358	4.2
139.11191	9.5
141.12801	3.9
145.10193	4.4
147.11716	13.0
149.13228	6.7
151.11177	4.6
153.09091	5.8
153.12672	6.9
155.10638	30.3
159.11696	4.5
161.13295	12.9
163.11102	3.0
163.14882	3.4
165.12781	5.4
168.58095	3.2
172.87219	2.8
173.11745	48.2
175.14827	4.0
189.11224	10.3
193.12292	7.7
207.13637	4.7
211.13345	9.0
231.21179	5.3
249.22119	3.6
259.20663	10.5
268.29990	7.0
277.21628	49.8
294.24478	3.7
295.22745	31.7
330.30331	5.4
330.33752	17.3
331.18777	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.5
54.09600	1.1
55.01874	3.8
55.05510	14.3
57.03433	5.1
57.07069	3.8
67.05506	37.6
67.27182	1.2
69.03439	1.3
69.07071	12.7
69.29118	5.2
70.70159	1.2
71.04996	2.7
71.08622	3.6
79.05496	13.7
81.03416	2.9
81.07060	30.2
83.04984	7.9
83.08626	9.1
85.06563	1.8
88.07616	2.4
91.05483	11.3
93.07052	18.6
95.04978	4.3
95.08613	17.4
97.06548	3.5
97.10182	4.3
98.97822	2.3
98.98473	45.8
99.08086	2.6
101.06010	1.9
104.41414	1.3
105.07030	6.2
107.08604	7.4
109.06504	3.4
109.10168	22.8
111.08056	2.9
117.07060	2.3
119.08594	6.7
121.10110	7.9
123.08081	2.1
123.11715	5.4
125.09650	5.2
131.08595	3.6
133.10153	3.4
135.08035	1.5
135.11708	3.0
136.76617	1.3
137.09605	3.1
137.13300	2.3
139.11156	6.6
140.14326	1.5
147.11693	4.5
149.13293	4.9
151.11113	2.2
153.09062	1.6
153.12759	2.4
155.10670	7.8
157.10130	2.0
161.13268	3.5
163.11310	1.2
165.12730	2.9
171.11736	2.6
172.13315	1.4
173.11752	24.9
173.13246	1.8
174.99188	2.2
175.11200	1.6
175.14864	1.6
176.98918	3.6
189.11243	3.9
193.12247	4.3
202.86478	1.2
207.13895	1.5
211.13359	6.7
241.19429	2.6
249.22208	2.0
259.20627	2.7
265.21609	1.6
268.30133	1.9
270.44833	1.6
277.21619	17.1
278.22107	1.7
295.22610	16.3
304.52600	1.2
307.97839	1.8
330.29944	6.5
330.33722	5.4
331.18796	100.0
338.59283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27836	2.2
55.01887	4.8
55.05515	30.7
57.03443	19.9
57.07089	3.1
59.04998	4.9
67.05508	100.0
68.05827	3.1
69.07068	21.6
69.87762	4.1
71.04991	4.4
79.05502	26.4
81.03421	5.0
81.07060	67.0
83.04981	11.7
83.08631	20.5
85.06560	4.9
87.41746	2.4
91.05495	18.6
93.07054	28.5
95.04980	7.1
95.08609	28.2
97.06541	6.0
97.10186	10.5
98.23387	4.7
98.98465	33.5
105.07023	13.4
107.08569	11.8
109.09425	3.6
109.10167	69.0
111.08117	5.4
119.08579	15.7
121.10149	10.7
123.11704	8.0
125.09617	5.7
131.08594	4.4
133.10141	6.7
135.11684	6.7
137.09616	6.4
139.11182	12.1
140.14381	6.9
141.12715	5.1
147.11642	5.3
149.13293	4.9
155.10667	31.4
159.11714	3.5
161.13249	6.1
169.78920	2.6
171.11755	2.8
172.13454	3.3
173.11740	95.5
175.14845	2.9
193.12169	5.5
195.83336	2.5
211.13324	8.9
231.21121	2.9
241.19504	4.5
259.20612	4.5
260.74020	2.8
267.19324	3.0
277.21603	24.9
295.22675	18.3
330.50061	3.0
331.18811	58.8
342.85654	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	330.3366
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
51.71176	0.2
53.82525	0.3
57.06822	0.5
57.07075	6.4
58.06588	0.9
60.04518	0.3
62.06076	0.7
69.18851	0.6
69.19255	0.9
70.06591	11.9
71.08630	2.9
85.10188	0.9
88.07627	14.1
98.23487	0.5
98.98466	1.9
102.09177	4.2
106.08665	9.1
115.38371	0.3
129.42302	0.2
220.18987	0.3
268.29993	0.6
286.31030	0.9
312.29291	0.5
312.32590	5.9
312.35950	0.5
313.32932	0.4
330.33640	100.0
331.33975	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	331.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31481	0.6
56.96548	0.6
58.89199	0.5
60.90477	0.4
61.11487	0.4
62.63696	0.4
69.91018	1.1
69.91357	0.6
85.02888	0.5
98.98469	100.0
100.98871	2.4
116.99491	1.9
118.03795	0.4
121.06543	0.5
144.28226	0.5
151.07324	3.5
169.08363	63.8
170.08711	1.4
174.99243	4.6
176.98924	8.9
185.04210	16.8
246.04446	1.5
252.99843	1.8
254.99442	0.9
264.05591	0.6
282.07724	2.3
286.10880	0.7
308.04388	0.8
314.10187	1.3
331.13651	92.3
332.10715	0.5
332.14148	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	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96135	0.5
51.80367	0.5
70.18649	1.1
70.19022	0.7
91.33908	0.5
93.60561	0.4
97.10168	0.7
98.98470	6.8
126.23850	0.5
162.48245	0.5
189.11224	0.7
190.11583	0.6
278.21957	0.8
331.18787	100.0
332.19113	5.8
340.63580	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	2.0
57.07066	2.6
58.06605	1.2
67.05512	1.6
69.89355	2.0
70.06612	1.0
71.08618	1.9
74.06074	1.2
81.07043	1.7
83.08630	1.2
87.04433	1.0
88.07622	1.3
91.05495	1.1
95.08589	2.6
98.98474	71.9
100.98866	1.3
104.99236	1.9
107.08594	1.2
116.99495	1.3
121.10146	1.1
122.08148	3.3
131.08572	1.1
140.01027	1.0
149.05919	1.1
161.09602	1.6
171.40723	0.9
174.99234	3.5
176.98964	6.8
197.73141	0.9
205.12270	1.3
258.97913	0.9
259.58475	0.9
261.14706	1.5
307.97583	4.2
313.18149	1.3
330.33752	1.9
331.18802	100.0
331.33978	1.4
331.99734	0.9
332.18982	6.5
332.31659	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	331.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53409	0.4
55.85361	0.4
70.18566	1.1
78.22697	0.5
98.98471	11.5
101.06023	1.4
106.40762	0.5
145.06563	0.7
176.98929	1.8
229.21323	0.5
247.17998	0.7
261.11060	0.8
309.13821	0.6
313.17975	0.5
330.30020	0.8
331.18787	100.0
331.30182	1.6
332.15210	0.8
332.18866	5.6
332.22485	0.7
336.50504	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Carnosol
Peak:m/z	Relative Intensity
53.13408	0.5
57.01492	0.7
69.45785	2.8
96.19467	0.7
98.98469	25.7
157.77556	0.6
174.99226	1.1
175.99184	0.6
176.98903	2.1
313.17801	6.8
331.18796	100.0
332.19156	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	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.4
57.07080	1.1
57.37844	0.9
62.92130	1.0
63.52110	0.9
67.05497	3.2
68.54040	0.9
71.46926	1.1
78.55348	0.9
79.05472	1.3
81.07056	2.5
83.26125	1.0
87.04514	1.0
88.07631	1.4
91.05482	1.8
93.07028	1.4
94.07406	1.1
95.08614	2.4
98.98468	84.5
100.98894	1.6
101.06026	1.1
104.99274	4.3
105.07030	2.0
108.37906	1.0
109.10160	1.5
116.98646	1.2
116.99516	2.0
140.01083	1.4
174.99246	4.1
176.98920	6.9
204.10318	0.9
207.86671	1.2
220.93248	1.1
235.39758	1.0
252.99770	1.0
278.22052	1.4
289.96643	1.6
307.97794	9.8
313.21939	1.0
330.33740	3.1
331.18796	100.0
331.33936	2.3
332.15247	1.2
332.19080	5.9
332.31580	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2244
Annotation	Deoxycorticosterone
Peak:m/z	Relative Intensity
53.91358	0.2
54.47387	0.3
57.30886	0.2
79.38317	0.3
98.98467	4.8
158.21968	0.3
272.16483	0.3
278.04370	0.3
331.22424	100.0
332.22757	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	331.2267
Annotation	16alpha-Hydroxyprogesterone
Peak:m/z	Relative Intensity
54.43294	1.0
55.05506	2.2
57.09719	1.0
66.40062	1.2
66.69729	1.0
67.05506	7.1
69.07054	2.1
69.86689	3.9
69.96275	1.1
71.04980	2.6
79.05486	7.5
81.07061	11.1
83.04970	3.3
83.08601	1.1
85.06548	8.5
91.05466	7.1
93.07042	9.9
95.04969	1.4
95.08604	12.9
97.06528	26.0
97.75200	1.3
98.98467	100.0
99.08067	2.6
100.98863	2.9
105.07034	12.5
107.08588	12.0
109.05848	1.7
109.06525	19.2
109.10146	2.7
111.08064	5.2
116.99511	2.0
117.07007	4.2
119.08598	7.4
121.06482	1.3
121.10149	2.9
123.08058	4.0
128.06184	2.1
128.16595	1.1
129.07004	2.7
130.07753	1.1
131.08566	11.3
133.10088	6.6
133.88411	1.1
135.08040	2.5
135.11702	2.7
136.44119	1.0
137.09590	1.6
141.06996	2.1
142.07803	2.4
143.08527	8.3
145.10109	13.3
147.07974	1.8
147.11650	8.1
149.09579	2.5
149.13258	2.0
153.06857	1.6
155.08521	6.7
156.09267	1.7
157.10117	9.5
159.11679	6.7
161.09578	2.4
161.13255	2.1
163.11157	2.7
165.06963	1.4
167.08572	2.1
169.10144	8.1
171.11719	6.6
173.09634	2.8
173.13266	3.3
174.99236	4.8
175.11188	2.5
176.98903	9.7
177.12686	1.9
181.10115	4.6
182.10910	1.3
183.11682	6.4
185.13269	4.0
187.11185	2.1
187.14810	1.3
189.12810	1.8
191.08533	1.4
193.09947	1.2
195.11697	6.8
196.12383	1.9
197.13255	7.6
199.11198	2.9
199.14906	2.6
201.12807	2.6
201.16125	1.4
207.11656	2.4
209.13278	3.5
211.11093	1.9
211.14766	8.9
212.15340	1.5
213.12688	2.5
213.16376	2.0
221.13301	3.3
225.12814	3.5
225.16391	2.6
227.14305	1.7
229.15875	3.0
235.14761	1.9
236.15775	2.1
237.16338	8.9
239.14375	3.8
245.92619	1.2
251.17949	12.2
252.18715	2.6
252.99791	1.5
253.19530	9.5
254.99124	1.2
255.17453	4.4
267.17542	1.7
267.21002	3.1
269.19003	5.1
271.20541	6.1
277.19528	5.8
283.20557	1.8
295.20560	36.2
296.20914	2.6
307.97589	2.4
313.21585	13.8
331.22668	25.1
331.26312	1.2
332.23050	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	15.0
65.03943	0.8
67.05491	0.6
69.07065	2.1
69.22198	2.0
77.48507	0.3
84.08173	0.7
85.06547	1.5
86.09707	61.5
87.10039	0.9
89.03902	0.4
91.05479	20.5
92.05822	0.5
98.98474	12.1
100.98862	0.4
102.04691	1.7
103.12346	3.4
112.07552	0.5
115.04644	0.7
115.05455	14.6
116.06290	2.8
117.07021	31.0
118.07343	0.8
129.10246	2.3
145.06483	100.0
146.06801	3.8
162.09195	1.1
170.15416	8.6
174.99178	0.7
175.87614	0.4
176.98953	1.3
187.18042	8.0
213.15970	3.8
230.15387	21.0
231.15797	1.0
247.18060	40.1
248.18271	2.1
307.97717	1.6
313.22690	1.4
331.23785	41.6
332.24124	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.5
57.03436	7.5
57.07075	100.0
58.07391	2.2
61.86013	1.4
62.29937	1.5
67.05164	1.8
67.05505	25.9
68.59104	1.3
69.07069	17.1
69.09972	1.3
69.88037	4.7
70.06593	9.6
71.08632	73.0
72.08954	1.5
75.04466	3.0
79.05502	1.5
81.07053	34.0
83.08620	25.9
85.10180	37.8
88.07624	10.9
89.07961	2.7
91.05488	6.3
91.40220	1.3
93.07033	2.5
95.08609	54.4
95.09217	2.7
97.10184	15.6
98.23420	3.1
98.98466	48.6
99.11703	2.7
102.09205	1.8
103.07564	2.2
106.08673	4.8
109.10160	23.3
111.11731	3.0
114.98074	1.5
123.11706	9.1
135.75714	1.5
137.13254	5.7
151.14813	3.2
176.98962	3.7
239.23721	21.1
239.25888	2.5
240.24318	2.0
240.26880	2.7
257.24750	5.9
313.27362	64.2
313.33026	5.9
314.24265	1.4
314.27679	5.1
331.15506	2.1
331.33987	96.9
332.15182	1.7
332.33533	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	331.2845
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
55.05508	18.2
57.03437	5.4
57.07077	100.0
58.07384	1.4
63.51474	1.3
67.05508	22.8
67.51141	1.4
69.07073	18.6
69.19059	7.9
70.06577	4.2
71.08634	64.8
75.04481	3.2
81.07054	35.9
83.08617	27.3
83.46925	1.4
85.06537	2.3
85.10181	38.8
88.07638	5.9
89.06034	4.7
89.07938	2.0
93.07053	2.6
93.40820	1.3
95.08608	54.2
97.10179	14.3
98.98468	50.4
99.11746	2.8
100.14687	1.4
102.09155	1.7
103.07580	1.5
104.99280	3.7
105.07075	1.6
106.08690	3.5
109.10149	25.7
111.11726	5.1
123.11697	11.7
125.13263	3.1
137.13260	5.4
151.14861	3.0
165.16368	2.1
174.99181	2.0
176.98924	5.2
221.22565	2.6
239.23686	26.0
257.24808	6.5
274.52383	1.5
298.27475	1.9
298.88153	1.4
313.27356	67.7
313.33099	3.2
314.27768	6.3
331.09827	1.7
331.21921	1.6
331.33987	49.0
332.33865	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03938	0.8
56.96566	2.4
57.03433	1.1
61.02916	1.9
61.84354	0.6
62.98531	0.6
63.85212	0.5
65.03937	1.0
66.06876	0.8
67.05496	2.1
69.02255	0.7
69.03423	6.4
70.67159	1.5
71.04955	0.7
71.64053	0.6
72.21935	0.6
73.02933	1.6
76.15840	0.7
79.05513	0.9
81.03407	1.7
84.08131	1.8
85.02914	8.0
86.09680	1.5
87.04485	1.4
87.38091	0.6
97.02888	3.1
98.97596	4.0
98.98472	15.5
99.04494	1.0
103.89668	0.7
104.10746	17.4
106.06543	4.1
108.08121	100.0
109.02874	1.3
109.08447	2.5
116.98660	2.0
119.01829	0.7
123.06828	3.7
124.07593	12.4
127.03923	1.4
134.06017	9.7
136.06247	2.5
136.07588	13.4
145.05075	0.7
152.07068	67.8
153.07419	2.0
154.08630	1.1
170.08141	7.9
174.48743	0.8
174.97729	1.3
176.04253	2.5
176.97473	0.9
176.98988	0.7
177.00992	2.1
192.98761	1.2
194.05273	5.7
201.01059	1.3
201.84346	0.7
203.02544	3.7
212.06291	1.1
218.98605	4.5
219.01997	16.4
219.04085	1.0
220.02162	1.9
236.99559	4.5
284.08420	1.9
288.06015	0.8
314.09305	6.9
314.12457	35.3
315.09415	0.9
315.12775	1.8
332.06937	4.1
332.10361	6.7
332.13525	60.9
333.10574	1.5
333.13980	3.9
350.08115	4.0
352.37500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.1
57.03440	1.1
61.02931	2.5
64.28336	0.7
65.03952	1.0
66.91983	0.7
67.05506	2.5
69.03436	6.3
71.44578	0.9
72.08149	2.5
73.02905	2.5
79.05506	1.4
81.03425	1.9
81.07027	0.8
82.06582	0.7
83.46684	0.8
84.08130	2.4
85.02907	7.6
86.09715	1.8
87.04501	1.3
96.08121	0.7
97.02887	3.0
98.97546	1.6
98.98468	33.5
100.98892	0.9
101.00204	0.7
104.10715	0.9
106.06569	5.7
108.08116	100.0
109.02888	0.9
109.08463	1.9
116.98628	1.3
116.99463	1.2
119.75847	0.8
123.06824	2.9
124.07590	15.8
127.03900	1.2
129.10246	2.2
134.05997	8.7
136.06192	2.8
136.07571	12.8
152.07063	75.7
153.07430	1.6
154.08661	1.8
160.39374	0.7
161.00960	0.7
170.08104	7.1
174.97652	1.7
174.99127	1.6
176.04233	1.0
176.10793	1.0
176.98962	3.2
177.99336	1.0
192.98688	0.9
194.05193	3.5
201.45468	0.8
204.10283	1.0
219.02010	1.9
238.82939	0.8
240.37325	0.9
246.65276	0.8
273.08051	0.9
290.00372	1.5
290.98846	1.1
301.57642	0.8
314.12326	43.7
315.12720	2.1
332.13376	71.0
333.13724	2.4
340.29559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01862	3.6
55.05492	0.9
56.96560	0.9
57.03433	5.9
58.45344	1.0
61.02923	10.0
61.34255	0.9
69.03428	16.8
71.04980	2.8
71.46466	1.0
72.08149	5.5
73.02905	4.4
74.06059	3.0
81.03424	7.4
83.01314	1.8
84.04496	1.6
84.06619	0.9
85.02902	100.0
86.09706	12.7
87.04468	3.2
91.03955	5.4
94.97313	0.9
97.02893	25.4
98.98466	54.7
99.04426	2.9
100.98846	2.4
101.02333	1.1
103.03923	2.6
107.04952	50.4
108.05283	1.4
108.08098	2.7
109.02857	6.9
110.07190	1.1
116.99526	1.1
119.34606	0.9
127.03918	21.1
131.04942	1.3
133.06398	0.9
133.25180	1.0
135.08054	21.1
145.02884	3.0
145.04953	38.6
152.07056	2.3
153.09077	4.9
156.07698	2.0
163.05974	6.5
170.11754	1.1
171.08017	2.8
173.05952	4.5
173.09572	1.1
174.99236	1.2
176.98953	4.5
177.05440	3.1
177.99240	1.2
180.08682	11.0
183.08026	3.0
188.07074	1.1
193.08582	3.4
199.07568	2.0
201.09111	5.3
215.07045	1.1
215.10452	1.6
219.10141	19.0
219.13318	1.6
231.10226	2.0
243.10147	4.7
249.11140	1.7
261.11215	10.1
262.11713	1.4
268.09692	2.6
274.44769	0.9
279.11932	0.9
315.14288	2.4
333.10907	1.6
351.11670	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.218
Annotation	Ser Leu Ile
Peak:m/z	Relative Intensity
51.30772	0.6
53.00508	0.7
56.05045	0.6
56.96546	1.1
58.07340	0.6
60.04526	19.9
62.30348	0.6
67.05515	0.9
69.89176	1.9
70.02939	1.6
77.35397	0.7
84.44699	0.7
86.09708	80.2
87.05592	14.3
87.10043	0.9
92.87064	0.9
98.98466	36.8
100.98881	0.8
103.62195	0.8
108.08115	1.2
111.04415	0.7
114.62749	0.7
122.06016	1.2
128.10713	9.0
132.10220	5.9
135.99236	0.8
136.07510	1.1
152.07092	0.8
165.10196	1.6
170.04202	3.6
171.04576	2.3
173.12859	100.0
174.13188	2.5
174.99149	0.8
176.98953	4.0
177.02106	0.9
177.99234	1.3
201.12343	32.4
202.12723	1.1
209.02948	0.6
217.78088	0.7
219.13704	0.7
225.79124	0.7
245.18668	2.7
248.19229	0.7
287.05402	1.3
308.97510	0.8
332.09433	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27369	0.5
55.05503	0.6
56.05036	10.6
57.06813	0.6
57.07077	7.2
57.16181	0.4
58.06598	4.9
59.23240	0.4
60.04512	1.7
67.05527	0.6
68.05016	0.7
69.07062	0.8
69.68789	1.1
69.69176	0.9
70.06606	0.8
71.08627	3.7
72.04507	1.3
74.06077	9.5
79.05470	0.7
81.07058	1.4
85.10191	1.6
86.06046	1.0
86.13042	0.4
88.07629	34.9
89.07966	0.7
91.05453	1.5
93.07034	1.0
95.04987	0.7
95.08607	0.8
98.98470	5.4
104.07106	0.7
105.07029	0.8
106.07439	0.5
107.08578	0.9
107.54299	0.5
114.34563	0.6
118.08647	6.4
119.08525	0.8
121.06451	0.5
121.10136	0.8
122.08130	6.1
123.11701	0.9
131.08469	0.4
135.08063	0.8
149.05984	1.0
176.98918	0.5
246.83936	0.5
270.27811	0.5
284.29477	31.0
285.29861	1.6
314.30496	1.7
332.15094	0.9
332.19037	4.3
332.31573	100.0
333.16666	1.3
333.20206	3.1
333.31882	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	332.316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.9
55.05512	5.4
56.05032	10.8
56.96561	3.1
57.03440	7.2
57.07078	9.3
57.20561	0.8
58.06601	6.5
60.04512	2.5
65.03944	0.9
67.05503	28.2
68.05015	0.9
69.07071	6.5
69.69862	1.5
69.70232	1.8
71.08633	3.7
73.02914	1.2
74.06078	11.2
76.59470	0.9
77.65736	0.8
79.05491	17.0
81.07051	19.5
83.04980	1.3
85.10183	2.1
86.06059	1.9
88.07626	37.4
91.05481	10.3
93.07043	15.5
95.04967	3.2
95.08603	16.0
97.06506	1.0
98.98468	9.3
105.07019	7.1
107.08593	9.4
108.58251	0.9
109.10142	5.7
117.07027	1.9
118.08672	6.2
119.08619	4.2
121.10130	5.2
122.08145	6.7
128.98570	1.3
129.05472	5.7
131.08553	1.7
133.10126	4.9
133.26497	0.8
135.08078	0.9
135.11690	3.6
146.99590	1.3
147.11685	1.9
149.06046	1.2
149.13206	1.6
157.10074	0.9
161.13333	1.0
169.10052	0.8
171.11630	1.3
176.98894	1.0
186.83109	0.9
259.20563	1.1
270.27859	1.0
284.26318	1.9
284.29471	32.3
285.29706	2.9
314.30569	2.1
315.16278	7.1
332.14548	1.4
332.31573	100.0
333.17319	8.6
333.20575	1.6
333.24179	22.9
333.31802	7.4
351.18600	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	332.8943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97948	0.6
53.03940	0.6
57.03419	2.0
57.66885	0.6
57.73694	0.6
61.02918	1.2
62.57967	0.8
65.51389	0.6
69.03423	2.5
71.20852	0.7
72.08138	0.7
73.02928	4.6
76.00292	0.6
76.22761	0.7
84.08145	1.6
85.02908	3.1
86.09687	1.8
91.05470	4.3
94.93007	0.7
97.02888	2.6
98.98460	8.5
101.00918	0.9
104.10733	8.1
106.06590	1.4
107.04950	1.0
108.08121	22.9
109.08437	1.9
110.09111	0.7
112.89595	0.8
114.89362	1.3
119.01920	0.7
119.04940	5.2
121.06496	0.9
122.31214	0.6
123.06744	0.7
124.07619	3.1
127.03905	1.2
128.94276	0.7
131.01892	1.7
134.06020	2.6
136.07556	3.3
136.94026	100.0
137.94356	1.3
143.01903	1.9
145.03444	0.9
151.07487	4.0
152.07054	13.5
153.07394	1.5
155.01907	2.0
161.03009	1.1
170.08141	0.8
173.02951	2.1
182.92749	0.7
183.04962	1.3
185.03038	0.7
209.43137	0.7
221.04979	1.2
232.90123	0.9
234.05408	0.7
234.07291	4.2
234.57567	0.9
234.89891	2.5
234.91882	7.6
243.07898	2.5
243.57970	1.1
248.89622	0.7
249.07596	0.9
258.08334	0.9
264.08173	0.7
288.93677	1.0
314.12332	6.9
315.12643	2.3
321.08157	0.7
332.13394	13.1
333.13879	3.6
349.88492	0.7
353.10941	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.926
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64093	0.6
59.79117	0.6
60.08179	1.0
61.02924	0.8
62.66563	0.6
65.03944	1.0
67.05496	0.7
69.03420	1.9
69.43361	2.4
72.08150	0.8
73.02876	0.8
74.18715	0.8
81.03404	0.7
81.07114	0.6
85.02897	2.5
86.97724	0.6
87.04451	0.9
94.93019	1.4
97.02895	1.8
98.98470	3.9
104.10747	12.0
106.06564	1.7
107.15453	0.6
108.08123	30.4
109.08446	2.7
109.29999	0.7
112.89622	7.1
114.89344	13.6
116.89131	1.6
117.72986	0.7
121.06487	1.0
123.06817	0.7
124.07606	4.6
127.03933	0.7
134.06026	3.3
136.07565	3.7
136.94029	100.0
137.05991	1.2
137.94315	0.9
152.07069	18.6
153.07428	3.0
153.08525	0.6
154.08601	0.8
170.08153	2.4
194.15974	0.7
232.90164	2.1
234.89684	6.3
234.92062	5.8
246.97530	1.3
288.93674	4.0
306.86398	1.5
314.12299	9.4
315.12744	2.9
316.11703	1.4
332.13434	17.8
332.92651	2.6
333.09372	1.9
333.13898	5.6
336.39401	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03357	0.6
57.40728	0.5
65.03926	0.6
67.05496	1.2
70.75008	0.9
71.67622	0.6
84.22595	0.5
85.06527	0.7
89.17480	0.5
92.05006	1.3
95.09228	0.5
98.98447	3.7
119.08537	0.7
120.04469	2.6
122.05996	0.9
136.07562	1.8
144.08093	0.7
148.03966	1.0
154.07793	0.7
156.08118	0.6
162.05508	1.1
167.07365	1.6
168.07994	1.0
169.08849	1.5
170.08405	0.8
171.10522	0.7
172.07538	1.0
173.08429	0.7
174.34468	0.6
182.09656	1.9
183.09149	1.0
184.07634	0.8
184.09842	1.4
184.11267	1.3
185.07062	0.7
185.10733	1.4
187.08672	2.2
189.10191	0.9
196.07571	0.8
197.06915	0.9
197.08426	1.8
198.07869	2.5
198.09294	1.7
199.08568	1.1
199.12317	6.4
210.09126	6.9
211.08698	3.9
212.09151	7.5
213.10103	3.6
225.06573	1.6
225.10255	0.9
226.07359	2.2
227.08192	1.1
227.11792	23.6
228.12080	1.7
237.10278	2.4
238.08626	2.6
239.08189	1.6
240.08888	10.5
241.09717	15.5
253.09860	0.7
255.11288	100.0
256.11630	6.2
257.12863	4.9
266.08224	0.6
273.12302	1.0
283.10773	18.8
284.11169	1.1
301.11823	71.3
302.12115	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	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80283	0.9
70.84787	0.3
86.09711	0.3
88.45546	0.3
98.98463	11.0
100.98862	0.5
116.99531	0.3
131.05046	0.3
147.04375	0.7
153.05487	0.4
171.09906	2.7
176.98944	1.3
180.06635	0.3
187.33096	0.3
195.06459	0.6
203.53424	0.3
315.09662	0.8
333.15173	100.0
334.15512	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	333.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.8
69.95616	1.3
72.08149	0.6
80.25969	0.5
81.84469	0.5
85.02901	0.7
91.05473	1.0
93.07047	1.3
98.98468	23.1
100.98896	1.9
107.08606	0.9
109.06516	0.6
120.04549	0.5
136.07549	0.7
137.05966	1.9
147.04419	1.7
153.05496	0.6
162.69090	0.5
164.07077	1.1
171.10031	2.4
171.13701	0.7
176.98953	2.6
209.78792	0.5
266.08688	1.7
315.09851	1.1
315.13187	0.6
316.11868	1.5
319.74359	0.6
333.15164	100.0
334.15585	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	333.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.7
55.19960	0.4
56.05051	0.6
56.96564	33.2
57.07084	0.6
67.05524	1.1
69.07089	1.2
69.48028	1.5
71.95271	3.0
72.04529	0.7
72.96076	1.1
74.97619	0.9
79.05508	0.7
81.07079	1.5
84.96055	1.2
88.07661	1.0
91.05498	1.4
92.02828	0.4
93.07062	1.5
95.04987	0.8
95.08620	1.0
97.06551	0.6
97.96805	6.7
97.99218	0.5
98.97586	2.0
98.98470	3.1
105.00175	1.0
105.07066	1.0
107.08638	1.0
109.06577	1.3
109.10198	1.0
110.97563	16.3
115.97852	4.0
116.98653	1.2
119.01743	0.5
119.08620	0.9
121.06512	0.5
123.01226	1.3
124.99142	0.4
128.98605	18.6
131.00145	0.6
131.08563	0.8
132.31602	0.4
133.10112	0.7
133.98912	1.1
134.99634	0.6
137.02789	1.4
138.99478	0.5
141.02261	0.9
143.00125	2.4
146.99646	10.6
147.11713	0.5
148.00485	0.5
151.00624	0.5
151.04309	0.7
152.00134	1.0
155.03790	0.8
157.01700	0.5
161.01212	2.7
161.04865	1.0
165.00787	1.2
165.12738	3.1
167.03763	0.7
169.01686	0.7
169.05399	0.9
170.01277	0.6
171.03258	2.2
175.02769	1.2
179.02242	0.6
181.05406	0.7
185.04884	1.7
187.02724	0.5
189.04393	1.5
190.05145	1.8
191.07449	0.8
191.14288	0.6
193.03893	0.6
195.06940	0.7
197.04936	0.6
203.04175	0.5
203.05963	1.8
204.06763	1.1
205.07376	0.6
208.06236	1.3
209.08617	0.5
212.16519	0.6
213.08075	0.8
219.08978	0.7
220.16969	0.6
223.10133	0.6
225.07896	1.1
226.08801	0.6
227.09590	1.3
235.06612	0.5
236.20193	1.1
241.11093	1.7
243.09142	0.7
244.09911	1.0
245.10727	1.0
249.08032	0.6
252.10356	1.0
259.12170	1.4
263.09518	4.5
264.10248	1.5
265.11096	1.3
270.11661	0.6
277.10959	1.1
281.10608	0.7
282.11490	0.6
284.29568	0.7
286.11209	0.7
287.16678	0.6
289.21603	0.7
291.12302	0.6
298.95099	0.5
303.12805	3.3
313.14600	1.2
315.16284	72.4
316.16656	4.6
317.14011	0.9
331.15848	3.4
332.31607	1.5
333.17291	100.0
334.17688	6.7
334.27280	2.3
349.16861	0.5
351.18405	16.5
352.18884	1.2
354.17264	0.7
356.18958	20.3
357.19214	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	333.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
67.05498	5.2
69.03430	5.2
69.07067	5.5
77.03938	2.8
79.05489	13.1
79.21455	2.5
81.06632	2.9
81.07019	13.7
83.04942	4.2
85.02894	9.5
86.09682	3.0
91.05503	18.6
93.07043	67.3
94.07339	4.2
95.04974	4.2
95.08619	22.8
98.98463	92.8
100.98898	5.4
105.07024	9.4
107.08589	100.0
108.08898	4.4
109.06519	4.8
111.04490	3.8
133.10101	6.5
134.10445	4.4
135.11685	72.9
136.12039	8.3
146.80795	2.7
147.04433	2.7
153.12720	14.8
176.98904	12.3
197.14624	2.9
213.05444	64.0
214.05824	3.2
216.04260	6.4
231.06517	70.7
254.99463	2.7
333.07498	5.0
333.14520	5.0
333.17902	22.2
334.16931	3.3
334.20984	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	333.191
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03950	3.3
54.16177	2.5
55.01868	3.5
55.02861	2.8
55.05519	6.0
57.03429	9.6
57.07081	14.1
59.04996	12.8
61.02932	12.8
66.00696	2.2
67.05512	14.6
69.03429	32.4
69.07065	10.4
69.35142	12.1
71.04993	26.3
73.02891	2.8
79.05486	4.1
81.03432	12.3
81.07053	6.7
83.04987	9.6
83.08630	3.6
85.02908	78.6
85.06544	11.0
91.03952	4.4
91.05483	5.8
91.62799	2.4
93.07042	8.9
95.04953	5.8
95.08614	51.7
97.02890	29.3
97.06539	5.0
98.97826	4.7
98.98472	87.7
99.04459	4.7
99.08097	14.1
100.98903	5.7
107.08588	15.1
109.02879	5.7
109.06505	12.2
109.10169	19.0
111.04440	10.3
111.08057	12.4
113.09647	58.5
114.02998	2.8
119.08614	3.1
121.06497	6.6
127.03944	17.4
127.11203	50.0
135.11710	19.8
136.07617	3.0
137.05997	7.2
141.67651	3.8
145.04974	17.1
152.07098	3.2
153.05455	8.9
153.12744	100.0
154.13087	3.4
155.14307	5.7
164.07135	3.2
171.13814	60.3
176.98895	12.6
181.04958	10.8
181.06358	3.1
188.07066	3.3
194.50389	2.6
195.13861	2.5
212.09456	3.0
213.14850	4.9
224.13054	2.4
226.10994	4.3
227.11806	7.8
228.10199	3.6
255.11362	4.7
256.05951	5.9
268.10992	2.6
272.11557	3.6
273.12231	3.1
287.13834	4.5
297.08774	2.7
298.20276	2.7
301.11850	34.3
306.41660	2.6
315.13507	4.6
316.11435	5.0
333.10931	4.1
333.14392	17.2
333.18628	16.9
334.09082	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31852	0.5
70.58826	0.5
88.07633	0.7
98.98474	1.6
110.44731	0.4
111.92384	0.4
119.85264	0.4
269.06284	0.5
315.19070	0.4
333.20343	100.0
334.20630	5.6
334.29453	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	0.7
69.99231	1.2
69.99535	1.1
70.31491	0.7
88.07624	2.2
98.98446	1.0
124.94075	0.7
128.78101	0.8
181.05064	0.7
242.24799	1.8
264.13278	3.6
286.27185	0.9
305.52338	0.8
315.19315	1.6
333.20352	100.0
334.20633	6.6
334.29538	5.7
359.31488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20912	0.3
58.94305	0.4
61.17321	0.4
69.97047	0.7
69.97371	0.5
111.99161	0.4
143.45132	0.4
195.09897	1.1
291.98697	0.4
306.44693	0.4
333.20352	100.0
334.20724	7.1
334.29300	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07109	0.5
69.42944	1.5
83.44138	0.4
107.08548	0.4
147.43457	0.5
152.74419	0.5
191.95464	0.5
205.35919	0.5
263.12415	0.6
288.12076	0.6
333.20346	100.0
334.20700	7.4
344.04285	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27745	0.5
53.24967	0.5
56.05029	0.9
57.07057	1.4
58.06585	2.4
59.54087	0.5
60.04520	0.8
67.05498	0.7
68.45703	0.5
69.07051	0.8
69.74769	1.8
74.06064	1.0
79.05470	0.7
81.07061	1.3
86.06084	0.7
88.07635	9.2
91.05469	1.4
93.07053	0.8
95.08609	1.0
98.98474	2.4
104.07058	1.2
105.07034	1.3
109.10118	0.8
119.08595	1.5
121.06507	1.0
129.07050	0.6
131.08583	0.7
132.10207	2.1
133.10075	1.0
145.10159	0.8
147.11636	0.7
159.11726	0.6
162.11322	0.8
166.10815	1.1
173.13272	0.6
196.05078	0.5
241.19604	0.7
242.24770	7.7
286.27307	2.9
315.19333	1.1
333.20334	100.0
334.20740	5.7
334.29532	28.7
334.33649	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60653	0.4
57.47284	0.5
61.37273	0.4
70.62365	0.7
98.98437	0.5
150.88031	0.4
309.02051	0.5
333.20334	100.0
334.20700	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02207	0.5
60.78712	0.5
69.55267	2.0
72.28898	0.4
95.08597	0.5
98.98443	1.1
142.71649	0.5
146.60912	0.5
187.28755	0.5
217.58215	0.5
257.25232	0.5
333.20358	100.0
334.20694	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	333.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97847	1.4
59.15509	1.2
64.03703	1.3
65.87627	1.4
69.56950	6.0
92.29015	1.6
98.22748	2.8
101.78818	1.1
152.08195	1.5
195.09952	6.2
315.19336	20.8
333.20374	100.0
334.20627	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	333.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05521	1.2
69.07052	1.1
78.53233	0.8
79.05528	1.0
81.07085	2.0
88.07581	1.0
91.05503	1.0
93.07042	1.4
95.08627	0.9
98.11037	1.0
98.98499	3.0
105.07029	1.9
105.51381	1.1
107.08574	1.1
108.78099	0.9
119.08628	1.3
133.10193	1.2
147.11679	1.1
148.93933	0.9
195.09982	3.0
229.00948	1.3
315.19290	6.0
333.20380	100.0
333.23880	3.8
334.16965	1.3
334.20667	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2061
Annotation	5S,6S-epoxy-18R-HEPE
Peak:m/z	Relative Intensity
55.05513	11.8
57.07065	7.8
57.78614	2.5
60.04519	26.6
67.05510	16.1
69.07069	19.5
69.57365	5.5
69.57751	7.0
71.04984	6.3
78.73057	2.6
79.05493	17.6
81.07060	31.9
83.04998	3.9
83.08622	6.6
91.05484	10.5
93.07047	10.2
95.04980	4.8
95.08615	19.2
97.06519	22.0
98.22744	5.3
98.97637	3.4
98.97765	4.0
98.98466	39.2
99.08114	3.8
105.07042	15.9
107.08604	13.8
109.06514	9.0
109.10172	14.5
111.04463	3.4
116.99545	2.4
117.07046	3.8
119.08572	24.1
121.06507	100.0
121.10162	7.8
121.54692	2.7
122.06838	3.4
123.08080	4.0
123.11743	9.3
129.07047	4.7
131.08565	14.4
133.10149	14.5
135.08049	11.7
135.11700	5.1
142.07825	4.8
143.08551	14.5
145.10127	12.2
147.08008	16.4
147.11671	6.6
149.05963	3.2
149.09641	5.1
156.09302	4.2
157.10136	12.4
159.08058	9.4
159.11716	9.5
161.09619	23.5
161.13306	8.2
163.11249	5.4
163.14885	2.9
165.05498	12.0
169.10120	7.0
171.11719	18.6
173.09691	13.4
173.13249	9.3
175.11172	9.8
177.09166	3.9
183.11699	6.3
185.13287	12.5
187.11217	17.8
189.12692	14.1
191.14339	11.3
197.13289	7.8
199.11115	6.1
199.14810	6.0
201.12732	9.1
207.13809	4.0
211.14792	4.8
213.12798	5.9
215.14282	6.6
227.17941	45.5
227.20161	3.8
228.18274	5.4
233.15256	2.9
241.19449	4.6
243.17433	36.0
251.17886	4.8
253.19627	7.7
260.65143	3.0
269.19019	31.1
271.16940	7.3
271.20517	3.2
273.18521	11.2
287.20084	12.1
289.17834	3.1
297.18478	4.6
298.27411	6.4
315.19525	18.5
316.28412	16.2
333.16632	4.4
333.20541	73.7
334.20743	5.5
334.29465	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.206
Annotation	5,6-Epoxy-18R-HEPE
Peak:m/z	Relative Intensity
53.03959	1.5
55.01871	2.2
55.05507	11.5
57.07076	3.8
59.05000	1.8
67.05502	10.7
69.03439	3.1
69.07071	96.7
69.78842	1.3
70.07420	2.1
71.04980	2.6
71.08610	2.5
71.47566	1.5
79.05499	13.8
81.07059	34.9
83.04986	2.7
83.08624	7.0
85.06529	1.8
87.66127	1.5
91.05465	8.4
93.07052	16.0
95.04987	4.7
95.08613	19.9
97.06534	83.6
97.10175	4.0
98.06841	2.1
98.98462	31.0
99.08088	3.4
100.98889	2.6
105.07028	18.1
107.08601	28.2
109.06532	6.8
109.10144	10.8
111.08082	2.1
117.07029	2.9
119.08581	22.8
121.06510	100.0
121.10133	19.4
122.06834	2.8
123.08106	7.3
123.11722	9.9
124.25129	1.4
125.09637	1.7
129.06940	1.6
131.08589	12.9
133.10132	20.0
135.08101	7.9
135.11710	12.3
137.05963	3.6
137.09572	1.9
141.06937	2.3
142.07748	1.7
143.08565	5.0
145.10103	14.0
147.08057	16.1
147.11679	11.4
149.09634	9.2
149.13319	3.2
151.07530	1.3
155.08530	3.6
156.09390	4.7
157.10130	14.0
159.08066	6.0
159.11691	13.3
161.09637	24.0
161.13251	10.0
163.11197	28.7
163.12589	1.8
163.14854	6.0
164.07008	2.2
165.05484	5.9
165.09171	3.2
167.07027	2.1
169.10143	8.4
171.08069	2.4
171.11690	16.4
172.08783	3.0
173.09608	11.8
173.13232	13.9
175.07605	1.4
175.11191	16.7
175.14713	2.3
176.98975	4.7
177.12845	1.6
181.12268	3.1
182.10927	2.2
183.11783	8.9
185.09660	2.1
185.13274	9.7
187.11191	16.9
187.14815	1.8
189.09178	1.7
189.12744	20.0
190.13565	1.7
191.10713	2.2
191.14311	28.3
193.12224	3.9
195.11751	3.9
196.12585	3.5
197.13280	4.4
199.11229	4.2
199.14807	3.5
201.12711	8.9
201.16396	3.2
203.14215	1.9
205.12415	1.5
207.13824	2.3
208.14616	3.6
209.11681	2.5
209.13341	3.3
211.14821	6.0
213.12767	8.1
213.16328	2.1
215.14336	6.0
217.12395	2.3
219.13882	2.6
221.11688	11.4
225.16399	5.4
226.34419	1.6
227.11961	1.6
227.14346	3.9
227.17941	26.1
229.15813	2.5
233.11804	2.2
235.13326	6.9
236.14055	7.6
237.14806	3.3
241.19545	4.5
243.17465	44.1
244.17847	2.6
245.19038	3.6
251.17928	4.1
253.19566	8.8
255.11327	5.7
259.13196	2.0
269.19022	38.9
270.19293	3.2
271.16962	3.2
271.20477	3.8
273.18506	4.5
287.20111	21.0
289.18042	4.9
297.18625	8.1
301.11771	4.4
315.19528	18.1
315.22864	2.2
316.19699	2.0
333.20602	51.7
333.23898	2.1
334.20959	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	333.2062
Annotation	5,6-Epoxy-18R-HEPE
Peak:m/z	Relative Intensity
55.01874	3.1
55.05527	9.5
56.53181	1.8
57.07072	3.6
62.95889	1.7
67.05497	11.2
69.03422	2.9
69.07076	100.0
71.04990	2.0
71.06319	2.3
71.08617	2.2
75.40942	1.8
79.05497	15.0
81.07058	30.3
83.04994	2.8
83.08623	6.0
91.05478	11.3
93.07056	16.3
95.04970	6.6
95.08598	22.1
96.65111	2.1
97.06538	84.7
97.10167	2.7
98.04274	1.6
98.06849	2.6
98.98468	45.7
100.98921	3.5
105.07028	20.7
107.08598	29.1
109.06535	4.4
109.10161	13.0
117.07011	2.4
119.08593	21.2
121.06512	91.6
121.10148	14.7
122.06841	3.4
123.08089	9.0
123.11742	10.6
131.08568	12.6
133.06485	2.8
133.10149	18.2
135.08058	10.3
135.11702	13.8
137.06003	2.0
137.09576	2.4
142.07762	5.3
143.08554	7.7
145.10126	17.4
147.08037	17.3
147.11708	8.5
149.09621	7.9
149.13274	3.4
155.08600	3.2
156.09354	3.9
157.10130	12.3
159.08029	5.7
159.11705	13.3
161.09641	25.4
161.13271	9.5
163.11194	26.5
163.14926	4.6
164.07202	2.3
165.05493	9.9
169.10149	8.0
171.11703	15.9
172.08789	2.7
173.09641	12.2
173.13257	11.2
175.11217	15.9
176.98924	4.9
183.11688	7.6
185.09706	3.6
185.13223	9.2
187.11229	15.0
189.12724	16.4
190.13742	2.2
191.14307	30.2
196.12517	2.1
197.13310	4.8
199.11221	7.6
199.14801	5.0
201.12762	7.3
203.14351	3.3
208.14563	3.7
209.11609	2.2
209.13379	4.1
211.14819	5.8
213.12747	5.7
215.14259	3.6
217.12317	2.8
221.11687	10.8
225.16397	5.1
227.14351	3.1
227.17984	23.2
235.13293	5.6
236.14026	5.7
237.14841	2.7
241.19539	3.7
243.17450	44.7
244.17828	4.9
244.25035	2.1
245.19046	2.8
251.17943	5.1
253.19466	9.5
255.11320	3.8
269.19016	32.1
270.19455	2.6
271.16885	3.3
271.20624	2.6
273.18491	5.7
279.17133	2.8
287.20007	18.9
289.17978	7.5
297.18506	7.6
315.19617	18.3
333.20557	44.0
334.16312	2.3
334.20639	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2062
Annotation	Ptilodene
Peak:m/z	Relative Intensity
53.03935	2.2
55.05501	6.1
57.07079	11.7
60.83189	1.8
67.05499	11.7
69.07070	4.6
69.69813	6.6
69.70157	2.4
71.04998	20.0
71.08634	10.1
79.05493	31.7
81.07053	33.2
83.04987	2.9
85.06548	2.9
85.10173	5.5
89.06036	16.7
91.05485	12.5
93.03398	3.2
93.07037	7.5
95.04986	19.0
95.08611	27.7
95.67638	1.8
97.06533	15.6
98.98463	3.9
99.04444	13.6
99.08054	2.4
105.07029	24.1
107.04949	7.5
107.08599	17.4
109.06530	4.6
109.10158	21.8
111.04424	4.8
117.07005	4.8
119.08587	19.6
121.06484	6.2
121.10123	6.3
123.08046	4.4
125.05993	90.8
126.06259	2.4
129.06999	2.4
131.04906	2.4
131.08557	21.5
133.06505	4.4
133.10114	16.7
135.08025	3.9
138.22179	1.9
143.08522	3.3
144.09401	2.2
145.06482	3.9
145.10155	10.7
147.08034	3.1
147.11662	5.6
149.05980	7.2
149.09575	2.9
151.07510	3.5
151.09650	8.0
155.08615	2.9
157.10132	8.0
158.10988	2.7
159.08008	6.5
159.11674	7.5
161.13235	4.2
163.07535	8.4
163.11159	2.5
169.10072	3.6
171.11685	8.4
173.09674	3.6
173.13254	50.9
174.13643	2.4
175.11200	4.4
177.09055	10.3
181.12186	2.3
183.11716	5.9
185.13293	2.7
189.12607	2.2
191.14322	3.2
193.12248	2.9
195.11719	3.4
197.13414	4.2
199.11089	4.6
199.14714	3.1
201.12758	32.3
203.10597	2.3
209.13217	2.6
215.14247	4.0
217.12180	3.1
219.13803	100.0
220.14095	6.3
225.16275	2.8
241.19626	2.8
243.13771	2.7
251.17992	6.1
269.18976	14.1
279.17517	4.5
287.20020	17.5
288.20435	2.6
297.18439	29.3
298.18808	2.1
315.19574	27.9
316.19803	2.5
333.16605	4.0
333.20547	72.0
333.24408	3.8
334.21011	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	333.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	100.0
58.07426	1.6
62.86128	0.9
69.07068	2.6
70.25176	0.9
71.08634	85.4
72.04518	1.3
72.08945	1.3
81.50376	1.0
83.08602	1.0
85.10184	52.4
87.17386	0.9
89.06036	67.7
90.61270	1.0
95.08613	1.2
98.98476	3.5
99.11721	5.9
107.07091	5.3
113.13278	3.8
127.14837	1.9
130.08647	3.8
133.08609	13.7
151.09663	41.6
163.16283	1.1
165.12672	1.1
229.23949	1.1
264.01151	1.0
308.83536	1.0
333.16333	1.4
333.22403	1.1
334.16742	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.4
57.03439	3.1
61.02928	7.9
69.03115	1.6
69.03439	17.1
70.37317	1.6
71.04996	1.6
73.02914	3.3
81.03431	5.9
83.60287	1.4
84.08130	1.4
85.02905	80.2
86.03225	1.7
87.04496	2.0
91.03946	5.3
91.04478	1.4
91.05483	5.5
94.04143	1.2
97.02894	19.7
98.22851	1.4
98.97585	6.1
98.98424	2.6
99.04462	4.7
104.82978	1.1
107.04953	2.0
109.02871	7.1
116.98664	2.5
119.04934	3.9
121.06518	3.2
122.03697	5.7
127.03923	19.1
137.05977	100.0
138.06367	2.5
145.04955	39.5
154.08630	3.3
155.07047	1.6
163.06026	9.9
166.05058	1.6
177.00720	5.0
180.08649	15.0
195.01779	2.7
203.07005	2.1
235.01321	1.6
245.08107	2.0
263.09100	1.5
265.02289	1.9
281.10284	8.1
316.13858	2.3
334.09760	1.5
334.14713	2.5
335.11121	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	334.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15123	0.5
53.03960	0.9
55.01868	1.7
57.03422	2.1
58.09436	0.7
61.02929	3.3
63.25035	0.6
69.03431	5.2
70.86546	0.6
71.04999	0.8
73.02911	2.2
77.86559	0.6
79.20085	0.7
81.03432	3.9
85.02905	29.8
87.04455	0.8
91.03945	2.3
91.05483	9.3
94.19561	0.6
97.02890	7.1
99.04477	1.4
109.02866	2.3
113.01198	0.6
113.67532	0.6
119.04938	7.7
119.05737	0.8
127.03942	5.9
137.05981	100.0
138.06305	3.8
145.04984	9.7
149.42368	0.6
151.07584	1.2
155.07036	9.0
163.06000	2.5
172.09705	1.0
179.07057	2.0
180.08649	5.4
203.06952	1.3
217.08469	0.6
221.08040	1.0
263.09137	1.8
275.79669	0.8
281.10104	1.2
334.15338	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.5
55.05511	6.8
56.05032	4.7
57.03439	6.4
57.07096	1.1
58.06598	4.9
61.01152	2.6
62.43425	1.2
67.05514	20.1
69.07071	8.1
70.06598	40.0
71.04992	7.9
71.45799	1.5
72.08154	1.5
73.44421	1.0
79.05502	16.4
81.07063	28.5
82.06593	6.4
83.03290	1.1
83.04997	2.8
83.08625	3.3
84.04513	2.8
84.08129	6.1
85.06544	2.6
86.09736	1.5
86.37286	1.2
87.00868	1.8
91.05476	7.8
93.06461	1.6
93.07047	30.2
93.07602	2.2
94.06561	2.3
94.07418	1.1
95.04967	1.7
95.08616	28.7
96.08144	5.7
96.71326	1.2
97.06539	4.0
97.10175	2.2
98.06049	3.4
98.09712	1.9
98.98472	1.9
100.07638	1.5
100.12605	1.3
104.05317	3.2
104.18350	1.2
105.07039	6.7
107.04977	2.8
107.08598	12.4
108.08950	1.4
109.06541	1.7
109.10158	6.9
110.09702	5.8
111.08071	3.1
112.07640	1.5
112.69926	1.4
116.07124	3.5
117.07051	5.8
119.08564	7.5
120.08117	7.2
121.06553	4.4
121.10130	9.0
123.08070	2.3
127.08697	11.9
131.08582	3.8
133.10129	4.3
135.08076	3.4
135.11690	18.0
135.12624	1.5
135.64926	1.1
137.09639	1.9
139.07649	1.4
139.11250	1.3
142.62518	1.1
145.02908	1.2
146.06090	2.2
147.04388	1.4
149.09674	1.3
149.13252	8.3
150.12766	1.6
159.11684	8.3
166.15929	3.2
168.17499	23.9
170.15497	2.2
175.09114	6.0
176.14362	1.6
177.05516	1.9
177.12772	8.7
181.05003	1.3
186.18547	1.9
186.35251	1.1
188.07170	2.4
194.15407	26.1
195.13776	7.5
203.08521	3.2
212.16463	45.7
213.14961	2.5
213.16833	2.0
225.66197	1.3
230.17548	20.3
230.19710	2.0
248.18547	14.7
272.18573	33.2
273.18777	1.6
290.19693	13.6
291.20212	1.1
316.17563	17.3
317.11563	1.5
334.18622	100.0
335.18994	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	334.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48344	0.4
57.07079	0.5
60.26307	0.4
67.05486	1.3
69.07069	0.9
69.80807	1.3
69.81210	0.7
71.08646	1.0
72.04521	5.0
79.05501	0.7
81.07057	1.7
82.31495	0.6
88.07641	0.5
93.07056	1.2
95.04971	1.4
95.08601	2.1
98.22794	0.8
105.07040	1.1
107.08601	1.2
109.06511	2.0
109.10165	0.4
114.09175	1.5
119.08589	0.9
121.06463	0.5
121.10128	0.7
133.10129	1.0
165.12759	8.1
171.11519	0.5
173.13310	1.1
177.12871	0.5
182.15393	1.2
212.16573	0.8
220.16997	1.2
236.20070	3.3
289.21667	1.5
316.26172	0.6
334.20691	100.0
334.27380	7.1
335.20975	5.4
335.27417	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05047	1.4
57.07063	4.3
58.06585	3.4
60.04516	2.0
67.05499	2.4
69.96521	3.7
72.04510	1.6
74.06040	2.3
79.05521	1.4
80.94832	1.7
81.07041	4.9
82.49422	1.3
86.09732	1.5
88.07627	16.3
91.05454	1.8
93.07068	2.3
95.08598	2.5
98.22665	1.2
104.07121	2.3
107.08598	2.2
109.06506	1.2
109.10110	1.3
119.08569	1.3
131.51079	1.2
132.10213	4.7
162.11252	1.8
165.12787	2.9
166.10788	2.0
242.24782	14.7
243.24866	1.5
286.27408	5.0
334.17267	4.0
334.20679	100.0
334.29559	49.4
334.33658	2.1
335.21600	9.0
335.25360	1.8
335.29654	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	334.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01876	5.5
55.05513	13.7
57.03188	1.0
57.03441	12.3
57.07078	5.9
65.03941	1.8
67.05506	46.0
69.03413	1.7
69.06766	1.3
69.07072	15.1
70.06313	2.2
70.06622	1.2
71.04985	1.3
71.08627	10.3
72.04517	76.0
79.05044	1.6
79.05493	22.3
80.51735	1.1
81.07055	43.7
83.04963	1.8
83.08611	4.5
85.06537	4.5
88.07609	1.8
91.05476	14.2
93.07042	30.5
95.04967	18.3
95.08608	42.6
95.09216	2.4
97.06512	6.0
97.10179	2.5
99.08099	5.2
100.07616	3.8
105.04562	1.5
105.07023	12.6
107.08587	17.3
107.56569	1.2
109.06514	22.2
109.10149	16.1
112.12254	1.0
113.77052	1.1
114.09174	14.6
117.06997	1.8
119.08604	10.2
121.06532	3.1
121.10142	10.2
123.08047	2.9
123.11716	4.1
128.10703	5.9
131.08562	7.3
133.10146	9.2
135.08060	3.1
135.11681	3.3
137.09630	2.7
137.13203	1.7
140.10640	1.9
142.12273	3.8
145.10114	4.7
147.11664	4.5
149.09615	2.2
149.13255	4.6
154.12244	1.9
156.13803	2.1
159.11636	3.4
163.11162	2.0
163.14798	2.8
165.12753	100.0
166.13162	3.0
173.13248	7.6
175.11189	3.4
179.14325	1.1
180.13846	3.2
182.15404	16.1
184.13350	2.0
187.14810	1.7
191.14290	8.9
194.15399	1.7
201.12704	5.7
212.16487	9.2
220.16931	15.5
220.18903	1.6
229.19418	3.2
236.20084	37.2
253.19513	1.6
261.22168	2.6
265.97073	1.1
266.21021	1.3
271.20502	8.9
283.36435	1.1
289.21667	7.0
290.22049	1.2
316.26471	7.4
334.20895	2.1
334.27365	62.2
335.21817	22.3
335.25827	44.1
356.32916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61844	2.4
55.01869	5.1
55.05492	4.3
57.07080	22.7
58.07412	7.0
65.03946	2.7
67.05512	15.7
69.07064	7.9
69.91547	6.9
71.08629	22.3
72.04133	3.7
72.04517	60.5
72.08959	5.3
74.29684	2.1
79.05490	6.0
81.07044	18.5
83.08593	3.5
85.10184	7.5
86.10538	3.0
89.06033	15.0
90.06346	6.8
91.05469	6.6
93.07043	13.1
95.04956	16.5
95.08621	15.8
97.06507	5.9
99.08125	3.8
105.07024	9.4
107.08566	9.0
109.06506	20.2
109.10140	8.9
114.09179	16.8
117.07034	2.6
119.08544	4.8
121.06501	4.3
121.10114	4.5
128.10713	6.6
131.08615	4.7
133.08618	4.5
133.10129	8.6
142.12280	3.9
145.10170	3.7
149.13266	3.9
151.09633	7.3
152.09953	4.6
163.11084	2.4
163.14859	2.6
165.12756	100.0
166.13148	2.7
173.13240	6.3
175.11183	5.9
180.13763	3.9
182.15454	9.9
191.14331	6.5
201.12773	5.6
212.16425	15.3
220.16980	10.4
229.19669	2.4
236.20126	39.4
271.20529	7.3
289.21609	7.3
316.26343	5.8
334.13187	8.3
334.23511	4.9
334.27347	58.5
335.25873	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	334.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36873	1.0
55.05516	7.7
56.05032	3.2
56.12105	1.2
57.03435	2.6
57.07076	5.4
58.06598	3.3
59.77955	1.0
60.04530	100.0
65.34229	1.0
67.05517	12.8
67.28489	1.1
68.05035	1.7
69.07074	8.1
69.07391	1.4
70.06590	2.3
70.07817	3.3
71.08625	1.7
72.04519	3.5
72.93355	1.1
74.06082	2.6
79.05511	5.7
80.05025	2.3
81.07055	11.7
82.06584	2.0
83.04961	1.4
83.08629	7.3
84.17967	1.0
85.10181	1.9
88.07624	3.6
91.05476	3.1
92.05816	1.4
93.07040	6.4
94.06544	1.4
95.04941	1.5
95.08609	14.3
97.06527	2.2
97.10164	4.9
98.97567	1.2
100.58178	1.0
102.05565	1.9
102.09181	4.3
105.07019	2.1
106.07351	1.4
106.19241	1.0
107.08625	2.0
107.39389	1.1
109.10147	6.7
111.11729	2.1
111.12513	1.1
116.07090	1.1
119.08589	2.9
120.10252	3.6
121.10165	3.3
123.11740	2.4
131.08603	1.3
132.10216	1.7
133.10124	2.4
135.11729	3.2
137.13210	1.5
144.79155	1.1
146.11777	1.2
147.11678	1.5
170.32784	1.3
175.11333	1.2
211.13066	1.1
221.22614	1.6
239.23775	1.5
262.25299	2.6
268.26340	1.2
272.25821	4.8
280.26334	9.8
281.26575	1.4
298.27487	18.0
316.19739	1.6
316.28488	50.9
317.28726	3.2
334.16589	2.6
334.20593	8.8
334.24661	2.9
334.29517	75.8
335.18286	2.4
335.21869	2.3
335.29758	5.0
341.97403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	84.8
62.81481	4.5
70.57904	4.1
70.98122	52.6
71.44936	4.7
73.52799	3.8
77.33208	3.7
86.09726	4.6
88.99163	19.2
98.97588	34.7
101.00875	7.2
102.68236	4.3
110.97598	6.8
116.98624	17.7
119.01913	8.7
121.06513	39.5
128.98628	22.1
131.01875	6.9
133.03464	3.8
137.05989	4.5
138.09163	9.2
143.01933	8.7
145.03445	4.3
146.99666	36.8
152.05649	4.7
152.07056	7.2
154.96495	25.0
156.97563	6.2
161.02960	5.4
165.00713	18.0
172.97581	81.3
172.99001	4.9
173.02109	37.1
180.05756	5.0
185.03111	5.3
185.06638	7.7
190.98643	95.9
191.02298	7.6
197.08266	6.5
200.97134	11.1
201.01733	4.2
203.04044	8.1
205.00177	20.1
205.03735	4.5
208.99695	14.0
214.98698	12.1
217.05727	5.6
218.98169	35.5
219.01846	10.9
221.03175	5.5
221.05002	19.7
223.01268	15.2
232.99695	100.0
235.06631	23.9
236.99226	9.0
237.02815	7.1
241.02419	4.8
242.12346	3.5
245.05246	7.0
247.01132	10.7
251.00774	40.1
259.22388	4.2
260.98969	5.0
265.02234	9.2
273.07971	4.9
275.00760	40.7
275.05875	6.6
290.07190	4.4
293.01831	48.6
293.10828	13.6
311.03290	4.5
335.07465	54.6
335.11374	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	335.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89749	1.8
53.02637	2.1
56.96567	24.1
65.03926	2.1
69.03410	3.9
69.56123	7.5
72.08131	2.4
78.59840	2.6
84.96027	11.7
85.02879	5.9
88.07613	6.1
91.05466	2.7
98.97588	100.0
102.17470	2.1
107.82031	2.3
108.04449	3.1
110.97582	20.5
116.98631	38.0
119.04918	3.7
122.05978	2.1
126.05529	12.6
128.98618	25.8
134.99622	9.7
136.07436	2.7
140.98540	7.2
143.00140	12.3
144.98076	4.4
146.99594	9.9
150.05473	3.2
151.07518	12.4
152.98567	10.1
153.05408	2.4
158.99655	16.4
161.01166	8.7
166.04843	2.8
170.99683	13.0
177.00676	13.6
189.00615	7.3
198.08971	3.5
215.11765	4.2
219.01776	25.5
229.09616	3.0
237.00676	2.4
237.02838	37.2
243.11229	6.9
271.10794	17.5
275.08017	20.1
281.14322	2.2
287.10059	5.0
289.11798	4.5
293.09073	99.7
299.10223	6.3
311.09894	9.1
316.10770	2.8
317.11246	10.9
335.10022	88.7
335.16217	3.8
336.10352	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	335.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86445	1.5
55.60457	1.5
56.96560	18.3
69.03408	2.1
70.98122	10.3
82.99873	2.0
85.02917	2.4
88.99156	3.4
93.07027	2.4
97.93782	1.5
98.33824	1.9
98.97604	9.6
101.00891	19.6
113.00843	9.6
115.00644	2.2
115.02415	3.4
116.98625	4.4
119.01922	31.2
121.01629	2.4
121.06503	13.0
123.05500	3.8
127.02441	3.0
128.98592	4.0
129.03999	2.2
131.01901	24.6
131.05501	8.2
132.25172	1.9
133.01631	2.7
133.03452	4.9
137.00841	3.9
137.02892	1.8
137.05971	5.1
138.06331	1.7
138.09145	3.6
143.01903	73.9
144.02019	4.8
145.03499	10.2
146.99686	7.4
147.05042	3.1
149.04738	3.1
149.06592	7.1
150.79039	1.6
154.96487	2.1
155.01891	31.5
155.05623	2.4
156.02687	3.5
157.01649	1.8
157.03459	6.0
159.04980	5.2
161.02960	82.4
162.03148	4.2
163.02753	2.0
165.00676	4.1
172.97577	14.3
173.02956	24.2
173.04881	5.9
173.06575	30.3
173.08052	1.6
175.04568	3.1
175.06114	1.5
177.06102	3.4
180.05618	1.7
185.03026	3.5
185.04793	5.3
185.06572	33.8
187.06442	3.6
187.08179	6.1
190.98624	26.2
191.02238	2.2
191.05968	2.7
191.07642	9.2
196.08157	2.3
197.06674	2.7
199.08101	2.7
203.02396	1.7
203.04141	7.8
203.05884	3.2
203.07634	14.7
204.07820	2.2
205.00145	5.2
208.99731	4.6
209.06628	2.1
214.98546	3.0
215.05743	2.3
215.07622	16.5
217.09169	2.0
218.98112	4.5
221.05051	30.6
222.05283	2.7
223.01192	2.8
223.04736	1.9
225.40765	1.5
228.07561	1.7
232.99680	26.6
233.08777	4.3
236.99162	2.7
245.05132	3.0
247.01343	1.6
251.00708	10.7
257.08795	8.9
266.44940	1.8
267.08447	1.8
270.91867	3.7
274.97736	2.6
275.00757	13.8
275.07394	8.3
275.10205	41.3
276.09937	3.0
285.09564	3.1
288.92822	3.1
293.01962	9.3
293.10861	89.4
294.11203	8.4
312.07755	5.7
317.11856	1.8
335.11868	100.0
336.07849	2.0
336.11929	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	335.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	2.9
67.05500	5.1
69.07067	100.0
70.07384	1.7
71.45846	0.8
79.05498	2.9
81.07054	5.4
91.04206	1.1
91.05469	1.3
92.05016	4.3
93.05795	1.4
93.07059	1.5
94.06562	3.8
94.75570	0.8
94.94109	0.7
95.04978	1.1
95.08601	2.0
96.08127	1.1
97.06525	15.7
108.04477	0.9
109.06509	1.3
111.37198	0.7
119.03692	1.1
120.04469	1.0
121.05230	1.1
121.06546	0.7
122.06040	7.9
124.07557	2.8
125.06002	1.3
130.06543	1.4
131.07162	0.7
137.05965	3.1
138.05490	4.5
140.07074	6.8
141.07823	0.9
144.08028	1.8
145.08870	2.6
145.10124	1.3
146.09648	3.7
148.03970	2.9
150.05501	74.1
151.05870	1.6
157.08884	3.9
158.09625	1.0
159.06720	0.8
159.10410	1.1
160.07574	1.1
161.08344	3.2
162.09138	1.9
164.03465	1.3
164.07045	1.3
166.04996	27.8
167.07277	0.8
168.06577	1.5
172.07567	1.4
172.11229	4.0
173.08333	3.3
174.09161	1.7
174.12753	6.6
175.09781	0.8
176.03387	7.4
178.04985	1.6
185.08363	1.4
186.05600	0.7
186.07669	2.0
186.09177	0.9
188.10741	1.3
190.08707	1.0
190.12262	4.3
194.04503	2.7
198.07700	1.6
198.09399	1.2
200.07089	0.8
200.10780	7.9
202.12234	6.2
213.10307	1.4
216.10242	4.0
218.08417	1.4
218.11758	29.0
219.12059	1.4
225.10292	0.8
226.08691	0.8
227.11743	0.9
228.10220	15.5
229.10362	1.0
229.13249	1.2
234.11256	3.2
242.10567	0.9
243.11256	1.4
244.09653	2.2
245.12936	1.7
246.11241	24.8
246.91402	0.7
247.11488	1.2
256.09695	1.4
261.08698	1.1
261.12323	0.8
269.09048	1.0
271.07993	0.9
271.10745	5.5
272.09006	4.6
273.12286	3.1
274.10748	3.3
287.10312	6.5
289.11795	11.5
290.10062	1.0
291.13431	1.1
299.10281	4.9
317.11310	29.1
318.11569	1.7
335.12338	25.5
335.18515	1.6
336.12601	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44687	0.9
59.97139	0.9
63.47355	0.9
65.03940	1.6
67.05501	5.1
69.17664	2.4
69.18074	3.3
72.08158	4.1
79.05479	2.7
79.06691	0.9
81.07053	3.9
82.06558	1.1
83.04992	1.3
86.06075	2.3
88.11267	2.2
91.05499	2.5
92.04979	1.1
93.07045	4.2
94.06566	2.3
95.04957	2.9
95.08658	1.8
97.06531	2.0
108.04498	2.3
110.06047	3.0
111.08096	1.0
119.04966	2.7
120.04423	1.4
121.02881	1.3
121.10161	12.3
122.06010	4.8
124.07617	2.7
133.05298	1.4
136.03943	1.2
136.07613	1.7
138.05504	6.2
139.11157	8.0
140.33008	1.0
147.04401	8.3
148.03880	1.4
150.05539	4.1
152.07079	3.9
153.06638	2.6
154.04987	2.9
155.10789	1.2
156.08064	1.4
156.13860	2.0
158.09650	2.2
164.07063	1.1
166.04971	7.9
168.06598	2.5
170.09669	1.9
174.09149	1.2
174.14912	4.9
181.04947	1.4
182.08287	1.0
183.09171	1.1
184.07629	1.7
186.09233	2.9
187.08607	1.5
188.06987	1.2
188.10796	1.2
189.15919	6.2
198.09254	5.0
199.08728	1.2
200.07137	1.1
200.09239	1.5
200.10872	1.9
201.10242	2.1
202.08627	1.3
210.09233	2.2
211.08780	3.2
212.07138	4.3
212.09427	3.0
213.10333	2.6
214.05222	0.9
214.07088	1.8
214.08867	2.5
215.08112	4.9
215.11742	2.0
216.06606	1.3
225.10263	2.8
226.08704	9.8
227.07869	4.9
227.11635	1.5
228.03001	1.3
228.06682	1.2
228.08678	1.4
229.06082	1.3
229.09644	7.3
230.08212	4.4
231.07675	1.6
238.08699	1.3
239.08141	3.4
240.06602	2.6
240.08998	10.8
241.09691	4.6
242.08217	1.5
242.10605	3.1
243.07684	3.0
243.11290	7.0
244.09996	5.0
245.10449	3.6
252.06580	1.3
253.09720	4.5
254.08018	5.0
255.08740	1.1
255.11356	1.4
257.06555	2.0
257.09158	10.2
258.07620	1.7
258.10046	3.2
259.10889	3.0
267.07709	1.3
268.08426	1.9
271.10809	7.9
272.09143	6.7
273.09653	1.4
273.12424	3.1
275.10254	4.6
286.09552	4.0
287.10281	7.5
288.92365	1.1
289.11850	22.4
299.10245	34.2
300.08447	2.1
307.07254	3.6
307.10712	1.4
317.11310	100.0
318.11649	6.9
335.12418	64.7
335.16672	1.7
335.19989	6.2
336.12939	3.4
336.22589	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.2
60.04525	5.3
67.05508	0.5
69.07042	0.2
70.02947	1.8
70.18887	0.4
75.04469	0.3
79.05486	0.4
81.07053	0.8
84.04491	0.2
85.02901	0.2
88.03993	4.4
91.05501	0.9
93.07045	0.7
95.08606	1.0
98.10158	0.2
100.11256	0.5
102.05539	47.6
103.05851	0.7
105.07003	1.4
107.08579	0.8
109.10124	0.2
113.02356	0.8
118.06569	1.0
119.08556	0.6
121.10152	0.5
126.77761	0.2
128.04947	3.5
130.04984	0.8
131.08604	0.5
132.04446	2.1
133.10146	0.7
135.11656	0.3
143.08549	0.4
145.10118	0.8
146.06003	100.0
147.04501	0.3
147.06364	3.0
147.11720	0.7
149.09521	0.2
157.10172	0.3
159.11667	0.4
160.01823	0.2
161.09587	0.9
162.07611	13.7
163.07979	0.5
171.11664	0.2
174.05502	22.6
175.05797	1.0
179.10687	0.2
182.08148	0.3
185.13263	0.2
191.10663	0.4
197.07166	0.4
197.13258	0.2
211.14816	0.2
213.16360	0.4
243.07628	5.5
244.07991	0.2
253.19543	0.5
271.20547	0.6
275.10257	11.8
276.10471	0.6
287.20020	0.7
289.21439	0.6
289.43503	0.2
293.11310	0.6
299.19974	0.7
303.06360	0.2
303.09729	4.7
317.21045	0.8
335.12521	2.7
335.18234	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22390	0.6
60.04526	8.4
67.05492	0.8
70.06585	0.8
75.79526	0.6
81.07028	0.7
83.04991	3.9
86.09697	2.2
89.03921	5.3
91.05479	0.8
95.04939	0.6
100.07625	4.0
107.07581	0.5
116.53005	0.5
117.03382	19.7
118.03722	0.6
119.08569	0.5
120.08115	1.4
130.08633	1.5
134.03680	1.4
135.04427	0.6
142.08638	22.6
143.08931	0.9
145.02847	56.7
146.03169	1.8
148.90674	0.5
149.05984	9.0
159.11292	14.1
160.07613	0.7
174.05420	0.6
177.05473	100.0
178.05782	3.0
186.05479	1.0
188.07108	0.7
189.09126	0.8
194.08131	4.7
207.10051	0.7
233.08182	0.7
276.12350	3.9
288.12225	0.7
335.05453	0.7
335.15820	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	335.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
65.47977	3.0
67.05505	8.4
84.08144	22.2
93.07030	3.3
95.08628	3.0
103.05457	4.9
105.85803	2.7
120.08068	5.3
126.53944	3.3
131.04950	8.7
157.02873	17.2
158.06023	10.3
161.05981	23.3
174.05515	5.4
175.07610	3.3
177.05435	4.1
180.87770	2.8
185.02417	19.3
186.05495	13.4
189.05458	7.1
203.05765	5.2
217.05019	19.7
218.08131	35.0
233.08061	4.0
234.07692	13.5
246.07611	40.0
264.08630	8.0
270.91302	2.9
288.12296	100.0
300.12338	14.5
305.66467	3.1
317.11557	5.2
317.14926	56.9
335.11026	15.1
335.15988	39.8
336.16772	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	335.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20958	0.5
50.28036	0.6
59.49821	0.5
66.68237	0.5
67.05497	1.3
69.07073	0.6
70.06586	2.2
70.61771	0.8
81.07063	1.1
82.46847	0.5
88.07645	1.4
93.07019	0.7
107.08585	0.8
109.10170	0.7
109.38866	0.6
119.08598	0.7
121.06583	0.7
121.10087	1.0
132.10199	1.0
135.04424	0.8
146.11746	0.8
155.71753	0.6
161.13222	1.0
180.57112	0.6
203.51999	0.7
228.23232	1.0
229.23529	1.9
272.25882	1.3
273.26187	6.4
288.92218	1.0
293.57571	0.9
317.20938	1.3
317.27472	0.6
334.29520	2.3
335.18292	100.0
335.29858	20.1
336.18561	7.7
338.56442	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30501	0.4
55.05518	0.6
67.05492	0.7
67.64269	0.4
69.29772	0.4
69.47949	1.4
69.48354	0.7
70.06607	1.0
73.91683	0.4
79.05521	0.6
80.58874	0.4
81.07062	0.6
91.05511	0.8
93.07072	0.6
95.08659	0.5
105.07036	0.7
105.72298	0.4
107.08578	0.7
128.02010	0.4
135.04384	0.4
152.84474	0.4
272.25952	1.2
273.26172	0.8
334.29602	3.1
335.18286	100.0
335.29242	2.5
336.18582	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	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
56.38351	0.4
57.03451	0.5
58.80914	0.4
61.29367	0.4
67.05521	2.8
69.07062	1.3
70.21889	0.6
70.22221	0.9
72.04517	0.8
77.03921	0.4
79.05499	2.2
81.07059	4.2
83.91972	0.4
91.05495	1.0
93.07045	1.8
95.04938	0.5
95.08617	2.3
99.08071	0.4
105.07038	1.0
107.08599	1.5
109.10168	1.5
119.08606	0.8
121.10104	0.9
123.11707	0.5
131.08588	0.7
133.10152	1.3
141.98628	0.4
145.10139	0.9
147.11699	0.8
165.12752	0.6
195.09984	1.2
237.20471	0.6
243.21040	0.5
335.21924	100.0
336.18402	0.6
336.22180	6.6
336.25851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02274	0.4
69.96039	1.3
83.33359	0.4
93.07027	0.5
106.75943	0.4
111.04086	0.4
117.80472	0.5
124.53905	0.4
165.94417	0.4
166.50270	0.4
181.55161	0.4
195.09933	1.5
232.57964	0.4
335.21918	100.0
336.22192	6.9
336.25742	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28294	0.3
55.05508	1.5
57.03424	1.3
60.83558	0.4
67.05503	5.2
68.55543	0.4
69.07061	1.4
70.71275	0.8
72.04512	1.5
74.04067	0.4
79.05489	2.5
81.07057	4.6
91.05488	1.6
92.14824	0.4
93.07044	3.6
93.41080	0.4
95.04995	0.6
95.08601	3.5
96.08913	0.4
97.06517	0.4
97.61758	0.4
105.07036	1.1
107.08595	1.1
109.06524	0.5
109.10142	1.2
119.08559	0.6
121.10139	1.5
124.34985	0.4
131.08607	0.4
133.10118	0.4
135.11626	0.6
145.10141	0.5
165.12740	1.4
166.13080	1.3
185.13535	0.4
195.09950	1.7
204.26376	0.4
236.20160	0.5
237.20464	1.0
335.21930	100.0
336.22293	6.5
336.26147	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.5
57.03441	0.3
58.95320	0.2
59.14160	0.2
67.05505	1.6
69.00430	0.2
69.07065	0.7
70.20361	0.5
72.99808	0.2
79.05491	0.9
80.94857	0.3
81.07072	1.6
89.06168	0.2
91.05463	0.5
93.07036	1.0
95.04905	0.3
95.08603	1.0
105.07056	0.7
107.08581	0.6
109.10152	0.5
119.08627	0.3
121.10101	0.4
135.11725	0.3
163.07399	0.2
280.45071	0.2
288.92322	0.3
317.21262	0.3
326.85916	0.2
335.21915	100.0
336.18494	0.2
336.22229	6.5
339.68906	0.2
345.87405	0.2
357.96698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.7
57.03434	1.4
65.93265	1.0
67.05500	5.8
69.07059	2.7
79.05472	3.8
81.07076	5.7
91.05473	1.6
93.07041	3.8
95.08614	5.2
105.07043	2.5
107.08625	3.3
109.10125	1.8
119.08586	2.5
121.10145	2.0
133.10127	2.1
141.74120	1.0
145.10080	1.5
165.12755	1.5
173.13245	1.6
174.51888	1.3
281.63028	1.1
335.15771	2.8
335.21930	100.0
335.25601	4.5
336.18292	1.7
336.22266	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	335.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.3
55.05513	18.5
57.03439	18.0
57.07079	4.0
59.60335	0.9
65.03941	2.7
67.05502	73.3
69.03466	0.9
69.07065	18.0
69.65981	1.3
69.66312	1.8
71.04990	9.3
71.08643	0.9
79.05490	39.6
81.07051	75.4
82.07404	1.7
83.04977	1.6
83.08623	7.9
85.06560	2.5
91.05476	33.2
93.06486	0.9
93.07041	55.6
95.04971	12.1
95.08602	62.0
97.06524	5.1
97.10185	2.3
103.05466	1.7
105.04530	1.3
105.07029	34.4
107.08585	31.8
109.06509	4.1
109.10153	29.3
109.10870	1.6
111.08128	3.1
115.05493	2.4
116.06264	2.7
117.07020	8.9
118.41491	0.9
119.06134	1.2
119.08577	38.3
120.08956	1.5
121.10146	26.8
123.08069	4.4
123.11700	8.5
125.09612	0.9
128.06255	2.8
129.05481	1.1
129.06992	5.8
130.07817	2.5
131.08557	34.0
133.10121	34.8
134.10551	1.2
135.08040	5.3
135.11691	17.2
135.12619	1.6
137.09654	2.5
137.13292	3.0
141.07024	1.8
142.07782	5.4
143.08557	11.6
144.09370	3.1
145.10117	27.5
145.11198	1.8
146.10735	0.8
147.08127	1.6
147.11653	10.3
149.09689	3.1
149.13254	7.2
151.11288	1.1
151.14928	0.9
153.06996	1.1
155.08528	4.6
156.09348	6.2
157.10120	13.5
157.11185	1.1
158.10933	5.7
159.11682	12.8
161.09613	5.0
161.13245	6.1
163.11206	1.4
163.14871	3.3
165.06966	1.5
166.07773	1.2
167.08557	1.7
169.10071	5.5
170.10948	3.0
171.11668	13.1
172.12346	0.9
173.13252	23.3
174.13750	1.3
175.11194	1.7
175.14815	9.0
177.16376	1.9
179.08604	2.3
180.09401	1.5
181.10185	2.5
182.10957	1.8
183.11804	3.4
184.12521	1.2
185.13205	5.0
187.11238	1.0
187.14807	9.1
189.12701	1.2
189.16386	1.0
193.10191	3.4
194.10974	2.0
195.11688	7.4
196.12505	1.4
197.13249	9.2
199.14792	11.5
200.15428	1.0
201.12709	1.1
201.16501	1.1
206.11028	1.0
207.11732	2.7
208.12358	1.5
209.13269	4.9
211.14781	5.7
212.15721	3.3
213.12776	1.7
215.14423	1.5
215.17891	1.0
219.11816	1.2
220.12579	1.3
221.13347	3.4
223.14885	3.7
225.16568	1.3
227.14267	1.1
233.13368	1.1
235.14935	2.8
237.16451	2.1
243.21159	7.1
244.21565	1.3
247.14993	1.9
249.16394	1.1
251.18022	2.4
252.18748	1.2
261.16434	1.2
261.22141	7.9
265.19510	2.0
277.19461	4.1
279.17496	1.1
279.23257	1.7
317.24896	3.2
335.18234	6.9
335.25934	100.0
336.26160	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03949	2.7
55.01875	1.2
55.05512	24.9
57.03438	19.3
57.07077	2.1
57.68424	0.5
59.04989	0.5
60.44397	0.4
65.03944	3.8
67.05504	88.2
68.05837	2.0
69.03416	0.9
69.07067	23.2
69.85287	1.5
71.04993	2.6
77.03923	1.1
79.05493	48.5
80.05811	1.0
81.03426	0.8
81.07055	69.4
82.07384	1.6
83.04981	2.0
83.08612	7.8
83.18382	0.5
85.06531	1.4
91.05477	26.2
93.07043	49.1
94.07356	0.7
95.04966	6.5
95.08604	58.0
96.08941	1.1
97.06525	3.4
97.10174	2.4
98.98473	1.1
99.08076	1.2
105.04527	2.5
105.07024	15.2
107.08590	21.7
109.06508	2.2
109.10160	17.5
111.08091	1.8
117.07019	3.6
119.08581	11.3
120.08910	0.6
121.10141	18.9
121.36559	0.6
123.08049	1.9
123.11710	5.3
125.09620	0.7
129.06976	0.6
131.08571	6.1
131.64328	0.4
133.10133	8.5
135.08031	0.7
135.11696	11.9
136.12100	0.5
137.09651	0.9
137.13272	1.0
145.10133	3.8
147.11694	6.0
149.13275	4.1
151.11137	0.9
159.11674	3.6
161.13239	3.6
163.11136	0.6
163.14781	1.5
173.13264	2.5
175.14838	2.1
177.16310	0.8
187.14836	1.6
201.16481	0.5
261.22131	2.3
317.24707	1.5
335.21780	10.9
335.25751	100.0
336.22299	0.6
336.26117	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
51.05423	0.5
53.03941	1.1
55.01864	1.0
55.05258	0.8
55.05511	13.8
55.05775	1.0
57.03437	18.1
57.07067	2.2
64.36279	0.5
65.03935	2.1
67.05502	61.1
68.05846	1.2
69.07066	14.6
69.66350	1.0
69.66732	1.6
71.04988	1.1
71.08646	0.7
72.04507	2.4
74.09675	0.7
75.04462	0.7
77.03944	1.0
79.05492	31.2
81.07055	64.7
82.07393	1.6
83.04954	1.2
83.08624	7.5
85.06545	1.6
91.05476	17.2
93.07043	38.0
94.07384	1.4
95.04964	4.0
95.08603	51.7
96.08942	0.9
96.42262	0.5
97.06516	1.9
97.10170	2.6
98.98472	0.6
99.08094	0.8
105.04536	0.7
105.07034	13.4
107.04960	0.8
107.08594	21.7
108.08936	0.6
109.06511	1.6
109.10157	22.8
110.10491	0.9
111.08068	1.2
113.09659	1.0
117.07027	4.6
119.08574	10.5
121.10138	17.1
123.08085	1.7
123.11710	7.5
125.09550	0.9
129.05467	0.8
129.06958	0.8
131.08556	8.9
133.10104	9.8
134.10420	0.7
135.07993	0.7
135.11688	14.6
137.09599	1.0
137.13254	3.1
143.08615	0.8
145.10123	6.8
147.11658	6.5
149.09625	1.0
149.13245	7.8
151.11162	1.2
159.11717	4.6
161.13260	5.4
163.14827	3.3
164.11551	0.8
165.12758	2.1
166.13104	1.3
171.11627	0.8
173.13269	5.6
175.14835	1.9
177.12727	0.7
177.16312	1.1
179.00998	0.6
179.14268	0.8
187.14806	2.8
189.16518	0.6
191.14331	0.8
192.64027	0.5
201.16408	1.1
213.16814	0.8
217.19534	0.7
222.14941	0.8
237.20355	0.7
243.21083	5.7
245.65332	0.5
261.22141	9.4
279.23398	1.0
289.15479	0.5
291.23029	0.6
317.24725	3.3
335.18231	4.9
335.25766	100.0
336.17975	0.7
336.26080	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	335.2583
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	1.2
55.01879	1.4
55.05512	17.4
57.03438	20.5
57.07077	2.1
59.04996	0.4
65.03942	2.3
67.05505	68.6
68.05839	1.1
68.80103	0.3
69.03418	0.4
69.07068	14.9
69.07448	0.7
69.32699	1.8
71.04991	1.8
71.08636	0.7
73.06553	0.3
77.03920	1.0
78.04765	0.3
79.05493	37.4
80.05835	0.6
80.06284	0.3
81.07056	68.4
82.07392	1.3
83.04980	1.7
83.08617	7.1
85.06544	1.4
89.05981	0.4
91.05477	17.4
93.01424	0.3
93.07043	41.5
94.07392	0.9
95.04973	3.5
95.08605	53.2
96.08952	1.3
97.06519	2.4
97.10154	3.0
97.10648	0.3
99.08096	0.9
105.04536	1.7
105.07026	12.7
107.08591	23.6
108.08929	0.4
109.06517	1.9
109.10155	23.6
110.10477	0.5
111.08097	1.3
111.11749	0.9
113.09661	0.4
117.07007	3.8
119.06093	0.5
119.08583	11.0
121.10143	18.1
122.10493	0.7
123.08072	1.6
123.11703	8.6
125.09668	0.8
129.05479	0.9
129.06996	0.6
131.08572	8.0
133.10132	8.6
135.08089	0.6
135.11694	11.7
136.12103	0.4
137.09613	0.9
137.13246	3.0
139.11186	0.5
145.10120	6.3
147.11684	6.1
149.09605	0.7
149.13240	7.1
151.11189	0.7
151.14769	0.8
159.11690	5.2
161.13271	5.5
163.11215	0.8
163.14815	2.9
165.12817	0.7
171.11700	0.6
173.13280	4.9
175.14830	2.0
177.12720	1.0
177.16367	1.2
179.14310	0.6
186.05119	0.3
186.35281	0.3
187.14845	2.5
191.14336	0.6
199.14990	0.5
201.16396	1.1
205.15901	0.6
209.15346	0.4
215.18060	0.4
219.17513	0.5
219.21095	0.4
223.16850	0.5
223.98077	0.3
233.22609	0.5
243.21037	4.8
261.22153	8.5
262.22443	0.6
277.21680	0.8
279.23154	1.2
291.23267	0.8
299.23691	0.5
317.17871	0.9
317.24860	3.8
318.24988	0.6
335.18524	3.3
335.25793	100.0
336.18332	0.6
336.26141	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	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03941	1.8
54.30118	1.1
55.05511	19.1
57.03178	1.7
57.03440	19.7
57.07061	3.9
65.03928	3.1
67.05506	70.8
69.07067	18.2
69.37022	4.2
71.04996	1.4
71.08628	1.8
74.09750	1.2
74.59225	1.0
77.03914	1.2
79.05492	32.1
81.07059	68.5
83.04974	2.2
83.08625	8.0
85.06545	1.5
85.10196	1.0
89.06044	5.3
89.39088	1.1
91.05475	18.1
91.05991	1.8
93.07047	40.9
95.04973	5.5
95.08611	51.8
96.08939	1.3
97.06551	2.9
97.10172	2.7
105.07052	11.5
107.08607	19.1
107.89898	1.2
109.06539	2.0
109.10153	20.2
117.07027	4.8
119.08567	9.0
121.10157	17.7
123.08075	1.7
123.11696	5.4
131.08601	6.4
133.08611	1.6
133.10118	6.5
135.11694	11.9
137.09653	1.2
137.13275	2.7
145.10107	5.7
146.69131	1.1
147.11707	7.1
149.13240	5.0
151.09644	2.6
159.11682	5.3
161.13263	4.2
163.14825	2.5
173.13249	3.6
175.14748	1.6
187.14806	3.3
243.21071	3.3
261.22104	5.2
317.24588	2.7
335.25812	100.0
336.26086	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	8alpha,13R-Epoxy-14-labden-19-oic acid
Peak:m/z	Relative Intensity
55.05515	6.2
57.03433	1.4
57.07075	6.7
59.04999	1.2
59.49832	0.6
67.05503	12.3
69.03423	0.7
69.07068	7.5
69.22227	3.9
71.04990	1.5
71.08638	6.7
79.05497	6.1
81.07059	14.8
83.04958	0.7
83.08601	2.9
85.06533	2.3
85.10159	1.8
85.49964	0.7
89.06026	8.4
91.05479	3.6
93.07050	8.7
95.04966	1.7
95.08604	14.8
97.06513	1.6
97.10179	2.0
98.23546	1.5
99.08079	2.2
105.07035	3.3
107.08607	4.4
109.06525	13.3
109.10172	5.8
111.08088	2.6
117.07047	0.8
119.08571	5.2
121.06523	0.8
121.10126	4.6
122.07295	1.2
123.08068	36.8
123.11711	2.0
124.08375	0.9
131.08572	1.8
133.08606	2.9
133.10156	1.9
133.51871	0.7
135.08029	4.6
135.11676	1.3
137.09607	4.4
137.13190	0.9
139.11241	1.2
145.10104	2.1
147.11670	1.6
149.09618	1.7
149.13202	1.3
151.09663	7.4
151.11147	2.0
159.11653	1.3
161.13309	0.9
163.11235	0.7
163.14864	0.8
165.12697	1.6
167.14377	1.3
173.13272	1.0
175.14879	0.7
179.14308	55.2
180.14677	3.0
187.14903	0.8
191.10724	0.6
191.14290	1.1
193.15872	1.6
201.16431	0.8
205.15846	0.7
229.54378	0.7
243.21127	0.8
247.17076	0.6
261.22165	1.5
261.71307	0.8
279.19394	4.4
303.23221	4.3
319.28250	3.0
335.25806	100.0
336.18076	1.2
336.26080	10.2
349.96448	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
50.01611	0.2
51.02376	0.3
53.03949	1.2
55.01873	1.0
55.05513	21.7
56.05851	0.5
57.03439	24.5
57.07080	2.3
59.05005	0.5
65.03942	3.6
66.67702	0.2
67.05506	86.3
68.05845	1.6
69.03432	0.7
69.07069	21.3
71.04993	2.3
71.08617	0.4
73.06591	0.3
77.03928	2.0
79.05495	42.7
80.05828	1.0
81.03416	0.5
81.07058	69.2
82.07398	1.3
83.04980	1.9
83.08122	0.4
83.08620	7.4
85.06532	1.6
91.05482	19.5
91.70944	0.2
92.05830	0.6
93.07046	44.1
94.07375	0.9
95.04971	5.0
95.08607	53.0
96.08940	1.3
97.06531	3.1
97.10168	2.8
99.08109	0.9
105.04510	1.9
105.07028	11.2
107.08595	19.3
108.08928	0.6
109.06530	1.9
109.10158	20.2
109.66762	0.2
110.10509	0.4
111.08079	1.1
111.11723	0.4
113.09708	0.3
116.52889	0.2
117.07018	3.4
119.06099	0.5
119.08585	8.7
121.10146	15.8
123.08065	1.6
123.11713	5.6
125.09602	0.6
127.07584	0.3
131.08562	6.1
133.10133	4.9
135.08083	0.3
135.11688	8.4
137.09650	0.7
137.13228	1.3
144.09280	0.3
145.10123	3.2
147.11678	4.0
149.09650	0.3
149.13263	3.5
151.11180	0.4
159.11696	2.8
161.13252	3.2
163.11162	0.3
163.14862	0.9
165.12733	0.4
173.13252	2.7
175.14838	1.0
177.12770	0.3
177.16428	0.5
187.14827	1.5
191.14346	0.4
201.16321	0.5
219.17416	0.4
243.21242	0.6
261.22153	2.5
262.22571	0.2
335.22116	6.1
335.25775	100.0
336.22418	0.3
336.26132	7.2
351.46719	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03926	1.3
55.01853	0.9
55.05514	11.4
57.03439	16.0
57.07066	2.6
58.11274	0.5
65.03931	2.2
67.05509	56.0
68.05826	0.9
69.06715	0.6
69.07077	12.3
69.80435	1.9
71.04991	1.3
71.08630	0.9
72.04509	2.7
74.72222	0.6
77.03939	1.4
77.19677	0.7
79.05494	29.9
80.05834	1.0
81.07059	56.9
82.07384	1.8
83.04951	0.8
83.08617	5.4
85.06516	1.4
91.05486	15.7
93.07048	34.6
94.07379	1.4
95.04976	3.4
95.08610	43.2
96.08926	1.8
97.06522	2.2
97.10165	2.4
99.08092	0.8
105.04496	1.6
105.06360	0.7
105.07035	10.7
107.08596	18.9
109.06489	1.7
109.10162	20.6
110.10458	0.6
111.08094	1.5
115.05536	0.6
117.07024	3.0
119.08597	7.9
121.10157	16.0
123.08100	1.5
123.11715	8.3
125.09620	0.7
129.05522	1.4
131.08594	7.2
133.10143	10.1
134.10417	0.8
135.08029	0.7
135.11696	12.1
137.09589	1.3
137.13222	2.4
143.04312	0.6
145.10150	4.4
147.11707	5.8
149.09595	1.1
149.13260	6.9
151.11180	0.8
151.14781	1.0
159.11732	3.6
161.13248	5.1
163.14812	2.7
165.12683	3.4
166.13077	2.6
173.13249	4.0
175.14819	1.8
177.16380	1.1
180.53488	0.6
187.14862	2.2
191.14265	0.6
199.14796	0.6
201.16322	1.4
211.79100	0.7
212.16405	0.7
236.20134	0.9
237.20279	1.8
243.21098	6.5
261.22189	7.7
277.21606	0.7
279.23199	0.9
289.37872	0.6
317.24805	3.1
335.25754	100.0
336.26096	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	2.2
55.01863	2.2
55.05260	1.2
55.05511	23.3
57.03185	1.4
57.03441	18.1
57.07070	1.7
59.67522	0.7
65.03937	3.1
66.47434	0.7
67.05506	81.7
69.03425	0.9
69.07068	19.0
70.07204	1.4
71.04988	2.5
77.03925	1.3
79.05497	41.8
80.05789	0.9
81.07059	69.7
82.07381	1.3
83.04978	2.4
83.08624	8.8
85.06544	1.8
91.04944	1.4
91.05482	20.9
93.07047	44.4
94.07374	1.8
95.04978	6.3
95.08607	55.1
96.08955	1.9
97.06527	3.2
97.10171	4.0
105.04498	1.5
105.07024	12.8
107.07925	1.5
107.08595	19.9
108.08931	0.9
109.06495	2.4
109.10162	22.6
111.08122	1.3
117.07020	4.4
118.10351	0.7
119.08583	10.3
121.10139	15.8
123.08060	2.2
123.11699	5.7
125.09641	1.6
131.08588	6.4
133.10132	7.6
135.08057	1.8
135.11682	8.7
137.09547	1.3
137.13269	2.4
145.10147	4.5
147.08076	0.9
147.11722	4.9
149.09636	1.1
149.13228	2.8
151.11092	0.9
153.09128	1.3
159.08025	1.8
159.11676	3.4
161.13263	2.9
163.07477	1.2
163.14838	1.5
171.11601	0.9
173.13268	3.2
175.14731	1.2
177.12787	1.1
187.14818	1.3
243.21152	1.9
261.22092	3.3
271.03857	0.8
271.17099	1.2
289.18036	0.9
289.21347	1.1
299.20099	0.8
303.19522	0.9
317.20984	1.9
335.17682	2.9
335.18576	2.8
335.21869	42.9
335.25772	100.0
336.18161	2.5
336.22141	3.7
336.26126	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	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03940	1.8
55.01862	0.8
55.05256	0.9
55.05513	17.1
57.03438	20.0
57.07073	1.9
65.03933	2.4
67.05505	73.9
68.05826	1.2
69.03420	0.9
69.07068	16.9
69.44854	2.5
71.04990	1.5
71.08624	1.0
73.08817	0.5
77.03923	1.8
79.05495	35.4
80.05832	1.2
81.03403	0.6
81.07056	63.5
82.07401	0.9
83.04995	2.2
83.08617	6.5
85.06543	1.7
91.05479	17.5
93.07043	40.0
94.07382	1.6
95.04990	3.7
95.08605	51.1
96.08953	1.4
97.06541	2.2
97.10168	3.1
99.08076	0.5
105.04527	1.7
105.07029	10.9
107.08595	22.1
108.08936	0.9
109.06519	1.7
109.10154	21.2
110.10487	0.6
111.08077	1.5
111.11723	0.7
117.07019	3.8
119.08584	9.3
121.10139	16.5
122.10478	0.6
123.08066	1.5
123.11706	7.5
125.09614	0.5
129.05466	0.7
129.07024	0.5
131.08563	7.1
133.10150	6.2
135.10649	0.6
135.11682	10.7
137.09599	1.0
137.13246	2.1
140.10870	0.5
145.10086	4.7
147.11696	5.4
149.13252	6.0
151.11150	0.7
159.11714	4.3
161.13229	3.6
163.14830	1.9
173.13277	4.6
175.14844	1.8
177.16360	1.3
187.14885	1.8
189.16440	1.1
243.21054	3.2
261.22137	6.6
261.24625	0.7
276.59460	0.5
279.22980	0.8
299.23639	0.7
317.24619	2.5
335.25793	100.0
336.26129	7.5
356.49329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.0
57.03452	1.1
57.07074	34.2
58.07397	0.5
67.05509	4.8
69.07059	2.4
71.04990	0.6
71.08630	32.1
72.08947	0.8
73.06560	3.8
74.20762	0.4
79.05493	2.4
81.07056	4.9
83.08618	3.9
85.06570	0.5
85.10182	25.6
87.04468	2.1
89.06030	100.0
89.38669	0.5
90.06367	1.6
91.05484	1.7
91.07587	0.9
93.07059	2.6
95.08601	3.9
97.10168	1.3
99.11723	2.0
105.07049	1.8
107.07059	6.1
107.08613	2.4
109.10143	1.6
117.09143	0.7
119.08602	1.3
121.10158	1.7
127.64748	0.5
130.08655	2.0
131.08553	1.2
133.08604	33.0
133.10149	1.1
134.08974	0.8
135.11658	0.5
141.16420	2.6
145.10112	0.7
147.11745	0.7
149.13234	0.7
151.09624	4.5
159.11731	1.0
163.14748	0.7
172.30067	0.5
173.13318	0.8
177.11234	7.8
185.19023	1.2
195.12271	23.4
196.12593	0.8
217.19307	0.5
229.21632	2.6
315.29044	0.5
335.19070	2.4
335.21939	1.2
335.25662	2.9
335.27927	7.0
336.18140	0.8
336.28299	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.2
57.07060	6.4
58.90267	2.9
61.10757	3.1
62.06092	3.1
67.05502	10.3
69.07075	3.9
71.05014	2.9
71.36719	3.3
81.07056	7.8
83.08624	3.1
85.06532	4.0
85.44248	2.7
91.05479	7.4
93.07031	10.0
95.04961	4.7
95.08602	44.3
97.10133	3.3
98.97545	5.1
104.28333	2.8
105.07034	20.8
107.04943	4.9
107.08615	12.8
109.10168	17.4
119.04910	3.7
119.08568	27.6
121.06506	65.5
121.10147	11.9
131.08583	11.6
133.06487	5.7
133.10104	14.3
135.08064	12.6
141.05434	6.1
143.08505	4.6
145.10123	10.6
147.08058	16.1
147.11673	27.9
149.09599	4.4
157.10172	8.2
159.08096	4.7
159.11719	7.3
161.06007	5.4
161.13245	28.1
163.07570	7.2
163.70940	3.3
165.05487	8.5
171.11671	16.5
173.09666	3.7
173.13231	5.3
175.07564	5.6
175.11171	9.9
185.13168	3.6
189.12733	50.7
191.14336	13.5
197.13332	5.2
199.11206	9.6
199.14845	11.4
201.05482	3.3
207.13838	6.1
215.14343	14.4
217.12213	41.3
227.17929	8.9
235.13280	100.0
236.13661	4.3
237.16376	5.8
245.15424	4.2
254.94040	4.1
255.17487	12.0
256.36349	3.2
273.18539	14.4
276.22485	3.1
283.17001	14.0
288.92218	4.2
301.17996	36.0
319.19043	76.2
320.19547	4.6
335.30112	4.6
336.17984	10.3
336.30096	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	19.7
57.03439	12.6
57.07079	100.0
67.05161	2.6
67.05510	46.5
69.07065	23.3
69.68266	6.5
71.08636	70.5
79.05488	12.4
81.07069	43.9
83.08622	14.3
85.10192	49.4
87.04453	3.4
89.06036	69.8
91.05470	9.3
93.07051	17.0
95.08608	35.6
97.06524	2.7
97.10161	7.4
98.23332	3.8
99.11718	8.2
105.07039	5.9
107.07070	5.6
107.08593	6.9
109.10147	15.5
111.08090	2.2
111.11728	2.0
113.13275	4.7
119.08584	5.7
121.06603	1.7
121.10163	9.8
123.11681	5.5
131.08557	2.5
133.08604	23.7
133.10109	4.0
135.11731	5.5
137.13246	2.2
147.11673	5.1
151.09665	96.5
163.14804	2.8
177.50386	2.1
184.48853	2.0
276.75507	2.1
288.51547	2.7
293.05557	2.0
294.65454	2.0
319.28430	34.9
320.28918	2.2
336.18079	4.3
336.26086	5.4
337.27368	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33853	0.5
55.05512	0.6
57.07083	2.7
67.05467	0.5
68.02506	1.1
69.19283	2.9
70.04087	2.5
72.50674	0.5
73.98144	0.5
80.60506	0.5
81.07081	0.8
89.06066	0.7
91.77126	0.5
91.87646	0.5
98.23415	1.4
99.09225	2.7
112.06261	0.7
114.26861	0.5
124.08715	2.0
126.10269	2.4
127.99847	0.5
151.09680	0.8
155.15434	5.4
168.12485	3.9
169.26787	0.5
180.15010	1.6
224.18709	9.6
252.80403	0.5
258.45273	0.6
280.24976	19.6
281.25333	1.2
336.31223	100.0
337.27423	1.0
337.31531	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	337.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54902	11.5
70.97157	13.3
98.13735	10.7
98.97562	14.6
101.00892	27.8
112.89590	17.1
113.00865	23.3
119.01904	27.6
127.02428	30.3
131.01917	31.6
138.93808	23.0
145.03452	50.1
155.01849	34.4
156.98012	13.8
157.03494	41.2
171.01440	11.6
173.02946	57.8
174.04344	14.0
174.99113	41.5
175.03838	19.7
185.02943	17.3
193.00198	14.1
193.04990	15.0
215.05165	11.7
217.00174	19.1
217.01941	92.9
217.05011	46.8
229.01935	37.8
229.05014	18.4
235.03064	27.3
247.03014	22.6
326.46194	11.4
336.94775	39.3
337.06143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28237	0.3
53.03951	3.0
53.20112	0.3
56.96566	0.7
59.24601	0.3
66.79078	0.3
67.14240	0.3
69.83726	0.9
77.75036	0.3
81.03419	100.0
82.03751	1.3
98.23313	0.5
98.97594	0.9
99.04443	0.3
121.06530	0.5
127.05048	1.2
153.19849	0.3
157.08612	0.3
158.08118	0.5
168.78531	0.3
268.00641	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04519	0.6
60.33247	0.2
63.93006	0.1
69.65802	0.3
69.66191	0.4
70.02943	0.3
71.01341	0.2
71.04975	0.2
74.02432	0.3
76.76077	0.2
85.02903	0.2
86.02468	0.2
88.03979	0.4
91.05471	0.8
95.08604	0.2
98.23380	0.3
102.05544	2.8
116.04995	0.4
118.06554	1.8
119.04891	0.2
128.04961	5.6
129.05397	0.3
131.05322	0.2
141.09161	0.3
145.02800	0.3
146.06006	100.0
147.04477	1.4
147.06354	3.1
148.03947	1.5
148.06050	0.7
162.05527	0.2
164.53458	0.2
172.03944	3.1
177.05544	0.2
189.36768	0.2
199.05038	0.3
203.33560	0.2
209.81079	0.2
221.08110	0.5
245.04980	0.2
264.59799	0.2
277.08209	0.3
287.06900	0.2
291.09711	0.2
337.12576	1.4
337.17563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16530	0.2
60.04513	0.8
67.95643	0.2
70.75018	0.2
71.01343	0.2
88.03973	0.3
90.05074	0.2
91.05476	0.7
102.05541	2.9
116.04976	0.5
117.05755	0.3
117.56369	0.2
118.06548	1.7
128.04962	4.9
141.09103	0.3
145.02840	0.3
146.06004	100.0
147.04478	0.9
147.06337	3.3
148.03931	1.3
148.06056	0.4
162.05429	0.2
172.03914	2.5
177.05496	0.4
221.08080	0.4
291.09793	0.3
326.25510	0.2
337.08905	0.3
337.12540	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	10.1
55.19981	1.2
56.21176	1.0
57.03438	3.5
57.07079	29.5
59.99114	26.7
64.91867	0.9
66.62565	1.0
67.05506	12.9
69.07066	5.9
71.08633	3.2
72.08163	5.0
79.05490	3.1
81.07059	12.1
83.08624	3.3
85.10197	1.4
86.09710	1.2
88.02218	57.9
88.52278	1.0
89.06036	9.4
90.06376	1.0
90.80782	1.1
91.05485	2.6
93.07056	3.0
95.08611	10.1
100.07627	1.3
105.07047	1.8
107.08611	1.5
109.10172	4.2
112.17665	0.9
115.02088	1.1
116.05317	100.0
117.05629	1.8
119.08582	2.6
121.10174	1.6
123.11716	1.8
132.35646	0.9
133.08586	1.1
133.10133	2.3
135.11708	1.6
137.13298	1.1
147.11720	0.9
148.02490	14.4
151.09662	10.6
152.09985	1.5
156.13872	4.0
172.11545	25.8
194.82358	0.8
204.08788	5.9
264.05344	1.2
337.27402	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	337.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04930	0.4
63.05471	0.4
67.05502	0.9
69.07069	0.5
69.85670	0.7
77.32816	0.4
81.07010	0.9
91.05469	0.5
95.08595	0.7
96.92241	1.0
98.97574	0.5
125.44036	0.4
221.15324	0.7
232.18262	0.5
314.16486	1.2
315.65787	0.5
337.10577	7.9
337.17487	100.0
338.11209	0.7
338.17847	8.5
340.25931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01880	0.8
55.05518	8.7
57.03440	4.3
57.07073	1.3
61.66221	0.4
65.03938	0.8
67.05507	23.6
69.07068	12.7
71.05001	0.6
71.08640	0.7
77.96973	0.5
79.05497	6.5
81.07059	22.1
83.04969	0.6
83.08625	4.6
85.06516	0.6
91.05472	4.0
93.07050	6.6
95.04974	1.2
95.08607	14.9
96.92221	1.0
97.06535	1.4
97.10154	1.8
105.07032	2.8
107.08600	4.4
109.06519	0.9
109.10164	5.9
111.08080	0.8
113.06017	0.9
117.07009	0.9
118.27727	0.5
119.08567	2.3
121.10143	3.2
123.11704	2.4
128.54057	0.5
131.08569	0.9
133.10141	2.1
133.51512	0.5
135.11687	1.7
137.13234	0.7
145.10118	1.0
147.11685	1.0
149.13240	0.8
151.14799	0.4
161.13297	0.7
163.14806	0.5
173.05530	0.7
174.22929	0.4
225.89348	0.5
255.24344	0.9
263.23825	0.5
273.18567	0.7
291.19559	1.2
319.26385	0.7
337.17499	100.0
337.27338	31.3
338.17798	8.2
338.27597	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96149	0.3
54.19995	0.3
55.05511	0.5
63.49074	0.3
67.05500	1.1
69.07072	0.7
69.21577	0.3
70.70877	0.5
72.04512	1.2
73.54987	0.3
79.05482	0.7
80.05116	0.3
81.07037	0.8
84.08141	2.1
85.06521	0.5
89.03912	4.5
91.05488	0.9
93.07049	0.6
95.08598	0.5
100.28575	0.4
105.07037	0.4
109.10143	0.4
114.09166	9.0
117.03373	20.4
126.09153	3.9
131.08553	0.8
134.03609	0.7
135.04422	0.8
141.09088	0.6
143.11795	14.9
144.12210	0.5
145.02840	60.4
145.10123	0.7
146.03169	1.9
146.06007	0.7
147.04425	1.0
147.11685	0.4
149.05957	8.2
150.06238	0.4
161.12865	6.9
163.03912	0.6
169.09723	0.6
175.03835	0.5
177.05461	100.0
178.05806	3.6
186.05507	0.5
197.24712	0.4
203.03423	0.9
221.04506	0.4
222.04114	0.4
234.12485	0.5
248.12875	0.3
253.19621	0.4
260.98123	0.4
271.20551	0.7
277.15338	0.7
289.21436	0.6
309.07391	0.6
319.16528	17.0
320.16660	1.2
337.07034	7.4
337.17752	1.9
337.22607	1.0
338.07504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42598	0.5
57.14212	0.4
58.72239	0.4
69.70310	1.8
81.07084	0.5
95.87517	0.4
109.06503	0.5
109.18803	0.4
110.07964	0.4
152.40976	0.4
184.81328	0.5
225.36383	0.4
319.22357	1.7
337.23465	100.0
338.23779	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73052	7.6
55.05521	20.8
55.91315	7.6
67.05504	42.1
69.07069	35.8
71.04979	39.0
71.42638	8.9
79.05492	24.5
81.07060	69.4
83.08637	8.3
91.05475	40.9
93.07039	65.2
95.04978	39.2
95.08611	100.0
97.06578	9.3
105.07027	79.9
107.08598	60.9
108.30511	7.8
109.06519	24.0
109.10175	32.5
117.07052	21.6
119.08581	91.1
121.10152	94.9
123.08118	12.2
123.11710	64.8
128.06256	12.3
129.07027	17.4
131.08549	48.1
133.10110	49.3
135.08058	32.3
135.11694	13.7
136.14093	7.6
142.07799	19.4
143.08553	36.6
144.09355	10.7
145.10124	71.0
147.11687	23.3
155.08505	15.8
156.09415	15.1
157.10162	72.7
159.11713	29.6
161.09625	22.1
163.11021	9.2
168.09363	10.2
169.10153	35.0
171.11714	34.5
173.13300	8.4
175.14853	22.1
177.16347	15.0
181.10077	9.8
183.11610	37.4
185.13312	14.2
187.14865	13.3
189.16478	10.5
195.11674	21.2
197.13281	39.4
199.14920	10.7
201.12863	14.6
201.16383	12.0
201.19756	7.5
209.13304	19.1
211.14825	15.4
215.14365	15.8
215.18120	11.2
223.14830	17.3
237.02792	9.1
237.16553	8.8
239.17897	16.3
253.19577	11.8
279.20886	18.4
281.19156	14.5
337.25104	78.1
338.25763	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	337.2735
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	1.2
55.05507	28.9
56.05849	0.5
57.03434	20.6
57.07072	4.7
57.07360	0.2
59.39247	0.2
65.03934	2.1
65.33727	0.2
67.05499	65.6
68.05829	1.4
69.03430	0.4
69.07063	39.0
69.22679	1.0
70.07404	0.7
71.04984	1.6
71.08634	1.8
73.06547	0.3
77.03884	0.4
79.05485	16.7
80.05840	0.4
81.07050	61.1
82.07398	1.4
83.04984	1.9
83.08614	17.8
83.13258	0.2
84.08947	0.5
85.06535	2.0
85.10178	0.8
91.05473	9.7
92.05785	0.2
93.07037	15.7
94.07360	0.5
95.04988	1.2
95.08598	44.3
96.08908	1.3
97.06521	3.2
97.10160	8.5
98.10538	0.2
99.08095	1.5
101.06024	0.3
105.04501	0.6
105.07022	7.7
106.07375	0.2
107.08583	8.5
109.06519	0.7
109.10146	16.2
110.10445	0.5
111.08065	1.7
111.11712	2.1
113.09656	0.7
115.07556	0.2
117.07020	0.2
119.08574	6.5
119.09416	0.4
121.09257	0.4
121.10132	7.1
123.08081	0.9
123.11694	7.7
125.08820	0.2
125.09608	1.1
125.13264	0.3
127.11211	0.3
131.08609	0.3
133.10115	6.0
135.11685	4.3
137.09612	1.3
137.13235	2.6
139.11171	0.7
141.12761	0.3
147.11649	4.2
149.13243	2.5
151.11110	0.9
151.14769	1.2
153.12721	0.7
161.13232	3.1
161.14502	0.2
163.14819	2.0
165.12738	0.5
165.16370	0.3
167.14342	0.3
168.08667	0.2
175.14803	2.3
177.16333	0.7
179.14252	0.5
179.17958	0.2
181.15823	0.4
189.16319	0.9
193.15855	0.5
203.17918	0.5
207.17471	0.5
221.18909	0.3
245.22630	1.5
263.23682	2.9
264.24146	0.2
283.53137	0.2
295.22998	0.2
301.83331	0.2
337.27325	100.0
338.27661	7.7
347.43646	0.2
353.93604	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	337.274
Annotation	Methyl 15-hydroxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03949	1.2
55.01875	0.9
55.05516	30.0
56.05834	0.5
57.03443	20.5
57.07079	5.0
65.03947	1.9
67.05510	62.6
68.05838	1.3
69.07074	33.6
69.20692	2.5
70.07414	0.9
71.05007	1.6
71.08636	1.7
77.03952	0.5
78.60641	0.4
79.05499	15.4
81.07063	63.5
82.07391	1.1
83.04993	1.5
83.08627	18.9
84.08955	0.5
84.49353	0.5
85.06546	2.1
85.10208	0.9
91.05487	10.3
93.07051	15.7
94.07388	0.5
95.04973	1.8
95.08615	50.0
96.08954	1.5
97.06524	3.0
97.10177	9.4
99.08100	1.2
105.04517	0.5
105.07031	7.2
107.08603	9.8
109.06527	1.1
109.10165	21.1
110.10533	0.6
111.08095	1.5
111.11725	1.9
113.09687	0.6
119.08578	5.4
121.10165	8.0
123.08083	1.0
123.11706	7.4
125.09639	1.2
129.05518	0.7
133.10127	6.9
135.11693	4.3
136.12035	0.5
137.09615	1.1
137.13248	3.8
139.11198	0.8
147.11679	4.0
149.13245	2.9
151.11264	0.9
151.14833	1.6
153.15927	0.5
161.13246	3.3
163.14854	2.0
165.12808	0.8
165.16408	1.0
173.13452	0.5
175.14841	2.7
177.16508	0.5
179.18007	0.7
181.16225	0.5
189.16423	1.1
203.18039	0.6
241.90303	0.4
245.22647	3.4
263.23776	5.5
319.26434	0.9
337.27380	100.0
338.27719	9.8
351.22083	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	0.7
59.22152	0.7
60.34449	0.7
61.02924	1.2
69.03426	2.8
69.07069	67.6
70.07399	1.1
71.04978	2.2
71.45654	0.7
77.99461	0.6
79.05488	0.8
81.03443	1.6
81.07059	0.9
85.02905	7.7
91.05478	2.0
95.08604	4.9
97.02898	2.7
98.97585	5.2
99.04451	5.8
99.08099	1.1
109.02898	0.8
116.98600	2.8
120.09051	0.6
121.06519	1.1
121.10184	0.9
123.08043	1.2
127.03944	2.1
134.99712	1.1
141.09108	100.0
142.09465	2.7
145.04944	2.3
147.04385	2.4
159.10178	39.8
160.10519	0.8
180.08672	2.8
198.98926	1.3
221.08069	1.4
222.08466	1.8
225.12077	1.1
256.96466	1.3
266.53604	0.8
274.97546	8.4
291.07596	1.0
292.98593	3.2
321.09433	5.5
322.10791	1.7
338.20309	5.3
338.26993	2.3
339.09164	1.1
339.13977	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	338.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04105	0.7
53.03942	1.6
55.01866	1.5
55.05510	3.6
56.96555	1.2
57.03446	1.1
60.56950	0.7
62.11330	0.7
62.27797	0.7
65.03909	1.0
66.95010	0.7
67.05506	7.0
69.03429	17.3
69.03802	1.2
69.07066	4.2
69.63550	3.5
70.06567	0.7
71.04996	1.7
77.03911	1.2
79.05495	11.4
81.07049	4.8
83.04971	2.4
91.05483	11.8
93.07047	14.0
95.04971	7.9
95.08605	5.1
96.87794	0.9
97.02880	1.6
97.06534	1.8
98.22797	1.0
98.97577	8.6
103.05473	3.4
104.21510	0.8
105.07033	11.3
107.04951	29.3
107.05676	1.6
107.08596	7.2
109.06529	3.2
109.10130	1.2
115.05463	1.2
116.98615	5.9
117.07016	12.9
119.08574	6.4
121.06505	16.0
121.10132	3.7
122.80949	0.8
123.04435	2.3
128.06232	1.2
130.07782	2.2
131.04900	2.6
131.08563	5.0
133.06508	2.3
134.99678	1.7
135.08066	2.3
135.11679	4.0
143.08531	1.9
145.06482	5.1
145.10121	31.1
146.10468	1.7
147.08052	2.1
147.52455	0.9
148.05170	1.6
149.05975	13.2
149.09610	7.4
155.08528	0.9
158.07254	0.9
161.09581	1.6
163.11183	24.8
164.11574	1.2
170.34810	0.8
173.09621	10.9
180.97902	1.2
191.10661	100.0
192.10976	4.9
198.98930	2.4
209.11725	44.5
210.12091	2.7
232.96420	1.3
256.96503	1.8
274.97495	16.2
292.98547	6.7
297.99149	1.1
302.17688	0.9
320.18570	2.1
338.19684	3.4
338.23322	1.1
338.96698	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	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05510	100.0
56.05024	3.7
56.05832	7.6
57.03428	11.0
57.07074	3.0
65.03922	4.1
66.23458	2.7
67.05154	5.1
67.05502	75.8
68.05026	14.9
68.05844	15.5
69.03420	10.8
69.07064	60.4
69.65736	9.6
70.07401	6.0
71.08670	3.1
79.05486	42.8
80.05016	6.9
80.05807	5.9
81.03400	5.4
81.07053	97.1
82.07383	14.5
83.04980	11.7
83.08615	35.1
84.04490	3.5
84.62244	2.6
85.06521	4.2
91.05470	27.2
93.07037	21.8
94.02917	7.0
94.07377	7.5
95.04971	5.9
95.08603	41.0
96.04487	41.9
96.08125	15.3
96.08940	10.5
97.06535	6.3
97.10162	74.0
98.06060	6.5
98.10492	4.6
98.97601	15.7
105.07023	23.6
107.08580	20.3
108.04480	3.2
108.08109	6.1
108.08868	3.4
109.06507	3.7
109.10146	9.5
110.06055	4.3
110.10479	5.6
111.08157	3.4
112.07623	3.7
116.98631	6.4
117.07077	3.2
117.93429	3.1
119.08595	17.0
120.08920	3.4
121.10140	11.5
122.06006	3.6
122.09663	3.6
122.10477	5.5
123.11731	8.0
124.07594	29.1
125.09624	54.5
131.08560	5.5
133.10109	8.7
134.10486	3.8
134.99675	3.8
135.11713	5.1
136.07558	4.4
137.13298	3.7
145.29842	2.8
147.11707	18.6
148.07567	3.0
149.09508	3.6
157.12257	4.2
160.78900	2.8
165.12796	10.4
198.89566	2.5
250.17921	2.7
256.96338	2.9
260.16437	4.6
274.97452	18.6
288.19540	7.7
292.22729	4.4
292.98486	7.7
303.23471	3.7
318.53384	2.9
320.22189	47.6
338.23132	3.2
338.27393	59.4
339.27463	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	338.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	6.4
55.05510	100.0
56.05024	3.7
56.05832	7.6
57.03428	11.0
57.07074	3.0
65.03922	4.1
66.23458	2.7
67.05154	5.1
67.05502	75.8
68.05026	14.9
68.05844	15.5
69.03420	10.8
69.07064	60.4
69.65736	9.6
70.07401	6.0
71.08670	3.1
79.05486	42.8
80.05016	6.9
80.05807	5.9
81.03400	5.4
81.07053	97.1
82.07383	14.5
83.04980	11.7
83.08615	35.1
84.04490	3.5
84.62244	2.6
85.06521	4.2
91.05470	27.2
93.07037	21.8
94.02917	7.0
94.07377	7.5
95.04971	5.9
95.08603	41.0
96.04487	41.9
96.08125	15.3
96.08940	10.5
97.06535	6.3
97.10162	74.0
98.06060	6.5
98.10492	4.6
98.97601	15.7
105.07023	23.6
107.08580	20.3
108.04480	3.2
108.08109	6.1
108.08868	3.4
109.06507	3.7
109.10146	9.5
110.06055	4.3
110.10479	5.6
111.08157	3.4
112.07623	3.7
116.98631	6.4
117.07077	3.2
117.93429	3.1
119.08595	17.0
120.08920	3.4
121.10140	11.5
122.06006	3.6
122.09663	3.6
122.10477	5.5
123.11731	8.0
124.07594	29.1
125.09624	54.5
131.08560	5.5
133.10109	8.7
134.10486	3.8
134.99675	3.8
135.11713	5.1
136.07558	4.4
137.13298	3.7
145.29842	2.8
147.11707	18.6
148.07567	3.0
149.09508	3.6
157.12257	4.2
160.78900	2.8
165.12796	10.4
198.89566	2.5
250.17921	2.7
256.96338	2.9
260.16437	4.6
274.97452	18.6
288.19540	7.7
292.22729	4.4
292.98486	7.7
303.23471	3.7
318.53384	2.9
320.22189	47.6
338.23132	3.2
338.27393	59.4
339.27463	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	338.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.1
57.07073	6.6
57.31957	2.9
67.05502	9.5
69.07071	44.6
72.39326	3.3
79.05492	48.3
81.07056	53.3
83.08611	10.4
91.05493	15.4
93.07042	16.5
95.04975	4.3
95.08583	20.3
97.06525	9.2
97.10174	4.9
105.07016	24.1
107.04952	7.5
107.08613	14.9
109.06516	5.7
109.10155	13.3
110.39357	2.9
111.11671	4.4
119.08584	12.2
121.06547	3.1
121.10144	6.4
123.08007	3.2
123.11684	6.1
125.05983	100.0
125.13245	10.2
131.08559	9.0
133.06453	4.0
133.10100	22.8
135.08041	5.3
135.11703	6.4
137.05984	7.6
137.49609	2.8
139.07578	3.5
143.08540	4.3
145.10127	12.1
147.11697	12.1
149.13133	3.3
151.07549	14.2
159.11676	5.0
161.09621	56.8
161.13237	5.4
165.09096	7.5
173.09648	3.0
175.11172	31.5
175.14804	5.2
177.09030	4.7
179.10664	27.8
187.11185	4.5
189.12733	5.1
191.10684	3.5
193.12305	21.0
200.02890	3.4
201.16408	4.4
203.14235	6.9
207.13731	4.1
207.77444	3.2
211.14690	3.6
221.15382	11.2
233.15427	5.1
247.16905	4.2
254.69452	4.0
257.22632	8.1
267.21094	8.3
283.16830	5.1
285.22116	28.1
303.23190	9.7
338.15915	4.2
338.19513	6.5
338.23181	21.2
338.26590	20.1
339.19388	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	338.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
57.06868	2.2
57.07081	22.7
62.98253	8.0
65.13450	1.8
65.75473	1.6
69.07063	5.7
71.08633	42.3
73.06539	3.0
81.07049	2.0
85.10177	21.1
89.06032	100.0
98.23521	4.1
98.91924	1.9
98.97578	15.7
105.07065	2.2
107.07065	6.0
116.98608	9.9
121.10112	2.0
130.08656	2.2
133.08614	34.3
134.99664	3.7
147.98694	1.9
151.09650	4.6
171.17499	3.3
177.11169	9.3
193.04964	2.5
195.12274	40.6
198.98831	3.2
215.20068	4.3
220.67720	1.9
232.96442	1.8
256.96576	2.8
269.11240	3.0
274.97427	26.7
292.98575	12.6
297.99304	2.0
320.25833	2.5
321.17990	6.2
321.26379	58.5
322.26578	3.8
335.11563	1.9
338.19556	2.9
338.26630	3.6
339.19064	85.4
339.27634	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	338.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61299	4.9
56.96565	10.7
62.68067	5.1
62.77357	4.8
71.45177	6.4
80.05024	7.4
88.23434	5.8
98.97597	100.0
110.97575	7.4
116.98617	53.4
121.06502	28.5
134.99649	11.3
137.05965	7.5
138.09172	6.1
150.05537	7.2
158.99727	16.1
177.00833	37.0
178.08635	12.1
180.97884	8.7
189.00630	8.9
198.98946	16.9
213.54675	5.7
219.01965	23.6
220.01991	6.0
243.02074	18.1
244.02448	6.0
249.01158	8.1
251.67964	5.5
256.96436	6.8
274.97443	91.8
279.03931	18.0
286.10654	7.4
289.42987	5.8
292.98520	38.7
293.98785	6.5
298.95477	5.8
303.13391	15.2
338.19562	11.2
338.97009	9.1
339.19589	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	338.9644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61299	4.9
56.96565	10.7
62.68067	5.1
62.77357	4.8
71.45177	6.4
80.05024	7.4
88.23434	5.8
98.97597	100.0
110.97575	7.4
116.98617	53.4
121.06502	28.5
134.99649	11.3
137.05965	7.5
138.09172	6.1
150.05537	7.2
158.99727	16.1
177.00833	37.0
178.08635	12.1
180.97884	8.7
189.00630	8.9
198.98946	16.9
213.54675	5.7
219.01965	23.6
220.01991	6.0
243.02074	18.1
244.02448	6.0
249.01158	8.1
251.67964	5.5
256.96436	6.8
274.97443	91.8
279.03931	18.0
286.10654	7.4
289.42987	5.8
292.98520	38.7
293.98785	6.5
298.95477	5.8
303.13391	15.2
338.19562	11.2
338.97009	9.1
339.19589	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	339.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71764	2.2
69.92145	2.4
94.93026	4.3
98.97578	28.3
104.10769	3.9
110.97591	5.7
112.89614	100.0
114.89343	91.8
116.89139	9.2
116.98633	12.2
128.98567	4.2
137.05975	2.1
141.96370	2.1
147.80089	2.5
158.99655	15.7
165.96687	2.7
174.99301	2.5
177.00746	8.6
189.00716	8.4
219.01823	7.2
226.86719	3.1
231.01871	2.4
237.02664	2.3
239.02791	2.4
249.02879	4.0
262.75797	3.4
264.75607	4.8
279.03842	6.3
303.13400	4.5
339.05048	2.2
339.08493	20.3
339.15466	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73766	3.8
53.37470	3.7
56.96577	9.3
70.84593	5.0
72.10313	3.8
98.97585	42.5
110.97546	5.1
116.98642	18.7
134.99590	4.5
180.97858	5.5
185.84019	3.5
198.99007	7.9
232.96439	4.7
237.02802	8.6
270.47708	3.8
274.97556	48.9
279.03806	4.2
292.98444	21.1
338.96848	10.7
339.10892	100.0
339.15189	4.2
340.10806	8.1
342.30481	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	339.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33636	0.4
56.96581	0.6
70.32204	0.4
70.32529	0.7
98.23495	0.6
98.97587	6.7
99.15962	0.4
116.98637	3.6
134.99660	1.3
158.99765	0.5
177.05313	0.9
180.97862	1.3
185.04243	1.2
198.98961	1.5
232.96388	0.8
256.96436	1.6
274.97510	8.8
292.98569	3.8
332.31714	0.5
338.96698	1.9
339.10516	100.0
340.10779	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	339.1805
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
55.01871	1.3
55.05510	3.9
56.96567	2.3
57.03443	1.8
60.90351	0.8
67.05509	7.6
69.03423	1.5
69.07053	1.8
69.23667	3.8
79.05502	4.8
81.07052	6.8
83.04980	1.4
83.08635	1.4
88.57419	0.8
90.67982	0.7
91.05485	4.4
93.07033	4.1
95.04962	2.6
95.08600	3.2
97.10173	2.6
98.96974	1.8
98.97588	20.2
105.07061	2.1
107.08587	2.5
109.06491	5.0
109.10181	4.8
111.08099	2.0
113.06001	2.9
116.98640	10.2
117.07036	0.9
119.05002	1.1
119.08604	2.5
121.06496	3.3
121.10155	1.6
123.08078	1.2
125.09649	1.0
131.08577	1.2
133.10144	1.9
134.99681	4.5
135.08020	1.6
137.05984	8.1
137.09636	7.1
140.00185	1.4
145.06488	1.0
145.10129	1.3
147.07979	1.1
149.05984	1.1
153.05467	2.5
155.07051	10.2
156.07396	1.0
159.08084	1.0
163.07535	7.3
165.05511	2.9
165.09187	1.3
172.94440	1.1
173.09685	1.7
177.05481	2.7
180.97859	2.5
187.11183	1.2
191.05304	1.4
191.07037	21.5
192.07767	5.4
193.08611	1.7
195.06540	2.1
198.98943	2.9
205.08607	3.0
209.08110	4.8
210.08865	6.2
223.09613	1.0
232.96436	1.3
256.96423	3.9
257.15543	1.0
274.97498	24.2
275.16339	7.7
275.97845	1.3
285.14883	1.8
292.98624	12.4
293.17429	6.8
297.99240	2.1
303.15918	54.3
304.16205	3.5
321.16965	100.0
322.17340	7.0
338.96710	2.0
339.18024	88.4
340.18362	4.8
340.24991	1.3
356.98035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25433	0.8
54.11003	0.9
55.05503	2.7
63.32036	0.9
67.05502	1.6
69.07069	3.0
71.44807	0.8
78.74457	0.7
81.07058	2.3
83.08636	1.5
91.27614	0.8
93.07033	1.1
95.08610	1.9
98.97594	6.3
103.41956	0.8
109.10162	0.9
112.30659	0.8
116.98624	4.6
119.08588	1.3
120.32057	0.9
121.10149	1.7
134.99695	1.6
137.09618	1.0
141.88904	0.9
177.20853	0.8
180.94820	0.9
224.65874	0.9
236.27040	0.9
238.86404	0.9
250.03690	0.9
256.96539	2.0
274.97586	10.2
283.16785	4.1
292.98578	4.8
296.20432	0.9
297.99152	1.7
329.85620	0.9
330.33987	0.8
338.33994	1.8
339.19089	100.0
339.27631	4.4
339.34192	1.7
340.19434	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.191
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05511	3.0
56.05853	0.7
57.03429	1.2
57.07062	0.7
58.03782	0.5
59.96363	0.4
60.90481	0.4
67.05511	3.8
68.05840	1.1
69.07079	3.2
69.27836	2.2
71.08617	0.5
79.05497	1.3
81.07069	3.2
82.07398	1.6
83.08621	1.3
85.06545	0.6
91.05477	0.8
93.07034	1.7
94.96864	0.4
95.08643	2.1
96.08922	1.2
97.06518	0.5
97.10159	1.1
98.97581	3.3
105.07048	0.8
107.08571	1.0
109.10155	1.2
116.98631	0.6
119.08562	0.7
121.10149	0.6
133.10181	0.8
134.99672	0.6
147.11684	0.5
163.72572	0.4
181.45508	0.4
238.14374	0.5
274.97461	4.2
283.16907	0.7
292.98489	1.0
297.99005	0.5
321.24258	0.8
333.91666	0.5
338.27631	1.2
338.34192	1.8
339.19083	100.0
339.27679	7.2
339.34634	1.1
340.19354	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	339.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05289	0.5
55.05516	5.1
57.03433	2.1
57.07077	2.4
62.26215	0.3
67.05505	3.6
69.07067	5.7
71.08624	0.9
79.05504	2.1
81.07060	4.5
83.08612	2.9
85.10192	0.6
89.51466	0.4
91.05489	0.4
91.24300	0.4
92.14084	0.4
93.07047	1.8
95.08615	3.8
96.08929	0.5
97.06533	0.8
97.10173	1.5
98.97591	3.3
99.08089	0.4
107.08609	1.1
109.10149	1.6
110.74902	0.4
111.08070	0.4
111.11704	0.5
116.98612	1.4
121.10168	2.0
123.11702	0.7
125.09619	0.4
134.99608	0.5
135.11697	1.7
141.77249	0.4
149.13263	0.6
153.31741	0.3
247.24214	0.6
247.47313	0.4
248.27168	0.4
256.96548	0.5
265.25378	0.7
274.97379	3.2
291.19528	0.6
292.98593	1.7
297.98956	0.6
307.82367	0.4
321.24313	0.9
339.19073	100.0
339.28647	11.8
340.19415	7.2
340.29279	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.191
Annotation	Thiocyanatin C
Peak:m/z	Relative Intensity
55.05500	0.7
56.96566	0.4
57.07060	0.3
62.26488	0.3
62.98259	5.8
66.83855	0.3
67.05485	1.4
69.07072	0.6
69.46723	0.8
69.47120	0.9
71.08612	0.3
75.92625	0.3
79.05475	1.0
81.07050	1.4
83.04957	0.5
91.05487	0.8
93.07038	0.8
95.04955	0.4
95.08603	1.3
97.06524	0.7
98.97586	4.1
105.07000	0.5
107.08598	0.7
109.06503	0.4
109.10165	1.1
116.98637	2.5
119.08554	0.8
119.37013	0.3
121.10164	0.7
131.08595	0.4
133.10188	0.3
134.99608	0.5
135.07973	0.4
135.11746	0.5
136.05223	0.6
136.06186	7.4
145.10130	0.4
149.78802	0.3
154.47418	0.4
155.10733	0.4
180.97939	0.4
198.98833	0.5
212.84578	0.3
216.76930	0.4
217.08150	0.7
229.11876	0.4
240.35435	0.3
256.96362	0.6
274.97488	5.8
289.18143	0.4
292.98587	2.5
293.21210	0.8
299.18515	0.8
317.19745	2.3
321.17969	6.8
322.18433	0.6
335.20599	1.3
339.19070	100.0
340.19409	7.9
340.24442	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40999	0.8
56.96549	1.7
57.03442	0.9
57.67413	0.9
69.85139	2.7
72.08155	2.6
89.03930	3.7
91.05488	1.4
98.97586	13.3
98.98176	1.4
115.08701	2.2
116.98632	8.6
117.03378	16.8
119.04932	1.2
134.03564	0.9
134.99664	3.1
136.06190	2.1
136.07559	1.0
143.07056	2.1
145.02847	65.8
146.03180	1.8
147.04385	6.4
149.05946	6.0
152.07089	1.7
161.08118	1.9
162.03108	5.1
163.03888	1.8
174.03082	1.3
177.05472	100.0
178.05832	3.1
180.97873	3.1
198.98917	3.0
201.82123	0.9
219.06505	14.1
232.96381	1.2
234.83328	1.0
251.09148	65.4
252.09488	3.0
256.96484	2.6
260.51862	0.9
274.97488	22.3
292.98572	8.9
322.16412	4.5
327.85458	1.0
338.96722	3.2
339.10510	1.6
339.19141	27.1
340.13739	6.4
356.97949	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.9
57.03401	1.7
68.09394	1.1
69.02837	1.0
69.07077	1.1
69.71381	1.0
69.95006	1.1
70.87769	2.1
72.08156	3.3
89.03906	4.0
98.97583	16.0
115.08704	1.4
116.98622	8.7
117.03387	20.4
119.04924	2.3
122.05981	1.3
134.03613	1.2
134.99663	4.0
136.06168	4.1
136.07570	1.5
143.07019	2.9
145.02846	68.6
146.03229	2.0
147.04408	7.5
149.05965	8.0
152.07037	2.4
161.08110	2.8
162.03159	6.1
163.03896	1.6
165.04425	1.2
175.03827	1.5
177.05472	100.0
178.05769	3.4
180.97830	3.4
186.05428	1.3
195.08479	1.1
198.98912	4.7
215.07045	1.6
219.06532	16.0
232.96516	2.7
251.09151	62.9
252.09503	3.2
256.96484	5.1
274.97507	26.3
275.00415	1.7
292.98538	12.8
322.16470	4.7
338.96814	3.7
339.10526	2.6
339.15338	1.3
339.19196	27.0
340.13699	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	339.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58789	0.3
65.03938	7.8
67.05503	68.2
68.05830	1.1
69.07059	1.6
69.66476	1.4
78.51049	0.3
79.05521	0.4
79.52493	0.3
84.08132	0.5
86.09704	37.3
89.03922	5.5
95.04964	100.0
96.05294	1.8
98.97580	4.8
103.12331	0.9
115.05452	17.4
116.05792	0.6
116.98626	2.4
138.60864	0.4
143.04913	54.3
144.05276	1.7
180.13852	6.4
180.97806	0.5
197.16483	6.0
198.98833	0.5
223.14389	3.5
228.13826	9.8
229.14198	0.6
245.16484	19.5
246.16882	0.9
256.96460	1.2
271.14413	5.7
273.25208	0.4
274.97443	6.1
283.16858	0.5
292.98499	2.7
297.99060	0.7
321.19745	1.9
338.96451	0.6
339.20654	29.7
339.26498	2.4
340.21158	2.5
340.28210	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	339.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01479	1.0
56.96566	2.9
65.03942	9.8
67.05504	76.9
68.05856	0.9
69.07052	2.8
70.01074	1.5
70.01380	0.9
70.83893	0.8
79.05455	1.0
81.07049	1.9
86.09704	40.8
87.10042	0.7
89.03916	3.5
91.05511	1.1
93.07038	0.9
95.04967	100.0
95.08584	0.9
96.05291	1.7
98.97578	20.1
102.02160	0.7
103.12325	1.9
105.07032	1.2
108.00993	0.9
109.06466	0.7
109.10147	0.8
115.05460	17.5
116.98622	10.3
119.08575	1.1
121.10113	1.7
134.99612	4.3
140.00218	1.4
143.04919	61.2
144.05234	1.5
145.06467	1.1
167.25340	0.7
175.11220	0.9
180.13809	4.0
180.97826	2.1
188.12125	0.8
190.95345	0.9
191.48355	0.7
197.16513	5.2
198.98914	3.3
223.14378	3.4
228.13803	14.0
232.96426	1.4
245.16495	35.9
246.16902	1.4
256.96490	4.9
271.14359	4.9
274.97501	25.0
275.97992	0.9
283.17014	3.7
292.98572	11.3
297.99072	3.3
315.99863	0.7
321.19598	0.9
338.26627	2.6
338.96649	2.6
339.20706	20.7
339.26913	20.5
339.30798	1.5
340.20828	1.6
340.27716	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	339.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.7
53.20068	0.5
55.01875	2.7
55.05513	6.6
56.08430	0.5
57.03436	2.8
65.03932	1.3
67.05505	7.9
68.99794	0.5
69.03429	1.2
69.07073	3.2
69.21881	3.4
71.04988	2.1
75.07230	0.5
79.05495	29.3
80.05878	0.6
81.03420	2.1
81.07058	100.0
82.07381	2.2
83.04972	1.9
83.08604	2.6
85.02866	0.8
91.05477	5.9
93.07053	6.8
95.04950	3.7
95.08599	5.0
97.02910	0.9
97.06522	4.0
97.10181	3.8
98.22725	1.2
98.97590	2.4
105.07027	6.2
107.04955	5.1
107.08605	5.1
109.02892	3.6
109.06519	77.1
109.10181	2.0
110.06847	1.5
111.04453	1.4
111.08042	1.2
116.98612	0.9
117.07023	2.4
119.08576	5.2
121.06501	2.3
121.10149	3.0
123.04427	6.0
123.08072	3.3
125.06004	1.6
125.09608	2.7
129.06975	1.2
131.08568	2.8
133.06535	1.1
133.10115	4.1
135.08047	4.7
137.09619	2.6
139.25566	0.5
143.08559	1.9
145.06477	1.5
145.10123	2.1
147.08028	2.1
147.11617	0.7
149.09592	1.9
151.07541	6.4
151.11154	1.0
153.09091	1.3
159.08095	3.0
159.11670	1.1
160.66010	0.5
161.09633	6.8
163.07527	2.0
163.11241	1.2
165.09137	2.3
169.10074	1.0
173.09593	1.3
173.13213	0.9
177.09099	1.3
177.12680	0.8
178.30574	0.6
179.10672	4.8
181.12244	0.7
187.11191	1.3
189.09117	2.9
189.11183	1.1
191.10660	0.8
193.12222	1.2
203.12766	1.6
205.12201	0.8
207.10161	2.3
225.11203	1.7
233.15312	2.2
235.54814	0.5
243.17456	3.6
247.53598	0.5
253.15767	1.1
261.18420	5.0
271.16870	7.9
272.17303	0.7
274.97516	3.0
289.17987	34.3
290.18289	1.8
292.98349	0.6
303.19455	2.0
303.22775	0.8
307.18924	1.8
321.17114	0.7
321.20697	6.9
321.24185	1.3
339.21506	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	339.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.5
55.05510	19.2
56.96561	6.3
57.03431	30.0
57.07069	3.0
66.10767	2.2
67.05505	26.4
69.03435	2.7
69.07079	14.7
69.07400	2.3
71.05000	5.9
79.05499	32.0
81.03417	3.0
81.07060	28.0
81.66460	2.5
83.05006	5.6
83.08616	10.4
85.06548	2.5
91.05476	23.8
93.07046	29.9
95.04961	10.0
95.08604	31.0
97.06528	11.7
97.10153	8.5
98.97580	55.1
99.08101	3.4
105.07035	22.2
107.04959	9.2
107.08598	24.3
109.06524	29.1
109.10162	15.3
111.08079	6.2
115.07555	3.1
116.98626	26.5
117.07018	7.6
119.08591	21.5
121.06498	8.3
121.10165	16.4
123.04428	5.9
123.08090	12.8
123.11739	3.6
125.09592	3.5
129.06981	7.8
131.08557	15.6
133.06525	7.2
133.10103	14.1
134.99675	11.4
135.08047	12.0
135.11693	9.6
137.09605	7.1
139.11160	4.8
141.70714	2.4
143.08633	4.3
145.06433	3.0
145.10112	11.4
147.08020	8.9
147.11679	6.0
149.09608	11.3
151.07614	3.0
157.10133	7.3
159.08101	12.9
161.09593	5.3
161.13272	3.9
163.07504	4.7
163.11160	8.1
169.10112	5.4
171.08101	3.3
171.11690	7.1
172.94389	4.6
173.09634	3.3
173.13213	4.2
175.11156	5.6
177.09100	6.0
179.14211	3.2
180.97818	7.2
187.14766	3.2
189.12750	3.5
193.12286	4.0
197.13289	4.5
198.98929	9.3
199.11093	3.6
199.14766	3.7
205.15698	3.5
207.13872	7.1
215.14290	7.4
217.12399	13.2
219.17479	5.0
233.15298	11.7
233.79655	2.7
235.16910	11.1
249.18388	2.5
253.16049	4.0
256.96469	10.1
261.18518	10.1
263.16336	15.1
271.16913	17.6
274.97528	72.4
281.17572	5.1
289.17987	85.1
290.18274	5.4
292.98587	37.0
293.17532	3.4
297.99063	8.3
303.19589	5.7
307.19046	14.5
316.00357	2.5
321.16910	7.5
321.20639	13.7
322.20950	3.1
338.96692	7.0
339.17752	100.0
339.21344	7.0
340.18030	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	339.2532
Annotation	2,6,10,14-Phytatetraene-1,16,18,20-tetrol
Peak:m/z	Relative Intensity
53.03967	2.7
55.05510	26.6
55.29962	1.4
56.05836	1.9
57.03437	4.4
57.07076	8.8
63.74982	1.8
66.30289	1.5
67.05505	26.2
68.21645	1.4
69.03429	6.3
69.07069	33.6
69.44019	5.0
69.44418	3.3
71.04977	3.7
71.08632	28.3
71.08994	2.7
79.05488	16.8
81.07057	43.6
82.07393	2.5
83.04988	3.9
83.08614	14.3
85.06535	4.2
91.05476	11.3
93.07046	22.6
95.04964	10.2
95.08607	36.2
96.08941	3.6
97.06539	6.1
97.10160	9.2
98.23445	3.3
99.08102	22.0
105.07020	18.9
107.04977	1.9
107.08601	14.8
109.06516	28.2
109.10162	12.0
110.10458	1.9
111.08102	3.0
111.11706	2.4
117.07040	3.8
119.08568	13.8
121.06512	14.6
121.10146	12.5
122.41851	1.6
123.08068	4.4
123.11733	5.9
131.08569	8.9
133.10135	6.6
135.08080	7.7
135.11710	6.2
137.09653	3.5
137.13266	2.4
139.11168	6.6
141.09102	1.9
145.10135	7.5
147.08032	1.9
147.11699	5.8
149.09630	4.2
149.13258	4.0
159.11679	3.5
159.92288	1.5
161.13315	4.1
163.11218	5.6
163.14783	3.5
165.12747	60.3
165.76234	1.4
166.13158	2.3
173.13257	2.8
175.14813	2.5
177.12695	11.6
177.16473	2.3
179.14394	2.7
181.15869	15.0
187.14824	2.6
191.14320	5.9
201.12689	2.3
209.15231	1.9
232.10979	1.6
243.21237	2.3
251.16422	2.1
261.22098	22.2
262.22324	1.9
271.20590	3.0
279.23148	10.5
289.21591	86.7
290.21939	5.1
307.22641	26.2
308.22919	2.5
310.57199	1.5
321.24231	100.0
322.24603	6.9
339.28677	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	339.2894
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
53.03943	0.8
53.51655	0.2
55.01872	0.7
55.05514	31.2
56.05851	0.5
57.03442	17.7
57.07080	14.4
58.03780	0.2
58.07405	0.3
59.05003	0.3
65.03940	0.6
66.66164	0.2
67.05508	21.4
68.05845	0.5
69.03439	0.3
69.07071	43.4
70.07408	0.7
70.71022	0.3
71.04994	1.6
71.08633	6.1
72.08142	0.2
72.50797	0.2
73.02897	0.2
73.06559	0.7
79.05496	9.8
80.05836	0.3
81.07061	23.3
82.07392	0.6
83.04991	2.1
83.08623	24.9
84.08959	0.7
85.06544	1.6
85.10187	2.7
87.08091	0.2
91.05482	1.8
93.07050	13.1
94.07375	0.2
95.04980	0.8
95.08611	22.5
96.08946	0.6
97.06532	4.1
97.10172	14.5
98.10483	0.4
98.97600	0.4
99.08112	0.7
101.06021	0.4
105.04536	0.4
105.07029	0.5
107.08597	8.4
108.08980	0.2
109.10162	10.0
110.10494	0.4
111.08094	2.6
111.11724	4.4
113.09653	0.4
115.07599	0.3
116.98645	0.3
119.08556	0.3
121.10152	12.0
122.10456	0.3
123.11721	3.4
125.09635	2.0
125.13278	0.7
127.11192	0.4
129.09116	0.3
129.12721	0.2
133.10123	0.4
135.11696	8.5
136.12033	0.3
137.13223	1.0
139.11182	1.5
139.14787	0.3
149.13271	4.1
151.14824	1.2
153.12700	1.3
155.14302	0.3
163.14859	1.8
165.16357	1.0
167.14334	0.6
171.13870	0.2
177.16388	0.7
181.15968	0.3
191.17949	0.7
195.17464	0.2
205.19452	0.2
211.86299	0.2
240.00485	0.2
247.24214	2.6
248.24562	0.3
265.25259	3.7
266.25671	0.2
274.97552	0.2
283.16898	0.2
292.98505	0.2
339.28937	100.0
340.29272	8.4
340.35760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2896
Annotation	Glycidyl oleate
Peak:m/z	Relative Intensity
50.46205	0.4
53.03941	0.8
55.01871	0.5
55.05512	33.7
56.05832	0.7
57.03439	20.2
57.07077	14.5
65.03922	0.5
67.05505	23.4
68.05822	0.5
69.03360	0.4
69.07068	44.2
69.12059	2.9
70.07405	0.7
71.04985	1.6
71.08631	7.0
73.06564	0.8
77.03941	0.5
77.60097	0.4
79.05495	10.4
79.27410	0.4
80.05807	0.4
81.07057	25.1
82.07394	0.5
83.04979	1.0
83.08620	28.4
84.08964	0.8
85.06541	1.2
85.10184	3.6
91.05473	1.5
93.07044	14.4
95.04972	0.6
95.08607	24.5
96.08937	0.7
97.06524	4.9
97.10171	14.8
98.22723	1.1
99.08101	0.9
101.87396	0.4
105.04525	0.5
105.07059	1.1
107.08591	7.7
109.10160	10.0
111.08080	2.6
111.11715	4.5
118.43768	0.4
121.10146	11.8
122.10496	0.5
123.11704	3.6
125.09634	1.6
125.13280	1.0
135.11699	9.1
135.12747	0.5
137.13260	1.2
139.11162	1.9
149.13246	4.1
151.14815	1.3
153.12749	1.6
163.14862	1.9
165.16380	1.0
167.14307	0.7
177.16385	1.1
179.17937	0.5
181.15872	0.5
193.04938	0.6
204.70688	0.4
247.24271	2.9
265.25314	3.8
296.39343	0.4
339.15662	1.4
339.28925	100.0
340.29294	8.4
352.08191	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54878	0.9
53.03946	5.8
53.52782	0.9
54.31234	1.0
55.01873	6.3
55.05509	1.6
57.03433	5.5
57.07087	1.0
61.02932	5.6
65.17039	1.0
68.99789	2.5
69.03064	2.0
69.03428	33.6
69.65392	4.1
71.04990	4.1
71.49225	0.9
73.02912	4.6
77.69572	1.0
81.03423	20.0
85.02905	100.0
87.00830	46.7
91.03979	1.4
96.35360	0.9
97.02893	29.3
97.10179	2.2
99.04454	12.2
101.48495	1.0
105.01868	77.4
106.02176	1.1
107.08658	0.9
108.04494	2.0
109.02883	20.8
115.03918	1.5
117.01854	2.1
126.05453	1.2
127.03914	70.4
128.04239	1.4
129.01823	3.4
137.05952	1.7
143.10672	5.3
145.04959	30.7
147.02844	2.0
151.18178	1.2
153.00800	1.0
159.02910	14.2
165.90451	1.0
189.03880	3.1
213.03908	3.0
221.08211	1.6
222.08453	1.7
230.11101	0.9
231.05002	21.2
249.06068	9.2
323.11044	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	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01866	5.8
57.03445	3.9
61.02925	5.3
65.53481	1.8
69.03432	35.1
69.95694	2.9
69.96032	4.0
71.04993	3.9
73.02911	5.7
81.03417	18.3
85.02908	100.0
87.00835	44.8
96.09750	1.6
97.02903	31.4
98.23356	2.3
98.97607	2.2
99.04441	13.4
105.01868	89.7
108.04531	2.3
109.02885	28.8
117.01843	2.3
127.03915	75.1
128.04262	2.2
129.01823	3.2
142.41309	1.9
145.04961	37.7
159.02870	12.2
189.04024	2.2
194.56042	1.8
213.03876	3.3
231.05003	22.3
244.31833	1.7
249.06104	9.6
275.97934	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	340.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58797	0.5
63.45290	0.6
70.06600	0.6
70.80220	1.0
71.08630	17.5
84.08122	0.7
86.09713	0.7
88.11268	100.0
89.11597	1.9
91.05831	0.7
98.97593	1.4
100.58041	0.7
110.78719	0.6
116.98628	1.1
120.08116	1.1
136.06186	0.7
178.08612	2.3
179.03328	1.2
201.01797	1.0
231.63145	0.6
268.07690	0.9
359.02859	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.2
54.00442	1.3
55.01867	2.9
55.05510	1.6
57.03432	4.9
57.07079	3.8
61.02926	5.9
69.03064	1.8
69.03431	27.1
69.03799	2.1
69.07081	1.3
69.55460	3.0
69.55847	3.1
70.01623	1.3
70.97289	1.3
73.02907	3.7
74.88567	1.1
79.05482	1.4
81.03412	14.0
84.48862	1.4
85.02908	75.6
87.00834	40.8
93.07114	1.3
94.80528	1.4
97.02897	28.2
98.97594	3.0
99.04436	10.0
105.01871	100.0
106.02241	1.4
108.04482	2.5
109.02878	15.9
124.15981	1.6
125.61277	1.3
127.03919	64.0
129.01813	1.7
136.06175	11.7
137.05951	6.2
141.05505	2.0
143.06985	1.6
143.10696	2.2
145.04967	37.1
147.02902	2.2
155.03407	2.7
159.02896	4.1
169.04990	3.6
178.08549	2.2
179.03421	1.7
189.03902	2.1
213.04001	2.9
231.05028	27.3
249.06061	25.9
250.06400	1.8
260.78329	1.4
275.97955	1.8
322.16315	2.2
323.11270	9.2
340.10983	5.2
341.12018	18.3
359.02844	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	340.212
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16904	2.2
54.69281	1.9
55.05520	4.3
57.67998	1.8
58.06571	1.8
60.55548	1.9
64.12875	1.8
65.76820	1.8
65.89159	1.9
67.05522	6.2
69.07071	8.4
71.04996	13.0
73.04790	2.3
79.05499	13.0
81.07078	3.4
83.04987	4.6
83.08633	2.0
85.06554	5.0
86.09709	100.0
87.04441	2.6
91.05471	9.4
93.07056	11.6
95.04989	4.1
95.08601	4.6
98.97581	3.7
100.11265	13.9
105.07026	12.0
107.04978	4.8
107.08601	14.9
109.06534	3.2
111.04446	5.3
116.98673	2.3
117.07030	5.6
119.08557	9.4
121.06522	7.3
121.10180	9.6
128.10721	3.7
129.07025	5.8
131.08566	20.7
132.10216	26.5
135.04387	2.5
135.08095	2.5
137.05998	2.4
137.09613	4.2
145.10095	13.6
147.08044	8.6
147.11673	2.8
149.06000	2.5
149.09624	39.7
149.89949	2.0
163.07495	2.6
163.11209	14.2
165.09143	2.9
167.10675	41.7
173.09650	5.6
182.15378	2.9
186.12677	1.9
191.10674	27.3
209.11736	34.7
210.14886	10.5
238.25790	2.0
258.18686	2.4
276.19638	17.0
276.73010	3.2
294.20526	10.9
304.18970	2.5
317.04175	2.3
322.20172	15.2
340.21506	10.9
340.25024	3.7
343.30621	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	340.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	12.9
55.05512	22.5
57.03444	9.5
58.32644	5.9
63.99825	6.9
67.05507	51.7
69.07072	10.8
76.42342	5.8
79.05499	21.1
81.07060	52.3
83.04964	52.6
85.06544	9.2
91.05490	33.7
93.07037	31.4
95.04939	7.9
95.08627	19.9
96.85094	6.3
98.23431	23.1
99.31872	6.1
105.07030	53.8
107.07961	6.9
107.08586	40.1
108.97437	5.9
109.06509	9.7
109.10170	72.2
119.08582	7.6
123.11700	17.3
131.08548	7.9
133.10135	96.3
151.07512	19.1
151.11188	100.0
179.10643	11.6
183.13771	44.0
237.73390	6.0
239.84689	6.1
273.18527	7.0
291.19476	11.1
305.21027	7.7
308.39090	6.8
336.50198	7.4
340.28281	6.3
340.35687	20.3
340.39478	17.6
341.20895	13.9
341.26620	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.2499
Annotation	Tumonoic acid A
Peak:m/z	Relative Intensity
55.05519	1.1
57.07067	0.5
65.55029	0.2
67.05509	2.8
69.07060	2.8
69.50432	0.7
73.06570	0.4
77.92142	0.2
79.05498	2.2
81.07059	6.7
82.07406	0.2
83.08614	0.8
83.42597	0.2
91.05483	0.7
93.07043	4.0
95.04964	0.3
95.08611	5.1
97.10178	0.8
98.23443	0.4
98.97598	0.4
105.04466	0.2
105.07024	0.3
107.08595	4.5
109.06509	0.3
109.10155	4.3
119.47396	0.2
121.06488	0.3
121.10149	3.2
123.11713	2.3
125.09621	0.2
131.04929	0.2
135.08066	0.2
135.11693	2.6
136.06184	12.5
137.13271	0.9
147.04399	0.2
149.13252	3.7
161.13193	0.2
163.07498	0.3
163.14848	1.1
177.09111	0.3
189.09148	0.3
205.19505	0.4
247.05244	0.2
274.97458	0.3
275.97760	0.4
294.98083	0.2
304.16068	0.2
322.17389	0.9
336.42981	0.2
340.24954	100.0
341.25266	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	340.9883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96319	0.8
56.96566	8.2
69.50857	2.6
73.03040	0.5
98.97582	85.7
99.97929	0.7
107.00561	0.5
111.19521	0.6
114.95554	0.7
116.98620	34.1
119.34554	0.6
121.23381	0.5
125.31776	0.6
132.96625	0.8
134.99654	6.7
142.68987	0.5
156.96513	3.6
174.97659	16.9
175.97871	1.0
177.00963	2.0
190.95732	1.6
192.98717	9.5
196.94690	1.1
198.97574	4.6
201.01007	1.1
208.96754	0.8
214.95609	9.4
215.95724	0.9
216.98711	53.0
217.98878	2.7
219.01952	11.8
219.03790	0.9
220.02087	1.3
221.01675	0.8
232.96698	13.2
233.96774	1.7
234.99763	60.1
235.99863	3.6
238.63934	0.6
238.95557	1.0
239.96628	0.6
240.98828	2.3
250.97763	6.8
253.00795	1.3
256.96683	25.4
257.96793	3.0
258.01505	0.9
258.97144	0.7
258.99765	19.3
259.99902	0.9
261.00467	0.8
261.02753	3.3
262.03174	1.0
263.02951	3.2
264.03418	0.7
274.97739	38.8
275.98035	4.0
277.00821	20.7
278.00769	1.5
280.96561	3.6
282.99905	1.1
284.00223	0.7
289.96378	0.7
292.98724	4.8
293.99048	0.7
298.97748	82.7
299.97861	9.1
301.01065	0.8
316.98813	100.0
317.98987	12.6
318.06958	1.3
318.99054	0.9
334.99930	1.9
340.00256	1.7
340.98810	30.9
341.98907	3.0
358.99869	55.0
360.00067	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	341.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14072	0.8
56.96283	1.3
56.96566	23.3
57.03424	0.7
69.03428	1.9
70.22530	2.0
71.03092	0.7
71.04990	1.3
71.08641	4.3
71.95264	0.8
73.02917	1.5
74.97604	1.6
81.03411	1.8
81.96098	1.1
84.80511	0.9
88.11271	22.4
89.11097	0.7
89.11604	3.2
91.05829	0.9
95.04996	0.8
98.91967	3.9
98.97582	90.5
99.04478	1.9
110.97579	9.8
116.98621	57.9
117.05508	3.5
117.09145	2.9
128.98601	10.8
134.99664	21.8
137.06068	0.9
140.00278	1.1
143.00145	5.3
146.99596	4.0
151.03868	0.8
153.00754	2.5
157.70853	0.9
158.01289	1.4
161.01213	3.3
164.99789	2.7
173.01263	1.3
179.03404	7.1
180.08742	1.0
183.00760	17.0
183.02274	1.2
185.01221	1.3
189.00650	1.7
197.01247	1.1
201.01833	100.0
202.02281	1.0
203.02232	4.2
215.02330	3.0
219.02895	60.7
220.03290	1.8
224.03375	1.6
225.01788	10.4
233.03288	3.8
243.02896	65.4
244.03218	1.4
251.03418	2.1
255.02826	6.5
261.03958	12.0
266.04477	1.9
269.04453	8.0
281.04517	4.3
299.05438	7.2
317.06613	4.3
341.06598	18.4
341.12042	5.5
342.06662	1.1
342.11768	0.9
359.03278	1.6
359.07611	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
51.44845	0.5
56.99361	0.6
69.03436	1.4
70.06578	0.6
71.45987	0.8
73.04723	0.6
73.09623	0.5
74.35142	0.6
81.03419	0.6
84.98018	0.6
85.02894	1.6
91.05821	1.1
97.02892	1.0
98.97583	1.3
108.11843	0.5
116.94154	0.5
116.98587	1.0
120.13167	0.6
123.04425	10.9
133.02844	8.9
134.03116	0.7
135.04405	1.9
148.55571	0.5
149.26378	0.5
151.03903	3.6
179.03386	100.0
180.03741	3.9
229.01625	0.7
276.97107	0.7
341.08420	1.7
341.12219	1.0
341.17044	0.9
359.03235	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Obovaten
Peak:m/z	Relative Intensity
65.72064	0.6
69.12867	2.1
69.13277	1.7
79.05484	1.7
81.07055	1.4
86.09723	1.3
91.05465	3.1
94.04202	2.8
95.04958	0.7
98.23464	1.1
98.97613	0.6
103.05463	1.9
105.07019	6.0
107.04954	1.6
109.06512	3.0
115.05435	4.4
117.03345	0.7
117.07046	1.1
119.08592	3.3
121.06504	1.5
121.10109	0.8
122.03642	7.6
128.06215	2.6
129.07037	3.6
130.06528	13.0
130.07431	0.9
131.04955	1.0
132.05698	1.9
133.06465	3.5
135.04402	0.6
137.05975	100.0
138.06314	2.8
139.03973	0.7
143.04970	0.7
145.06470	1.3
145.10124	0.6
147.04369	0.9
147.08034	3.6
149.05978	1.9
149.09607	0.8
151.07559	1.2
155.06085	0.8
156.05707	0.7
157.06482	1.3
158.05974	0.7
159.08112	2.9
160.05162	1.6
161.05991	10.7
165.06911	0.9
166.04976	1.9
167.07034	3.0
171.07950	0.8
172.05211	1.8
174.06773	0.8
175.07549	29.6
176.07889	1.5
177.09167	0.9
179.06946	0.8
184.05188	1.0
187.07523	11.4
189.07033	1.0
189.09131	1.8
190.07788	3.4
191.08559	7.7
199.07535	6.9
202.07732	3.9
203.08546	6.1
204.08971	0.9
205.06514	0.7
207.08046	0.8
208.08841	1.1
211.07576	1.8
212.05531	1.8
217.08621	1.5
218.07239	2.5
219.08026	10.8
220.08746	3.1
231.08012	6.7
232.08601	1.2
235.07539	1.5
236.08337	2.1
237.08824	0.8
239.07146	1.2
247.07599	4.2
248.08321	5.4
249.09091	1.3
251.10674	14.7
251.13110	1.3
253.08449	0.8
259.07578	3.0
260.08267	1.1
261.09027	1.5
263.10709	4.3
264.07819	1.4
265.08633	0.9
270.08725	0.8
271.09570	1.9
276.07877	2.0
277.08627	2.7
279.10162	12.5
280.10751	1.4
281.08084	0.6
291.10138	9.5
292.10941	3.8
293.07956	1.1
295.13223	1.1
296.10413	1.3
308.10361	1.0
309.11130	0.9
311.12775	15.0
312.13367	0.7
323.12738	4.1
341.14206	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	341.1385
Annotation	Letestuianin A
Peak:m/z	Relative Intensity
55.01873	2.7
69.78495	5.3
70.02240	1.7
73.04767	1.8
75.85532	1.7
79.05491	5.0
81.07104	1.6
89.06033	2.5
91.05453	16.9
94.04195	4.2
95.04978	2.3
98.23475	3.0
98.96295	1.7
103.05469	12.0
105.03414	3.8
105.07034	14.4
107.04971	2.6
109.06522	3.3
111.04458	2.3
115.05471	7.2
115.07993	1.6
117.07030	4.1
119.04943	13.4
119.08562	2.1
121.06531	3.1
122.03662	9.0
128.06236	2.2
129.07010	4.2
131.04918	14.8
132.05673	2.9
133.06494	13.2
137.05975	100.0
138.06314	2.7
144.05704	3.2
145.06500	3.4
147.04471	8.5
147.07932	2.3
149.05975	3.9
151.07538	7.2
156.05637	2.0
157.06502	3.9
158.07422	2.1
159.08057	6.3
160.05235	2.6
161.05983	23.3
162.06770	3.9
163.07559	13.6
172.05196	7.3
174.06805	7.4
175.07544	26.1
177.05525	3.2
177.09119	4.0
178.07870	2.4
179.07021	2.8
185.06003	1.9
187.07541	43.1
189.09045	9.2
190.07832	5.1
191.08574	6.9
199.07520	6.1
202.07881	3.2
203.08650	10.5
205.06493	3.4
211.07526	4.2
217.08562	20.2
219.08058	14.0
220.08788	5.2
221.09694	3.3
227.07018	3.4
231.07907	10.3
233.09479	2.1
235.07547	4.2
236.08415	2.7
237.09076	3.4
239.07005	2.9
240.07822	3.6
247.07480	7.4
248.08295	14.0
249.09097	4.2
251.10732	10.1
255.06598	3.2
259.07458	3.3
260.08157	2.7
263.06976	1.9
263.10684	12.4
264.07904	3.7
265.08524	5.1
270.08911	4.0
271.09708	11.6
276.07846	6.1
277.08484	3.2
279.10193	16.8
281.08118	1.9
281.11713	2.1
283.09756	2.8
291.10162	24.1
291.68240	2.1
292.10785	2.3
293.08026	4.5
293.11307	1.9
296.10358	5.2
297.11227	3.1
309.11212	40.6
310.11606	4.3
311.12689	19.8
323.12738	24.7
341.13501	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05501	11.2
58.02946	9.1
62.07255	2.2
67.05479	5.7
69.07056	4.4
70.06548	2.4
70.52631	3.1
70.52943	2.1
78.04662	2.5
79.05498	13.3
81.07053	11.5
82.89636	2.4
83.04959	2.1
83.08611	5.4
84.08132	2.3
84.13210	2.3
85.06493	2.6
86.09711	10.5
91.05434	15.0
93.07015	6.5
95.04941	6.6
95.08590	2.8
98.97575	2.6
100.07566	4.8
100.11272	23.2
101.11562	2.6
103.05420	4.1
103.89637	2.1
105.07026	23.4
107.04253	3.0
107.04950	26.9
107.08551	4.6
109.06489	3.0
109.10123	6.2
111.04378	2.3
112.07557	3.3
114.09172	31.7
115.05431	8.5
115.09488	5.4
116.06252	3.0
119.04935	3.3
119.08599	3.0
121.06485	4.2
121.10132	3.3
122.03603	4.3
123.04403	7.1
124.05195	4.9
125.05869	2.1
126.09074	2.8
128.06248	11.1
129.06093	3.9
129.07004	56.1
131.04878	6.2
131.08508	6.5
133.06482	16.1
135.04370	2.7
137.05992	38.2
141.06927	4.3
142.08656	19.0
143.05984	2.9
143.08867	1.9
144.05658	8.8
145.06487	2.9
145.10094	2.6
146.07027	2.5
147.08009	2.5
149.09549	4.1
152.04613	3.6
153.05406	8.5
155.04967	11.6
155.07013	3.6
156.05649	5.0
157.06448	3.2
158.07466	2.2
159.08067	24.2
161.05988	34.7
161.09547	3.8
165.06985	2.3
167.07040	66.8
167.10655	4.2
169.06390	4.2
172.05132	6.0
175.07588	12.7
178.07726	12.1
179.06975	4.0
179.08421	2.7
181.06473	4.8
182.15419	21.8
183.06476	4.0
183.15698	7.1
187.07542	89.5
188.07869	2.8
189.06960	6.9
189.09035	8.6
190.07774	3.4
191.08591	11.2
193.10114	8.1
195.08060	3.8
199.07399	2.8
199.18077	11.8
200.18336	6.5
201.05389	3.5
202.07780	13.0
203.08543	19.5
205.06488	12.1
206.04306	3.2
206.07263	25.7
207.07980	8.6
210.14803	7.5
217.06401	6.4
217.08488	2.9
218.07254	6.4
219.08052	18.6
220.08687	7.7
221.09612	33.9
223.07423	9.3
228.15982	2.5
231.08008	14.3
232.08662	4.0
233.05925	3.6
233.09735	3.1
234.06755	23.5
235.07562	14.5
237.09021	5.3
238.09787	2.6
245.05879	5.4
247.07472	8.1
248.08284	16.8
249.09105	46.5
250.09631	4.6
251.07037	20.5
251.10596	5.7
252.07587	3.6
259.07388	4.0
262.06097	4.3
263.06946	5.9
263.10638	4.4
265.08502	9.6
266.09418	14.2
270.08673	2.3
271.09506	2.2
277.08594	26.9
278.09256	6.0
279.06400	8.5
279.09967	7.4
280.07465	2.5
281.11716	87.1
282.11951	6.1
283.09641	3.5
291.10019	8.7
293.08008	6.2
294.08875	16.5
295.09708	11.4
295.12726	3.2
309.11212	99.5
309.21655	13.3
310.11884	14.6
310.21851	6.8
311.09103	10.3
311.12280	3.1
313.14310	4.0
322.24686	4.2
323.12735	4.3
326.11215	7.4
340.25827	17.0
341.13736	100.0
341.26212	9.0
342.14005	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29430	0.3
55.05513	0.3
62.71781	0.3
67.05492	0.7
69.21996	0.6
69.22405	1.2
71.08610	0.5
79.05490	0.4
81.07061	0.5
93.07088	0.4
95.08609	0.4
95.60431	0.3
98.23424	0.7
98.61127	0.3
109.10143	0.5
120.87086	0.3
157.10129	0.3
227.66386	0.4
293.21082	1.1
319.00128	0.4
340.39581	0.4
341.20648	100.0
341.26620	11.3
342.20987	6.3
342.26852	0.7
342.37442	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	341.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.9
62.98260	8.9
67.05491	2.0
69.07061	0.9
71.05015	0.7
72.16315	0.7
72.35577	0.7
73.81574	0.7
76.50238	0.7
79.05502	1.8
81.07049	1.5
91.05451	1.1
91.46156	0.7
93.07008	1.3
95.04942	0.9
95.08611	2.2
98.97630	0.8
105.07027	2.5
106.15814	0.8
109.10180	1.0
116.98592	1.0
117.07038	0.9
119.72810	0.7
121.10132	0.9
133.10059	0.8
145.10170	1.0
159.11694	1.1
296.25775	0.9
296.49429	0.8
301.20160	1.3
319.21265	3.5
323.19556	10.7
327.15656	0.8
337.22351	3.0
341.20645	100.0
342.21005	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	341.2227
Annotation	Ibogaline
Peak:m/z	Relative Intensity
52.48204	0.4
55.01871	2.0
55.02124	0.5
55.05512	0.6
57.79904	0.4
61.28696	0.5
65.03944	8.9
67.05503	73.1
67.47937	0.5
68.05846	1.5
69.07054	3.9
69.25121	1.9
69.25542	1.3
77.25912	0.4
81.07077	0.8
86.09706	49.5
87.10045	0.6
89.03910	1.0
91.05485	9.0
93.07022	0.4
95.04966	100.0
96.05273	2.3
97.06529	3.3
98.22762	0.9
98.97597	0.7
102.04659	0.9
103.12339	0.9
105.07034	0.5
107.08606	0.6
115.05456	9.7
115.74158	0.5
116.06261	1.4
116.98595	0.5
117.07020	11.9
117.07796	0.9
143.04936	9.9
145.06482	42.1
146.06796	1.0
180.13820	7.1
181.12288	1.1
182.15486	0.7
197.16472	6.1
199.18045	1.1
223.14400	2.9
225.16008	0.7
228.13820	1.6
230.15424	11.6
245.16455	1.2
247.18063	20.5
248.18411	1.1
273.15961	7.7
323.21265	2.5
334.05673	0.6
341.22235	38.0
342.22559	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	341.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.0
55.05516	10.4
56.61942	1.3
57.03432	1.8
57.07069	4.9
67.05504	15.1
69.03426	6.6
69.07061	6.1
71.04990	1.8
71.08636	13.7
79.05488	13.1
81.07052	18.3
83.04977	5.1
83.08629	4.1
85.06549	3.8
88.81908	1.4
89.06023	1.6
91.05478	10.4
93.07045	21.5
95.04983	8.4
95.08605	12.2
96.05760	2.2
97.02898	11.7
97.06526	5.2
98.97598	3.3
99.08113	7.4
105.07024	8.1
107.04974	1.6
107.08586	6.4
109.06524	6.9
109.10175	5.6
111.04450	20.0
111.05169	1.9
111.08085	3.0
113.06017	4.8
119.08596	5.0
120.49474	1.4
121.06516	11.8
121.10123	13.4
122.06779	1.7
123.04468	4.3
123.08076	6.4
123.11694	3.0
124.05232	3.8
125.05989	2.4
129.06993	2.8
131.08568	14.8
133.06551	1.5
133.10139	2.8
135.08028	2.7
137.05974	1.8
137.09575	2.3
139.11198	2.4
145.10149	2.4
147.08032	1.8
147.11751	2.3
149.02353	6.0
149.09639	13.7
151.11139	1.7
157.10088	1.9
159.08009	1.4
161.13263	3.4
163.11205	2.1
165.12704	9.1
167.10681	5.2
168.11432	1.3
171.11743	2.4
179.14345	2.3
181.12231	100.0
182.12601	4.7
189.12775	2.7
191.14273	3.4
193.05014	2.5
207.13916	3.4
277.21597	2.7
295.95920	2.2
305.21091	13.9
306.21738	3.6
307.22733	4.3
308.23361	1.7
323.22153	4.0
341.06555	3.8
341.20767	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	341.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01871	3.7
55.05508	9.1
55.31441	1.3
56.91671	1.5
57.03445	1.5
57.07080	4.5
58.91185	1.5
60.01735	1.4
60.07485	1.4
62.12257	1.2
63.47537	1.3
67.05505	15.6
69.03429	5.4
69.07063	8.4
69.64999	4.4
71.04980	2.4
71.08627	12.1
75.71087	1.4
79.05492	12.9
81.07056	20.1
83.04975	4.0
83.08613	1.6
85.06528	3.5
91.05464	10.9
93.07044	25.0
95.04966	9.1
95.08621	13.2
96.05732	3.3
97.02897	15.7
97.06537	6.5
97.10146	1.6
98.97587	3.2
99.08079	6.8
105.07042	5.0
107.04960	3.1
107.08600	6.7
109.06517	5.5
109.10139	4.3
111.04438	18.1
111.08080	1.6
113.06001	3.1
116.98651	1.5
119.08584	8.8
121.06523	16.9
121.10155	14.7
123.04417	4.3
123.08060	6.1
123.11687	2.4
124.05182	4.1
125.05991	2.5
129.07010	2.3
131.08575	11.9
132.08980	1.6
133.10130	3.8
135.08044	3.3
137.05986	1.8
137.09636	2.4
139.11151	1.7
143.08548	2.0
145.10130	3.7
147.08018	2.0
149.02374	4.9
149.09628	11.8
151.07600	1.6
151.11140	2.5
157.10149	1.6
161.09697	1.6
161.13214	3.3
163.11237	3.1
165.12720	9.5
167.10732	5.1
168.11435	2.0
179.10732	1.5
179.14331	1.8
181.12234	100.0
182.12463	3.7
189.12726	3.2
191.14204	3.1
193.04953	2.5
207.13797	3.3
241.99156	1.2
277.21619	1.7
305.21222	10.3
306.21741	2.5
307.22653	3.2
341.06543	2.6
341.21045	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	341.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21926	2.4
55.01876	60.4
55.05515	31.5
57.07053	3.0
62.06081	4.9
66.27571	2.6
67.05510	48.6
68.99780	6.0
69.03439	23.0
69.07066	15.7
69.43491	14.4
69.94327	3.1
70.24110	2.3
71.04991	8.9
71.08630	32.3
79.05497	25.1
81.03412	4.3
81.07045	24.5
83.04963	8.6
83.08630	16.5
85.02902	3.8
85.06540	8.1
91.05476	27.3
93.07046	38.1
94.07391	3.3
95.04975	11.5
95.08608	76.2
96.08988	3.9
97.02898	12.9
97.06536	9.5
97.10154	5.0
99.04430	3.0
99.08091	28.2
105.07026	15.0
107.04955	11.3
107.08607	18.5
109.06540	6.5
109.10159	41.7
111.04454	14.1
111.08086	62.5
117.06996	4.0
119.08567	36.1
121.06503	7.1
121.10117	8.7
123.04455	4.2
123.08086	5.4
125.09634	7.0
129.07022	6.3
131.08594	8.5
133.10135	9.3
135.08066	8.0
135.11766	4.9
136.06190	7.7
137.06635	3.1
137.09615	88.2
138.09946	5.3
143.08566	3.2
145.10196	4.7
147.08051	10.3
147.11700	10.0
149.09637	8.2
151.11159	8.1
153.09109	16.3
157.10103	6.4
161.09680	4.8
161.13217	3.4
163.11232	4.3
165.09128	26.1
165.12646	3.7
167.10645	6.6
169.12263	29.7
175.11133	17.4
177.12735	5.4
179.10677	11.3
181.12248	3.4
189.12778	4.2
193.12282	15.1
195.10077	4.3
209.11423	3.5
217.12247	3.3
221.01926	3.0
227.17819	3.3
245.18990	18.0
255.17390	5.2
263.20084	14.1
273.18527	36.1
291.19571	100.0
292.19922	7.8
305.21127	41.2
306.21173	4.1
319.59705	3.3
323.22211	38.4
341.22769	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	341.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13916	0.7
52.86635	0.6
55.05508	3.4
57.07065	1.8
63.09909	0.6
67.05510	5.0
69.07066	4.2
69.11943	4.1
71.04997	6.2
71.08616	0.7
79.05497	4.8
81.07063	15.6
83.08588	2.5
85.06554	1.4
86.94795	0.5
90.41742	0.6
91.05479	4.1
93.07045	17.7
95.04940	1.7
95.08029	0.8
95.08604	15.4
97.06528	0.8
97.10154	2.2
99.07994	0.6
105.07033	10.3
107.08596	15.3
109.06503	2.0
109.10165	8.6
109.98740	0.6
111.08077	4.1
111.11697	0.8
113.09619	1.7
117.06979	1.6
119.08579	8.8
121.10149	12.9
123.07984	0.6
123.11724	3.1
130.07764	0.6
131.08556	3.5
133.09349	0.7
133.10141	8.0
135.08073	0.6
135.11700	8.5
137.09605	1.3
137.13193	1.4
143.08517	1.6
145.10147	6.8
147.11685	5.0
149.13252	8.4
157.10138	3.1
159.11702	8.2
161.13278	4.9
163.14798	6.1
169.10115	1.4
171.11629	2.1
173.13271	6.4
175.14763	2.1
177.12759	0.9
177.16360	1.0
183.11601	0.9
185.13283	1.8
187.14807	6.6
189.16365	2.3
191.17975	7.2
196.16382	0.6
197.13217	1.1
199.14761	2.7
201.16344	2.0
203.17845	1.6
213.16270	2.2
215.17841	1.9
217.16095	0.7
217.19484	1.2
227.17863	2.2
229.19460	1.7
231.21031	0.8
253.19521	0.9
257.22705	3.0
267.21115	0.9
271.24005	1.2
283.24179	5.0
323.27350	6.2
341.26535	100.0
342.26877	8.7
342.37280	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	342.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
70.27039	2.6
81.07059	1.5
98.97583	1.5
100.11286	0.9
118.79684	0.8
121.06510	3.9
130.06497	2.0
131.06888	1.4
134.73709	0.8
167.07086	2.8
168.07428	2.1
169.06259	1.0
180.08165	0.9
198.09123	1.2
201.07701	1.1
208.07666	2.2
209.08345	1.6
210.09056	1.0
225.07860	2.3
226.08665	11.4
227.09340	11.6
228.74997	1.0
236.07074	3.9
237.07811	5.1
238.08646	10.2
240.06796	2.9
252.06689	1.4
254.08145	47.2
255.08902	78.3
256.09378	3.7
256.41107	1.1
264.06808	1.0
266.08093	1.7
267.09033	1.8
272.09229	1.4
282.04553	1.3
282.07632	26.3
283.08374	41.9
284.08786	2.9
286.10693	3.5
296.09109	2.0
299.07996	1.3
310.07175	5.4
314.10217	34.1
315.10611	1.6
325.20090	1.7
342.09726	100.0
343.10156	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	342.1411
Annotation	3-Trehalosamine
Peak:m/z	Relative Intensity
50.49810	0.2
51.88478	0.2
53.16790	0.2
56.96550	0.2
57.03429	0.4
69.03422	0.4
70.06572	0.3
71.06126	0.4
71.08617	0.2
72.08170	0.2
81.03407	0.2
81.07059	0.3
85.02888	1.3
97.02882	0.4
98.97569	0.4
99.08089	0.9
109.06527	0.3
110.03531	4.0
117.09130	7.3
117.09964	0.4
127.03912	0.3
127.07504	0.4
128.04539	0.6
135.03029	1.2
137.05991	0.4
137.08229	1.7
145.04955	0.5
153.04059	1.4
162.07790	0.7
163.09593	0.9
165.06456	0.5
178.07185	0.3
180.08800	100.0
181.09175	2.5
226.47678	0.2
258.99731	0.3
277.00864	0.2
319.58813	0.2
325.05698	0.2
342.10599	0.2
342.14142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89666	1.9
54.00019	1.8
55.71539	1.7
57.03437	5.3
60.64428	1.8
61.45336	2.3
68.14944	2.0
69.03436	6.9
70.62275	2.7
71.04989	3.5
71.08610	2.3
71.90594	2.3
72.08152	17.5
81.03403	3.2
81.07072	5.3
85.02905	33.6
87.04475	8.0
87.78963	2.1
94.92984	2.7
97.02901	7.6
99.08108	9.4
104.07111	11.5
109.02893	2.9
109.06509	2.5
112.89606	19.6
114.89362	11.8
116.89101	2.4
117.09135	100.0
118.08653	16.1
118.09408	2.6
127.03957	13.2
127.07558	6.0
128.69560	2.1
145.05002	8.9
145.06436	3.1
159.70061	1.9
163.07602	4.5
163.09650	18.1
180.08804	2.5
180.10254	4.8
181.04990	5.1
289.30063	2.1
324.09705	2.6
342.10364	4.1
342.15427	4.2
343.47205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02318	0.9
57.03446	5.4
61.02934	1.9
69.03432	3.5
70.74284	2.0
71.04993	1.4
71.08624	2.0
78.27224	0.8
81.03417	1.4
81.07059	1.9
85.02902	13.5
85.68758	0.9
85.69409	0.8
97.02904	4.0
98.97596	1.9
99.08094	13.1
109.06533	2.2
116.98643	1.1
117.09134	100.0
118.09492	1.5
127.03940	4.0
127.07585	3.9
145.05005	3.9
152.66583	0.9
163.09650	16.1
232.96544	1.2
278.96854	1.2
360.02994	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05298	0.6
55.05513	7.0
57.03419	0.8
57.07077	11.7
59.04996	1.0
61.02924	1.8
69.03419	3.8
69.33949	1.9
69.34341	1.0
70.06599	4.2
72.08158	1.0
73.02902	1.1
79.98952	0.6
81.03396	1.0
83.08629	3.7
84.04448	0.6
85.02402	1.0
85.02905	15.2
86.09727	0.8
89.06031	35.3
91.03983	0.8
97.02892	4.1
98.97567	0.8
101.08998	1.0
101.09649	15.5
102.09963	0.6
105.03387	0.7
107.07068	36.7
108.07390	0.8
109.02867	1.0
127.03925	2.3
137.06021	0.7
145.04967	2.4
163.13295	100.0
164.13617	3.3
179.84743	0.7
183.17105	0.6
204.06284	0.9
207.05049	1.0
211.09627	0.7
237.50711	0.7
297.07520	1.3
300.52591	0.6
325.07224	0.9
328.05823	1.5
342.13168	0.7
343.08035	5.4
343.12680	6.4
343.17154	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	342.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65384	19.8
55.05515	48.1
56.96562	19.9
67.05499	44.1
69.07070	21.7
69.48369	100.0
79.05507	53.4
81.07056	32.9
91.05460	36.0
93.07063	25.2
95.04975	41.6
95.08601	23.5
97.06545	28.0
97.10164	24.9
98.97591	52.5
107.04934	31.3
107.08614	23.9
116.98608	47.5
119.08626	22.9
125.09638	24.0
159.08054	46.1
233.35626	17.8
289.17960	70.7
292.98404	27.0
295.95956	26.6
296.97437	20.5
325.21295	28.8
342.21500	71.0
343.18835	33.1
343.22415	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01873	5.3
55.05514	20.2
57.03182	2.0
57.03440	28.4
59.01433	1.6
59.05002	2.6
61.15305	1.5
67.05504	27.5
69.03439	10.5
69.07069	8.5
69.35110	3.9
69.35526	5.6
71.04990	3.8
73.25687	1.7
76.20558	2.1
79.05494	21.5
81.03423	7.9
81.07048	19.1
83.04984	7.3
83.08624	7.4
83.16237	1.5
85.02910	1.7
85.06572	2.2
91.05486	23.8
93.07049	28.7
95.04971	17.8
95.08611	13.2
96.08955	1.5
97.06533	15.1
97.10173	14.8
98.97595	5.0
105.07032	14.8
107.04950	7.9
107.08603	17.0
109.06520	18.6
109.10158	22.1
111.08091	14.7
116.98633	2.2
117.07031	3.1
119.08577	10.4
121.06533	7.7
121.10148	3.4
123.08083	7.8
123.11714	3.2
125.09621	13.0
125.27022	1.6
127.07582	3.2
129.07008	2.8
131.08578	4.8
133.06508	2.6
133.10139	20.8
135.08086	5.2
135.11707	2.0
136.35562	1.8
137.09634	16.4
139.07549	100.0
141.07039	2.1
143.08591	2.0
145.10127	4.0
147.08089	2.3
149.09596	2.3
151.07562	2.6
151.11200	13.6
153.09103	7.5
155.10725	2.0
159.08075	5.0
161.09641	2.4
163.07555	1.8
165.09132	2.1
171.10184	2.1
171.11649	1.8
173.11777	2.8
177.09134	3.3
180.79156	1.6
186.25436	1.5
187.14935	1.7
189.11221	15.5
189.12657	2.1
211.11037	1.8
215.12567	1.9
215.14417	2.8
219.13872	4.3
233.15402	3.9
237.14955	1.9
240.23157	2.1
261.18546	4.5
269.77872	1.8
271.16943	7.3
289.17993	25.5
290.18365	1.9
307.19064	26.4
308.19467	2.3
321.90305	1.6
342.13721	1.7
342.28940	9.5
343.15237	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.3
55.01873	11.4
55.05510	34.0
57.03439	8.8
57.07072	11.9
58.26337	3.5
62.47678	3.7
63.85789	3.4
65.84769	3.2
67.05503	57.3
69.03440	6.1
69.07068	15.9
69.18002	13.8
69.18413	7.6
71.05002	8.6
79.05505	22.7
81.03410	10.0
81.07060	40.5
83.04986	100.0
83.08624	6.4
85.06554	4.5
91.05479	35.1
93.07040	27.9
95.04967	13.9
95.08602	25.9
97.06540	47.4
97.10131	3.8
98.97591	7.9
102.19597	3.7
103.98914	3.1
105.07024	29.6
107.04971	12.3
107.08597	31.4
109.06547	9.5
109.10155	41.7
111.08098	8.3
113.06013	6.7
119.08593	9.5
121.06538	6.7
121.10162	8.7
123.08076	15.3
123.11735	11.2
125.06039	4.8
127.07601	5.5
129.07037	6.3
131.08525	7.5
133.06538	4.9
133.10115	54.2
134.78156	4.0
135.08084	11.0
135.11655	5.3
141.09096	3.9
145.06520	4.1
145.10127	4.1
147.08037	4.9
147.11661	5.0
149.09642	7.8
151.11212	26.5
161.09543	3.7
165.08987	4.0
173.09814	4.9
175.11249	5.9
177.77000	3.7
191.10658	3.8
192.32106	3.4
193.12212	9.7
207.13820	5.6
211.13298	6.4
234.24834	3.6
240.23218	96.4
240.25528	6.7
243.17548	5.4
247.17079	3.7
278.31735	3.3
289.18018	26.4
307.19128	7.2
342.28992	19.3
343.11923	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	342.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	15.0
55.05516	56.5
57.03434	34.9
67.05502	79.2
69.03452	10.1
69.07072	53.3
69.26812	44.4
69.78921	8.6
71.04999	25.2
77.03893	7.8
79.05495	89.7
81.03412	28.5
81.07064	56.5
82.75884	7.4
83.04992	12.1
83.08620	29.3
84.75683	8.5
85.02937	10.7
85.06518	13.6
85.66756	8.9
90.48196	7.4
91.05504	49.2
93.07045	68.5
95.01331	8.4
95.04967	53.2
95.08599	36.6
97.06536	100.0
97.10165	29.6
98.97605	21.8
105.07064	38.1
107.04979	36.8
107.08605	47.7
109.02882	10.7
109.06521	32.5
109.10177	16.4
111.04433	11.2
113.06013	15.8
117.06998	18.4
118.67733	7.8
119.08573	34.7
121.02857	13.4
121.06495	20.7
121.10155	52.6
122.10475	8.8
123.04446	10.7
123.08073	58.2
125.05992	53.8
125.09648	23.8
131.08572	29.8
133.10136	18.1
135.08034	21.9
137.09636	19.0
143.08643	10.1
145.10120	23.2
147.08061	15.3
147.11678	21.2
149.09602	28.3
151.07516	8.7
157.10199	14.0
159.08061	49.0
161.09680	11.3
163.07616	16.8
163.11230	11.2
167.10716	23.0
175.11273	17.8
177.09187	10.3
189.11205	32.8
193.12259	21.5
211.13249	10.3
221.11717	30.5
233.15424	26.3
237.14856	16.3
239.12769	11.1
247.13182	11.7
253.15945	9.5
271.16956	12.9
289.17950	58.2
307.18951	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	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99477	5.2
55.05510	28.9
57.03442	48.1
67.05511	42.9
69.03436	13.4
69.07082	10.0
69.81208	22.3
79.05490	37.3
81.03414	19.9
81.07043	29.1
82.07415	7.6
83.04983	9.2
83.08600	19.6
85.06546	6.0
91.05470	33.6
93.07044	25.7
95.04967	18.6
95.08620	17.7
96.34385	5.9
97.06517	14.6
97.10177	21.5
105.07017	18.9
107.04955	12.9
107.08595	19.6
109.06535	29.4
109.10178	16.8
111.08056	8.6
117.07001	13.8
119.08582	21.9
120.32009	6.6
121.06502	10.6
121.10152	10.4
123.08044	9.5
125.09650	12.3
129.07008	6.0
131.08572	13.4
133.10130	9.3
135.08087	18.0
136.96362	5.6
137.09615	22.9
139.07597	8.6
149.09598	9.4
151.07539	29.3
153.09081	30.7
159.08035	7.2
161.02324	5.7
163.07581	6.2
167.10637	7.3
171.11516	7.0
175.11244	9.7
189.11238	7.5
197.13324	7.5
199.20488	5.4
233.15308	7.8
269.40848	7.0
271.16940	20.7
289.17981	100.0
290.18335	7.2
296.98633	8.0
306.17828	16.0
307.19080	12.2
312.35571	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	342.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	11.7
55.05522	60.1
57.03441	72.6
59.04975	7.9
67.05511	57.4
69.03423	9.3
69.07061	22.0
69.64437	18.6
69.64847	15.4
74.00861	7.2
77.03898	8.6
79.05496	67.0
79.65098	6.9
81.03407	12.7
81.07059	39.3
83.04984	17.4
83.08623	25.3
85.06554	10.8
86.09673	8.1
91.05489	49.6
93.07059	37.2
95.04964	31.1
95.08604	33.5
97.06542	17.5
97.10170	44.5
98.97587	20.5
99.08080	7.5
105.07033	25.1
107.04958	28.4
107.08629	38.1
109.06510	50.9
109.10156	18.6
111.04436	9.8
116.98653	9.4
117.07027	23.7
119.08601	38.2
121.06492	22.6
121.10144	12.2
123.04398	8.5
123.08089	12.1
125.09637	47.6
129.06985	9.5
131.08568	15.7
133.10114	16.9
135.08052	18.0
137.09636	100.0
138.36832	6.6
143.08543	11.0
145.06470	8.5
145.10085	8.0
153.09131	47.4
159.08069	26.6
162.76303	7.9
163.07553	10.8
171.11667	11.2
189.11206	34.7
191.88838	8.4
214.12656	8.5
233.15442	15.2
243.17326	9.9
253.15779	9.2
261.18558	19.3
271.16946	20.5
289.18073	63.3
296.97885	11.5
307.18893	11.3
342.17621	16.3
342.31863	11.7
343.26740	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05516	37.3
57.03427	11.4
67.05505	100.0
69.03438	8.5
69.07071	35.7
69.86721	5.7
69.87098	9.4
71.04984	13.2
73.78698	4.3
78.76638	3.9
79.05496	94.7
81.03431	12.9
81.07056	73.5
83.04993	11.5
83.08612	27.3
84.59531	4.2
85.06541	7.4
91.05483	73.9
93.07045	86.6
95.04967	26.5
95.08617	61.3
97.06549	20.4
97.10191	16.1
105.07024	56.2
107.04996	5.4
107.08602	57.1
109.06514	11.5
109.10167	58.6
111.08096	8.5
117.07001	21.3
119.08588	49.3
121.10141	46.1
123.08118	7.3
123.11723	10.3
125.09626	23.3
129.07001	6.6
131.08583	25.7
133.10133	36.9
135.08047	9.0
135.11723	9.6
137.09615	20.4
139.11229	7.5
143.08598	9.0
145.10117	22.7
147.11681	23.3
149.09621	6.9
153.09111	5.3
153.25571	4.3
155.10661	9.6
157.10187	8.4
159.11678	19.0
161.13271	5.1
163.14819	4.2
173.11739	35.1
173.13271	15.3
183.11763	4.7
185.13261	7.8
187.13309	9.2
189.16284	4.1
193.12279	6.7
199.14798	5.3
199.42375	4.0
203.12718	8.5
235.16913	4.5
257.18976	11.9
275.20059	32.6
289.21664	7.3
307.22852	7.4
338.74112	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
54.47613	1.8
55.01617	3.9
55.01875	62.9
55.05512	30.9
57.07076	4.1
67.05506	21.1
69.03468	2.2
69.07076	10.5
69.32288	7.5
69.32701	2.9
71.08622	4.8
79.05511	11.4
81.03432	5.8
81.07063	20.9
83.04974	5.0
83.08639	4.0
89.71540	1.9
91.05458	9.3
93.07049	13.5
95.04977	10.0
95.08620	11.8
97.06529	2.1
97.10175	11.7
99.08068	3.7
105.07036	4.3
107.04961	8.6
107.08607	6.2
109.06505	4.7
109.10169	9.2
117.07010	4.0
119.08580	7.3
121.10156	5.0
123.08062	3.9
125.09638	100.0
126.09965	3.3
127.11214	2.1
131.08578	6.6
133.10126	2.8
135.08061	6.4
135.11702	3.7
136.16803	2.1
137.09624	9.1
139.11229	2.4
145.10149	2.5
149.09648	5.5
151.11212	13.5
159.11711	3.9
161.09665	2.3
163.11224	2.8
165.09033	2.5
173.13316	2.8
177.12781	9.8
183.11775	2.7
187.11047	2.9
191.14325	4.8
195.13715	3.3
223.13211	2.0
229.19551	3.3
247.20694	3.2
257.18979	10.5
275.20151	27.8
293.21176	11.4
307.22665	18.3
342.20889	5.4
342.37363	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	342.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26095	2.1
50.31614	1.8
55.01879	17.7
55.05505	16.0
57.07064	10.2
58.08337	2.3
62.06096	3.6
62.56834	2.0
67.05502	14.2
69.07065	8.7
71.08619	6.3
71.47359	2.3
72.08157	2.7
79.05495	9.9
81.07063	22.1
83.04964	4.2
83.08620	3.6
85.06545	4.3
85.10194	2.5
91.05493	11.2
93.07040	7.0
95.04967	6.7
95.08597	10.5
97.10134	3.1
105.07018	8.6
107.04964	2.7
107.08602	9.4
109.10165	14.5
111.60433	2.1
117.07037	3.0
119.08573	7.8
121.06509	2.7
123.08057	3.4
125.09631	29.7
131.08551	2.9
132.33197	2.3
133.10149	14.4
135.11700	3.5
137.09613	4.8
145.10112	2.9
151.11176	19.8
174.18529	4.0
183.13808	7.9
221.11581	2.4
230.24684	3.7
257.19135	3.4
275.20099	15.1
276.55099	2.3
293.21072	4.0
307.22702	7.7
342.26907	4.0
342.37296	100.0
343.11288	4.6
343.22342	3.5
352.67111	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	36.5
57.03445	8.3
57.07090	8.0
61.53622	6.8
67.05508	95.8
69.07056	52.3
70.70836	12.8
71.05003	24.6
73.06550	67.1
79.05504	69.2
81.07058	73.9
83.08619	11.8
91.05498	71.2
93.07039	82.3
95.04980	18.4
95.08613	81.4
97.06548	20.7
97.10194	8.9
105.07024	61.6
107.04954	21.6
107.08553	34.2
109.10136	43.5
117.07024	26.9
119.08586	61.6
121.06519	9.5
121.10165	35.1
125.09647	14.3
127.07600	7.4
131.08566	37.5
133.10147	44.1
135.08072	31.5
135.11711	8.2
137.09628	23.0
145.10143	22.7
147.11714	25.0
149.09642	12.5
157.10222	10.4
159.11662	19.7
161.13268	13.1
163.11110	7.9
173.11745	32.1
173.13187	16.4
174.51306	7.7
185.13185	12.9
203.12817	14.7
230.24794	28.1
235.16811	7.1
237.14888	11.9
247.20630	9.1
257.18997	17.4
275.20093	100.0
293.21155	31.1
307.22769	14.5
342.37360	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	342.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89612	4.7
55.05506	18.6
57.07077	8.7
65.72417	4.8
66.81493	5.8
67.05510	32.3
69.07056	17.8
74.63578	5.5
79.05491	29.5
79.94947	5.1
81.07058	81.7
83.08605	16.7
90.76658	4.8
91.05483	20.0
93.07039	20.1
95.04971	17.5
95.08599	27.8
97.02861	5.8
97.06511	11.2
98.97585	13.0
105.03357	14.0
105.07027	20.2
107.04955	8.6
107.08598	11.3
109.06515	32.4
109.10133	14.3
109.87051	5.6
111.08099	9.2
116.98629	7.8
117.07007	9.3
119.08575	19.2
121.10174	11.2
123.08128	8.8
131.08578	8.2
133.10138	21.3
135.11708	8.4
145.10133	15.4
147.11729	12.3
149.09628	11.0
153.16792	5.7
157.10164	6.8
159.11621	7.5
163.07506	6.2
163.11208	17.7
175.11220	5.8
177.12843	5.1
180.16942	5.6
197.92279	5.9
230.63214	6.3
239.17920	6.3
240.23082	7.0
258.28091	7.2
275.20038	100.0
293.21027	7.3
295.96088	8.6
307.22653	57.6
342.09689	18.9
342.33768	8.6
342.37363	50.4
343.43042	5.6
355.77527	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	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63204	4.5
55.05524	28.9
57.03449	9.8
60.04519	7.5
67.05510	57.1
67.76137	4.3
69.07079	29.6
69.67214	6.3
69.67604	8.5
71.04968	9.4
79.05494	65.0
81.07063	59.0
83.05025	6.0
83.08613	18.6
85.06540	13.1
88.07624	8.7
91.05486	67.3
93.07048	100.0
95.04959	17.7
95.08611	46.7
97.06532	10.3
97.10175	6.8
98.23498	4.4
99.08119	6.3
105.04507	5.1
105.07030	65.8
107.08593	52.7
109.06519	9.0
109.10159	9.7
111.08073	8.0
115.05443	5.0
117.07029	22.0
119.08582	80.9
121.10147	35.6
123.08057	7.5
125.09636	6.9
129.07007	14.1
131.08559	28.7
133.10136	33.0
135.08073	10.8
135.11716	10.6
143.08528	11.9
145.10147	29.2
147.08151	4.3
147.11751	27.6
149.09654	7.1
157.10107	12.7
159.11699	30.7
161.09616	5.2
161.13301	22.6
163.11157	10.6
169.10123	7.3
171.11722	8.0
173.13271	24.7
175.11171	4.8
175.14784	8.9
183.11696	12.9
185.13237	30.8
186.43756	4.6
197.13216	5.7
203.14366	20.1
219.17545	8.2
221.15425	5.5
229.15936	4.9
235.16925	13.4
239.17963	9.4
240.23259	13.0
249.18471	5.3
257.19113	9.9
275.20111	18.1
289.21576	25.6
298.27469	6.8
330.57968	5.3
342.29971	12.4
343.22598	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.5
55.01868	10.2
55.05519	40.0
57.03435	28.2
58.29349	2.6
59.05008	3.4
62.58529	2.6
67.05505	33.6
69.03413	4.1
69.07070	55.9
69.28532	9.1
69.28942	8.7
73.06540	4.0
76.10780	3.0
79.05499	55.5
79.05946	4.3
81.07058	51.7
83.04979	6.0
83.08633	28.8
85.06562	5.9
91.05481	38.0
93.07044	55.4
94.01998	3.3
95.04961	7.6
95.08610	32.6
97.06519	15.0
97.09583	4.9
97.10163	39.1
99.08056	4.0
101.82158	3.6
105.07035	43.2
107.04980	4.5
107.08595	78.5
107.89929	3.0
109.06525	9.4
109.10140	8.3
111.08058	7.9
117.07043	14.5
119.08567	46.9
121.10122	15.6
125.09621	42.8
129.07025	9.3
131.08575	15.5
133.10106	20.3
135.08075	10.5
135.11725	11.2
137.09657	6.0
143.08560	8.9
145.10115	25.2
147.11696	18.9
149.09601	16.3
149.13239	4.3
153.09103	4.8
157.10146	9.5
157.12244	5.3
159.11702	29.2
161.13293	20.4
163.11224	7.9
171.11679	3.8
173.13286	14.0
175.14864	4.7
177.12784	5.7
181.12263	4.2
185.13263	29.6
197.13295	4.2
201.16377	6.8
203.12793	44.1
203.14392	18.2
209.15434	5.7
219.17500	28.9
235.16890	28.3
239.17932	17.3
240.18443	3.4
240.23190	4.0
257.19016	31.1
275.20059	100.0
276.20282	7.6
289.21643	40.6
307.22717	28.8
342.30026	6.1
343.22589	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	342.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	35.5
57.03429	22.0
60.04540	5.1
65.04388	4.8
67.05513	61.5
69.03423	6.2
69.07071	32.2
69.52785	19.7
71.04992	7.4
79.05493	74.7
81.03417	6.5
81.07056	100.0
83.08629	20.6
85.02910	8.0
85.06568	7.9
91.05482	61.5
93.07047	82.3
95.04973	21.8
95.08611	51.6
97.06557	14.8
97.10187	23.1
98.97586	6.1
99.08130	7.0
105.07037	55.9
107.08602	53.7
109.06528	14.5
109.10151	26.8
111.08119	9.3
117.07053	15.3
119.08590	48.8
121.10149	40.3
123.08057	7.2
123.11724	15.6
125.09617	20.3
129.07005	10.6
131.08571	15.2
133.10165	27.8
135.08064	7.7
135.11681	9.2
137.09668	7.0
143.08563	5.7
145.10127	21.4
147.11700	46.0
149.09561	7.5
157.10153	9.8
159.11716	25.0
161.13298	13.4
163.11169	6.8
165.12752	25.8
173.11742	14.6
173.13264	12.2
183.11699	6.9
185.13316	14.3
197.15303	5.8
203.12781	12.9
203.14375	12.6
219.17451	10.6
229.19543	5.4
235.16931	15.5
239.17969	9.7
240.23279	10.9
241.27409	5.0
257.19022	12.6
264.53149	6.2
275.20038	82.8
289.21667	26.6
293.21078	6.3
307.22708	8.9
310.42282	4.4
313.06793	6.3
342.28391	10.2
342.33554	11.3
343.22437	6.9
363.46265	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	343.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69939	10.1
57.03444	17.3
69.03436	38.9
70.06626	10.6
72.08173	13.0
72.83211	9.7
77.35020	9.5
85.02914	100.0
97.02893	35.0
104.10779	10.5
112.89652	22.9
114.80392	12.2
114.89302	12.1
117.09153	37.8
127.03941	70.0
141.00108	10.3
145.04961	33.4
184.74878	10.7
196.87900	14.5
343.01959	24.6
343.19705	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	343.0804
Annotation	2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.03926	0.2
63.15154	0.1
65.03902	0.4
66.86139	0.1
67.01823	0.2
68.99776	0.2
70.06596	0.1
71.78895	0.1
72.08132	0.1
79.05440	0.1
81.03416	0.6
83.01340	0.1
85.02895	0.6
86.09662	0.1
89.03897	0.1
93.03377	0.3
93.07021	0.1
95.04951	0.1
97.02878	0.1
105.03348	0.3
107.01337	0.1
109.02853	0.7
117.03384	0.1
121.02869	1.0
124.05245	0.1
125.02367	0.2
125.05997	0.2
133.02843	0.4
138.03059	0.2
139.03926	0.1
147.04387	0.1
148.05215	0.2
149.01213	0.1
149.02319	1.4
149.05968	0.7
150.03047	0.2
151.03885	2.1
151.05045	0.2
153.01782	0.2
161.05962	0.1
165.01839	0.4
166.02551	0.1
167.03398	3.0
168.03818	0.1
175.03905	1.0
177.01804	1.5
177.05431	0.2
181.06482	0.2
183.02840	0.2
189.05478	0.1
193.04993	0.1
195.02882	2.9
201.05469	0.1
210.18672	0.1
213.03857	0.1
217.04871	0.1
218.05682	0.1
226.06201	0.3
229.04909	0.4
237.05350	0.1
241.08485	0.1
242.05804	0.1
243.06514	3.4
244.03592	0.2
244.06898	0.3
253.04916	0.4
254.05727	1.6
257.04489	0.8
257.07077	0.1
257.07727	0.1
259.06018	0.7
265.05249	0.1
269.08130	0.7
270.05136	0.4
271.06003	5.3
272.06601	1.0
277.07111	0.1
281.04407	0.1
282.05203	6.0
283.05649	0.5
285.07425	0.5
286.08255	0.6
296.06546	0.1
297.07544	4.9
298.04703	1.1
298.08099	0.3
299.05533	1.6
299.08817	0.1
300.06265	8.7
301.06763	0.6
310.04678	3.2
310.08301	0.1
311.05167	0.3
311.19644	0.1
313.03305	0.2
313.07043	3.5
314.07803	7.2
315.08475	0.7
325.03143	0.2
325.07007	2.6
325.10672	0.2
326.07303	0.1
328.05746	23.5
329.06091	1.7
343.08090	100.0
344.08426	7.0
349.06955	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	343.1027
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
62.29551	0.4
65.03943	3.5
67.05488	1.3
69.03079	0.7
69.03436	10.4
69.07039	0.5
71.45155	0.4
79.05476	0.4
82.04188	1.0
85.02920	3.1
91.65688	0.3
93.03394	1.0
95.04993	0.7
97.02881	1.2
97.06517	1.1
98.97587	0.6
105.03412	0.5
108.02065	0.5
110.03649	1.7
111.04395	0.6
114.46224	0.4
125.05987	1.0
127.03909	4.1
138.03134	1.0
140.04677	1.4
153.05484	2.8
171.06564	4.4
177.05508	0.5
181.04962	100.0
182.05309	3.6
199.05923	0.8
207.06560	0.6
214.31848	0.5
235.06049	0.8
265.07086	1.2
286.04004	0.4
325.09183	1.1
343.10101	1.5
343.13675	13.8
344.13968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99778	1.2
56.96571	1.6
69.03421	2.1
70.06594	1.6
70.41726	2.0
81.03446	1.3
85.02911	3.9
91.05482	3.9
93.07088	1.5
95.04993	1.3
100.11259	5.1
107.88421	1.1
116.04954	1.3
116.07104	2.1
116.98624	1.3
119.04913	1.7
121.06537	1.5
127.03916	1.4
131.08496	1.2
134.05991	2.0
135.04507	1.2
137.06017	1.8
147.04410	3.1
151.03819	1.6
162.05481	6.7
163.03911	1.7
163.07513	2.3
163.11226	1.7
164.07056	3.2
166.08672	1.6
177.05450	2.9
181.05002	2.4
181.08459	2.6
190.04997	5.1
252.10223	3.0
298.10721	3.4
315.73935	1.4
319.15375	2.1
325.11359	1.4
326.10013	8.6
343.14050	100.0
343.30417	2.8
344.13510	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1238
Annotation	Trehalose
Peak:m/z	Relative Intensity
53.03946	1.9
55.01868	9.9
57.03430	8.0
60.05661	2.0
61.02938	4.4
68.44147	1.7
69.03432	33.6
70.03919	3.5
70.04264	4.6
70.06602	4.2
71.04993	2.2
73.02926	5.2
79.56923	1.8
81.03424	5.1
84.52896	1.8
85.02906	100.0
86.03269	2.9
94.93012	2.3
97.02892	32.9
98.91968	3.0
99.04461	9.8
101.02392	4.5
105.03362	2.6
109.02889	9.3
112.89620	8.8
114.89413	3.2
115.04009	2.0
117.09128	3.5
118.09492	4.4
121.71661	1.9
127.03919	66.4
145.04950	48.4
146.05363	2.0
163.06026	7.3
164.09985	2.2
196.87825	3.6
208.97357	3.6
210.89365	3.3
237.61545	1.8
343.19901	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.9
57.03440	11.4
58.21208	2.1
58.56200	2.2
61.02923	7.0
69.03429	34.5
69.19362	14.1
70.06602	3.3
73.02931	5.5
76.17422	2.4
81.03444	4.7
85.02905	100.0
86.03284	2.5
92.44417	2.2
97.02892	35.3
99.04456	7.9
101.02394	6.4
109.02890	6.2
112.89603	3.5
115.03907	3.6
117.09122	3.5
127.03928	72.8
129.60327	2.7
134.67053	2.2
145.04964	50.3
163.06049	10.4
330.73801	2.5
343.19803	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03918	1.0
67.05532	1.2
69.03428	1.7
69.73129	1.1
70.06584	1.4
71.45268	0.9
75.14953	1.0
78.58096	1.0
81.07043	1.3
84.07348	1.1
85.02913	2.0
86.09713	1.1
91.05453	1.6
93.07064	1.2
97.06490	0.9
100.07612	1.6
105.03397	1.4
105.07047	2.1
107.08584	1.3
114.09178	1.2
121.06539	1.9
121.10224	1.0
125.36878	1.0
137.05992	3.1
145.10201	1.2
163.07516	2.1
163.11151	2.4
165.09111	3.8
181.08362	96.4
182.08730	4.2
185.04208	10.6
203.89027	1.0
214.04713	7.2
239.09567	1.3
282.08929	1.5
283.07602	1.2
284.08176	1.6
297.08795	2.3
298.10678	1.4
308.06064	1.3
311.06808	2.0
327.09329	2.3
343.09280	36.7
343.13565	100.0
343.16870	5.2
344.13586	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.7
55.01867	1.8
55.05503	2.0
55.90874	1.5
57.03452	2.2
57.04869	1.9
61.02925	4.1
64.45089	1.5
67.05498	2.1
69.03435	13.6
69.07078	2.2
69.11121	3.8
69.11540	8.4
72.36655	1.6
73.02927	2.5
79.05484	3.1
81.03410	4.8
81.07052	7.1
83.04974	6.4
85.02909	28.4
86.09691	3.6
87.10053	1.6
89.06046	2.4
91.03974	2.2
91.05477	4.0
93.07066	8.3
95.04972	19.3
95.08604	2.3
97.02907	9.2
97.06509	2.8
105.03387	1.9
105.07040	6.1
107.04964	1.9
107.08604	9.1
108.08924	2.3
109.02853	3.8
116.07083	1.6
117.03392	2.8
117.07012	3.7
119.08569	5.6
121.06538	3.2
121.10152	11.7
125.05989	9.7
127.03889	7.8
130.07829	3.0
135.11711	5.7
137.06000	2.6
145.02849	5.5
145.04971	7.4
145.10127	17.3
147.04457	5.5
149.06029	2.1
161.09633	2.9
163.11185	100.0
164.11546	3.0
177.05475	7.7
177.11203	1.8
181.08368	6.6
181.12254	14.5
183.10356	1.6
186.02232	1.6
248.12888	2.8
282.75397	1.7
302.47214	1.6
307.15637	1.8
343.09848	2.3
343.13449	13.0
343.17215	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	343.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01879	23.0
55.05513	81.0
55.08790	2.8
57.03441	14.8
59.04997	3.5
67.05507	49.7
69.03441	11.6
69.07068	27.0
69.72055	8.5
71.04995	8.5
79.05496	33.3
81.03432	8.2
81.07066	37.1
83.04987	20.1
83.08617	55.7
84.08961	2.5
85.02905	3.1
85.06552	6.8
91.05493	20.5
93.07056	28.8
95.04980	17.7
95.08634	18.4
97.02898	5.6
97.06541	13.9
97.10178	100.0
98.23322	3.8
101.09698	3.2
105.03404	3.2
105.07050	16.0
107.04961	8.9
107.08596	42.3
109.02904	2.6
109.06502	18.9
109.10177	24.9
111.04472	6.0
111.08092	7.4
113.06025	4.1
115.07578	6.6
116.98657	2.9
117.07023	5.3
119.08606	17.3
121.06509	29.8
121.10176	9.9
123.08057	4.2
125.09633	75.2
129.07039	2.4
131.08601	9.3
133.10149	9.3
135.08052	15.4
135.11682	6.2
137.09616	49.8
138.09932	3.4
139.07539	40.7
143.08565	4.0
143.10754	4.7
145.10129	6.1
147.08066	3.6
147.11681	4.8
149.09608	3.0
153.09125	10.1
153.12755	4.5
155.10684	22.6
157.10141	3.2
159.08064	35.7
161.09669	3.4
163.07590	8.7
163.11180	7.5
169.10175	3.5
171.10165	5.0
175.11221	3.4
181.12198	5.6
185.09604	4.4
189.11220	87.5
191.10693	4.3
193.12273	6.8
198.38928	2.5
209.11748	2.7
211.13255	13.9
219.13840	3.2
223.13181	3.1
227.12831	8.6
233.15352	5.7
235.16937	26.8
237.14893	9.7
249.14961	3.7
251.16409	5.4
253.15836	6.5
253.18091	15.2
261.18497	5.8
271.16898	19.1
272.17346	4.6
273.18631	5.3
278.96783	2.9
289.18005	66.3
290.18326	5.8
291.19733	3.3
307.19061	47.8
325.20126	10.9
343.18988	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	343.2117
Annotation	2,3-Dkpgf1alpha
Peak:m/z	Relative Intensity
53.03954	9.8
54.00676	10.5
55.01868	28.5
55.05510	88.0
57.03428	45.1
60.62392	11.5
67.05512	91.3
69.03425	17.9
69.07072	65.3
69.36070	40.3
71.04990	33.3
71.47332	11.5
74.00921	10.9
79.05505	83.5
81.03410	67.6
81.07053	100.0
83.04986	23.5
83.08608	68.1
85.06530	19.9
89.06034	13.6
91.05465	66.3
93.07043	88.4
95.04961	47.6
95.08601	66.2
97.06523	54.4
97.10165	77.1
98.22652	20.3
98.97590	11.7
103.02763	11.1
105.03408	19.4
105.07053	51.0
107.04977	33.3
107.08600	69.9
109.06518	93.9
109.10146	32.4
113.06016	19.4
115.07569	34.3
117.07042	19.2
119.08605	64.4
121.06492	56.1
121.10133	33.5
123.08049	53.6
125.05974	14.1
125.09633	58.1
129.06931	17.1
131.08591	36.5
133.10109	28.4
135.08014	28.2
137.09608	54.2
139.07584	30.1
139.11163	20.1
145.10155	36.4
147.08051	42.1
147.11665	21.1
149.09624	27.3
153.09122	20.1
155.10735	12.0
157.10066	18.6
159.08044	72.8
161.09676	24.1
163.07539	15.0
163.11153	50.5
171.11723	12.5
173.09584	12.0
175.11198	25.2
185.09433	12.4
185.11742	17.3
189.11247	62.1
193.12192	25.9
202.57391	10.6
211.13280	69.6
233.15422	31.0
235.16933	18.2
251.16249	25.3
271.16928	25.3
273.18552	70.0
289.17935	98.5
291.19522	23.5
307.18970	61.6
309.20584	14.8
325.20093	24.7
343.11856	14.5
343.18958	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10040	1.1
69.75253	3.0
78.48515	1.1
95.08635	1.5
98.22715	1.1
101.84534	1.1
109.10110	1.1
109.58425	1.0
125.64735	1.1
130.27164	1.1
187.68495	1.1
240.23216	4.6
325.21378	5.1
343.22452	100.0
344.22726	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03942	2.0
55.01871	3.6
55.05510	11.4
55.72799	1.1
57.03427	5.5
57.07072	5.9
59.05006	3.1
65.03922	2.2
67.05502	16.5
69.03430	6.5
69.07063	5.0
70.15639	2.5
70.15966	1.6
71.04990	15.8
79.05496	18.0
81.03394	1.7
81.07060	18.0
83.04968	5.3
83.08613	3.4
85.06561	3.6
87.04487	1.7
91.05480	21.8
93.06449	2.3
93.07042	48.8
94.22953	1.1
95.04972	39.7
95.08609	48.9
96.05350	1.3
97.06530	14.4
105.07030	51.9
107.04969	1.8
107.08595	36.8
109.06532	11.8
109.10170	3.8
111.08101	2.5
115.05455	4.1
117.07017	19.4
119.08579	20.2
119.32655	1.2
121.06517	12.5
121.10143	12.2
123.08067	21.0
125.05991	1.7
129.07025	5.2
130.07809	11.0
131.08600	5.9
133.06514	5.8
133.10139	10.2
135.08061	17.7
135.11678	12.7
137.05977	3.3
137.09627	4.2
139.11240	1.3
142.07759	3.4
143.08548	8.9
145.06488	1.6
145.10126	61.7
146.10495	2.3
147.08047	9.0
147.11711	3.1
149.09656	4.4
151.07538	36.7
152.07903	1.9
153.09149	3.4
155.08554	2.6
156.09348	3.3
157.10165	6.8
158.10831	1.3
159.08099	1.6
159.11646	6.0
161.09543	6.3
161.13261	3.3
163.11191	49.6
164.11539	1.8
165.09114	12.7
169.04590	1.5
169.10109	3.4
171.11719	4.6
173.09653	2.8
173.13275	2.2
175.11201	4.2
177.09123	4.6
179.07054	3.8
179.10686	1.7
181.10204	1.5
181.12277	2.4
183.11655	2.9
185.13219	2.5
187.11125	1.9
187.14888	1.5
189.09161	2.0
189.12778	7.9
191.14453	2.0
193.10298	1.5
195.11765	3.1
197.11589	1.7
197.13261	4.2
199.11137	1.6
199.14917	1.3
201.12769	1.4
203.14317	8.0
207.10152	2.4
207.12013	1.9
207.13731	6.1
209.13486	1.6
209.15434	3.7
215.14355	2.6
217.12263	1.6
221.15367	26.9
222.15829	1.7
223.14893	1.7
225.16479	1.5
227.14301	2.7
233.15408	5.6
240.23187	3.4
247.16966	1.9
251.14450	1.7
259.17078	2.0
263.16415	5.9
267.17380	1.7
269.15320	5.4
274.19223	2.1
286.19238	4.3
287.16422	2.8
299.20093	1.6
307.20493	3.0
325.21655	13.3
326.22073	1.7
343.22675	100.0
344.23065	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	3.9
55.01865	6.7
55.05513	19.6
56.53262	1.8
57.03426	11.1
57.07075	13.7
59.04998	9.5
67.05161	2.5
67.05502	38.0
69.03426	10.0
69.07051	8.5
69.80871	7.0
71.04995	19.4
71.08619	2.9
79.05494	31.9
81.03413	6.7
81.07053	36.6
83.04967	7.6
84.16436	2.0
85.06541	4.4
85.93943	1.9
91.05486	42.5
93.07046	85.7
95.04970	61.9
95.08604	100.0
95.09218	4.8
97.06541	15.9
103.05485	3.4
105.03397	3.4
105.04545	3.8
105.07031	92.2
107.04933	4.2
107.07924	3.7
107.08596	54.1
109.06520	17.6
109.10146	8.4
115.05449	10.4
117.07023	34.0
118.07298	2.7
119.08593	31.5
121.06513	14.7
121.10124	16.0
122.07272	4.0
123.07238	3.5
123.08064	33.3
128.06219	3.7
129.07019	9.9
130.07771	18.4
131.08569	11.4
131.27101	2.0
133.06487	6.3
133.10130	15.6
135.08055	26.8
135.11694	14.5
137.05949	2.8
137.09566	5.1
142.07773	3.3
143.08533	12.0
145.06459	3.2
145.10118	81.1
146.10420	2.7
147.08049	13.4
147.11697	6.0
149.09612	8.1
151.07549	43.1
155.08537	2.9
156.09346	3.1
157.10098	8.1
159.11665	7.2
161.09561	7.5
161.13190	4.2
163.07500	2.6
163.11172	54.1
163.31236	2.0
165.09119	18.9
169.10176	4.3
170.10869	2.9
171.11641	5.4
173.09622	5.0
173.13310	2.6
175.11168	5.6
177.09117	4.4
179.06949	2.6
179.08472	2.0
181.10071	3.2
183.11627	4.2
185.13234	3.0
187.11241	4.0
189.12712	9.0
191.14360	3.7
193.12241	19.7
195.11633	3.9
197.13397	2.1
199.35110	2.1
201.12830	2.3
203.14319	6.7
207.12015	2.3
207.13881	5.7
209.13316	2.7
209.15152	2.8
213.12616	2.0
221.15358	23.7
233.15341	2.1
240.23218	5.9
263.16418	6.4
269.15256	2.3
278.96964	2.5
281.67630	2.5
282.27808	3.0
286.19269	2.4
287.16446	3.3
291.19522	6.8
307.20517	2.6
325.21762	10.5
343.11972	3.5
343.18784	9.3
343.22629	96.3
343.33475	2.9
344.22955	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	343.2268
Annotation	Longithorol D
Peak:m/z	Relative Intensity
50.09813	1.6
53.03927	1.8
53.33749	1.3
55.01865	3.3
55.05505	8.7
57.03427	5.4
57.07072	2.6
59.04987	1.3
59.83958	1.5
65.03301	1.6
67.05504	12.7
69.03419	5.4
69.07043	4.2
70.16388	4.1
70.42852	1.3
71.04992	10.6
73.17355	1.4
73.25784	1.5
79.05498	10.9
81.07057	14.1
83.04950	3.0
83.08620	1.9
85.06544	2.2
87.04491	1.7
87.26729	1.5
91.05478	14.8
93.07045	35.7
95.04967	28.9
95.08599	41.7
95.63632	1.5
97.06524	8.7
98.97624	1.4
104.10259	1.4
105.07029	37.5
106.07367	1.7
107.08581	26.8
109.06503	11.4
109.10146	3.7
114.96330	1.5
115.05465	3.4
117.07023	15.0
119.08595	12.2
121.06521	6.8
121.10138	10.2
123.08081	14.7
125.06025	1.7
129.07057	2.0
130.07788	7.1
131.08540	4.6
133.06500	4.0
133.10135	10.2
135.08066	15.7
135.11682	10.9
137.05978	2.5
137.09608	4.0
143.08571	5.7
145.06546	2.6
145.10114	51.9
147.08049	8.6
147.11676	4.4
149.09625	3.9
151.07535	28.1
153.09094	2.6
155.08534	2.0
156.09367	1.6
157.10164	5.5
159.08025	3.2
159.11714	4.6
161.09624	5.3
161.13231	2.5
163.07529	2.8
163.11188	50.6
164.11478	2.9
165.09128	10.4
169.10083	2.5
171.11679	2.6
173.09637	3.8
173.13231	2.5
177.09059	2.6
179.07007	4.0
181.12308	2.2
189.12750	4.6
191.14278	2.5
193.10182	1.8
195.11815	1.7
197.13342	3.6
203.14330	6.7
207.13753	3.2
209.15387	4.2
215.14172	3.4
217.12256	2.1
221.15344	21.7
223.14879	2.6
227.14397	2.1
233.15355	3.1
240.23288	3.8
241.16048	2.2
245.15421	1.7
259.16882	2.3
263.16452	5.6
269.15430	3.4
286.19257	2.6
287.19943	2.3
325.21487	8.7
335.56940	1.7
343.22665	100.0
344.23022	9.0
344.31332	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03937	1.7
55.01870	2.3
55.05507	7.3
57.03432	3.7
57.07086	4.3
59.04990	2.7
63.39687	0.7
64.57756	0.8
67.05498	9.8
69.03439	4.6
69.07070	3.3
69.29449	0.7
69.51031	3.4
71.04989	9.3
79.05501	10.6
81.03425	1.4
81.07058	12.8
83.04974	2.5
83.08627	1.8
85.06537	1.6
85.41150	0.8
91.05480	15.0
93.07046	32.2
95.04970	27.7
95.08605	34.5
97.06527	6.9
98.22742	1.6
101.74079	0.7
103.05479	0.9
105.04532	1.1
105.07035	32.5
106.07363	0.9
107.04958	2.1
107.07921	1.5
107.08598	22.0
108.05743	0.8
109.06525	9.2
109.10155	2.6
109.65807	0.8
111.08081	1.9
115.05417	3.9
115.07588	1.6
117.07026	13.4
119.08601	12.4
121.06519	7.6
121.10148	9.6
122.07244	1.0
123.08067	12.5
125.05998	1.6
128.06215	1.1
129.06989	3.0
130.07788	6.0
131.08606	5.2
133.06465	1.9
133.10135	9.1
135.08044	14.5
135.11687	8.5
137.05954	1.2
137.09644	2.7
138.90652	1.0
139.07588	1.0
141.07062	1.1
142.07787	1.3
143.08586	5.5
145.06488	1.6
145.10126	40.7
146.10484	1.5
147.08041	7.3
147.11691	3.5
148.01617	0.9
149.09596	3.4
151.07545	27.4
152.07916	1.4
153.09137	2.4
155.10742	1.7
156.09378	0.9
157.10097	6.3
159.08022	1.9
159.11685	4.9
161.09563	4.2
161.13275	2.2
163.07506	1.6
163.11186	41.8
164.11545	2.4
164.43726	0.8
165.09108	10.1
169.10112	1.5
171.11681	2.8
173.09596	2.0
173.13249	2.6
175.11211	3.6
177.09126	3.4
179.07024	2.7
179.08505	0.7
179.10597	1.1
181.10132	1.1
181.12234	2.6
182.10811	0.9
183.11716	2.0
185.13271	1.7
187.11192	3.7
187.14848	1.1
189.09081	1.4
189.12762	5.1
191.10612	1.2
191.14290	2.8
193.12254	0.9
195.11729	1.0
197.13287	1.9
199.11183	1.4
199.14803	1.0
201.12868	1.3
203.14296	5.4
207.09952	1.3
207.11867	1.5
207.13742	4.8
209.13475	1.5
209.15390	3.7
213.12729	1.9
215.14320	2.8
217.12181	1.6
221.13220	1.5
221.15359	25.3
222.15735	1.4
223.14848	1.2
225.12689	1.4
225.16339	1.0
227.14317	1.3
233.15378	3.3
240.23248	1.0
241.15810	1.0
243.13858	1.5
245.15305	1.0
247.16795	1.1
251.16620	1.2
259.16852	1.1
263.16351	5.5
269.15436	4.0
285.18680	1.0
286.19299	3.4
287.16431	2.4
287.20078	2.2
307.20786	1.0
308.19327	0.8
325.21564	10.3
343.22675	100.0
344.22971	8.8
344.31683	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05506	2.0
56.56540	1.2
60.04516	1.4
61.51604	1.0
67.05508	21.2
69.07069	9.1
69.15418	1.1
71.05000	5.2
71.08618	1.2
78.80408	1.1
79.05495	1.1
80.40229	1.0
81.07047	7.0
83.08657	2.0
85.06545	3.9
91.05486	5.2
93.07053	4.8
95.04977	16.8
95.08630	4.8
96.02419	1.2
98.51378	1.1
105.03403	1.4
105.07028	5.3
107.08593	5.9
108.56310	1.2
109.06541	1.4
109.10162	100.0
110.10487	2.6
111.08084	1.3
115.05457	1.4
117.07027	5.2
119.08578	3.6
121.10136	2.2
124.86131	1.0
125.09684	1.4
127.11201	13.1
129.06961	1.7
130.49861	1.2
131.08578	3.1
133.08612	1.6
135.08058	5.0
143.08524	1.7
143.42683	1.2
145.10107	7.5
163.11220	2.0
165.65709	1.2
169.10133	9.5
171.11606	1.3
173.09647	3.4
187.11104	1.6
199.11310	1.3
221.15408	4.5
240.23132	5.6
273.18536	9.0
325.21484	1.9
343.12643	1.5
343.22586	11.0
344.31494	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.7
66.07405	0.8
67.05512	15.7
69.07078	7.0
70.40274	0.7
70.94585	0.7
71.05003	4.2
79.05494	3.8
81.07059	5.4
85.06522	1.9
91.05479	2.8
93.07060	4.5
95.04979	9.1
95.08634	5.4
105.07047	5.3
107.08601	4.2
109.06503	1.1
109.10165	100.0
110.10501	3.3
115.05474	1.0
117.07011	2.6
119.08582	1.9
121.10152	2.9
127.11196	13.0
131.01477	0.8
131.08568	1.7
135.08086	3.6
137.09631	3.5
141.24770	0.8
143.08543	2.2
145.10179	4.1
157.10130	2.0
159.11723	2.3
163.11194	1.8
165.09055	0.9
169.10130	2.4
171.11661	1.1
173.09694	1.6
173.13286	0.9
187.11223	2.0
199.11250	1.0
213.88127	1.0
221.15373	3.3
240.23224	2.7
251.14236	0.9
273.18481	1.9
278.96713	1.0
311.20206	0.9
325.21466	1.1
343.11722	1.1
343.25101	14.2
344.25464	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	28.2
57.07080	23.2
58.99571	3.2
62.06084	6.7
62.99073	52.3
67.05504	40.4
69.07061	19.6
69.54835	3.0
71.08627	13.5
72.08142	3.3
73.01154	4.9
73.08804	2.7
79.05493	23.0
81.06576	4.1
81.07056	64.9
81.07507	5.7
83.04979	4.1
83.08629	20.7
85.01122	5.6
85.06559	4.5
85.10188	2.9
87.02700	8.8
91.05495	12.0
93.07043	28.7
95.04952	3.2
95.08610	34.3
97.01121	13.0
97.06530	5.2
97.10192	5.7
99.02682	6.3
99.08076	3.0
105.03400	4.6
105.07044	14.2
107.08646	14.9
109.06475	4.1
109.10128	14.2
111.02662	8.7
111.08086	4.7
115.05807	17.4
119.08566	14.4
121.06466	3.3
121.10134	16.5
123.11680	6.2
131.08583	5.6
133.06825	47.5
133.10141	5.6
135.11732	11.4
137.13254	4.1
145.10126	3.0
147.11722	4.5
149.13249	8.2
155.08940	4.0
159.11752	4.2
161.13284	13.1
163.07573	5.2
163.14735	3.8
173.13284	5.2
174.18541	4.9
179.14302	8.1
205.54204	3.6
214.07892	2.9
218.96541	3.2
240.23239	15.4
259.20544	3.7
277.21570	3.5
278.96896	3.1
286.31052	4.9
291.23080	6.4
293.19388	16.9
293.24634	7.1
294.21509	9.2
311.20410	12.8
313.06940	3.9
325.21893	5.2
342.37314	100.0
343.11493	3.9
343.18698	4.0
343.22458	13.2
343.37640	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	20.6
55.05510	37.7
57.07067	15.7
58.99586	4.0
60.58546	4.5
60.63660	3.6
62.06094	5.6
62.99075	20.6
65.03943	4.8
67.05505	100.0
67.37215	3.9
68.05836	4.4
69.07064	38.8
71.05000	7.1
71.08627	9.0
73.01138	6.8
77.00629	8.9
79.05496	46.8
81.07055	83.0
83.08611	21.9
85.01120	16.3
85.06554	9.7
86.51150	3.7
86.57652	4.3
87.02700	25.6
91.05477	46.9
92.43386	4.6
93.07043	73.7
95.04965	8.7
95.08605	52.9
97.01127	34.4
97.06538	8.9
97.10166	12.4
97.69278	3.4
98.23508	7.4
99.02685	10.0
101.04269	4.1
105.03362	4.7
105.07036	20.7
107.08597	47.3
109.06493	4.2
109.10172	53.3
110.10567	3.5
111.02651	12.8
111.08092	4.3
113.04232	9.1
117.07032	12.5
119.08563	13.2
121.10136	16.8
123.02637	4.8
123.11700	7.8
125.04215	10.6
125.05130	3.9
125.09627	13.0
125.76766	3.7
126.09950	9.1
131.06627	3.6
131.08562	6.6
133.10121	7.4
135.08038	34.3
135.11699	9.7
137.09633	5.1
137.13303	6.9
141.07295	28.8
145.10149	6.7
147.11690	9.3
149.13292	3.8
151.05782	28.5
151.11206	4.6
155.08873	13.8
157.10478	3.9
159.08374	16.6
161.13228	9.0
163.11168	4.6
169.06844	27.7
169.10472	4.8
171.11671	4.4
174.18506	4.5
175.14798	4.7
181.10428	11.0
187.07808	24.2
201.09462	6.9
205.08958	53.6
209.11563	4.0
215.17719	3.9
219.10480	7.8
240.23225	24.8
293.19315	17.2
293.24503	7.2
311.20441	23.2
311.23550	4.7
313.07086	5.1
325.22034	6.5
342.37225	55.2
343.12250	8.0
343.18753	77.6
343.22675	18.3
343.26578	4.4
343.37637	63.5
344.19003	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2381
Annotation	N-Methyldihydroquinicinol
Peak:m/z	Relative Intensity
52.93385	0.2
63.02375	0.7
65.03939	2.8
69.07068	2.2
69.27380	0.6
69.27782	0.6
71.08629	2.3
72.08161	0.7
75.02371	0.9
81.07038	0.2
81.11195	0.2
84.08157	0.4
86.09705	40.1
87.10020	0.8
89.03917	11.3
91.05486	0.7
95.08601	0.2
99.08088	1.5
103.12349	2.1
105.21577	0.2
112.07606	0.6
114.04716	0.4
115.05453	36.4
116.05754	1.1
116.10639	0.3
117.07037	0.7
128.10728	0.3
129.10237	2.6
143.04916	100.0
144.05254	3.9
145.06494	2.0
160.07581	0.9
183.18509	0.2
184.16971	5.8
188.08427	0.2
199.18076	0.2
201.18173	0.1
201.19606	6.1
214.12277	0.9
227.17514	2.8
228.13834	11.5
229.14212	0.6
230.15353	0.3
231.14912	0.7
240.23137	0.5
245.16492	32.9
246.16785	1.6
247.18102	0.6
262.20947	0.3
325.22720	0.9
338.96988	0.2
343.23785	24.3
344.24133	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	344.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.4
57.03420	1.3
61.02919	1.5
65.87756	0.3
69.03423	2.5
69.38818	1.5
70.06580	1.2
71.04978	0.5
71.39516	0.3
72.08149	0.6
73.02911	0.5
76.74149	0.3
81.03413	1.4
85.02903	16.7
86.09702	1.5
87.04471	0.6
89.06029	5.3
90.29656	0.4
91.03955	0.8
91.05472	4.3
97.02892	3.3
99.04446	1.2
101.80859	0.4
109.02859	1.4
110.62472	0.4
116.07098	2.4
119.04942	16.0
120.05264	0.8
123.04424	2.9
127.03912	3.0
133.08603	2.9
145.04958	4.3
147.04404	100.0
148.04752	3.8
163.06049	0.6
165.05473	54.7
166.05798	1.5
177.11263	0.6
180.08714	1.7
182.08122	0.7
189.05450	0.4
201.12338	1.0
327.20123	1.6
327.49921	0.4
344.09335	0.7
344.13571	1.1
347.04929	0.3
351.50525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	51.0
61.02931	1.6
69.03426	2.3
69.65210	1.2
77.06039	2.6
81.03425	0.9
85.02911	12.4
89.05529	1.1
89.06040	14.6
97.02898	3.2
97.20024	0.6
98.16599	0.6
98.22749	1.2
99.04472	1.0
103.07588	54.5
104.99258	1.1
109.02898	1.3
117.01820	0.6
117.09143	1.8
119.09624	0.8
119.91078	0.6
120.52218	0.7
127.03909	2.0
133.08621	8.2
141.56676	0.6
145.05013	1.5
147.04428	0.8
165.11238	100.0
166.11635	2.3
344.13736	0.9
345.09250	1.2
345.15131	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38148	3.4
63.89540	3.6
67.05508	17.2
69.30177	15.0
71.04986	4.2
79.05492	14.3
81.07053	17.1
89.06024	4.7
91.05481	9.4
93.07043	19.3
95.05015	3.8
95.08615	12.1
96.87659	3.2
98.22692	6.7
104.99272	100.0
105.07040	9.6
107.08604	11.5
109.10151	4.1
117.07026	4.2
121.10133	8.2
133.10110	6.4
135.08075	3.6
135.11719	8.4
145.10146	6.8
147.11711	5.1
179.10751	4.7
240.23250	4.5
241.23589	6.5
255.17450	10.1
262.98151	84.1
263.20053	12.4
273.18552	22.5
291.19537	38.6
301.17401	3.9
309.20612	15.5
344.22812	4.8
344.31613	7.6
345.16656	15.8
363.14853	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	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
55.05510	9.1
63.80827	0.8
67.05500	9.2
69.07059	2.1
70.02827	0.7
71.04980	1.1
71.08637	9.7
79.05495	7.2
81.07053	6.4
83.08633	4.9
88.32272	0.8
91.05490	3.0
93.07041	6.3
93.33617	0.8
95.04977	1.8
95.08602	2.2
97.10165	9.3
99.08083	6.9
99.08527	0.6
104.99290	10.3
104.99987	1.2
105.07072	1.7
107.08582	8.2
109.02876	1.8
109.10152	5.0
111.08091	1.4
117.07043	1.2
121.10155	1.0
125.09618	8.7
135.08061	4.5
137.06003	1.5
145.10081	1.3
149.09740	1.3
151.11189	4.6
153.09093	5.0
154.87697	0.8
155.10631	1.2
165.09114	39.6
165.12830	1.1
166.09515	1.9
171.10182	7.7
175.11189	0.9
177.12793	2.1
189.11200	9.8
191.14162	0.9
193.12251	14.9
193.13951	1.1
198.03226	0.9
203.14212	0.9
205.15892	1.1
245.19037	4.5
262.98129	7.9
263.20087	2.2
273.18546	3.1
277.17987	1.4
291.19540	100.0
292.19934	5.6
309.20557	5.2
345.20398	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83722	3.9
54.40066	3.5
55.05506	9.3
55.66089	3.3
57.01096	3.4
57.03435	11.7
67.05506	28.7
69.03428	6.7
69.07072	28.8
70.58002	5.1
71.04986	7.0
73.50242	4.2
79.05492	24.4
81.03423	17.6
81.07062	24.6
83.04993	6.8
83.08609	5.7
89.06047	4.0
91.05474	13.2
93.07041	19.4
95.04977	19.8
95.08606	15.3
97.06535	100.0
104.99270	86.6
105.07045	13.5
107.04994	6.0
107.08548	9.7
109.06539	9.8
109.10176	5.3
115.07581	22.1
119.08590	7.0
121.10163	7.3
129.06990	5.5
131.08578	12.1
133.08594	6.1
133.10132	10.7
135.08067	4.2
135.11708	5.5
145.10129	4.7
147.11673	6.4
149.09616	7.0
157.10187	4.0
159.11728	6.1
182.31151	3.2
195.13800	6.5
208.92577	3.8
262.98157	64.2
265.27328	4.0
273.18448	6.2
291.19400	6.4
327.20383	4.8
335.46097	4.6
345.20404	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	344.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.7
55.01865	7.0
55.05511	23.2
57.03435	38.7
57.07052	3.7
65.03914	4.3
67.05503	100.0
69.03415	7.2
69.07062	21.1
69.85075	10.3
71.04997	23.9
79.05490	54.7
81.03416	19.9
81.03816	3.6
81.07053	64.8
83.04976	38.9
83.08606	11.2
85.06541	8.5
91.05470	33.0
93.07043	67.0
95.04965	38.3
95.08601	74.5
97.06519	13.5
97.10121	5.1
99.08107	4.6
104.99268	43.9
105.07028	25.1
107.04943	6.5
107.08594	36.9
109.06512	34.3
109.10149	64.7
111.04437	4.8
111.08070	12.0
113.05988	3.4
117.07007	9.7
119.08569	33.8
121.06544	5.5
121.10161	15.4
123.08070	22.2
123.11702	4.0
125.09620	7.0
127.84996	2.7
129.06996	8.3
131.08560	15.0
133.10123	20.6
135.08052	12.6
135.11671	9.9
137.09608	36.9
141.09076	8.8
143.08553	5.6
145.10094	14.0
147.08034	5.1
147.11597	6.4
149.09566	6.9
149.13239	3.9
151.11176	6.9
153.09116	19.5
155.10640	42.0
157.10172	5.1
159.11684	7.5
161.09668	6.7
161.13300	4.6
165.09087	4.3
171.10228	3.5
171.11702	4.3
173.11726	23.7
173.13139	5.5
175.11147	7.3
177.12720	5.8
185.13165	4.1
189.11154	6.0
201.12766	3.5
207.13872	3.5
217.15898	7.1
219.13730	3.2
221.15387	5.6
227.17923	6.5
233.93207	3.0
245.18945	7.5
247.85370	4.0
251.16446	3.3
255.17467	4.9
256.14688	3.3
260.55557	2.7
262.98166	27.4
263.20059	42.1
273.18509	31.5
278.62479	2.9
291.19507	32.2
309.20566	28.1
316.73590	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45769	7.5
53.03950	10.5
53.11917	7.8
55.01880	12.2
55.05515	86.3
57.03445	34.3
65.03940	10.1
67.05508	91.8
69.03445	15.6
69.07076	65.4
70.53035	15.6
71.04996	17.0
79.05490	97.6
81.03413	45.5
81.07070	100.0
82.00613	8.5
82.06571	8.3
83.04994	32.3
83.08628	35.3
88.07644	14.0
89.28522	7.8
91.05488	54.8
93.07046	98.5
95.04965	40.7
95.08614	55.4
96.08134	10.0
96.73556	10.5
97.06505	37.8
97.10184	60.6
104.99268	61.2
105.07030	40.7
107.04937	10.7
107.08594	47.1
109.06528	48.4
109.10155	15.7
111.08137	13.0
113.05978	17.5
117.07030	17.4
119.08586	32.3
121.06560	12.7
121.10136	46.1
122.79998	7.7
123.08076	38.4
125.09615	44.8
129.07085	11.6
131.08578	20.1
133.10170	11.4
135.08072	14.2
135.11714	15.3
139.11252	10.2
143.08655	8.9
145.10132	18.4
147.08044	8.4
147.11630	13.4
149.09622	17.1
149.13199	10.4
153.09042	7.2
157.10188	8.7
159.08078	13.4
159.11755	13.5
163.11214	10.6
170.44536	8.8
176.12840	17.5
189.11237	54.6
193.12126	10.0
205.12192	8.4
205.87965	8.7
211.13202	9.7
217.15833	9.2
223.13329	33.1
231.37805	7.5
262.98114	42.4
273.18539	28.3
291.19412	52.0
308.22256	14.3
309.20493	14.9
326.23416	24.1
344.24344	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.5
55.05505	43.2
57.03433	57.3
59.05000	7.7
59.51093	4.8
66.36346	5.0
67.05505	100.0
69.03423	7.5
69.07078	27.6
69.48803	4.6
69.71534	20.2
71.04996	19.6
79.05495	64.4
81.03427	17.3
81.07056	76.9
83.04987	46.9
83.08621	25.9
83.62814	4.8
85.06562	11.2
89.05996	5.0
91.05503	46.6
93.07048	83.7
95.04961	23.6
95.08601	74.7
97.06530	15.3
97.10168	17.6
98.23400	6.2
104.99297	37.3
105.07037	34.5
107.04967	9.8
107.08599	55.5
109.06534	28.0
109.10134	49.6
111.08091	27.3
117.07016	13.3
119.08601	33.6
121.06515	7.5
121.10118	29.4
123.08072	55.0
125.09630	20.3
125.36175	4.8
129.07079	5.9
131.08571	17.0
133.10130	25.3
135.08076	16.1
135.11716	15.5
137.09650	19.4
143.08545	8.6
145.10147	14.6
149.09639	12.3
149.13268	5.3
151.11171	10.2
153.09128	25.0
155.10643	25.6
157.10103	11.7
159.11732	9.6
161.09688	7.7
161.13248	6.4
163.11201	9.1
165.09196	4.8
167.10732	7.6
173.11739	27.4
173.13185	9.7
175.11172	9.8
179.10805	8.9
181.12233	8.5
183.11728	6.6
185.13252	5.7
189.11273	8.4
193.12177	5.7
195.13785	5.2
199.14915	5.9
217.15892	12.2
219.13782	6.9
221.15308	5.8
234.93353	5.8
262.98172	30.7
263.19998	27.5
273.18475	36.5
291.19540	67.8
309.20532	44.1
344.12076	14.7
344.29651	11.2
345.13309	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	344.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.4
55.01855	15.0
55.05522	32.5
57.03436	14.3
67.05506	71.8
69.03425	11.3
69.07072	99.6
71.05003	51.1
72.69087	5.6
73.02916	8.4
79.05498	84.2
81.03425	45.2
81.07063	99.1
83.04979	9.1
83.08633	15.3
85.06528	10.6
91.05481	53.4
93.07052	72.1
95.04967	54.5
95.08607	47.1
97.06538	100.0
97.10142	13.4
98.22665	11.3
104.99277	61.3
105.04486	8.3
105.07054	40.6
107.04951	17.4
107.08590	42.1
109.06522	43.1
109.10195	16.7
111.08094	15.8
113.06005	8.8
115.07578	77.2
117.07054	24.7
119.08578	33.8
121.06528	11.0
121.10155	27.8
123.08057	19.8
125.09650	18.5
129.07033	13.5
129.36136	6.3
131.08562	29.3
133.10146	26.6
135.08070	14.2
135.11708	11.4
139.11267	6.7
145.10144	15.2
147.08047	8.0
147.11748	17.7
149.09686	16.8
149.13243	18.2
155.10742	6.2
157.10143	13.0
159.11722	27.9
161.09669	7.7
163.11235	8.3
171.11726	9.0
175.11191	17.9
193.12257	26.8
194.82816	6.3
195.13815	16.8
211.13318	18.6
221.15390	9.2
223.13327	10.3
224.95256	6.7
230.65802	6.0
262.98154	52.2
263.19983	8.8
273.18497	19.2
291.19641	15.4
292.00247	6.4
314.07321	6.7
344.12131	13.8
345.16586	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	344.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.6
55.05507	5.7
60.54594	2.2
67.05514	18.0
69.07061	7.6
79.05487	23.3
81.07058	18.8
83.08620	3.6
87.04473	2.5
89.06047	4.7
91.05489	16.9
93.07043	20.9
95.08620	12.8
97.10179	2.7
104.99273	48.5
105.07036	14.7
107.04943	3.9
107.08604	15.7
109.06519	3.0
109.10164	6.5
111.08047	3.7
117.06995	5.6
119.08576	12.8
121.06536	3.7
121.10142	12.7
123.08067	4.9
129.07019	3.9
131.08600	10.9
133.06519	3.0
133.08594	3.0
133.10123	12.0
135.08070	7.1
135.11723	8.6
137.09612	6.1
143.08600	8.4
145.10092	11.8
147.08070	6.4
147.11693	7.4
149.09700	3.1
149.13260	2.9
153.09019	2.3
157.10150	8.4
159.11688	5.2
161.09570	5.1
163.11180	34.4
165.09052	11.7
172.73123	2.6
175.11203	5.8
185.13397	2.8
227.17865	3.4
230.96259	2.4
237.16273	5.5
245.18982	4.6
249.18564	3.6
252.83182	2.6
255.17368	13.5
262.98160	39.6
263.20081	5.4
273.18497	100.0
274.18835	6.7
291.16284	4.1
291.19507	57.9
292.19919	4.6
309.20618	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	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75346	1.1
55.01851	2.5
55.05516	11.0
56.05038	10.1
57.03434	2.4
57.07077	11.1
58.10658	1.1
59.05005	1.6
64.25793	1.1
67.05505	27.2
68.05865	1.1
69.03415	2.3
69.07066	13.3
70.06593	2.5
71.05009	2.0
71.08640	6.3
74.06084	21.6
79.05490	13.2
81.03418	3.4
81.07055	23.0
83.04985	5.0
83.08630	6.9
85.06557	1.3
85.10184	2.1
88.07632	60.1
89.06034	2.1
91.05483	10.2
93.07045	18.4
95.04971	5.9
95.08614	13.2
97.06543	4.4
97.10176	4.0
98.22616	2.7
99.08094	4.2
102.05534	3.6
102.34862	1.1
104.99287	4.1
105.07031	7.4
106.08685	2.1
107.08594	10.6
109.10149	14.9
111.08082	2.1
117.07051	1.6
119.08574	9.3
120.06575	3.6
121.06487	1.4
121.10154	7.6
123.08096	1.9
123.11705	3.0
125.09653	4.0
129.06990	1.7
131.08554	2.4
133.08566	1.8
133.10153	5.4
135.08046	1.5
135.11729	5.3
137.09612	1.1
137.13301	1.3
139.11151	6.6
140.14420	1.4
140.36319	1.3
143.08641	1.7
145.10056	2.0
147.11725	6.4
149.13301	4.0
151.11243	2.3
153.09100	1.5
155.10666	2.3
157.10098	1.8
159.11676	3.1
161.13339	2.5
165.12866	1.8
165.77040	1.1
173.11729	14.2
173.13109	2.2
173.36917	1.1
175.14828	2.5
187.13312	3.1
193.12256	5.3
195.13953	1.7
203.12852	3.0
217.19673	1.6
225.14893	1.6
231.21025	1.9
241.19673	2.4
241.23552	3.0
244.58318	1.3
259.20590	2.7
262.98184	4.6
277.21640	19.2
278.22043	1.4
283.26416	2.0
291.23102	3.9
298.31128	13.9
309.24332	5.1
326.30484	2.2
344.25446	2.7
344.31595	100.0
344.35223	8.4
345.32059	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	344.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61530	2.0
55.01880	3.2
55.05518	42.1
56.05040	3.0
57.03442	2.8
57.07070	3.0
59.04994	2.4
60.04532	5.9
66.79940	2.0
67.05511	22.3
69.03422	5.8
69.07068	10.8
71.08639	100.0
79.05498	23.3
81.03415	3.3
81.07063	23.4
83.04990	3.9
83.08629	26.2
88.07623	5.4
89.79934	2.1
91.05483	10.4
93.07050	22.9
95.04987	6.1
95.08613	12.3
97.06586	3.4
97.10173	52.5
99.08099	92.1
104.99290	2.1
105.07016	9.3
107.04975	2.7
107.08606	26.7
109.06505	2.9
109.10168	6.1
111.08115	6.5
116.10748	3.4
117.07038	5.2
119.08556	5.4
119.73812	1.9
121.06503	3.4
121.10144	9.7
123.11728	2.3
125.09643	52.5
126.12791	2.3
129.06981	3.0
133.10147	6.8
135.08058	12.0
135.11723	11.2
137.09590	2.4
139.07579	10.8
145.10124	7.5
147.11716	3.5
149.13264	4.4
151.11209	25.0
152.11552	2.7
153.09116	13.1
157.08698	4.1
157.12259	4.3
159.11696	2.9
161.13272	12.9
163.11177	13.5
163.14828	3.0
165.12648	2.0
171.10161	9.6
171.11607	3.7
175.14828	5.5
179.14337	8.1
189.12756	3.0
193.15887	5.0
203.12805	80.6
204.13159	3.4
212.16490	2.8
217.19531	3.0
221.15312	2.4
225.18523	4.3
231.21036	4.1
241.19508	11.0
259.20581	19.8
262.98038	3.0
277.21655	76.8
278.22000	6.2
282.28006	2.4
291.23193	30.9
300.29041	3.4
309.24228	35.4
310.24606	2.3
341.41074	1.9
345.20370	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	344.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25625	4.3
55.05511	20.2
57.07071	16.2
67.05504	64.9
69.03416	7.4
69.07066	25.6
69.10734	25.3
70.06590	9.6
71.04993	28.3
71.08636	13.0
73.06544	4.8
75.54324	4.1
79.05507	20.4
81.03416	10.2
81.07053	48.0
83.08635	13.3
85.06559	6.5
88.07619	35.3
89.06055	12.1
91.05463	22.0
93.07044	37.4
95.04967	10.8
95.08622	32.4
97.06541	13.6
97.10184	10.6
98.22709	14.0
101.37019	5.1
104.99268	100.0
104.99960	6.3
105.07044	13.8
106.08647	9.0
106.76055	4.4
107.08607	19.8
109.06563	7.3
109.10165	46.7
111.08060	6.3
114.17948	4.3
117.57223	4.8
119.08609	18.2
121.10167	17.8
130.42397	4.2
133.08553	5.8
133.10135	9.0
135.11711	11.6
137.09656	19.2
139.11143	6.0
145.10103	5.0
147.10483	9.9
147.11687	10.0
149.09714	5.7
155.10672	7.7
161.13264	13.9
163.14919	6.2
165.12851	5.1
169.12270	7.4
173.11768	21.2
173.13155	4.8
231.21259	6.8
241.19366	5.8
241.23778	6.9
249.22195	7.0
254.51616	5.8
259.20444	5.7
262.98157	77.5
277.21634	74.3
278.21954	5.9
283.26389	11.1
295.22708	45.3
309.24228	34.7
343.37747	17.8
344.11868	5.8
344.25867	12.3
344.33621	42.1
344.37769	44.0
345.32825	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	344.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05758	3.1
55.05507	6.5
57.07067	8.0
57.43257	3.1
67.05503	6.4
70.06595	3.3
70.62350	3.8
71.08622	5.7
79.05509	6.6
81.07064	15.3
82.44186	3.0
89.06041	4.0
91.05473	5.2
93.07037	5.8
95.08614	7.0
98.22797	3.5
99.08087	6.3
104.99274	100.0
107.08600	5.3
109.06551	3.4
109.10132	4.0
131.08600	3.3
132.75125	3.2
133.08578	3.5
153.80966	2.8
164.04936	3.4
179.10643	4.7
189.11296	4.6
193.12260	2.8
231.68929	3.0
242.90085	2.9
261.18256	6.7
262.98187	79.4
277.21503	14.9
291.19595	12.1
294.21359	3.6
295.22693	12.8
309.20593	5.0
344.31754	3.6
345.16980	3.8
345.24002	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20735	0.4
52.90855	0.4
55.05516	1.1
57.07078	7.9
60.04516	1.2
67.05492	1.8
68.05021	0.6
68.74002	0.5
69.07065	1.2
70.06591	27.0
71.08636	4.6
71.46326	0.5
78.31750	0.5
81.07058	2.2
83.08620	1.5
85.10178	2.0
88.07629	100.0
89.06023	1.2
89.07958	0.9
95.08588	1.8
97.10155	0.7
104.99266	6.9
106.08666	25.7
109.10126	1.1
165.12816	0.5
167.95346	0.5
262.98141	5.2
283.26318	29.3
284.26651	1.9
315.06186	0.5
317.89859	0.5
344.31589	54.1
344.34879	2.5
345.20291	1.4
345.31860	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	344.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27468	1.3
57.07064	5.8
58.55144	1.3
65.38050	1.3
69.07060	2.1
70.06588	18.6
71.08621	2.8
72.04510	7.5
81.07052	2.8
83.08622	1.9
85.10184	1.6
88.02221	4.6
88.07630	56.6
89.06017	2.4
95.08585	2.8
103.82577	1.2
104.99261	7.5
106.08665	100.0
107.69340	1.5
119.08595	1.4
133.08614	1.7
133.97385	1.3
178.86420	1.4
257.21289	1.6
262.98154	6.3
283.26291	14.0
326.30545	5.8
344.22513	2.6
344.27698	2.4
344.31592	22.8
345.27866	2.0
345.31689	2.0
350.30801	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
68.08262	1.4
72.08141	6.4
73.08497	1.9
76.44753	1.6
79.05493	2.0
81.07046	2.9
86.09701	10.4
87.10034	2.8
104.99259	5.0
105.03408	2.2
107.04904	1.8
121.06497	1.7
150.23610	1.8
161.02893	2.0
185.16504	4.2
186.16754	1.5
198.21951	1.5
213.15900	1.6
214.16345	2.1
262.98190	3.2
345.13086	100.0
345.18625	7.0
346.13406	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	345.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	4.5
67.05505	5.2
69.07083	7.9
69.35672	15.9
81.07042	7.6
84.08154	5.1
86.09718	17.3
88.07639	7.5
91.05484	5.3
93.07050	4.8
95.08603	6.5
104.99276	100.0
109.10132	4.9
125.98347	5.1
135.86008	4.7
172.22095	4.9
262.98184	67.6
345.18289	7.4
345.24020	36.1
346.33524	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	345.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	4.4
59.85213	0.7
60.05650	0.7
63.04314	0.7
69.07061	2.4
70.06587	2.9
72.08143	1.8
78.38665	0.7
81.04536	0.8
81.38740	0.7
82.99836	0.7
84.08139	1.5
86.09705	62.1
87.10040	1.7
97.06528	4.3
98.97581	1.7
101.00876	9.4
106.86083	0.7
112.02435	1.1
113.50199	0.6
118.03500	2.7
119.01920	31.6
120.02003	1.6
122.07162	2.6
130.03493	1.3
131.01900	2.5
132.10217	2.4
137.02963	5.7
142.07141	2.9
143.11797	1.1
144.05078	0.9
144.08675	4.2
145.03554	1.6
154.07156	1.9
155.05505	1.1
160.08168	5.0
162.09708	3.9
168.08681	3.3
169.53149	0.8
172.08189	15.4
173.03038	1.0
173.06602	1.6
173.08472	0.9
174.09821	0.9
177.00931	2.1
186.09753	28.7
186.99039	1.3
187.09894	2.1
189.01910	1.3
190.09225	3.8
190.95021	1.0
191.07681	2.1
196.08191	1.5
197.06599	2.0
198.09845	0.9
201.00946	2.1
204.10840	9.4
206.07109	1.0
207.11839	0.9
208.10321	2.2
208.95911	1.0
212.11296	1.3
214.09254	44.6
215.07610	1.7
215.09410	3.3
219.02025	5.1
220.02090	1.2
222.01707	0.8
224.07938	0.9
231.01965	1.0
232.10300	100.0
232.96298	2.6
233.10579	8.1
239.16058	2.1
240.10779	2.9
240.14366	1.6
243.01921	5.6
244.02223	0.9
244.10396	1.0
249.97119	0.8
250.97316	1.6
255.02072	4.7
255.11995	1.7
256.02158	0.8
256.97525	1.3
257.17142	3.5
258.11740	0.9
258.15466	1.2
260.99927	1.2
261.03055	3.8
262.03125	1.8
267.15543	2.2
273.03040	2.3
275.18134	4.9
284.09689	1.3
284.99789	3.8
285.03061	1.7
285.16571	16.0
286.17194	1.2
298.98502	1.9
301.07648	1.0
302.10895	1.0
303.00793	2.9
303.04147	1.2
303.17642	64.4
304.17780	6.7
321.18524	4.3
322.18744	0.9
326.19339	0.9
328.08673	1.5
345.01901	3.3
345.18768	1.0
345.22437	3.7
346.04633	5.0
346.09167	1.1
364.05670	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	1.4
58.06596	0.5
67.05508	0.6
68.85727	0.4
69.07065	0.6
69.71351	0.8
69.71695	1.0
70.06594	3.8
71.08638	1.0
71.18143	0.4
73.37066	0.4
88.07631	4.3
93.07061	0.6
95.04955	0.6
102.09164	2.4
104.99275	12.5
105.06974	0.6
107.08613	0.4
114.54329	0.4
117.63525	0.4
147.04192	1.4
165.09131	0.9
166.09460	0.5
194.12584	0.6
223.14769	0.4
261.10992	1.7
262.98145	10.1
263.98438	0.5
267.75348	0.5
276.13367	2.0
284.29489	7.9
292.19894	3.0
307.62936	0.4
328.32257	0.7
345.20349	100.0
346.20758	7.1
346.33136	18.9
346.37411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	2.6
65.03932	1.2
67.05478	0.8
67.83242	0.4
69.07074	2.4
69.57127	0.5
69.57468	1.8
70.06592	5.0
71.08623	3.6
85.10200	0.5
86.09710	59.2
87.10030	1.4
88.07632	6.9
89.03925	1.0
91.05483	22.7
99.08083	2.1
102.04686	2.0
102.09180	4.3
103.12350	3.1
112.07616	1.0
115.04639	0.6
115.05462	15.5
116.06299	2.9
117.07026	31.8
118.07321	1.0
129.10226	2.2
132.10147	0.4
145.06488	100.0
146.06822	3.1
162.09169	1.2
171.84030	0.5
184.16977	6.0
201.19624	8.0
201.21396	0.7
202.20087	0.5
202.93105	0.5
227.17612	3.5
230.15396	17.0
231.15826	1.0
234.82603	0.5
239.39304	0.4
247.18063	44.4
248.18433	2.6
284.26385	0.7
284.29489	13.3
284.32431	0.8
284.66629	0.5
311.72360	0.4
327.24271	0.7
328.32111	0.9
345.25378	33.3
346.25797	2.6
346.33148	31.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	19.7
57.07073	10.9
59.04996	6.0
62.55115	2.5
67.05512	26.2
69.03433	3.2
69.07066	48.7
71.04999	4.9
71.08630	4.4
79.05489	14.3
81.07061	100.0
82.07409	2.5
83.08627	21.4
85.06541	12.3
91.05488	5.8
93.07041	31.1
95.08017	4.9
95.08609	78.9
97.06524	7.9
97.10170	7.2
99.08106	8.9
99.35083	2.2
104.99281	38.0
105.07030	8.9
107.08600	26.7
107.14356	2.5
109.10178	32.9
111.08083	20.8
111.11726	12.6
111.44266	2.5
119.08604	6.5
121.10170	15.2
123.08114	2.6
123.11706	43.3
125.09738	2.6
125.13322	3.8
127.11224	3.2
131.04907	4.1
133.10136	7.1
135.11691	12.8
137.13248	31.5
147.11700	3.0
149.13258	32.5
150.09436	2.8
153.12773	12.7
155.14311	7.5
163.14838	5.9
165.12671	2.7
167.07027	3.2
167.14316	6.6
176.10704	6.0
191.06999	2.3
225.09189	3.1
229.51947	2.4
256.18457	2.5
262.98138	27.9
279.26868	4.3
291.26797	10.7
302.17529	9.6
309.27942	15.9
313.10745	10.4
327.28909	3.9
337.81848	2.9
345.13425	4.6
346.20511	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	346.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
56.05036	3.5
58.06613	1.9
60.04508	1.5
67.05511	1.3
69.63642	1.3
69.77048	4.8
69.77389	1.5
70.06269	1.4
72.08148	3.6
74.06084	12.4
74.23671	1.2
74.39789	1.4
79.05490	3.2
81.07064	3.2
84.04500	3.1
86.06055	1.9
86.09702	25.5
91.05482	17.7
93.07015	2.0
94.04174	1.4
95.08616	1.5
101.07150	7.4
103.05465	4.7
105.07034	1.4
107.04997	10.7
109.67847	1.3
119.04964	11.7
121.02849	4.3
121.06504	3.3
122.03641	2.4
123.04443	10.4
131.04948	4.8
132.10153	2.2
133.02859	13.3
133.10121	2.1
135.04399	18.4
136.05206	2.8
137.02341	5.8
137.05981	39.8
138.03188	2.8
142.12254	5.9
147.04407	23.1
149.02333	5.4
149.05986	7.7
150.03133	13.2
151.03867	1.9
151.06500	1.6
151.07535	8.1
152.06194	3.6
153.05463	19.5
154.02649	1.7
159.04428	4.6
160.05186	6.2
161.02344	8.9
161.05972	2.5
162.03114	7.7
163.03912	18.1
165.05516	2.3
165.06952	2.0
167.08534	10.9
176.84341	1.8
177.01888	2.1
177.05470	1.4
177.06950	3.8
179.07011	6.0
181.04990	16.5
181.06425	2.6
187.14409	26.7
191.03467	1.4
193.04980	3.6
195.08061	17.8
197.06032	1.5
205.06560	4.0
205.12273	3.0
207.12828	2.1
209.04459	4.0
213.05421	1.9
213.09038	3.3
215.13895	12.7
219.06500	2.9
223.07544	27.8
231.06258	1.7
233.05988	4.1
233.14983	2.5
239.07030	1.9
241.08598	21.2
242.08792	1.6
251.06979	14.2
252.07784	5.2
255.06461	3.5
268.07327	2.9
269.08087	34.0
270.08344	2.0
279.06433	7.0
283.09653	3.3
297.07584	95.0
298.07916	5.2
311.08963	1.8
325.20889	1.6
329.10187	100.0
330.10529	8.0
346.12759	10.7
346.25076	2.1
347.16742	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	346.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01865	2.9
55.24596	1.7
57.03444	3.6
61.02924	12.8
69.01643	1.7
69.03430	17.8
69.27978	8.4
69.64095	1.8
70.85135	1.6
71.04998	3.2
71.05592	2.0
73.02928	3.0
77.97805	2.0
78.04841	1.9
81.03426	8.9
84.08145	2.0
85.02909	100.0
86.09707	27.6
87.04478	3.9
91.03960	7.2
94.31811	2.0
97.02905	22.6
99.04454	3.8
104.99292	3.5
107.04961	74.4
109.02872	7.2
121.06535	3.1
122.16117	1.9
127.03915	23.8
131.41710	1.8
145.04950	36.4
149.05997	29.1
157.26360	1.9
162.07672	2.1
163.06010	5.9
167.07062	12.6
173.05980	3.0
180.08673	21.4
183.18729	1.8
184.09680	3.4
190.95471	1.8
199.18079	10.6
215.07013	8.9
227.17570	3.9
233.08095	7.5
257.08282	3.5
263.98187	3.3
275.09250	3.1
321.79300	1.7
346.15161	7.5
363.85107	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	346.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82118	8.5
55.01878	8.0
55.05509	51.6
57.03442	17.4
57.07089	11.4
67.05512	100.0
69.07076	26.1
69.35519	42.6
71.05010	10.5
73.02899	10.7
79.05486	54.7
81.03420	12.1
81.07069	73.7
83.04972	20.7
83.08628	24.3
85.06586	9.5
85.10194	14.4
91.05497	42.2
93.07048	54.5
95.04996	26.1
95.08614	81.5
97.06522	19.5
97.10175	14.0
104.99306	25.3
105.07046	30.0
107.04984	9.3
107.08624	35.5
109.06550	17.8
109.10147	51.5
113.09665	29.2
119.08604	30.6
121.10152	68.9
123.08111	10.6
125.08723	9.3
125.09650	33.1
131.08536	15.5
133.10152	31.9
135.11670	18.8
137.09598	19.6
137.79944	8.9
139.11169	21.5
140.73958	9.1
147.11743	10.6
149.09669	14.7
149.13309	10.6
151.11227	22.3
163.11269	17.6
166.17987	8.2
167.10674	15.6
173.11812	33.6
187.13274	15.4
191.10777	9.7
262.72269	9.7
263.98599	25.4
275.20020	15.7
293.21036	31.6
293.80246	10.3
300.88611	9.1
346.20432	15.1
347.18253	81.9
347.25757	11.0
350.25854	8.5
352.94769	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	34.5
57.03424	5.7
57.07079	6.0
65.03922	5.3
67.05506	94.5
68.96060	5.2
69.07079	25.3
69.12186	32.2
71.04971	5.0
73.68304	4.4
79.05501	40.0
81.06624	7.2
81.07058	87.7
82.07398	7.4
82.63482	4.6
83.04990	6.9
83.08625	26.5
91.05501	30.7
93.07047	45.1
95.04962	8.4
95.08609	39.7
97.06532	10.8
97.10162	29.7
103.23628	5.2
105.07029	21.3
107.08586	48.5
109.06513	12.5
109.10155	64.4
111.08069	5.5
117.07010	8.8
119.08595	25.9
121.06463	4.8
121.10148	20.3
123.11662	5.4
125.09605	24.0
131.08598	11.9
133.10104	23.6
134.10535	5.8
135.11703	13.6
137.09651	6.5
143.08510	5.9
145.10103	12.1
147.04369	11.1
147.11752	12.8
149.09628	15.3
149.13245	17.7
155.10608	26.1
157.10263	5.1
159.11703	19.3
163.11214	5.0
165.86702	5.1
173.11752	84.2
177.12885	6.8
189.11227	20.5
195.13795	69.8
196.14001	4.6
197.13370	5.7
198.25641	5.0
213.14848	43.1
254.12376	5.2
257.19043	15.6
275.20081	100.0
276.20456	10.3
293.21069	14.8
322.62704	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	11.9
55.05508	35.8
57.03442	38.1
57.07066	5.7
67.05502	97.5
69.03418	7.8
69.07071	26.0
70.89207	10.7
71.05009	7.4
74.57069	5.7
79.05493	96.7
81.03442	10.9
81.07056	100.0
83.04975	24.1
83.08621	13.2
85.06548	6.3
87.04479	10.7
90.59918	6.7
91.05501	31.5
91.05991	5.1
91.72453	5.4
93.07057	54.7
95.04964	12.7
95.08604	59.5
97.06538	11.2
97.10168	19.8
99.08093	7.8
101.06018	6.4
104.84405	5.2
104.99269	21.5
105.07032	24.4
105.99572	6.6
107.08588	67.1
109.06496	5.6
109.10164	41.5
110.86315	6.0
111.08064	8.5
115.03951	10.7
117.06994	8.5
119.08607	11.0
121.10151	19.7
123.11723	9.5
125.09631	58.6
133.10123	7.2
135.08081	23.2
135.11702	14.9
137.13269	6.1
139.11143	12.8
143.10695	19.2
145.10103	9.6
147.11716	5.4
149.13237	8.7
153.09154	10.9
157.12280	8.0
159.10184	15.0
171.10161	90.5
173.11743	25.4
173.13132	9.0
181.12238	8.4
189.11253	10.7
201.15511	5.0
258.39987	5.8
262.71384	5.9
263.98383	11.5
265.21667	20.8
273.18509	11.1
275.20084	9.2
293.21115	22.7
301.14020	18.4
311.22205	18.9
329.17377	7.2
346.17032	15.0
347.18393	96.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.8
55.01875	2.6
55.05510	15.3
57.03433	3.0
57.07080	1.6
59.05010	2.3
67.05504	57.8
68.05863	1.2
69.03414	1.8
69.07068	13.5
69.27460	4.0
69.27860	1.8
71.04990	2.3
79.05489	15.8
81.03423	2.7
81.07056	24.3
83.04993	3.5
83.08618	13.1
85.06550	2.7
91.05479	12.1
93.07052	13.0
95.04972	3.0
95.08607	16.7
97.06523	3.8
97.10166	16.1
98.22632	1.0
99.08061	1.1
101.39725	1.1
104.99267	1.2
105.07031	10.9
107.03281	1.0
107.04957	2.9
107.08591	23.5
109.06512	2.2
109.10155	57.3
110.10478	1.9
111.08077	2.9
117.07013	4.4
119.08568	9.8
121.06504	12.7
121.10145	4.4
123.08065	1.1
123.11707	2.1
125.09636	11.4
131.08588	3.7
133.10107	5.9
135.08055	2.0
135.11681	3.4
137.09663	4.7
139.11191	2.4
143.08624	1.2
145.10130	4.3
147.11673	4.8
149.09607	4.0
149.13254	2.9
151.11165	1.2
154.16171	1.0
155.10654	25.3
157.10080	1.3
159.11720	4.1
161.13298	2.1
163.11206	1.3
171.10139	2.2
173.11734	100.0
174.12083	3.1
177.12735	1.7
183.11739	1.1
189.11215	16.7
190.14374	1.7
192.10895	1.0
195.13750	7.0
197.13275	1.0
211.13138	1.1
213.14839	1.9
216.87288	1.0
223.13258	1.2
228.83269	0.9
239.17967	1.4
246.29665	0.9
247.20531	1.2
257.19043	5.1
258.11255	5.2
275.20065	33.4
276.20370	1.8
293.21057	7.7
347.18536	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	346.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.4
55.05507	15.3
57.03432	14.5
64.39066	3.4
67.05506	51.7
68.04436	3.4
69.07061	14.2
69.48092	16.8
71.05032	3.8
79.05492	52.5
81.07054	75.4
83.04984	7.7
83.08617	14.4
85.06528	5.7
87.04446	9.7
91.05476	43.8
91.43416	4.2
93.07044	70.0
95.04957	11.0
95.08607	46.8
97.06526	16.0
97.10104	4.0
99.08074	6.4
105.07025	33.8
107.04958	5.1
107.08598	44.1
107.09280	5.9
109.06516	10.7
109.10136	16.5
111.08063	8.4
117.07020	22.6
119.08577	36.6
121.06516	61.5
121.10162	44.6
123.08064	9.9
123.11667	5.1
125.09635	4.0
129.07002	6.2
131.08569	26.7
133.10121	33.3
135.08075	11.0
135.11707	13.7
137.09659	5.8
143.08572	9.0
145.10132	17.3
147.11702	20.1
149.09663	9.6
149.13223	6.6
153.09146	5.8
154.82384	3.5
157.10138	11.7
159.11711	15.0
161.13171	5.3
171.11659	7.3
173.11821	8.5
173.13332	12.4
177.12737	7.5
189.12769	4.6
189.16396	11.6
193.12190	6.2
195.13788	27.8
197.13174	4.0
199.14813	14.4
213.14830	25.6
217.15880	11.6
219.17340	4.6
221.15405	7.6
235.16931	100.0
257.19058	8.6
275.20041	69.6
276.20471	7.2
293.21057	10.8
298.44800	4.1
301.17984	9.4
320.46002	3.8
347.18359	65.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2743
Annotation	Himbacine
Peak:m/z	Relative Intensity
55.05510	1.7
56.05031	0.7
57.03429	0.4
57.07087	0.4
60.04517	0.9
62.06097	7.0
67.05510	3.5
69.07067	2.1
69.77813	1.2
71.04993	0.7
72.04510	0.4
72.08143	0.7
74.06083	4.4
79.05507	3.6
81.07059	7.1
82.06602	0.5
83.08639	0.6
85.06576	0.5
87.19672	0.3
91.05483	4.5
93.07053	6.9
95.04974	1.3
95.08606	4.9
97.06536	2.7
97.10165	0.6
98.22733	0.4
98.99104	0.3
100.07618	7.0
104.99265	1.3
105.07033	7.8
107.08590	6.3
109.06545	0.8
109.10174	2.9
111.08086	0.5
117.07037	1.5
119.08578	5.5
121.10155	2.7
123.11709	1.3
125.09670	0.8
128.10730	0.5
129.07019	0.6
131.08582	5.6
133.10126	4.7
135.11714	2.2
137.09621	0.5
142.07773	0.6
143.08554	2.4
144.09311	0.4
145.10139	4.6
147.11696	4.5
149.09531	0.3
149.13292	1.0
150.13390	0.3
155.08566	0.8
157.10141	2.7
159.11676	3.6
161.13258	2.1
169.10167	0.9
171.11708	2.8
173.13199	2.0
175.14833	1.2
182.10902	0.5
183.11731	1.0
185.13245	2.1
187.14836	2.2
189.16420	0.9
196.12408	0.3
197.13275	1.2
199.14807	1.1
201.16333	1.8
211.14810	1.4
213.16394	0.6
215.17964	0.6
222.45886	0.3
225.16406	0.7
227.17976	0.7
241.19276	0.5
262.98145	0.3
263.98431	0.4
267.21124	1.4
285.22079	0.8
302.24750	0.4
328.26398	1.3
346.27414	100.0
347.18420	2.8
347.22308	0.4
347.23135	0.6
347.27740	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	346.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	15.9
56.05025	7.7
56.39517	4.2
57.03445	9.3
57.07076	48.2
57.97672	4.1
58.06605	5.1
64.11621	4.1
67.05501	64.9
69.03428	8.0
69.07065	15.6
69.40414	11.2
69.40804	10.1
74.06077	7.1
74.09714	30.5
79.05495	53.7
81.03407	5.3
81.07056	50.1
81.19078	4.3
83.08622	8.3
85.05275	6.3
88.07623	40.5
91.05478	72.8
93.07052	55.6
95.04976	8.9
95.08617	40.0
97.10143	4.5
98.06051	10.4
104.99265	9.5
105.07035	50.9
107.08598	24.8
109.10155	19.6
116.10665	7.8
117.07011	38.0
119.08574	66.4
121.10144	41.6
123.08126	4.8
129.07024	15.8
131.08563	59.5
133.10135	23.5
135.08083	8.5
135.11670	11.3
139.11168	42.3
143.08586	14.4
145.10126	52.4
147.11674	42.8
149.82065	4.5
154.12227	9.8
157.10118	19.4
159.11656	38.6
161.13268	5.8
169.10094	6.3
171.11720	24.9
173.13258	34.4
181.09985	5.0
182.15334	5.8
185.13257	10.8
187.14827	64.7
189.16359	23.1
194.15675	5.5
197.13211	6.8
199.14810	5.7
208.16957	11.5
213.16403	36.2
215.14301	9.0
227.17931	24.1
229.19585	14.7
236.03278	4.4
255.17419	17.5
263.98575	7.7
288.23212	100.0
298.31094	25.2
306.83716	5.1
328.26309	50.1
346.27316	23.6
346.33093	82.5
347.22055	24.1
347.25610	7.9
347.33533	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	346.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
57.06823	0.5
57.07082	7.5
58.06596	1.5
61.59700	0.3
69.07043	0.4
70.06596	15.5
70.19145	1.0
71.08644	2.4
72.08149	0.5
84.08155	0.4
85.10175	1.2
88.07637	23.0
89.06069	0.3
97.54283	0.3
102.09190	14.0
113.72704	0.4
132.10182	0.8
146.11797	0.4
150.11298	0.8
191.76009	0.4
240.26904	1.0
284.29495	37.3
285.29819	2.6
328.32050	2.0
346.33167	100.0
347.33524	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	347.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.5
60.04510	7.3
61.04874	2.7
64.07878	2.2
67.05497	2.5
71.45407	2.7
78.52435	2.6
79.05470	4.3
85.02876	4.5
85.06527	5.0
89.63113	2.5
91.05470	3.3
96.05859	2.6
98.97577	9.0
107.23395	2.5
116.98609	6.7
121.06544	3.2
125.09603	3.6
137.05956	5.7
149.05919	7.1
150.06340	5.1
151.07494	2.6
153.05415	4.8
158.99625	2.7
167.10654	3.3
177.00725	2.9
185.05646	2.5
185.11813	13.4
215.99933	2.5
237.02620	3.4
259.41049	2.1
299.19583	2.2
305.09027	5.0
328.25046	3.6
330.09702	4.0
346.25858	5.5
347.10919	100.0
347.16397	9.5
347.26053	5.2
348.11047	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	347.1237
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.01871	2.4
60.04509	1.0
65.03935	3.4
65.04214	0.5
67.05507	4.7
68.05019	1.2
69.03407	0.6
70.36967	1.2
79.05478	0.6
81.07027	0.5
82.20827	0.5
85.02905	2.6
85.06528	0.5
91.05461	1.0
92.04440	1.0
92.04998	12.7
93.07063	0.8
94.06567	0.8
95.04960	1.8
96.04498	1.5
97.06525	0.6
107.04934	0.6
107.08594	0.6
108.04469	0.9
109.06509	0.8
110.06044	1.3
111.04437	2.2
111.08011	0.6
120.04473	7.0
121.10137	1.1
122.06020	2.9
123.06805	0.6
125.05965	0.6
134.06017	5.1
136.07574	0.9
138.05490	11.5
138.06477	1.0
145.04984	1.3
146.05977	1.1
148.03922	1.0
153.06993	0.9
154.06606	0.6
158.06021	0.6
162.05443	3.3
164.07057	10.4
166.05017	8.1
167.10684	1.7
169.08897	0.8
170.06000	0.7
170.09671	2.9
172.07576	1.5
176.07068	1.7
180.08153	1.1
182.08139	8.0
182.60173	0.5
183.06776	1.0
184.07562	1.1
184.11176	0.8
185.11887	3.3
186.09146	1.0
187.08673	0.9
190.04967	0.6
196.07587	1.9
197.08315	0.9
198.09181	7.6
199.08592	3.6
200.09372	1.2
201.10178	1.1
208.06021	8.4
210.09145	1.6
211.06364	0.6
212.10789	3.0
213.06610	2.3
213.10197	7.3
214.08672	2.0
214.10811	1.3
215.08200	1.4
222.09232	0.7
223.08633	0.7
224.07137	1.1
226.08672	15.9
227.08081	4.8
227.11816	2.2
229.09711	1.2
231.11147	0.7
238.08592	2.2
240.10265	5.9
241.09692	25.9
242.08089	1.6
242.10382	3.2
251.08073	0.7
255.11288	6.8
255.13716	0.9
256.09647	5.7
258.11288	1.3
259.10797	5.4
260.11557	2.0
265.09753	1.7
266.08127	1.5
267.11310	2.4
268.09686	8.9
269.09204	6.4
270.07434	0.6
273.12305	2.0
275.10406	0.7
283.10730	4.9
284.09109	10.6
285.12051	0.8
286.10745	4.3
287.10257	15.8
288.10599	0.8
289.59906	0.5
293.09164	1.6
294.07507	0.6
301.11816	15.6
302.10101	1.7
311.10281	5.1
312.08572	2.9
319.12927	4.4
329.11255	4.0
330.09570	5.6
347.12372	100.0
347.26236	1.3
348.12976	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	347.1678
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
59.39610	0.2
69.35297	1.0
121.10115	0.3
183.85051	0.3
185.11478	1.7
213.05492	0.4
231.06538	0.4
246.11450	0.2
264.97101	0.3
347.16748	100.0
348.17117	6.1
348.22498	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.6
57.03422	0.5
60.04534	3.6
67.05511	4.0
69.07068	1.5
69.59199	1.8
71.04987	0.6
72.08182	0.6
76.03624	0.5
79.05489	2.1
81.03361	0.6
81.07041	2.6
83.04995	0.9
83.08640	0.9
91.05476	1.6
93.07055	2.4
95.04929	0.9
95.08595	2.0
97.06566	0.8
97.10162	1.3
99.08115	0.6
104.99233	0.7
105.07028	1.7
107.08627	1.4
109.10152	2.9
111.08118	1.1
113.09631	0.6
117.07015	0.6
119.08602	0.6
121.06499	1.1
121.10154	2.5
125.09602	0.8
131.08580	0.7
133.06483	0.8
133.10143	0.9
135.08093	1.2
135.11685	0.7
137.09604	0.5
139.11163	0.8
142.08725	0.5
143.78275	0.6
151.11166	0.9
153.66127	0.6
155.10666	0.7
157.61249	0.6
167.10658	0.8
173.11719	3.8
186.02769	0.5
189.11163	0.6
195.09836	0.7
277.14148	0.6
277.21631	0.7
293.21115	1.2
293.61615	0.6
329.17300	1.5
347.18289	100.0
348.14096	0.9
348.18542	9.2
348.27484	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08667	0.6
52.92933	0.5
68.88888	0.6
69.56121	2.5
79.05505	0.9
81.07035	0.9
91.05488	0.8
95.05003	0.6
95.08585	1.0
97.99298	0.6
102.01875	0.7
104.99250	1.3
105.07071	0.8
107.08589	1.0
109.19962	0.6
135.08063	1.7
135.89505	0.7
195.02231	0.7
207.03967	0.7
223.09378	1.6
261.14630	21.1
262.14935	0.9
329.17242	2.5
347.18298	100.0
347.25491	2.3
348.18591	6.4
365.17023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50085	0.6
55.05501	2.3
57.03412	1.0
58.09341	0.6
61.22429	0.5
67.05508	6.2
69.07065	1.3
69.53915	1.2
69.54309	2.1
71.08638	0.9
79.05487	2.4
81.07063	4.4
83.08627	1.4
91.05490	1.3
93.07030	2.5
95.08607	2.2
97.10175	1.2
98.22713	1.3
105.07007	1.1
107.08582	2.5
109.06516	1.0
109.10149	5.5
119.08564	1.1
125.09646	0.9
132.79944	0.6
133.10161	0.7
135.11700	0.8
137.09621	0.7
149.13249	1.8
155.10660	1.7
158.61900	0.6
173.11737	9.7
175.15039	0.7
178.75453	0.7
189.11211	1.6
195.13838	3.0
213.14905	1.5
244.80070	0.6
272.85471	0.6
277.21585	3.8
295.22638	1.8
329.17090	1.3
336.11917	0.6
347.18280	100.0
348.18576	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	347.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.3
67.05511	0.4
68.56832	0.3
69.92491	0.9
71.06090	0.3
72.33690	0.4
98.22830	0.6
104.99279	0.7
105.07025	0.4
116.73900	0.3
118.49673	0.3
133.10065	0.4
136.06235	0.3
145.91977	0.3
155.63232	0.3
195.09917	0.4
329.17377	1.8
347.18277	100.0
348.18533	6.5
353.81287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53895	0.9
67.05489	1.1
69.07048	1.2
69.66460	4.0
93.06991	1.6
104.99243	2.2
105.07058	1.4
107.08581	1.2
109.10126	1.0
119.08595	1.2
195.09952	2.2
230.95778	0.9
261.11865	0.8
264.66925	1.1
269.66458	0.9
310.21988	0.9
329.13657	1.8
329.17212	19.2
347.18286	100.0
347.27267	5.6
348.18564	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	347.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12209	0.5
55.05495	0.7
56.96557	0.5
67.05501	1.2
69.49506	2.6
77.71904	0.6
79.05495	0.7
89.69123	0.5
91.05477	0.8
93.07107	0.7
95.08596	1.5
105.07011	0.8
187.07274	3.2
273.14706	0.6
294.21335	0.6
329.17429	0.6
347.18320	100.0
348.18680	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	347.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.7
63.65223	1.6
67.05503	3.2
71.44658	1.3
74.29047	1.8
79.05495	4.4
81.07050	4.4
91.05492	3.8
93.07056	1.7
95.08614	3.7
102.17489	1.5
104.99283	2.5
105.07010	3.3
107.12879	1.9
111.08082	1.5
119.08578	3.8
120.42442	1.5
121.06506	3.2
131.08586	3.3
133.10126	2.2
135.08066	3.1
159.11722	2.5
273.18454	6.5
276.20316	3.5
347.18301	100.0
347.21988	5.3
348.18521	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1854
Annotation	Cyathin C5
Peak:m/z	Relative Intensity
53.03942	0.3
55.01864	0.5
55.05506	1.0
57.03427	0.4
67.05513	2.2
69.03417	0.5
69.07069	0.8
69.41962	1.5
79.05505	2.5
81.07054	1.5
82.07342	0.4
83.04974	0.8
83.08620	1.0
91.05478	2.2
93.07049	5.5
94.07423	0.3
95.04959	1.6
95.08611	1.8
97.00441	0.3
97.66424	0.4
98.22733	0.6
99.04453	0.4
103.05496	0.4
105.04487	0.6
105.07021	3.1
107.04931	0.4
107.08601	3.0
108.05746	0.5
109.06502	0.7
109.10168	1.3
111.04467	1.5
111.08099	0.8
117.07021	0.8
119.08611	2.6
121.06510	100.0
121.10143	1.6
122.06805	2.7
123.08089	1.4
125.05988	0.6
131.08583	1.2
133.10164	1.1
135.08064	4.3
136.06265	0.4
137.05991	0.9
137.09593	0.5
137.22711	0.3
139.07532	2.3
143.08618	0.6
145.10210	1.6
147.08064	1.1
147.11711	1.2
149.09598	0.9
149.13251	0.6
151.07579	0.6
153.09105	0.8
157.10164	1.0
158.10838	0.4
159.11682	0.7
161.09631	0.6
162.10416	0.4
163.11224	0.4
171.11679	1.5
173.09604	0.4
173.13260	0.9
175.11169	0.7
183.11763	0.6
185.13281	0.8
187.11218	0.5
189.12724	0.5
193.12263	6.8
193.78923	0.4
195.11722	0.6
197.13315	0.5
199.11237	0.7
217.12354	0.9
219.10173	0.7
231.10242	0.6
243.13914	0.8
245.11766	2.0
269.15500	0.8
283.16891	2.2
287.16483	1.2
301.17963	9.5
302.18277	0.6
311.16373	0.8
326.35950	0.4
329.17429	1.2
339.04196	0.3
347.18500	24.1
348.14948	0.6
348.18622	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	347.1852
Annotation	Cyathin C5
Peak:m/z	Relative Intensity
51.02364	0.3
55.01854	0.4
55.05507	0.7
61.47730	0.4
64.37843	0.3
64.86715	0.3
67.05501	1.6
69.07055	0.9
79.05479	1.9
81.07041	1.3
83.04974	1.0
83.08618	1.0
91.05482	2.9
93.07042	4.8
95.04967	1.4
95.08591	1.5
99.04418	0.4
104.99302	0.4
105.04504	0.7
105.07024	4.3
107.04946	0.6
107.08598	2.7
109.06525	0.7
109.10167	1.3
111.04436	2.1
111.08117	0.5
117.07021	1.0
119.08561	2.3
121.06503	100.0
121.10138	1.5
122.06812	2.7
123.08050	2.2
125.06080	0.5
126.16821	0.3
128.06262	0.3
131.08571	1.6
133.10074	1.0
135.08047	4.3
137.05992	0.8
137.09630	0.5
139.07573	2.1
143.08566	0.6
145.10138	1.7
147.08046	1.0
147.11678	0.9
149.09578	1.0
151.07593	0.4
153.09120	0.8
157.10129	0.8
159.11757	0.6
161.09650	0.4
163.11160	0.5
169.10133	0.5
171.11679	1.2
173.09750	0.6
173.13278	1.1
175.11230	0.9
182.10718	0.4
185.09589	0.4
185.13284	0.7
186.13979	0.5
187.11011	0.4
193.12231	6.9
197.13286	0.8
199.11221	0.8
203.10663	0.6
217.12228	0.6
219.10172	0.9
231.10109	0.6
243.13818	0.7
245.11740	1.8
262.98132	0.5
269.15317	1.1
283.16971	2.5
287.16339	1.3
301.17966	10.7
302.18195	0.9
311.16562	0.6
327.38269	0.3
329.17462	1.2
347.18475	25.9
348.18677	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	347.1959
Annotation	Val Thr Gln
Peak:m/z	Relative Intensity
67.05485	1.5
69.79269	1.9
79.05482	1.1
81.07059	1.9
95.08622	1.9
97.36475	0.8
103.10957	0.9
103.83340	0.8
109.06573	0.9
109.10227	1.0
133.10194	0.9
149.13335	0.9
230.44270	0.8
251.10286	2.9
347.19543	100.0
348.19897	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1957
Annotation	Val Thr Gln
Peak:m/z	Relative Intensity
55.05518	0.4
56.39988	0.4
57.07058	1.2
69.07063	1.0
69.12209	1.7
69.12623	0.9
70.10804	0.4
79.05475	0.9
81.07032	1.6
89.05979	0.5
89.72020	0.4
95.08614	1.0
105.07017	0.5
107.08575	1.2
109.06466	0.5
123.08018	0.7
133.10107	0.7
135.08051	8.4
149.09583	0.6
177.12746	2.3
247.16451	0.4
280.40341	0.4
347.19562	100.0
347.25644	7.5
348.19876	8.8
348.24310	0.5
348.26044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1959
Annotation	Val Thr Gln
Peak:m/z	Relative Intensity
55.79746	0.2
77.96941	0.6
81.07060	0.6
86.05772	0.2
93.41341	0.3
95.08586	0.4
96.72036	0.2
98.23514	0.5
107.08573	0.3
121.10120	0.2
124.88666	0.2
139.68633	0.2
143.00789	0.7
183.04016	0.3
194.99118	0.2
217.15654	0.2
228.76060	0.3
230.59543	0.3
238.09143	0.3
251.10194	5.3
252.10535	0.3
255.61833	0.2
265.11710	0.8
266.12552	1.9
347.19553	100.0
348.15613	0.5
348.19897	9.1
365.20657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
55.05505	2.6
55.62749	1.0
57.07078	1.9
67.05496	3.0
69.61378	4.5
79.05498	1.5
81.07050	3.1
81.68616	1.2
82.85193	1.1
83.05000	1.4
83.08641	1.4
85.90269	0.9
88.07607	2.1
91.05473	3.5
93.07037	2.3
93.28845	1.2
95.08598	4.1
97.06514	1.7
98.23387	1.6
104.99262	1.2
107.08601	2.7
109.06508	2.9
116.37550	1.3
119.08586	2.0
120.64288	1.2
121.10138	1.8
123.08090	2.2
131.08664	1.2
133.10153	2.6
135.08054	55.5
135.11612	1.1
136.08438	1.3
145.10181	1.8
149.09641	2.8
151.58917	1.1
152.67809	1.2
161.09636	2.2
177.12740	20.2
193.12177	1.3
291.19528	2.1
298.31116	2.5
299.31503	1.8
325.03058	1.1
329.24835	1.3
346.32980	3.4
347.21881	100.0
347.25851	54.0
347.33334	4.5
348.22205	4.7
348.26016	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	347.2193
Annotation	Cortexolone
Peak:m/z	Relative Intensity
56.05036	0.6
57.07067	1.2
58.06585	0.4
69.36015	0.4
70.00417	1.1
70.06572	0.5
70.42729	0.3
71.08676	0.3
74.06078	0.7
75.97531	0.3
88.07627	3.6
89.07963	0.5
118.08656	0.6
121.81329	0.3
122.08112	0.4
154.73985	0.3
171.37666	0.4
199.16574	0.4
252.85059	0.4
284.29623	0.5
285.29886	0.6
293.21191	0.5
295.50778	0.4
298.30994	1.9
299.31390	1.6
325.16986	0.4
329.97644	0.4
335.84357	0.3
346.33142	7.2
347.21915	100.0
347.33395	6.8
348.22266	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
50.76978	0.8
55.05519	0.7
56.05042	1.6
57.07066	2.1
58.06604	1.6
63.89436	0.6
67.05501	1.4
69.43700	0.7
69.62270	2.3
70.06563	0.9
71.08633	1.2
74.06077	1.8
88.07638	8.2
93.07038	0.9
95.08572	1.7
109.10146	1.6
118.08631	1.4
119.08615	0.7
119.71813	0.8
122.08199	1.7
135.08063	2.2
159.11662	0.7
165.16966	0.7
165.18440	0.6
194.37779	0.7
195.88005	0.7
196.62009	0.7
284.29510	1.3
285.29816	1.3
298.31158	2.6
299.31332	3.9
346.33200	8.5
347.21936	100.0
347.25568	4.7
347.33441	15.7
348.22348	6.9
348.33176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
67.51692	0.3
69.23051	1.9
98.23489	0.7
102.12193	0.4
107.73358	0.3
124.22343	0.3
129.00537	0.3
160.94171	0.5
346.33218	0.5
347.21915	100.0
348.22260	6.7
363.06210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2194
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07070	1.6
58.06600	0.8
58.72422	0.3
58.88541	0.3
69.44525	0.4
69.44820	1.8
70.06583	4.1
71.06920	0.6
71.08648	0.4
88.07630	5.3
89.07948	0.5
93.49298	0.4
102.09180	2.8
134.72995	0.3
145.83978	0.3
169.30177	0.4
224.65807	0.6
261.14642	3.1
284.29462	4.3
285.29828	5.8
346.33188	10.4
347.21921	100.0
347.33429	13.5
348.22141	7.3
349.74832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01874	19.3
55.05514	14.3
57.03437	11.6
57.07070	4.2
65.03940	1.4
67.05504	15.5
69.03432	1.7
69.07061	8.4
69.42165	1.9
69.42568	2.8
70.06590	7.9
71.04984	2.3
71.74709	0.8
77.03911	1.3
77.86745	0.8
79.05495	20.9
81.03416	4.2
81.07061	16.8
83.04978	3.3
83.08624	2.8
84.87984	0.7
88.07634	7.6
89.07948	1.0
91.05479	30.2
93.03415	1.1
93.07044	10.0
94.07340	1.0
95.04962	6.1
95.08601	5.7
97.06530	14.6
97.10160	3.2
102.09203	5.5
103.05474	1.6
104.06244	1.4
104.99240	1.0
105.03394	3.9
105.04517	1.0
105.07032	17.8
107.04955	15.0
107.08602	7.0
108.05769	1.1
109.06526	3.1
109.10162	4.8
111.08061	1.5
114.55731	0.8
115.05453	3.3
116.06298	1.3
117.07027	12.0
119.04935	9.0
119.08588	14.5
120.05750	5.0
121.06526	7.7
121.10150	2.8
123.08070	3.0
125.09654	2.5
128.06215	2.0
129.06996	7.6
131.04901	1.1
131.08572	8.3
132.05740	2.6
133.06494	20.9
133.10155	4.4
134.07294	9.2
135.08052	5.0
135.11685	1.9
137.09621	1.6
141.07010	1.1
142.07863	1.2
143.08545	5.9
145.06479	5.3
145.10118	6.3
146.07256	2.2
147.08046	22.0
147.11678	1.8
148.08813	1.1
149.09622	3.4
151.07608	1.1
151.11157	1.4
155.05965	0.9
155.07143	1.6
155.08530	1.5
157.10123	4.7
159.08046	3.8
159.11713	2.5
161.09631	11.7
162.10390	3.5
163.11221	2.7
169.10091	0.9
171.11632	4.6
173.09593	4.1
173.13280	1.2
175.11208	13.9
177.12737	1.7
181.10184	0.8
185.13287	2.5
187.11142	1.9
188.12013	2.1
189.09122	1.7
189.11316	1.1
189.12773	1.1
195.11491	1.0
201.12695	1.0
203.14287	4.1
210.28223	0.8
213.12653	0.9
227.17918	1.7
231.13780	4.8
232.14142	0.9
245.19022	10.9
249.14857	13.7
255.17369	1.1
263.16403	0.9
273.18497	100.0
274.18851	6.4
284.29474	10.2
285.29779	7.5
291.16281	1.4
291.19528	27.5
292.19888	1.7
346.33160	25.8
347.22128	61.9
347.25613	2.7
347.33453	29.7
348.22501	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	347.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87721	0.3
60.91959	0.3
61.37539	0.3
67.05518	0.4
70.06583	0.5
70.53297	0.6
73.19257	0.3
86.09700	0.7
91.05502	0.5
93.07047	0.3
98.23293	0.4
104.99253	0.6
109.10185	0.3
125.40809	0.3
150.11232	0.3
153.00974	0.3
162.80286	0.3
184.17026	0.4
347.25558	100.0
348.21918	0.6
348.25876	8.6
348.30161	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0706
Annotation	Adenosine 3'-monophosphate
Peak:m/z	Relative Intensity
51.63678	0.1
57.03424	0.6
69.03422	1.4
71.44445	0.2
72.08124	0.2
73.93220	0.2
82.23597	0.2
84.08105	0.2
85.02397	0.3
85.02905	5.6
86.09708	0.2
87.71473	0.2
94.04038	0.5
97.02882	2.8
98.97646	0.2
98.97769	0.2
98.98454	2.2
99.04440	0.2
111.62245	0.2
115.03947	0.5
119.03561	1.1
123.04430	4.5
123.05271	0.3
127.03915	0.2
136.06183	100.0
136.99931	0.4
137.04604	1.0
137.06656	1.7
137.28818	0.2
145.04863	0.3
151.03918	1.2
161.02969	0.2
164.99477	2.3
165.00749	0.2
169.04953	2.3
213.01649	0.7
220.02267	0.2
245.05087	0.3
288.30316	0.2
325.02396	0.4
330.05914	0.3
348.07047	9.0
349.07446	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	348.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.4
63.99938	0.2
69.03430	1.2
69.07092	0.2
71.44742	0.2
84.08145	0.2
85.02905	5.9
86.07878	0.2
86.09718	0.3
94.04062	0.4
97.02893	2.9
98.97562	0.2
98.97758	0.2
98.98462	2.3
115.03928	0.4
119.03528	1.0
121.06460	0.2
123.04427	2.5
136.06180	100.0
136.99980	0.5
137.04707	0.8
137.06593	1.8
143.01833	0.2
151.03899	0.6
156.70605	0.2
164.99484	2.6
169.04996	1.7
173.02924	0.2
213.01546	0.5
217.84189	0.2
218.00250	0.2
257.19510	0.2
260.07632	0.2
272.98184	0.2
325.02325	0.4
330.05920	0.5
343.24356	0.2
348.07031	9.4
349.07037	0.5
364.44678	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	348.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33693	0.4
65.03938	0.7
69.03435	0.8
85.02899	3.0
85.03332	0.4
86.09721	0.4
88.31217	0.4
91.05482	55.7
92.05817	1.4
93.07064	0.6
94.93017	1.0
97.02901	1.5
101.00893	0.6
105.07045	1.5
107.04985	0.6
113.00871	0.4
118.03563	0.6
119.04945	73.4
120.05270	2.3
121.06509	4.2
123.04428	1.2
126.82771	0.4
127.03944	0.4
128.62292	0.4
129.05144	0.4
131.01900	1.0
135.46368	0.4
135.51123	0.4
136.06189	5.1
136.07535	0.7
141.05090	0.7
143.01982	0.5
143.06676	0.8
145.04997	0.8
151.07544	100.0
152.07870	5.2
161.07756	1.0
169.05090	0.6
176.93481	0.6
187.05684	2.4
197.72997	0.4
205.06699	0.8
212.85114	0.6
229.06752	2.8
241.06689	2.1
247.03099	0.5
250.89554	0.8
298.12872	0.6
313.12741	1.4
348.06793	0.5
348.96857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.7
65.03943	0.7
66.25954	0.5
67.31262	0.4
70.36378	0.7
70.36709	0.8
73.37386	0.4
85.02894	2.6
91.05485	65.3
92.05816	1.6
94.74429	0.5
98.23551	0.5
105.07024	1.7
106.40134	0.5
110.90067	0.6
119.04948	77.9
120.05282	2.9
121.06512	4.3
133.06505	0.6
136.07558	0.7
145.04950	0.6
151.07549	100.0
152.07889	2.8
202.94670	0.5
228.40916	0.5
298.12958	0.5
308.52786	0.7
313.12900	1.1
349.14676	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	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01856	0.6
57.03450	0.9
61.02931	2.5
65.03945	0.6
69.03432	3.9
70.38215	1.1
71.04984	0.7
72.46774	0.5
73.02912	0.9
78.74019	0.5
81.03426	2.3
85.02905	22.7
87.04480	0.6
91.03954	0.6
91.05482	13.0
95.04970	2.4
97.02887	5.3
97.27937	0.4
97.30328	0.4
97.67467	0.4
99.04460	1.0
105.07030	0.5
105.58195	0.4
109.02880	1.7
119.04084	0.6
119.04948	11.9
127.03905	3.9
136.05215	2.2
136.06128	0.5
137.05991	1.8
145.04968	5.2
151.07544	100.0
152.07895	4.5
153.05450	0.7
157.06480	0.7
163.00478	0.5
165.09122	1.3
166.24545	0.4
169.08606	9.6
178.17238	0.4
180.08665	1.2
181.08606	0.5
193.08629	2.1
196.71877	0.4
209.08023	0.5
217.08633	0.6
221.71248	0.5
231.10106	0.5
259.09839	0.7
265.10565	0.4
277.10733	1.8
348.13507	0.7
349.08807	4.0
349.12613	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	348.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.01866	0.8
57.03436	1.0
61.02923	1.7
65.03924	0.5
66.43153	0.4
69.03437	4.2
69.53512	1.8
71.05009	0.5
78.38404	0.4
81.03432	2.1
85.02909	19.4
85.03418	1.1
86.03223	0.5
91.03951	1.2
91.05481	12.1
92.05781	0.5
95.04971	2.0
97.02892	5.0
99.04457	0.9
109.02882	2.0
119.04955	13.2
123.08089	0.8
127.03928	2.9
133.06488	0.5
136.05205	1.5
137.06004	1.3
145.04973	4.1
151.07552	100.0
152.07870	3.5
153.05504	1.2
159.05000	0.5
165.09100	1.4
169.08607	11.1
179.07010	0.6
180.08673	1.0
181.08667	0.9
186.11176	0.4
189.05647	0.6
193.08664	1.7
195.06540	0.7
248.14908	0.5
266.65488	0.5
277.10757	1.3
280.15793	0.4
295.11856	0.6
302.11319	0.4
348.13409	1.4
349.08832	4.6
349.12613	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	348.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08572	1.9
53.03942	1.7
54.27096	2.0
55.05514	100.0
60.04518	10.6
67.05504	5.7
69.03427	3.5
70.08219	3.2
70.08567	3.7
73.25793	1.8
78.05113	1.8
79.05499	3.5
81.07063	17.5
83.04977	6.4
83.08635	3.5
85.02882	3.1
91.05475	5.8
93.07047	7.6
95.04982	2.3
95.08616	2.2
97.02909	2.7
97.06531	28.6
98.09699	4.4
98.22792	2.2
99.08064	2.8
100.11244	12.6
105.07022	7.7
107.08601	21.7
109.06559	2.3
109.10184	14.5
111.04435	3.2
116.10726	5.2
123.11720	9.6
131.08533	2.8
133.10103	7.9
136.06201	6.2
139.30103	2.1
141.11484	4.6
151.11183	59.0
171.65004	1.7
182.15367	6.3
184.71425	2.0
198.14949	3.6
199.18018	3.4
209.16463	2.5
210.14903	8.1
213.30922	1.8
218.66107	2.1
226.14462	4.6
276.21191	8.2
330.26428	9.5
348.14441	2.7
348.21930	3.1
348.27399	3.6
349.07098	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	348.2171
Annotation	Consabatine
Peak:m/z	Relative Intensity
53.39143	1.6
55.05500	2.7
67.05499	5.3
69.07059	5.3
71.28350	1.4
71.45779	1.7
76.77526	1.3
79.05497	6.2
80.39366	1.5
81.07053	5.6
83.08624	1.6
91.05478	6.6
93.07059	4.3
95.04964	5.9
95.08612	6.6
97.06520	2.5
103.05427	1.4
105.07025	13.4
107.08593	4.8
109.06509	2.1
109.10168	4.4
117.06982	1.7
119.08588	8.9
121.06480	2.5
121.10097	1.7
123.11714	4.2
125.05972	3.8
131.08560	17.6
133.10127	3.2
136.06247	2.4
145.10136	4.2
146.09581	2.1
147.11774	2.1
149.05968	3.7
159.11761	1.8
173.13219	14.5
174.13806	1.6
201.12781	4.6
204.17598	2.2
226.12250	1.5
246.42422	1.8
254.19099	2.0
268.56448	1.7
272.77457	1.4
277.20871	2.2
284.20245	2.7
302.21127	100.0
303.21442	6.4
311.06284	1.7
330.20602	70.9
331.20898	4.8
348.17639	3.6
348.21713	73.6
349.19452	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	348.2748
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
55.01878	0.6
55.05519	2.5
56.05037	2.4
57.07073	0.6
59.05787	0.5
60.04529	100.0
61.04868	0.8
64.25617	0.6
67.05509	10.7
69.03433	0.6
69.07072	3.3
69.07413	0.5
70.06587	0.8
71.46029	0.7
72.04517	4.0
74.06087	1.6
79.05495	7.3
80.05030	1.2
81.03413	0.6
81.07064	9.0
82.06596	1.7
83.04974	0.7
83.08641	1.1
85.02931	0.6
85.06558	0.7
86.59844	0.5
90.05582	1.0
91.05482	8.0
93.07043	8.5
94.06568	1.2
95.04993	1.8
95.08612	7.0
96.08119	0.7
97.06508	0.7
97.84597	0.6
98.06083	0.7
100.07637	0.6
104.97347	0.5
105.07052	4.0
107.04999	0.6
107.08593	3.8
109.06522	1.1
109.10185	2.9
117.07021	2.0
119.08595	2.8
120.08173	0.6
121.10149	2.9
123.08090	0.8
123.11721	2.0
126.61272	0.5
129.07016	1.0
131.08580	2.6
133.10161	1.9
134.09653	0.6
135.08121	1.1
135.11703	2.0
135.19838	0.5
143.08627	1.3
145.10162	1.8
147.11723	2.0
149.09621	0.5
149.13277	1.3
151.53929	0.6
157.10179	0.8
159.11688	0.6
161.13161	0.8
167.07094	1.9
171.11752	0.8
204.34462	0.5
217.19537	1.1
246.22203	0.8
258.22284	0.7
259.20624	1.0
276.23322	3.0
294.24304	5.7
312.25342	10.8
313.25754	0.7
330.26392	60.8
331.26645	4.2
348.22644	2.6
348.27414	23.3
349.13876	1.4
349.27795	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05259	1.8
55.05511	18.7
57.03448	7.3
57.03673	1.6
59.04999	3.2
67.05503	64.6
69.07063	12.9
69.68644	2.2
69.68972	1.6
71.04986	3.9
71.08647	8.0
74.54274	1.4
75.74402	1.4
75.85654	1.5
79.05484	13.3
81.03403	2.1
81.07058	36.9
82.07381	2.0
83.04974	4.8
83.08611	14.0
85.06551	4.8
91.05475	12.5
93.07046	22.0
95.04970	2.9
95.08598	12.1
97.06527	3.7
97.10165	10.7
98.23459	3.1
99.08106	5.9
105.07038	8.0
107.08581	15.1
109.06548	2.6
109.10158	53.4
111.08062	3.1
117.06998	3.5
119.08562	12.2
121.06438	1.7
121.10144	6.7
123.11703	3.1
125.09653	9.1
131.08560	2.7
133.10132	5.8
135.08066	2.1
135.11668	5.6
137.09650	5.0
145.10133	2.8
147.11676	3.6
149.13274	12.2
151.11203	5.9
155.10655	20.7
159.11687	6.9
161.13255	4.9
162.28775	1.6
163.11183	3.0
165.12762	2.1
173.11732	100.0
174.12096	3.5
177.12782	2.0
179.14297	2.7
189.11201	13.4
190.14336	2.4
195.13805	28.3
213.14876	14.9
241.19540	2.8
249.22191	1.6
259.20676	2.3
275.19992	1.6
277.21616	34.5
277.24490	2.3
278.22018	2.8
295.22723	14.2
306.55219	1.5
348.18542	5.1
348.22226	2.2
349.20004	20.0
349.23895	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	349.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82540	1.6
55.69638	1.5
56.96561	19.8
64.00568	1.6
73.02956	2.0
81.03433	2.1
84.96043	7.3
85.02921	3.3
90.01176	1.9
91.05492	7.0
91.83106	1.5
93.76187	1.5
98.97586	63.8
101.00883	3.8
104.73820	1.6
110.96877	3.0
110.97579	30.2
112.99157	6.3
116.98618	23.9
119.01913	3.9
119.04993	7.0
120.05298	2.9
121.06511	23.2
123.04446	8.0
124.04787	5.9
124.99156	2.0
127.00648	7.9
128.98618	26.3
131.00180	4.1
131.01927	2.0
134.99675	6.0
136.06219	3.7
138.09154	7.2
140.98636	2.8
143.00186	6.1
143.01920	2.6
145.01736	18.4
145.03523	2.0
146.99637	12.5
151.07565	10.0
152.07884	4.2
155.01913	1.9
158.99678	8.4
161.01245	6.5
161.02937	4.2
163.02800	15.9
165.00645	2.1
167.04144	2.7
169.04915	2.6
170.05392	2.9
170.99620	8.5
171.03256	1.6
171.28600	1.6
172.94322	4.6
173.02968	2.1
177.00708	10.8
181.03848	2.1
185.03044	2.0
186.99275	1.8
187.02730	6.6
187.04347	2.0
187.08673	2.1
189.00749	5.4
190.95328	2.5
192.03673	10.9
194.04929	2.2
197.01259	2.3
197.02902	3.5
201.00784	6.6
205.03882	5.0
210.04721	49.4
211.02888	1.9
211.06387	3.0
217.94229	1.6
219.01764	68.2
222.74640	1.9
223.02856	4.8
228.05858	4.4
229.03891	3.9
234.04735	46.3
237.02817	100.0
245.05060	12.0
252.05786	54.3
255.03900	6.2
260.04538	1.7
264.99039	1.7
288.99249	3.9
289.05884	51.7
307.06940	94.3
308.07275	2.5
330.08682	3.2
349.02582	1.6
349.04117	2.3
349.08316	20.0
349.14441	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.5
63.78732	1.3
69.66633	5.5
85.02901	4.0
91.05491	2.4
92.05810	3.6
96.77945	1.3
98.22825	2.4
99.09034	1.2
105.07061	2.0
110.87988	1.2
119.04945	4.0
119.54934	1.3
122.24886	1.4
144.90868	1.3
147.04445	7.6
151.07498	10.5
152.07890	13.5
158.08423	1.3
204.10248	2.2
204.17096	2.1
321.09555	1.9
349.08835	16.0
349.12604	100.0
350.12927	3.7
350.20724	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	349.1396
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01872	1.6
55.05504	2.1
58.50160	1.3
67.05507	5.3
69.07072	2.7
70.06583	1.8
79.05505	3.9
80.05019	7.6
81.03421	2.6
81.07056	5.6
83.05016	1.2
84.04498	1.7
85.02925	2.4
91.05481	3.7
93.07018	4.4
94.06545	7.5
95.04965	3.1
95.08607	2.4
97.06546	1.9
98.06052	7.5
99.04456	1.4
105.07032	4.2
107.05008	1.7
107.08585	2.4
108.04475	100.0
109.04799	1.8
109.06516	2.3
109.10154	6.9
110.05984	2.0
111.04444	1.8
111.08080	1.7
112.07626	2.5
117.54804	1.4
122.06033	21.4
123.06779	1.9
123.11700	4.3
129.06989	1.9
133.10121	7.0
134.06050	1.7
136.07578	5.6
137.05989	2.1
138.05479	1.7
140.07056	14.5
147.04466	3.8
148.07552	1.6
150.05496	14.1
151.03926	2.4
151.11208	9.0
153.05498	1.6
155.07375	2.0
156.99435	1.4
158.09666	2.3
160.07521	1.7
164.07054	10.9
167.07018	1.9
168.06567	91.8
169.06850	2.8
169.12213	4.1
170.09659	4.6
172.11076	1.6
176.06992	1.8
182.08128	76.0
183.08559	1.9
183.45291	1.7
184.07594	4.4
187.13359	3.1
197.10750	3.0
198.09233	10.0
199.08659	4.1
200.09306	2.7
201.10184	3.2
202.08791	1.5
210.09187	1.7
211.08711	2.1
212.07085	3.8
212.09427	4.9
213.05449	2.1
213.10205	18.3
214.08850	1.7
214.10831	3.2
215.11841	7.1
216.08763	2.6
216.10464	2.0
218.29591	1.4
224.09216	1.5
225.10219	10.8
226.08665	8.1
226.10744	2.2
227.09251	1.8
227.11639	1.8
229.09717	5.0
230.11971	2.0
231.06781	1.8
232.09706	1.6
239.11955	1.5
240.10152	6.2
241.09801	3.1
243.11307	19.7
244.09616	11.3
245.10388	2.4
246.11299	2.5
253.09766	6.4
254.08083	4.1
254.10310	2.6
255.11273	4.8
257.09045	1.7
258.11517	8.6
261.12320	8.9
267.11249	2.9
268.09683	6.1
271.10733	16.1
272.09100	3.9
272.11603	22.2
273.12296	10.9
276.11505	2.1
285.12347	5.9
286.10754	11.1
287.14035	3.0
289.11835	27.7
296.09308	2.3
303.13367	25.7
304.11728	13.2
313.11801	7.5
321.14539	12.2
331.12903	24.4
332.11276	2.5
349.07074	4.3
349.13937	86.9
350.14401	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	349.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84536	0.3
69.63829	1.1
91.05486	1.5
92.05813	1.2
116.86604	0.2
119.04919	1.7
120.05270	1.9
151.07573	2.4
152.07904	3.5
163.41153	0.3
187.09445	5.6
330.75113	0.3
349.14694	100.0
350.14975	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1759
Annotation	Imidocarb
Peak:m/z	Relative Intensity
50.14773	0.9
55.01866	1.1
55.05514	5.7
56.96558	1.2
57.07065	3.0
59.35259	1.0
62.85327	0.9
67.05505	7.3
69.07073	7.8
69.74717	3.6
71.04984	1.3
74.89129	0.8
79.05503	7.6
81.07060	11.7
83.04970	2.8
83.08598	3.4
85.06537	1.3
91.05474	3.9
93.07049	6.9
95.04998	2.0
95.08614	8.2
97.06457	1.1
105.07034	5.0
107.04910	1.2
107.08613	6.9
109.06524	9.9
109.10142	3.2
111.08067	2.2
117.07012	1.0
119.08556	3.7
121.06449	1.4
121.10135	4.8
121.93483	1.0
122.07217	1.2
123.08074	43.9
123.11691	1.4
124.08439	0.9
125.09618	1.0
131.08588	2.1
133.10110	3.9
135.08038	3.6
135.11682	1.6
137.09596	3.2
145.10114	1.7
147.11658	2.9
149.09576	2.9
149.13225	1.5
159.11668	2.2
161.13271	1.8
171.11746	1.4
173.13286	1.1
179.14311	26.6
251.10262	5.2
265.11777	25.2
266.12143	2.5
275.20038	5.0
286.30136	1.3
293.21115	10.0
306.14371	1.1
331.26193	2.1
348.33826	7.1
349.17358	100.0
349.27347	83.1
349.34048	2.4
350.17831	7.5
350.27679	4.4
367.17770	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	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74395	4.9
56.96566	11.1
57.02853	5.0
57.07090	6.2
67.05483	5.6
70.06590	13.9
70.53725	7.6
71.08641	6.2
81.07063	6.6
83.30056	5.3
88.07640	12.8
89.07951	8.5
102.09206	6.1
110.97580	10.4
116.89610	5.2
121.98573	4.9
123.08109	6.1
128.98628	10.5
132.48497	4.8
156.86560	5.5
171.11925	11.4
179.14258	7.0
215.02303	14.5
229.07446	9.3
239.05949	5.6
257.07001	16.5
258.07755	17.5
276.08871	7.1
285.29904	8.6
286.30008	31.8
331.15787	15.4
333.34323	5.9
348.33783	100.0
349.16650	79.8
349.23480	21.2
349.27298	9.9
349.33878	27.5
350.23969	6.8
367.17938	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.6
55.05510	16.0
56.18357	2.3
56.96575	22.8
57.03440	17.5
57.07079	4.2
67.05503	31.5
69.07061	20.3
71.04980	4.5
71.45498	2.6
71.95275	2.8
79.05496	26.7
81.07054	35.7
83.04974	8.3
83.08620	5.3
87.99998	2.3
91.05482	26.1
93.07045	40.0
95.04981	9.2
95.08606	25.6
97.06537	6.5
97.10152	3.1
104.99267	3.9
105.07021	25.2
107.04960	12.1
107.08603	22.2
107.24341	2.4
109.06519	13.8
109.10183	9.3
111.08112	2.7
114.46325	2.6
117.07036	10.1
119.08598	20.6
121.06503	10.1
121.10110	13.3
123.08105	9.3
123.11732	5.8
128.07103	3.4
131.08537	17.3
133.06508	4.5
133.10094	17.0
135.08069	4.7
135.11700	6.0
137.05969	2.8
137.09650	5.6
143.08554	3.8
145.10123	10.5
147.11716	14.1
149.09630	9.3
151.11185	7.3
155.08508	4.9
157.10089	3.0
159.11681	7.0
161.09624	4.0
163.11197	5.3
171.11928	6.4
173.09621	4.5
173.13287	3.2
175.11290	3.0
177.12759	3.4
181.05513	2.4
189.00522	2.9
189.12625	2.5
199.02754	3.6
199.06418	5.8
201.12726	4.4
213.07991	19.7
217.07457	5.1
219.13870	7.8
229.07471	39.9
231.09026	19.0
239.17990	4.7
243.09036	13.7
247.08536	19.5
247.20551	5.1
252.09103	4.0
257.18948	14.9
261.10040	3.9
266.10736	4.0
266.97342	3.2
269.10617	3.4
275.17062	5.5
275.20065	100.0
276.20453	8.5
293.21136	11.1
315.19611	4.4
330.98883	3.1
331.15665	4.4
349.16748	39.9
349.23553	61.5
349.27762	5.3
350.24023	4.0
357.33231	2.6
367.17957	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	21.4
56.96563	38.4
65.34476	8.8
66.69888	8.7
67.05509	49.3
69.03394	9.1
69.07065	27.3
69.73385	38.8
79.05502	17.1
81.07049	41.1
86.09700	54.6
89.03911	25.6
91.05476	27.7
93.07040	47.0
95.04984	12.3
95.08587	33.3
97.06499	10.1
98.22749	22.6
102.83239	9.9
104.99169	9.6
105.03392	86.5
105.07050	39.6
107.08610	25.5
109.06539	22.3
115.05457	47.1
115.66067	9.1
117.07001	11.1
119.08595	19.2
121.06509	11.8
121.10139	13.6
131.08586	19.9
133.10158	37.8
135.08119	15.1
135.11595	11.6
140.08682	9.9
143.04927	100.0
145.10048	11.8
147.11679	19.1
149.09590	15.9
151.11214	11.1
159.11745	18.0
207.14998	14.3
228.13873	14.1
229.07207	12.5
233.12938	10.9
255.09109	14.3
257.18887	14.2
269.10574	22.2
275.20062	95.2
287.11404	11.8
293.21133	14.4
300.92123	11.6
309.13770	20.4
329.78293	12.6
349.17148	34.1
349.19656	37.9
349.23749	24.2
349.27377	14.4
367.17978	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	349.1781
Annotation	Imidocarb
Peak:m/z	Relative Intensity
55.05509	8.8
56.96570	17.8
57.03435	6.9
67.05508	12.6
69.07069	5.0
69.11724	24.0
79.05489	16.0
81.07059	23.6
83.05029	3.9
83.08644	6.8
91.05489	14.6
93.07035	16.6
95.04999	3.3
95.08611	8.2
98.22656	5.2
105.03419	6.7
105.07070	10.3
107.04980	4.5
107.08585	9.4
109.06518	7.3
109.10149	5.3
111.91575	3.2
119.08603	10.5
121.10137	5.1
123.08099	6.8
131.08580	7.2
133.10172	7.6
135.08054	4.4
135.11737	6.1
145.10123	5.9
147.11681	6.8
149.05989	13.8
149.09573	4.0
155.08603	4.2
159.11711	6.6
179.14412	4.2
219.17517	16.5
221.76656	3.5
228.23283	10.0
238.74690	3.4
261.44769	4.2
275.20111	14.4
331.15829	22.8
349.18661	100.0
349.23676	9.9
349.27448	4.5
350.19049	7.8
350.26877	10.2
367.17770	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05486	0.4
56.96558	0.9
63.02377	0.9
65.03931	3.6
67.05493	0.8
69.07058	1.8
70.33051	0.7
75.02364	1.0
77.03925	1.3
79.05500	0.6
81.07043	1.3
86.09707	41.9
87.02355	0.6
87.10030	0.6
89.03919	16.3
90.04243	0.6
91.05452	0.6
93.07031	0.7
95.04961	5.3
95.08641	0.6
103.16702	0.4
105.03394	66.3
105.04521	2.7
105.07007	0.8
106.03748	2.1
107.08587	0.6
109.10114	0.5
115.05458	47.1
116.05804	1.4
119.08550	1.0
122.06034	0.9
123.08039	0.8
133.10130	0.7
134.06007	1.3
143.04919	100.0
144.05280	3.2
159.04251	0.6
171.12006	0.5
177.16371	0.7
179.14290	0.7
189.60295	0.4
190.12279	12.4
207.14931	16.5
208.15277	0.7
214.11801	1.6
228.13840	9.7
229.14151	0.8
233.12856	9.1
254.94322	0.5
292.68680	0.5
313.13058	0.4
315.19495	1.3
331.18091	1.4
349.19211	26.7
350.19620	1.5
367.18030	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1985
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
57.03426	1.2
67.05502	1.3
69.07035	0.6
70.19521	1.1
79.17056	0.6
79.32623	0.5
81.07050	1.3
90.99240	0.5
91.05483	0.7
95.08611	1.0
98.22861	1.0
104.99232	0.6
105.07035	1.4
107.08585	1.2
113.05984	0.6
119.08624	1.0
121.10149	0.8
145.10094	0.9
195.09860	0.7
261.14722	2.6
275.20013	0.6
336.62076	0.7
349.19858	100.0
350.20215	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21014	0.5
59.93088	0.5
67.05503	0.7
69.59153	1.6
74.80695	0.5
75.53633	0.5
89.05016	0.5
91.64471	0.5
98.22746	0.9
194.03476	0.6
225.10970	1.9
261.14685	2.1
263.12411	0.6
276.38086	0.5
313.17603	0.7
331.18945	0.9
349.19849	100.0
350.20093	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	349.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
56.19865	0.3
57.07068	1.0
58.11865	0.2
63.83022	0.3
67.05502	1.0
67.54205	0.2
69.07066	1.1
71.08642	0.3
71.11543	0.5
74.70840	0.3
75.26740	0.2
79.05502	0.9
81.07070	1.8
83.08623	0.4
85.06573	0.4
89.80181	0.2
91.05482	0.6
93.07049	0.8
95.04967	0.5
95.08628	1.4
97.06564	0.3
97.10188	0.3
104.99243	0.5
105.07075	0.6
107.08591	1.1
109.06512	3.2
109.10172	0.7
109.51786	0.3
119.08575	0.6
121.10141	1.0
122.07312	0.4
123.08075	7.2
124.08369	0.3
133.10144	0.4
135.08054	0.7
135.11716	0.4
137.09654	0.3
145.10220	0.4
147.11665	0.3
149.20921	0.3
179.14319	15.6
191.57928	0.3
209.70969	0.3
286.30176	0.7
293.21075	1.1
331.26321	0.7
348.15576	0.3
348.33627	1.6
349.19891	100.0
349.26865	19.3
350.20200	6.4
350.27481	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26610	0.4
55.72001	0.4
57.21135	0.3
59.59841	0.3
65.59429	0.4
67.58781	0.4
70.53377	0.7
74.64236	0.3
79.05479	0.4
81.07064	0.8
87.56264	0.4
104.99261	0.4
107.08606	0.9
133.10175	0.4
137.05779	0.7
180.94679	0.4
206.22630	0.4
221.11549	0.7
225.11034	1.4
233.78651	0.4
261.14664	3.1
280.12866	1.1
331.18744	0.5
349.19873	100.0
350.20187	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	349.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07424	0.4
59.79343	0.4
67.05503	0.5
69.92382	1.5
70.06590	0.8
71.53365	0.4
75.10668	0.5
79.05506	0.5
81.07076	0.6
83.45125	0.4
95.08599	0.5
104.99252	0.5
105.07041	0.5
107.08606	0.4
128.30405	0.4
132.10193	0.9
133.10085	0.4
137.05742	1.0
145.10069	0.5
221.11511	2.8
235.13037	1.1
251.12534	1.3
257.18903	0.5
275.20093	0.6
286.27438	0.8
287.27734	1.4
288.23093	0.6
331.18982	0.5
348.31030	2.2
349.19846	100.0
349.31183	2.7
350.20169	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	349.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	0.6
59.63592	0.3
89.06038	0.5
93.07010	0.5
125.65434	0.4
139.08932	0.3
140.25638	0.3
148.17357	0.3
209.11569	0.6
249.36327	0.3
263.03287	0.4
349.23508	100.0
350.23886	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07076	2.7
70.55422	0.5
71.08627	1.6
78.28163	0.4
79.05468	0.7
81.07059	0.7
85.10181	1.6
88.11260	0.5
89.06033	2.2
91.05493	0.6
93.07034	1.1
95.08611	0.7
98.22695	1.1
101.47098	0.5
105.07042	1.0
107.07040	0.5
107.08631	0.6
109.06506	1.2
121.10092	0.6
123.08070	2.4
133.08600	0.8
179.14267	3.2
195.12297	1.4
237.16771	0.6
252.66371	0.5
347.68210	0.5
349.23480	100.0
349.27200	5.8
350.23785	8.3
350.27673	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.3
55.01873	5.6
55.05509	24.8
56.96572	1.6
57.03439	47.4
57.07067	3.4
65.03957	2.6
67.01765	1.5
67.05504	54.6
67.05866	2.9
68.52761	1.4
69.03429	2.2
69.07069	20.7
69.83569	3.2
69.83933	3.0
70.79194	1.3
71.04992	3.0
77.03938	1.5
79.05492	56.5
81.03390	2.6
81.07059	54.4
83.04974	9.6
83.08622	10.1
85.06550	11.3
88.06734	1.6
91.05481	63.5
92.05833	1.7
92.26896	1.4
93.07045	62.2
94.07389	1.9
95.04976	12.8
95.08608	41.7
95.09224	2.5
96.08885	1.6
97.06532	8.1
97.10168	6.0
98.22779	2.2
98.58506	1.4
99.04440	7.5
99.08092	2.1
99.93755	1.5
104.79418	1.5
104.99323	1.9
105.04577	3.5
105.07027	56.9
106.07394	2.7
107.04940	7.4
107.08592	36.4
108.08946	2.0
109.06509	14.2
109.10141	14.8
110.04810	1.6
111.08081	6.3
116.06285	1.5
117.07014	23.0
119.08582	45.8
121.06547	4.9
121.10158	19.9
123.08077	7.1
123.11686	3.0
125.09634	4.1
128.06248	1.5
129.07025	6.2
131.08572	37.0
133.10132	38.5
135.08037	7.9
135.11685	11.3
137.09654	4.7
143.08574	8.2
145.10129	34.5
147.08044	1.9
147.11688	20.6
149.09644	9.6
149.13255	3.8
151.11191	2.1
153.12773	3.8
157.10123	7.2
159.11690	21.1
161.09598	2.2
161.13307	7.1
163.11221	5.7
163.14827	2.1
169.10114	3.5
171.11737	6.4
173.13202	9.2
175.11211	2.5
175.14833	3.1
177.12720	4.3
183.11728	4.5
185.13364	5.5
195.09938	1.5
197.13295	3.6
197.27469	1.6
201.16458	5.8
203.14355	5.4
205.16014	1.6
209.15375	3.0
211.14774	2.0
213.16370	2.7
219.17438	100.0
220.17789	7.6
225.11031	1.8
229.19498	3.1
239.17960	6.8
247.20621	2.3
257.19009	19.4
275.20053	47.9
276.20432	3.9
293.21246	1.7
301.22308	1.6
331.19064	1.6
331.22739	2.9
349.19778	90.4
349.23807	76.0
350.20084	6.9
350.24213	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01871	12.6
55.05260	2.9
55.05513	50.3
56.05815	1.6
57.03436	16.4
57.07070	2.7
59.05002	1.7
65.03948	2.6
67.05164	3.0
67.05505	51.6
68.05860	1.3
69.03421	4.4
69.07069	16.0
71.04986	5.5
77.03870	1.4
79.05494	100.0
80.05815	2.5
81.03411	4.8
81.07058	43.2
83.04984	27.1
83.08617	12.3
85.06546	4.0
91.05474	40.6
93.07043	64.0
95.04963	11.5
95.08604	21.5
97.06541	5.8
97.10171	12.2
103.05409	1.5
105.04511	3.3
105.06335	2.7
105.07025	36.4
107.04952	31.8
107.08592	61.8
108.08925	1.5
109.06506	6.3
109.10161	23.1
111.08090	4.4
115.05439	2.3
117.07029	14.7
119.08583	22.4
121.06483	5.2
121.10146	23.8
123.08076	3.5
123.11692	5.1
125.09634	16.8
129.07037	3.2
131.08569	14.9
133.06427	1.8
133.10135	24.7
135.08057	7.5
135.11687	6.0
137.09572	1.8
143.08627	2.7
145.10121	14.0
147.11681	13.5
149.09625	52.0
149.13234	3.4
153.09079	2.8
155.08554	1.4
157.10114	2.4
159.11676	7.9
161.13243	5.6
162.48648	1.4
163.11182	4.3
163.14841	5.7
169.10080	1.6
169.12219	6.9
171.11711	3.2
173.11728	4.7
173.13281	6.4
175.11266	2.3
177.12741	2.9
179.14304	3.7
187.11095	2.3
187.13271	1.9
187.14925	2.0
189.11217	9.3
189.28174	2.0
191.14259	2.9
197.13173	1.5
209.15419	7.7
229.19440	4.2
233.15355	1.9
239.17813	2.7
247.20569	4.0
257.18954	10.5
275.17032	2.3
275.20071	44.5
276.20404	1.9
349.19647	3.9
349.23706	49.8
349.28024	1.8
349.33307	1.5
350.24133	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	349.2375
Annotation	2-O-Methylfloridicin
Peak:m/z	Relative Intensity
53.03946	2.9
55.01882	2.8
55.05517	9.9
56.96571	2.6
57.03178	2.6
57.03438	32.9
67.05503	26.4
69.03435	2.8
69.07049	9.0
71.04990	2.8
79.05503	24.2
81.03440	1.4
81.07067	24.3
83.04973	3.2
83.08602	5.5
85.06541	9.0
91.05477	35.7
93.07051	29.3
95.04967	9.1
95.08620	17.5
96.94258	1.5
97.06522	5.0
97.10185	2.1
99.04453	4.6
103.25313	1.5
104.99248	1.8
105.04540	2.1
105.07008	24.2
107.04964	4.4
107.08590	17.8
109.06516	12.4
109.10152	8.3
111.08099	2.6
117.07016	10.7
119.08592	22.9
121.06496	3.4
121.10169	12.3
121.17471	1.5
123.08051	5.7
123.11710	2.9
129.07057	3.1
131.08583	17.0
133.10106	17.0
135.08066	5.6
135.11699	3.6
137.09619	1.9
143.08554	3.8
145.10129	12.4
147.11662	6.0
153.12738	3.5
155.08629	2.5
157.10085	3.1
159.11674	6.3
161.09630	2.8
161.13237	1.9
171.11890	5.3
173.13292	4.6
183.11621	3.5
185.13283	4.2
189.12680	1.7
193.10187	2.3
197.13338	1.8
201.16350	6.3
203.14285	3.5
219.17444	100.0
220.17772	5.0
221.13310	2.6
239.23763	1.7
257.19067	3.3
275.20102	12.4
286.30042	2.0
349.16336	2.8
349.19974	7.2
349.23666	20.9
349.27777	3.5
349.33978	5.3
367.17950	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	349.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25290	1.1
52.62795	1.0
53.03955	2.6
55.01876	3.6
55.05514	16.9
55.71644	1.0
57.03439	32.2
57.07088	1.8
60.73742	1.0
61.00774	1.3
65.03945	3.3
67.05507	31.6
69.03438	2.3
69.07063	14.9
69.52229	3.7
71.05002	3.0
77.03907	1.8
79.05495	36.5
81.07056	33.4
81.07499	2.2
83.04975	3.5
83.08614	8.4
85.06551	5.7
91.05481	52.6
92.05820	2.7
93.07047	40.6
95.04971	7.0
95.08608	30.2
97.06544	6.4
97.10184	2.5
99.04427	1.4
99.08105	3.0
105.04522	2.1
105.07033	68.2
106.07382	1.9
107.04942	2.3
107.08594	32.9
109.06503	5.9
109.10164	9.5
111.08102	3.6
115.05448	3.8
117.07022	25.1
118.07347	1.2
119.08581	49.0
121.06530	6.5
121.10138	10.6
123.08076	4.3
123.11725	2.7
125.09638	2.6
128.06197	2.8
129.07004	10.6
130.07857	2.0
131.08569	35.1
132.08896	2.1
133.06551	2.1
133.10124	27.6
135.08063	3.6
135.11699	7.4
137.09575	2.4
141.06982	3.6
142.07764	1.8
143.08583	11.3
144.09219	1.4
145.10123	46.1
146.10422	1.3
147.08017	2.3
147.11679	26.6
149.09636	4.8
149.13240	2.0
155.08594	4.6
157.10138	15.0
159.11697	44.3
160.12007	2.1
161.09663	4.2
161.13249	11.3
163.11214	4.3
169.10133	5.3
171.11687	9.9
173.09784	1.6
173.13239	15.3
174.13612	1.5
175.11197	3.2
175.14790	6.1
177.12788	1.9
183.11678	7.3
185.13245	19.8
187.11174	2.8
187.14821	3.3
189.12721	2.3
191.14317	3.2
197.13281	5.0
199.14919	1.6
201.12781	2.1
201.16437	2.9
203.14297	9.3
211.14838	3.7
215.14442	1.3
215.18010	1.5
219.17445	14.2
220.17683	2.5
221.15411	2.0
225.10976	2.2
227.17969	1.4
229.19585	6.6
239.17943	13.3
240.18201	1.5
251.12459	2.5
257.19016	34.8
258.19382	1.6
269.19073	2.1
275.20065	30.7
276.20557	3.5
277.17978	2.1
285.18484	2.0
313.17911	2.3
331.22693	3.6
333.20456	6.6
349.19803	100.0
349.23792	81.4
350.20108	9.2
350.23984	6.6
364.00015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.6
57.07074	38.4
67.05509	25.4
69.03429	5.9
69.07067	25.7
69.59444	7.2
69.59789	11.4
71.04994	7.1
71.08630	22.9
76.06949	3.7
77.03872	3.6
79.05489	27.3
81.07055	48.3
83.04983	5.4
83.08617	8.4
85.10188	13.5
89.06029	10.1
91.05477	47.5
93.07047	66.9
95.04977	33.6
95.08598	35.6
97.06549	15.6
98.22695	4.4
105.07027	83.6
107.08594	48.6
109.06521	31.0
109.10172	36.1
111.08077	4.7
115.05476	6.1
115.11375	3.9
117.07021	19.0
119.08593	73.2
121.06512	8.6
121.10149	73.1
123.08080	64.1
123.08899	5.6
123.11720	9.1
129.07022	9.8
130.07809	7.4
131.08556	43.1
133.08607	5.0
133.10136	48.3
135.08087	18.1
135.11714	16.6
137.09633	8.2
141.06984	6.6
142.07800	15.1
143.08568	20.9
144.09334	7.4
145.10132	47.0
146.07254	5.1
147.08012	6.0
147.11707	15.8
149.09659	7.0
151.09650	18.7
153.07097	5.2
155.08563	12.9
156.09360	7.9
157.10112	30.6
158.10944	8.4
159.08058	5.0
159.11665	23.6
161.09602	19.8
161.13287	9.9
163.11279	4.1
167.08597	4.6
168.09409	5.3
169.10196	12.5
170.10909	6.0
171.11726	15.9
173.13295	14.3
175.11264	4.8
175.14825	8.9
179.08568	5.0
179.14316	72.9
181.10107	4.5
183.11740	14.1
185.13257	10.7
187.14835	15.0
194.10968	10.6
195.11594	6.4
196.12451	3.9
197.13194	6.0
199.14812	4.8
209.13281	12.8
211.14824	7.3
239.17996	6.6
293.21198	10.7
297.63171	3.6
333.30063	7.9
349.27667	100.0
350.27832	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	349.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	23.6
57.07074	38.4
67.05509	25.4
69.03429	5.9
69.07067	25.7
69.59444	7.2
69.59789	11.4
71.04994	7.1
71.08630	22.9
76.06949	3.7
77.03872	3.6
79.05489	27.3
81.07055	48.3
83.04983	5.4
83.08617	8.4
85.10188	13.5
89.06029	10.1
91.05477	47.5
93.07047	66.9
95.04977	33.6
95.08598	35.6
97.06549	15.6
98.22695	4.4
105.07027	83.6
107.08594	48.6
109.06521	31.0
109.10172	36.1
111.08077	4.7
115.05476	6.1
115.11375	3.9
117.07021	19.0
119.08593	73.2
121.06512	8.6
121.10149	73.1
123.08080	64.1
123.08899	5.6
123.11720	9.1
129.07022	9.8
130.07809	7.4
131.08556	43.1
133.08607	5.0
133.10136	48.3
135.08087	18.1
135.11714	16.6
137.09633	8.2
141.06984	6.6
142.07800	15.1
143.08568	20.9
144.09334	7.4
145.10132	47.0
146.07254	5.1
147.08012	6.0
147.11707	15.8
149.09659	7.0
151.09650	18.7
153.07097	5.2
155.08563	12.9
156.09360	7.9
157.10112	30.6
158.10944	8.4
159.08058	5.0
159.11665	23.6
161.09602	19.8
161.13287	9.9
163.11279	4.1
167.08597	4.6
168.09409	5.3
169.10196	12.5
170.10909	6.0
171.11726	15.9
173.13295	14.3
175.11264	4.8
175.14825	8.9
179.08568	5.0
179.14316	72.9
181.10107	4.5
183.11740	14.1
185.13257	10.7
187.14835	15.0
194.10968	10.6
195.11594	6.4
196.12451	3.9
197.13194	6.0
199.14812	4.8
209.13281	12.8
211.14824	7.3
239.17996	6.6
293.21198	10.7
297.63171	3.6
333.30063	7.9
349.27667	100.0
350.27832	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
53.03954	0.4
54.01229	0.3
55.05515	3.5
55.07841	0.3
57.03418	0.4
57.07085	2.6
59.04984	0.5
67.05511	3.4
69.07071	6.9
71.04983	0.8
71.08609	1.1
72.62506	0.3
73.06551	0.5
79.05101	0.5
79.05495	2.6
81.07063	6.9
83.04965	0.9
83.08612	2.4
85.06506	0.6
91.05485	1.8
93.07045	2.9
95.08604	6.8
97.06514	1.4
97.10166	0.6
99.08096	0.5
105.07030	2.1
107.08600	3.9
109.06525	11.4
109.10171	2.5
111.08097	1.4
111.11750	0.4
117.96278	0.3
119.08604	2.7
121.10143	3.6
122.07317	0.6
122.20450	0.3
123.08069	47.1
123.11691	1.4
124.08414	1.3
124.94382	0.3
125.09630	0.4
131.08676	0.4
133.10097	1.8
133.26031	0.3
135.08055	3.7
135.11684	1.5
136.08748	0.4
137.09612	2.6
137.13217	0.5
141.66589	0.3
145.10147	0.9
147.11668	1.5
149.09654	0.9
149.13266	1.6
151.11169	0.7
159.11736	0.7
161.13263	0.9
165.12778	0.5
167.14297	0.5
173.13281	0.4
175.14841	0.7
177.12627	0.4
179.14307	33.6
180.14655	2.3
193.15891	1.3
233.18877	0.5
235.09592	0.4
239.49486	0.3
247.20583	0.5
275.20068	1.0
289.25281	0.4
293.21100	12.6
294.21436	1.3
307.22791	0.6
331.26309	3.2
332.27118	0.4
349.27371	100.0
350.27658	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2742
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01882	0.4
55.05293	0.4
55.05517	3.9
57.07068	1.3
59.04990	0.6
67.05510	3.9
69.06710	0.5
69.07075	8.4
69.48037	0.5
69.48441	1.0
71.04993	1.0
71.08638	0.4
79.05494	2.9
81.07060	7.5
83.04980	0.6
83.08628	3.2
85.06553	0.5
91.05479	1.3
93.07047	4.4
95.04985	0.7
95.08609	5.6
96.09039	0.3
97.06552	1.5
97.10166	0.9
99.08112	0.4
101.06036	0.3
105.07024	1.9
107.08604	4.2
109.06527	9.2
109.10165	3.6
111.08098	2.2
117.07002	0.3
119.08590	3.1
121.06519	0.4
121.10155	2.9
122.07302	0.7
123.08076	54.9
123.11667	1.5
124.08409	1.6
125.09639	0.5
131.08585	0.8
133.10129	2.2
135.08063	4.1
135.11684	1.7
136.08768	0.3
137.09641	2.6
137.13277	0.7
145.10121	1.0
147.11693	1.2
149.09650	1.0
149.13284	1.6
152.90172	0.3
159.11732	1.1
161.13275	1.1
163.11252	0.5
163.14864	0.3
165.12759	0.4
173.13297	0.5
175.14810	0.5
177.12775	0.7
179.14322	7.7
187.14886	0.4
232.84468	0.4
233.19092	0.7
247.20572	0.4
261.22205	0.4
275.20117	1.4
281.21252	0.4
289.25220	0.6
293.21136	14.7
294.21512	1.0
303.26917	0.7
307.22772	0.9
313.25159	0.3
328.93710	0.4
331.26260	2.5
333.32703	0.4
349.27393	100.0
350.27762	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	349.2739
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05497	1.9
57.06824	0.4
57.07075	5.3
67.05504	3.5
69.07082	2.1
69.75301	0.7
69.75689	0.6
71.04987	0.4
71.08628	2.7
73.48873	0.4
79.05478	1.7
81.07058	4.8
83.04971	0.6
83.08619	0.6
85.06544	2.1
91.05463	0.9
93.07052	2.6
95.08595	5.5
99.08085	2.0
105.07015	1.7
107.08611	2.3
109.06518	17.7
109.10151	1.8
110.06853	0.4
111.08120	0.7
117.69473	0.3
119.08579	1.9
121.10123	1.8
122.07270	1.6
123.08067	23.6
123.11681	0.6
124.08396	0.7
131.08539	0.7
133.10112	1.6
135.08028	2.9
135.11713	0.4
136.08911	0.4
137.09634	1.0
145.10179	0.5
149.09612	0.4
151.09738	0.4
159.11728	0.5
165.12718	0.7
167.14297	0.7
179.14305	100.0
180.14653	4.4
193.15878	2.9
232.88092	0.4
289.25391	0.4
293.21152	0.4
331.26175	2.2
349.27374	83.5
350.27686	7.1
364.86514	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.8
57.07077	41.5
58.07396	0.6
59.04987	0.6
67.05499	1.5
69.03427	0.4
69.07061	2.7
71.08631	25.2
72.61623	0.4
73.06545	2.5
79.05499	1.2
79.34689	0.4
81.07060	2.0
83.08602	2.3
85.10181	19.4
86.10499	0.5
87.04475	2.0
89.06031	100.0
90.06355	1.5
91.05466	1.8
91.07613	0.4
93.07043	2.5
95.04964	1.2
95.08592	1.6
97.06562	0.4
97.10148	2.2
97.19575	0.4
99.11736	3.4
105.07027	3.2
107.07070	6.1
107.08582	1.8
109.06522	1.2
109.10156	1.5
113.13268	1.3
115.87406	0.4
117.07030	0.5
117.09199	0.5
119.08566	3.1
121.10140	2.7
121.90910	0.4
123.08070	2.7
123.11727	0.6
130.08632	2.3
131.08565	1.6
133.08609	31.7
133.10184	1.6
134.08916	0.7
135.08128	0.8
135.11694	0.5
143.08527	1.0
145.10121	1.6
149.09625	0.6
151.09648	4.3
155.17952	1.7
157.10159	1.0
159.11794	0.5
161.09633	0.8
169.10143	0.6
171.11716	0.6
177.11229	7.1
179.14305	3.4
187.14790	1.3
195.12283	26.4
196.12737	0.8
198.14871	0.5
199.20639	0.9
209.13283	0.7
214.74373	0.4
216.89919	0.4
243.23265	1.8
293.20926	0.5
296.30960	0.4
305.26996	0.4
323.90607	0.4
349.23438	0.7
349.27344	3.4
349.29581	3.6
350.27750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02798	0.6
55.01864	0.6
55.05501	1.1
57.03430	0.6
58.12992	0.5
64.95126	0.5
67.05488	1.5
68.05046	0.6
69.03421	0.8
69.07052	1.0
69.97678	1.6
70.06589	5.5
71.04988	2.0
75.71220	0.5
79.05489	2.3
80.05018	2.0
81.05798	7.1
81.07053	4.0
83.03728	1.1
84.04514	2.9
84.08133	2.3
87.17892	0.5
91.05462	1.1
93.07039	1.7
94.06564	6.8
95.04971	1.2
95.07344	12.4
95.08607	1.0
96.04468	1.1
96.08118	2.4
98.06068	0.9
99.06843	1.3
105.07082	0.8
107.08601	0.7
108.08112	7.6
109.06490	1.0
109.08894	19.2
109.10081	0.8
110.06004	0.5
111.06821	0.8
112.07604	6.7
120.08112	3.3
120.08849	0.7
121.06479	2.5
122.06030	1.4
122.09633	2.7
123.06803	6.0
123.10422	1.5
124.11240	0.7
126.02221	0.9
126.09124	0.7
127.09939	0.5
131.08565	0.7
133.10233	1.2
134.09697	1.2
135.10382	0.6
136.07555	4.0
137.08348	100.0
138.08673	3.5
140.07040	3.7
145.10152	0.7
148.11182	2.2
155.09407	9.9
162.12769	1.2
176.10732	1.7
176.14285	0.8
177.15100	1.7
204.13776	0.7
205.14594	8.4
219.17441	0.7
223.15662	0.8
223.26414	0.6
264.83871	0.5
269.18750	0.7
275.20068	1.0
281.16104	0.5
315.19452	0.7
332.05002	4.6
333.20453	1.2
349.16302	0.7
349.19925	9.1
350.20416	5.3
350.24103	1.0
351.21460	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43528	0.6
66.51101	0.6
71.45879	0.6
82.99840	0.6
88.59476	0.6
91.05470	1.1
98.97620	0.8
99.48454	0.6
100.70429	0.6
101.00880	6.9
113.00871	5.0
119.01923	20.0
119.04912	0.9
120.01998	1.3
121.06496	0.7
127.82775	0.6
131.01915	12.8
133.29720	0.6
136.06187	30.3
137.02953	3.9
139.02451	1.1
140.93159	0.5
143.01875	2.0
149.02965	0.6
151.07486	0.7
155.01868	1.1
157.03479	12.0
158.03441	1.1
161.02991	3.5
167.01920	3.8
173.02977	2.4
175.04503	3.5
176.04170	21.5
177.04301	1.2
185.02945	11.2
186.03055	1.1
191.04158	0.8
194.05244	38.5
195.05399	2.9
203.04210	0.8
204.03799	1.0
212.06297	4.2
215.04068	1.0
217.04512	0.8
218.05238	30.7
219.05330	2.0
222.04716	1.2
230.05229	25.0
231.05513	1.6
232.06711	1.4
233.05042	2.7
236.06282	13.8
237.06548	1.2
244.06801	1.3
246.04903	0.9
248.06303	8.7
249.06433	0.7
254.07538	3.1
260.06354	0.9
278.07321	1.2
308.08350	6.1
309.08688	1.1
326.09518	5.6
350.09454	100.0
351.09735	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	350.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56464	0.6
61.75277	0.5
69.03436	0.5
70.72500	0.9
77.31908	0.4
78.97634	0.4
82.99864	1.0
87.94724	0.5
94.99855	0.8
101.00885	10.3
102.00955	0.8
104.31699	0.5
109.05148	0.7
113.00871	6.9
115.02409	0.5
119.01923	19.9
122.61130	0.5
131.01906	13.1
132.02008	0.6
136.06186	37.4
137.02972	2.6
137.06578	0.7
139.02412	1.4
143.01924	2.4
155.01912	3.3
157.03473	13.9
158.03426	0.7
159.03893	0.5
160.36066	0.5
161.02991	4.7
167.01909	4.4
168.02122	0.5
173.02985	3.0
175.04507	3.5
176.04185	23.9
177.04393	1.5
185.01439	0.9
185.02971	13.0
186.03152	0.9
191.04167	0.9
194.05247	45.4
195.05362	2.4
203.04100	1.7
204.03761	2.1
209.05272	1.1
212.06273	3.9
215.04082	1.5
217.04425	1.4
218.05237	42.5
219.05380	3.4
221.05386	0.5
222.04793	1.8
230.05231	32.6
231.05414	2.1
232.06886	1.2
233.05035	2.7
236.06281	15.6
237.06549	1.0
244.06834	1.0
246.04776	2.3
248.06320	8.8
249.06519	0.6
254.07350	4.4
260.06326	1.3
264.05750	0.9
278.07367	0.9
308.08411	7.3
309.08478	0.6
326.09464	7.2
327.09549	0.9
340.51459	0.5
350.09454	100.0
351.09674	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	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46660	1.0
55.01862	1.7
56.05042	1.1
58.28113	1.0
61.02906	2.0
65.03932	4.8
69.03422	4.2
70.06566	2.0
72.39034	1.0
81.03413	1.6
83.04971	1.7
84.04543	1.4
85.02912	12.3
88.31601	1.0
91.03899	1.4
91.05432	1.2
93.03399	3.7
97.02888	3.7
99.04459	1.2
102.05553	1.1
109.02882	1.8
111.04443	26.6
119.04917	1.7
121.03974	3.9
124.54312	1.0
127.03897	2.6
135.04347	1.0
135.78085	1.2
139.03897	74.0
140.04283	1.4
145.04945	3.8
156.04167	2.9
171.06526	100.0
172.06821	2.8
180.08699	1.2
212.06764	1.2
310.33945	1.1
350.15857	1.7
351.10541	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	350.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02137	1.0
55.05505	9.0
65.03935	1.1
67.05510	9.0
69.03453	1.1
69.07072	4.1
69.30801	5.5
70.39488	1.0
71.01328	1.0
79.05484	12.7
81.07053	55.5
83.08623	2.6
88.03989	3.0
91.05473	17.6
93.07041	32.0
93.83229	1.0
95.04967	3.3
95.08604	38.9
95.09214	2.0
96.08964	1.5
97.06541	5.5
97.10181	1.7
103.05476	1.4
105.07023	47.8
106.07382	1.3
107.08588	42.9
108.08937	1.5
109.06506	4.3
109.10168	9.2
117.07016	3.7
119.08575	100.0
120.08904	2.2
121.06525	5.2
121.10146	12.7
123.08070	17.0
123.11673	1.9
125.09630	4.5
129.06969	1.3
131.08572	6.5
133.10123	45.7
134.04504	2.3
134.10390	1.5
135.08055	2.4
135.11684	41.6
136.12013	1.4
137.09572	1.3
142.07756	2.5
143.08578	4.6
145.10127	6.1
147.08025	3.4
147.11684	18.0
157.10117	5.7
159.11684	17.3
160.12180	1.1
161.09622	6.3
161.13255	47.3
162.13608	1.7
171.11688	1.8
173.13258	1.8
175.11183	4.5
175.14853	2.3
189.12854	2.6
189.16373	75.1
190.16759	2.6
199.14813	5.5
217.15862	23.1
229.33549	1.0
286.18103	1.4
350.19846	31.0
351.21402	35.0
355.25507	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37376	0.4
55.49400	0.4
58.06600	5.2
65.03937	0.5
67.05475	0.5
71.01600	0.6
72.06509	0.4
72.08150	4.1
76.03981	0.6
79.98323	0.5
84.08144	3.9
85.02879	0.6
88.03990	5.8
88.88007	0.4
91.05478	8.4
100.07597	0.5
101.10883	0.5
107.04978	0.5
107.08627	0.6
109.10120	0.6
112.07541	0.6
112.11236	3.5
116.07127	0.6
119.04945	23.4
120.05280	0.7
125.09756	0.5
129.13866	0.5
130.08649	17.2
137.05965	0.9
147.04411	100.0
147.11243	1.6
148.04745	2.4
149.16238	0.6
152.06996	0.4
153.05383	0.5
153.09142	1.3
155.11775	0.5
159.11287	2.1
160.62683	0.4
170.06369	1.2
171.10179	1.8
176.93463	0.5
187.14410	17.7
188.14771	0.5
204.10205	38.6
204.17076	28.7
205.10538	1.8
205.17430	0.8
229.15469	1.1
270.11295	0.7
305.18127	0.6
332.19730	0.6
333.18103	17.5
334.18622	0.8
350.09149	1.5
350.20734	73.7
351.10449	6.8
351.14807	1.2
351.20969	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.4
61.74036	3.1
67.05487	7.5
69.03441	5.0
69.07063	4.6
69.51211	11.5
69.87426	3.7
71.04996	4.4
73.97768	3.4
79.05487	11.5
81.07045	11.0
85.02900	14.1
86.09708	85.2
91.05489	13.3
93.07053	76.6
95.08600	16.5
97.02899	4.4
97.06523	9.2
107.08604	100.0
109.10153	6.4
117.85326	3.3
120.08123	34.7
135.11702	84.4
136.12030	7.5
153.12726	24.1
157.13365	21.2
166.08611	30.6
185.12875	25.7
218.86847	3.7
237.12305	10.8
350.11993	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.05514	9.0
57.03442	1.9
58.37250	0.9
59.05013	2.2
60.04522	1.3
61.02927	1.8
62.26824	1.0
64.29572	0.9
67.05510	9.5
69.03426	3.7
69.07065	6.3
69.47276	2.8
71.04999	10.1
73.06963	1.0
79.05508	7.1
81.07056	19.3
83.04971	2.6
83.08627	11.0
85.02903	17.5
91.05479	5.5
93.06440	2.2
93.07043	44.6
94.07367	1.3
95.04997	1.4
95.08611	29.4
97.02907	3.4
97.05963	1.7
97.06537	19.8
98.23526	1.1
99.04520	1.1
101.09634	5.0
105.07028	1.7
106.59221	1.0
107.08596	56.4
108.08921	1.2
109.06522	1.2
109.10163	36.5
119.08615	2.2
120.08111	2.6
123.11703	17.9
127.03916	3.8
135.11696	100.0
136.12013	3.8
137.06003	1.5
138.05492	2.5
141.12755	3.0
145.04970	3.7
152.07056	5.6
153.09122	1.7
153.12752	52.2
154.13063	3.8
171.13809	56.5
172.14183	3.4
180.06537	10.3
198.07620	9.3
206.50789	1.2
267.19675	1.2
327.07660	1.7
350.12329	1.5
350.28845	2.9
351.14185	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.2
55.05511	4.2
57.03444	2.0
59.05006	1.4
61.02935	1.4
67.05509	11.6
67.43046	0.8
69.03433	4.6
69.07072	6.0
70.05489	1.6
71.05001	7.9
73.39963	0.9
79.05489	11.8
81.03403	0.9
81.07071	7.4
83.04990	1.6
83.08626	2.6
85.02911	12.8
85.06533	1.1
86.09702	2.5
91.05485	3.5
91.31265	0.8
93.07047	30.0
94.07375	1.1
95.04976	1.3
95.08604	34.3
96.08978	1.0
97.02887	2.8
97.06533	100.0
98.06888	2.8
100.11273	1.1
105.07001	1.6
107.08592	29.9
108.08920	1.0
109.02898	1.5
109.10154	14.8
110.10551	1.1
111.08076	1.6
113.09619	1.1
120.08113	4.1
120.87012	0.8
123.11761	0.9
127.03912	1.5
135.11691	85.5
136.12050	3.7
142.37364	0.9
145.04974	2.6
145.09966	1.3
153.12746	58.9
154.13081	2.5
157.13342	1.0
171.13802	83.9
172.14188	4.9
236.44809	0.9
268.16867	0.9
295.25208	0.9
350.07352	1.1
350.27863	1.0
355.06738	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05509	8.2
57.03434	2.7
59.05008	11.5
60.04516	6.1
61.02927	1.9
62.41289	1.9
63.26974	1.7
67.05502	19.1
69.03419	5.6
69.06711	3.7
69.07068	59.0
70.05233	3.6
70.94855	1.6
71.04977	6.4
79.05492	9.0
81.03423	2.8
81.07062	22.9
83.04996	10.7
83.08624	4.4
84.79298	1.8
85.02903	22.6
85.06544	16.3
86.09785	1.7
91.05482	17.9
93.07044	99.3
94.07355	1.7
95.04968	6.0
95.08608	63.3
97.02880	5.5
97.06526	19.1
98.22810	1.8
99.04460	2.7
105.07027	7.3
107.08596	82.0
108.08936	2.3
109.02814	1.6
109.06523	3.2
109.10155	45.3
110.10564	1.7
119.06084	2.1
119.08566	5.4
121.06498	2.8
123.11713	8.2
127.03925	7.1
135.11688	100.0
136.12025	4.9
137.13257	2.5
145.04979	8.2
147.11659	2.4
148.92397	1.7
153.12752	33.3
163.06102	2.5
173.04362	2.1
216.26402	1.7
290.61032	1.8
332.28043	2.5
333.16876	2.3
350.16275	2.1
350.28781	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01862	2.3
55.05501	8.2
57.03436	2.1
57.07076	1.3
59.04992	4.4
61.02935	5.2
67.05511	7.1
69.03423	9.1
69.07066	19.6
71.04987	3.6
73.02914	2.3
73.10229	0.9
76.96970	1.0
79.05492	9.4
81.03418	3.8
81.07058	15.7
83.04976	6.1
83.08597	1.1
85.02904	37.8
85.06550	3.6
87.04421	1.0
91.03951	2.1
91.05477	14.8
93.07043	100.0
94.07355	2.9
95.04968	4.5
95.08601	19.0
97.02879	9.7
97.06531	10.8
99.04456	2.1
105.04513	1.9
105.07010	5.5
107.08593	60.0
108.08929	1.9
109.02861	2.9
109.06526	1.7
109.10159	14.6
119.06104	1.2
119.08578	4.0
127.03921	4.9
132.40871	1.1
135.11688	81.1
136.12027	3.9
137.13274	5.8
145.04936	7.4
145.10141	1.3
153.12746	33.3
159.11696	1.1
163.40332	1.0
180.98511	1.3
186.04401	1.1
196.29297	1.2
350.19916	1.6
350.29114	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	350.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	9.5
55.05510	10.9
56.05041	3.6
57.03418	4.4
60.04526	42.4
61.02919	3.7
63.75489	2.4
67.05495	18.7
69.03415	6.2
69.07056	10.2
70.06585	3.9
71.04989	9.5
79.05489	17.1
81.07053	17.5
83.08614	4.7
85.02899	11.8
85.03365	2.2
91.05489	10.3
93.07036	35.4
95.04973	4.4
95.08611	42.8
96.56617	2.4
97.02897	2.7
97.06535	99.3
98.06091	5.2
98.06848	4.9
105.07026	10.1
107.08600	32.4
108.24527	2.5
109.10155	20.8
110.67751	2.6
111.08101	3.0
119.08591	4.3
120.08085	3.1
123.11684	3.1
133.10121	3.6
135.11700	100.0
136.12041	3.1
137.95569	2.8
142.59628	2.3
149.05994	6.0
153.12753	75.6
161.09644	3.0
171.07632	9.4
171.13809	83.8
172.14090	3.8
174.09201	2.5
181.08566	8.1
185.07925	3.2
202.08504	2.9
265.30276	2.7
296.25946	3.1
314.26675	5.1
332.27731	18.0
350.19638	4.5
350.28983	33.0
356.39764	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	350.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18703	3.4
53.03937	2.7
55.05514	5.9
65.35184	2.7
67.05499	6.7
69.03439	5.7
69.07063	7.5
71.04996	3.9
71.47444	3.1
79.05494	20.0
81.03436	4.8
81.07054	12.7
83.08587	3.8
85.02908	31.6
86.09701	5.5
91.05482	11.0
93.07042	76.5
95.05013	7.2
95.08603	22.2
97.02917	6.4
97.06541	8.3
99.04463	3.1
100.11263	8.7
105.07043	6.5
105.30166	2.5
107.08598	78.8
108.08908	4.5
109.10161	19.1
110.10538	3.6
111.04456	3.3
120.08103	31.1
127.03920	8.2
135.11693	100.0
137.05942	3.1
145.04958	6.6
151.11127	4.2
152.07033	2.8
152.11494	2.9
153.12761	29.8
167.46069	2.7
168.27132	2.7
171.68446	3.4
178.08673	5.3
191.11809	9.6
210.15092	3.4
211.31790	2.7
216.12267	5.0
243.11258	5.0
244.11624	14.2
263.88449	3.0
271.10834	2.7
272.11118	6.0
286.12668	6.9
304.13718	11.1
314.12262	12.1
332.13144	7.3
350.12833	15.2
350.19754	3.0
351.14087	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	350.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05509	2.9
57.03434	1.8
61.67017	0.5
62.06073	0.8
67.05502	7.8
69.03433	1.3
69.07066	4.6
69.19797	1.6
69.20209	1.4
71.05006	0.6
71.08617	1.7
79.05492	11.2
80.05797	0.5
81.07056	16.7
82.94527	0.7
83.04953	1.0
83.08615	2.6
86.09692	1.4
90.02805	0.5
91.05475	8.8
93.07047	15.2
95.04958	2.8
95.08604	18.5
97.02881	1.8
97.06519	2.0
97.10160	1.0
99.08083	1.4
105.03403	4.4
105.07014	18.1
107.04956	2.3
107.08592	18.2
109.06514	2.6
109.10160	9.0
111.04436	20.3
111.08063	0.9
111.10863	0.5
111.11701	0.8
112.04790	0.6
113.05955	1.0
114.77714	0.6
115.05461	6.2
117.07027	7.5
119.08585	18.2
121.06478	1.5
121.10143	20.3
122.10484	0.8
123.08051	1.7
123.11684	2.6
125.05988	4.6
131.08575	4.3
133.06520	1.0
133.10130	12.7
135.08069	1.9
135.11702	7.1
137.05981	11.9
137.09612	2.0
141.09032	0.7
143.04927	0.6
143.08556	1.5
145.06509	6.4
145.10138	6.0
145.65239	0.6
147.08031	1.6
147.11681	11.0
149.06015	1.1
149.09599	0.6
149.13252	4.2
151.07585	0.7
151.11145	0.9
156.09349	0.6
157.10117	2.5
159.11705	3.8
160.12297	0.5
161.09595	2.3
161.13284	3.5
163.11119	1.0
163.14790	1.3
165.12753	1.2
167.10632	0.8
171.11732	3.8
173.09615	1.2
173.13240	4.5
175.11189	1.6
175.14812	11.1
177.16382	33.4
178.16740	1.9
179.10603	1.4
179.14314	1.2
181.10152	0.6
183.11713	0.8
185.09550	1.6
185.13266	2.7
187.14864	3.2
189.12750	0.9
189.16374	9.7
190.12312	0.8
191.10681	2.2
193.12204	0.7
195.11707	0.9
199.11128	1.8
199.14893	1.4
201.12677	0.7
203.10751	1.0
203.14163	0.7
203.18004	0.5
205.12265	2.1
207.14983	0.7
209.13260	0.6
213.12801	1.7
213.16272	0.7
217.12338	1.3
227.14352	1.6
227.17992	1.2
230.07915	0.7
231.13776	1.3
231.17458	0.7
241.19545	3.7
249.18562	1.3
251.18109	1.5
254.94623	0.7
257.68741	0.5
259.20581	2.1
269.18967	5.2
277.17969	5.0
277.21405	1.6
287.20068	16.3
288.20502	1.0
315.19534	100.0
316.04709	0.6
316.19870	6.7
332.26010	0.9
333.20334	0.9
340.74274	0.6
342.90381	0.6
350.23532	1.8
350.26974	1.2
350.30600	1.0
351.20706	4.3
351.25253	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	350.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04683	0.8
51.33639	0.8
51.62342	0.7
53.03948	0.8
55.01875	0.8
55.05518	5.7
57.03442	1.7
57.07075	1.2
58.80331	0.8
67.05504	12.1
69.03451	1.0
69.07074	5.4
71.08630	5.5
79.05495	13.2
79.12746	0.7
81.03464	0.9
81.07062	15.9
83.04988	1.6
83.08630	2.0
85.06538	1.1
91.05484	9.5
93.07049	22.3
93.07607	1.6
94.07366	0.9
95.04976	2.2
95.08608	18.8
97.02901	1.4
97.06535	2.1
97.10173	1.8
99.08092	3.8
105.07016	14.4
107.04990	1.6
107.08600	24.0
109.06531	2.4
109.10164	12.5
111.04449	15.9
111.08106	2.2
112.07648	0.8
117.07061	2.1
119.08581	15.6
121.10139	21.3
121.10980	1.3
123.08075	1.8
123.11712	1.9
125.06010	1.7
125.09676	1.2
129.07022	1.7
131.08562	5.3
133.06580	0.8
133.10127	10.3
135.08136	1.8
135.11711	12.3
137.05986	1.6
137.09598	1.2
139.07532	7.3
139.11153	1.0
143.08607	2.4
144.09332	0.8
145.10135	7.9
147.11696	10.2
148.12370	0.8
149.13228	5.3
151.11205	2.9
153.09093	4.4
157.10110	1.7
159.11697	3.9
161.09669	2.3
161.13268	4.0
163.11183	1.5
163.14822	1.7
171.11739	3.9
173.09688	1.7
173.13321	3.5
175.11237	1.2
175.14857	6.5
177.12794	0.9
177.16386	24.2
179.10722	1.2
179.14334	2.3
185.13264	3.4
187.11234	1.4
187.14853	2.3
189.16408	5.7
191.10677	5.4
193.12251	1.8
199.11227	1.4
199.14815	2.2
203.10445	1.0
205.12228	10.9
207.13747	0.8
213.12730	1.4
217.12256	4.1
227.17960	2.0
228.01407	0.7
231.13873	3.0
234.90140	0.8
241.17223	0.9
241.19467	4.4
259.20615	6.9
269.18811	1.7
277.21628	4.9
287.20071	32.7
288.20413	2.7
312.98880	0.8
315.19559	100.0
316.19943	8.1
316.23318	1.1
333.17184	1.5
350.19821	1.4
350.23529	4.0
351.18652	4.7
351.25287	13.2
369.14807	0.8
369.19394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
56.05026	3.0
60.04527	100.0
61.04842	1.4
67.05505	13.6
69.07075	6.1
70.06586	1.8
70.37168	2.0
70.37494	2.0
72.04520	2.8
79.05499	8.5
81.07063	13.6
82.06588	2.5
82.07373	1.6
83.04963	1.5
83.08614	3.0
90.05551	1.3
91.05476	3.9
93.07067	7.5
95.04977	2.8
95.08601	13.5
96.08091	1.5
97.06527	2.4
97.10186	2.2
102.05531	2.2
105.07020	4.4
107.08583	4.6
109.10149	7.3
111.08035	1.4
119.08553	3.6
121.10148	4.5
123.11707	3.1
126.46847	1.2
131.08528	1.7
133.10112	2.6
135.11684	4.6
137.13313	1.5
138.09056	1.5
145.10130	1.5
147.11665	1.4
149.13239	2.7
162.72658	1.2
163.11249	2.2
173.13228	1.9
182.15440	1.3
191.08574	1.5
191.47318	1.3
205.06694	1.6
219.08069	4.2
230.07152	3.5
231.08043	4.9
233.05940	2.0
245.09650	2.1
246.06818	1.6
247.07533	5.4
248.08298	4.9
256.85910	1.3
257.73596	1.4
258.06607	1.7
259.07529	3.4
260.08395	2.7
260.23819	1.7
261.05389	2.0
263.10770	2.5
264.07196	1.4
265.07959	1.4
273.09085	10.1
275.06973	2.8
276.07785	9.5
277.08496	1.8
278.24783	6.9
278.63608	1.6
287.29318	1.6
289.05066	2.4
289.08624	3.4
290.09436	7.4
291.10123	7.3
293.07996	1.5
296.25827	13.0
301.08621	3.4
304.07355	6.5
305.08124	4.3
314.26874	13.7
315.27051	1.5
319.09665	42.0
320.10376	5.3
332.27917	42.3
333.28415	2.4
350.15643	5.3
350.20081	2.3
350.24142	10.5
350.28964	66.4
351.12250	18.5
351.17673	2.6
351.24945	2.3
351.29294	5.6
367.53702	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05557	1.6
57.07078	100.0
67.30403	1.6
68.87500	1.7
71.08633	87.3
72.08955	1.8
85.10179	52.9
89.06033	62.3
97.10161	2.1
98.23454	3.2
99.11718	8.6
101.01492	1.7
109.06501	1.8
113.13287	5.0
127.14820	3.2
133.08604	19.1
141.27538	1.8
144.55217	1.6
151.09659	91.4
165.12900	1.7
204.43832	1.8
333.29999	25.1
334.30225	2.1
351.25223	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
58.46355	0.4
64.89813	0.4
67.44738	0.4
82.26127	0.5
84.08147	1.1
86.09715	0.6
93.65259	0.4
95.01967	0.5
109.10171	0.4
120.08100	0.9
150.97751	0.5
155.14925	0.5
173.02888	0.5
177.05539	1.2
181.68239	0.6
207.05060	0.9
225.06096	0.6
232.35886	0.5
243.07207	1.1
249.06017	3.3
267.07135	3.8
309.07944	0.7
343.88855	0.5
351.10489	100.0
352.10843	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	351.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	5.5
60.28323	1.0
69.67416	1.5
69.67770	3.2
74.65038	1.0
84.08138	1.2
84.96037	1.7
96.41518	1.0
98.97587	31.6
110.97581	4.8
112.99114	1.2
116.98616	10.8
121.06533	2.7
128.98607	4.6
134.99675	2.4
143.00137	1.6
145.01724	1.7
146.99638	1.5
147.03249	2.0
158.99617	10.6
170.99594	2.3
177.00740	6.5
189.00800	1.4
189.04356	1.8
195.01990	1.1
201.00728	1.8
219.01779	9.5
231.11247	1.3
237.02814	11.9
291.07520	11.5
309.08545	23.2
309.11844	1.8
316.62796	1.1
328.05536	1.4
351.10452	100.0
352.10843	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88929	2.1
59.16786	2.0
60.85807	2.1
67.05497	3.4
69.07041	2.7
69.27689	11.3
79.05502	2.6
81.07070	3.8
84.08170	2.2
91.05511	4.3
92.17416	1.8
93.07002	2.9
95.08625	6.6
105.07037	4.1
107.08590	4.4
109.10139	2.9
119.08597	2.3
121.06483	21.4
121.10166	3.7
131.08479	2.8
135.08060	2.9
147.07988	3.2
147.11700	2.1
149.78218	2.1
157.10181	3.0
161.09662	3.2
173.13280	2.5
175.01953	2.0
177.88374	2.0
185.04204	51.6
186.04341	2.2
189.08850	16.9
189.12761	2.9
200.06917	1.9
217.45567	2.2
315.19608	2.7
318.24622	2.3
333.20566	7.5
351.14166	100.0
351.21146	36.1
352.14575	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	351.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	2.0
55.09101	1.9
67.05508	4.5
69.07081	2.2
70.25227	5.4
79.05466	2.6
81.07053	7.3
81.98621	2.1
91.05480	3.0
93.07050	6.8
95.08621	8.6
97.06525	3.2
105.07027	4.5
107.08581	5.3
109.10155	2.2
111.25283	1.7
119.08571	4.2
121.06504	41.1
121.07335	3.6
121.10149	2.4
123.08118	3.4
129.20665	2.0
133.10176	3.4
135.08098	3.8
135.11696	2.8
137.05994	4.3
145.10110	4.0
147.07997	3.8
147.11736	1.9
157.10126	2.6
159.11707	3.2
161.09599	4.2
161.13385	1.8
171.11684	4.3
185.04221	55.8
186.04622	3.2
186.17694	1.8
189.08902	7.2
195.11864	2.2
198.55667	2.1
215.14429	2.4
241.19553	2.2
257.19199	3.4
269.19077	4.4
315.19696	2.8
321.20776	4.4
333.20612	5.5
351.14157	100.0
351.21194	41.2
351.25467	3.4
352.14505	6.3
352.24792	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	351.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43205	3.3
53.03928	4.0
55.01870	6.4
55.05518	29.2
56.96560	10.3
57.03433	15.8
57.07065	6.2
67.05161	5.4
67.05507	73.6
69.07075	24.3
70.00810	9.9
70.06568	3.6
71.04965	3.6
71.08634	43.1
79.05492	62.2
81.03434	3.9
81.06580	5.0
81.07060	75.1
83.04970	9.5
83.08609	15.7
85.06535	5.9
85.10176	3.7
88.45949	4.0
91.05482	44.9
93.06458	4.3
93.07049	84.5
95.04961	14.9
95.08605	54.9
97.06522	10.0
97.10172	6.3
99.08096	44.9
105.07025	51.3
106.07357	4.5
107.04999	4.1
107.08593	54.0
108.08911	4.2
109.06541	9.0
109.10179	21.6
111.04459	8.8
111.08096	8.5
117.07014	12.7
119.08588	40.9
121.10139	38.4
122.10461	5.3
123.08087	4.8
123.11654	4.4
131.08575	16.3
133.10153	33.7
135.11699	41.7
137.05995	6.9
143.08592	5.6
145.10124	12.6
147.11693	35.5
149.13261	27.2
151.11174	22.7
153.09068	3.6
157.10175	7.3
159.11699	15.0
161.13260	33.1
163.11212	12.4
163.14796	7.6
165.12717	5.1
171.11729	15.1
173.13278	12.2
175.11244	4.0
175.14787	11.5
177.12846	3.3
177.16428	6.0
178.16640	8.3
179.14319	14.0
185.13263	6.0
199.14798	6.3
213.07863	7.3
213.16554	3.6
229.07384	6.6
229.19533	4.3
231.21103	7.9
232.14159	4.0
241.19516	20.9
243.09181	6.2
259.20569	55.3
260.21024	4.6
271.20383	4.0
277.18744	5.5
277.21637	40.2
287.19843	4.5
288.20169	18.2
299.20050	6.5
316.19870	56.2
317.20819	10.0
333.17386	11.9
333.23883	5.5
351.18726	53.8
351.25278	100.0
352.25601	6.6
369.19528	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	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64392	7.9
55.05516	24.2
55.14742	9.9
59.00568	8.7
64.98362	9.2
67.05511	56.8
69.07069	11.0
70.71279	15.4
75.35030	10.0
79.05496	57.8
81.07056	60.5
91.05473	52.2
93.07053	99.3
94.01581	8.3
95.08611	50.1
105.07058	45.9
107.08597	61.9
109.10146	16.2
113.09606	8.3
119.08599	60.7
121.10157	33.5
126.58806	11.6
127.42316	8.7
131.08595	15.5
133.10123	27.5
135.11716	39.2
145.10158	16.5
146.33685	10.4
147.11743	52.4
149.13307	27.9
159.11674	17.5
161.13258	39.0
173.13243	12.1
185.13283	15.1
189.10873	9.8
229.07458	16.2
241.19604	26.4
259.20584	100.0
277.21555	26.3
351.18777	59.9
351.25146	66.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.7
55.01865	6.5
55.05511	34.9
56.96547	2.6
57.03441	14.2
57.07054	6.3
62.88314	1.7
65.03925	2.1
67.05505	78.9
67.13098	1.8
68.22877	1.7
69.07066	27.1
70.42426	3.9
71.04975	6.6
71.08636	29.5
75.04449	2.1
77.03912	2.5
79.05051	3.0
79.05493	54.2
81.03419	4.1
81.07058	74.7
83.04943	6.9
83.08607	18.2
85.06525	3.4
86.09705	2.1
91.04956	2.8
91.05481	51.4
93.07046	81.3
94.07352	2.6
95.04971	17.1
95.08038	3.1
95.08607	51.3
95.09203	3.0
97.06506	8.1
97.10162	9.2
99.08089	23.7
105.04508	3.0
105.07031	52.8
107.08590	52.4
109.06479	6.0
109.10143	25.2
111.08044	5.8
111.21824	1.8
114.42833	1.7
115.05431	2.7
117.07010	14.4
119.08571	40.6
121.06430	1.8
121.10143	29.7
123.08023	2.4
123.11677	4.7
125.09595	5.3
126.32975	1.7
129.06946	5.2
131.08601	12.5
133.10126	33.8
135.08020	3.3
135.11679	38.7
137.05968	9.8
137.09569	6.5
143.08530	8.0
144.05292	1.9
145.10112	14.5
147.11676	29.4
148.12021	2.2
149.12206	2.4
149.13248	19.6
151.11127	17.9
157.10104	7.6
159.11659	10.5
161.13254	32.4
163.11119	5.1
163.14792	6.6
165.12724	4.3
168.65546	1.8
171.11644	8.0
173.13235	6.5
175.14804	11.9
177.12700	3.3
179.14319	17.0
185.13281	8.9
187.14745	3.3
189.11165	2.2
199.14740	6.3
213.16132	1.9
217.19543	2.5
221.15370	2.7
231.21007	8.2
232.29138	1.9
233.12906	1.9
235.16908	2.9
241.19511	18.7
242.19960	2.8
259.17798	2.7
259.20566	53.6
260.20718	2.9
269.20428	1.9
277.18616	2.7
277.21634	42.2
333.17340	9.3
333.24026	6.0
351.17502	15.5
351.21280	21.6
351.25165	100.0
352.17633	3.4
352.25406	6.2
369.19342	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.5
55.01872	13.9
55.05505	25.4
56.96570	33.9
57.03443	40.6
67.05506	82.8
69.07061	36.7
69.67909	16.5
71.04960	5.6
71.08622	14.2
79.05504	58.2
80.05799	8.4
81.03422	7.1
81.07055	82.6
82.07352	6.4
83.04992	10.0
83.08614	12.2
85.06574	6.8
85.10197	7.2
91.05481	46.4
92.05824	7.1
93.07053	84.1
93.23814	5.0
93.49730	5.3
94.07412	8.7
95.04960	19.0
95.08604	65.2
96.08953	6.4
97.06524	16.0
97.10197	10.3
98.22691	5.4
99.08104	12.8
105.07036	51.6
106.07368	10.8
107.04996	9.8
107.08604	48.4
109.06512	20.7
109.10144	25.4
110.10496	7.9
113.09627	7.2
117.07006	8.4
119.08604	41.9
121.10155	29.9
123.11648	7.0
131.08574	27.8
133.10109	44.2
134.10446	6.4
135.11708	23.1
137.98962	4.9
145.10126	18.0
146.10670	6.4
147.11731	37.7
149.13284	13.7
159.11678	13.2
161.13235	14.4
163.11212	8.4
165.12811	17.4
171.11880	7.1
173.13315	12.2
175.14893	10.6
177.45262	5.3
185.13254	6.2
199.06454	11.7
213.07956	24.7
217.19484	7.0
219.17403	11.0
220.17776	21.9
221.18074	24.4
229.07495	41.7
231.09105	17.3
241.19527	15.5
243.08926	7.0
247.08517	20.8
249.22110	8.5
255.09073	6.3
259.20529	51.3
269.10583	6.9
277.21631	51.6
289.21616	15.4
351.18088	17.1
351.21243	55.7
351.25040	100.0
369.19534	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	351.2014
Annotation	Sachaloside VII
Peak:m/z	Relative Intensity
50.34830	1.9
55.01854	3.7
55.05512	8.3
57.03446	4.0
57.07071	6.5
59.05009	2.7
59.51652	2.1
60.04536	2.9
66.08638	2.1
67.05501	10.5
69.03424	11.9
69.07068	39.7
69.63197	4.5
69.63596	5.7
71.04998	30.0
72.08148	12.3
73.02940	3.1
73.06550	6.0
79.05502	16.7
81.03414	5.2
81.07050	58.6
81.07498	4.6
83.08627	9.7
85.02907	25.3
85.06551	24.0
86.09676	4.0
87.00844	6.0
91.05476	7.0
93.07045	40.6
95.08614	7.8
97.02888	9.6
97.06544	16.9
99.04470	4.6
105.01875	10.2
105.07068	2.9
107.08603	35.8
109.02850	3.7
109.10159	38.6
111.08092	3.0
119.04931	2.7
119.08553	4.5
120.08094	6.8
123.11703	27.2
125.13307	5.3
127.03905	9.4
127.11190	46.8
135.11700	61.7
136.06184	83.8
136.07330	4.1
136.12022	4.5
141.12726	38.7
141.13766	2.7
145.02805	3.3
145.04967	9.5
147.04411	5.1
153.12737	100.0
154.13087	3.6
166.08665	2.4
169.12323	5.7
171.13800	74.5
172.14227	5.6
177.05481	8.0
181.12248	2.2
185.08167	5.5
187.10893	3.2
189.14832	3.1
202.10927	7.5
220.11929	84.5
311.05234	3.1
315.18173	5.4
351.08749	5.1
352.16129	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	351.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02358	0.8
53.03937	1.4
53.75840	0.5
55.05509	1.3
56.96538	2.3
57.03411	1.1
61.53659	0.6
65.03916	2.3
67.05479	2.9
69.07063	3.8
70.22884	1.2
76.61543	0.6
77.03915	2.6
78.04686	0.8
78.77713	0.5
79.05498	6.3
81.07053	4.6
83.08596	0.7
86.09708	63.4
87.10049	0.8
89.03902	0.9
91.05482	35.0
93.07043	9.3
95.04970	10.1
95.08613	3.8
97.06503	0.8
102.04681	2.9
103.01812	0.8
104.99238	0.9
105.03392	100.0
105.04521	4.6
105.07027	4.8
106.03717	3.3
107.08582	4.6
109.06484	0.9
109.10156	1.6
115.05457	20.2
116.06256	5.1
117.07022	36.6
118.07383	1.4
119.08593	3.3
121.10150	4.2
131.08577	1.8
133.10156	3.1
134.06009	2.0
134.13666	0.7
135.11682	3.0
137.09601	0.7
143.08585	1.1
145.06487	98.8
145.10184	1.9
146.06825	4.8
147.11650	3.6
149.13268	2.5
159.11726	1.2
161.13264	2.3
163.14845	0.8
165.12779	1.1
171.11899	0.9
173.13278	0.9
185.13316	0.7
190.12260	17.3
191.12634	1.3
207.14920	21.5
208.15326	1.6
230.15396	16.2
231.15791	1.2
233.12813	8.5
241.19608	2.2
259.20596	6.2
260.20932	0.8
277.21829	2.1
289.21835	0.9
315.23239	0.6
333.17212	1.3
333.20377	1.3
333.24078	0.7
351.20990	43.3
351.25439	7.3
352.17438	0.7
352.21481	3.8
352.24991	0.8
369.19452	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	351.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43222	1.2
52.68424	1.3
62.86129	1.3
69.35584	3.0
69.35979	5.2
71.15705	1.2
73.11723	1.5
79.05502	1.6
81.07036	2.9
93.07015	1.6
98.23441	3.0
101.06017	13.7
117.07036	1.7
140.10747	1.8
174.70992	1.5
205.85060	1.4
333.20126	2.2
351.21408	100.0
352.21356	7.5
367.79935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
53.40575	0.5
67.05504	0.7
67.71329	0.5
69.57536	1.2
75.62122	0.5
77.49330	0.6
79.05504	0.9
81.07058	1.1
91.05457	1.1
93.07021	0.8
95.08586	1.4
96.34344	0.5
105.07020	1.7
107.08576	1.1
107.23229	0.5
117.07071	0.6
119.08585	0.9
121.10116	0.9
123.35086	0.5
131.08658	0.6
133.10123	1.1
133.85640	0.5
135.11736	0.7
145.10106	0.7
167.08545	0.5
190.53979	0.6
272.49576	0.6
277.21100	0.5
333.20377	3.9
351.21414	100.0
352.17786	0.9
352.21771	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	351.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.0
55.01866	2.3
55.05260	0.8
55.05514	10.8
55.23555	0.6
57.03437	4.8
57.07077	1.5
67.05507	20.5
69.03419	0.7
69.07071	6.4
69.63207	1.1
69.63597	1.1
71.08632	11.6
77.03931	0.6
79.05495	14.7
81.03409	2.5
81.07061	17.0
83.04989	3.0
83.08634	4.1
85.06578	1.4
91.05486	11.8
93.07050	16.4
95.04975	3.6
95.08019	0.8
95.08610	11.1
97.06535	2.3
97.10175	2.9
99.08103	11.4
105.04518	0.9
105.07030	9.3
107.04950	1.0
107.08600	9.6
109.06503	2.5
109.10172	5.4
111.08091	1.8
117.07031	2.4
119.08590	7.5
121.06551	0.7
121.10147	4.4
123.11697	1.4
125.09658	2.0
129.07005	1.6
131.08572	2.5
133.10121	5.7
135.11685	5.0
137.09651	1.0
143.08543	1.3
145.10123	3.1
147.11697	4.5
149.09602	0.8
149.13278	3.1
151.11189	5.9
157.10104	1.3
159.11711	1.4
161.13287	5.2
163.11165	2.9
163.14836	1.3
165.12743	1.4
171.11708	2.2
173.11833	1.0
173.13255	1.4
175.14851	2.3
179.14333	3.7
185.13304	1.5
189.12787	0.7
199.14774	0.7
207.13788	0.7
221.15344	0.7
231.21101	2.4
241.19466	3.0
249.22015	0.9
259.20578	6.5
277.21625	13.9
278.21829	0.7
351.21359	100.0
351.25336	25.4
352.21713	8.7
352.25647	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	351.2144
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
57.17791	0.5
59.06306	0.5
70.70709	1.0
82.15034	0.5
102.15958	0.5
333.20236	0.7
351.21426	100.0
352.21762	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	351.2148
Annotation	Pachyclavulariolide Q
Peak:m/z	Relative Intensity
55.05499	1.4
67.05495	2.4
69.03427	1.0
69.07079	1.2
69.86134	2.1
69.86461	1.4
80.94834	1.3
81.07052	2.6
88.22496	1.0
93.07043	3.3
97.20044	0.9
98.22748	1.9
99.08057	1.2
107.08528	1.2
121.06494	3.2
121.10159	1.6
127.61034	1.0
131.08563	1.2
159.11690	1.2
243.17383	1.4
262.17068	0.9
333.20435	5.0
351.17911	5.3
351.21417	100.0
352.17612	3.6
352.21796	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	351.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.5
54.45997	0.4
55.01862	6.1
55.05504	5.3
56.15247	0.4
57.03429	4.4
57.07064	1.1
65.03922	0.8
67.05506	11.4
69.03424	1.0
69.07060	5.6
69.55872	1.8
71.04988	1.0
71.08624	0.7
79.05486	14.2
79.63653	0.4
81.07054	36.3
82.07376	1.3
83.04978	2.5
83.08621	2.6
85.06549	0.8
91.05470	9.2
93.07037	14.5
94.89207	0.5
95.04958	1.2
95.08602	9.7
97.06516	1.5
97.10174	0.9
98.23415	0.8
99.08076	0.7
101.09633	0.6
105.04510	0.6
105.07015	10.1
107.08590	10.5
109.06516	13.3
109.10139	4.2
111.04440	14.7
111.05170	1.0
111.08054	1.1
113.05986	0.8
117.07047	2.9
119.08582	9.0
120.08888	0.6
121.10136	8.5
123.08050	1.9
123.11666	1.0
125.05991	3.8
129.06981	1.2
131.08571	4.0
133.10123	10.6
134.10439	0.6
135.08052	2.3
135.11679	9.0
137.05971	100.0
137.13243	1.5
138.06316	3.5
141.89845	0.5
143.08542	2.1
145.10121	4.1
147.08034	1.5
147.11667	11.0
148.11919	0.6
149.09622	4.4
149.13243	4.0
151.07594	2.4
151.11183	1.4
156.09212	0.4
157.10129	2.3
159.11711	3.3
161.09599	4.9
161.13246	5.2
163.11160	2.8
163.14819	1.3
165.09113	1.7
165.12729	1.1
167.10699	0.9
171.11674	2.7
173.13254	2.0
175.11177	4.6
175.14816	2.5
177.12680	0.9
177.16354	0.5
178.16637	0.7
179.10651	2.1
181.12311	0.6
185.13252	2.3
187.14891	0.7
189.12764	1.4
191.14354	0.6
193.12172	1.3
199.14821	0.7
203.14345	0.6
203.17955	5.7
205.19490	1.3
213.16405	2.9
221.18965	1.9
223.14766	0.6
231.17433	9.3
231.20996	0.7
232.17795	0.6
241.15918	1.0
241.19499	3.0
249.18497	10.8
259.20599	10.4
271.20459	0.8
277.17972	48.9
278.18329	3.8
289.21671	0.6
295.19025	5.8
296.19269	0.6
316.19836	2.3
351.21002	21.3
351.25360	8.8
352.21152	2.0
352.25577	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.232
Annotation	3,5-Dihydroxy-4-(3',7'-dimethylocta-2',7'-dienyl)bibenzyl
Peak:m/z	Relative Intensity
55.05501	14.0
57.07056	4.7
67.05519	20.4
69.07074	11.9
70.15617	5.8
70.15947	8.6
72.98936	3.8
79.05505	20.7
81.07063	22.0
83.08642	7.0
91.05498	23.7
93.07050	38.2
94.86241	3.9
95.04937	10.0
95.08623	33.0
97.06514	4.7
99.04433	4.0
104.99276	7.1
105.07035	46.3
107.08593	43.4
109.06528	8.7
109.10161	32.1
111.08082	16.8
117.06996	9.5
119.08587	53.4
121.10142	56.2
123.08102	5.3
123.11715	10.5
129.07016	10.0
130.07768	5.4
131.08577	23.0
133.10121	35.0
135.08087	8.6
135.11682	19.1
137.05986	26.4
137.61017	4.5
142.07823	11.4
143.08531	22.3
144.09366	5.7
145.10114	48.8
147.08012	5.4
147.11719	12.0
149.09644	4.6
155.08588	15.9
156.09364	9.1
157.10155	28.9
158.10855	5.8
159.08084	12.1
159.11691	28.3
163.11186	5.4
166.07857	3.6
167.08647	6.1
168.09442	4.2
169.10120	17.6
171.11751	26.6
173.13278	27.3
175.14810	10.8
179.08702	6.0
181.10112	11.5
183.11710	23.8
185.13248	11.3
187.11192	5.3
187.14828	32.4
194.11086	4.5
195.11668	18.1
197.09569	5.0
197.13271	16.0
199.14838	7.4
201.12856	5.1
209.13268	21.5
211.11171	16.0
211.14799	10.4
213.12894	4.8
213.16367	6.0
215.10728	5.0
220.12500	4.3
221.13235	14.8
223.14857	8.0
229.12198	13.1
231.13861	5.3
238.54878	4.4
251.17833	5.6
251.83897	4.2
252.18655	7.0
265.19476	9.4
295.16986	7.3
326.79944	4.5
333.22150	13.8
351.23145	100.0
352.17590	6.4
352.23416	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	351.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22136	3.3
55.01867	4.3
55.05503	15.8
56.47156	3.8
57.03436	9.9
57.07071	4.3
67.05510	50.7
69.07056	19.3
69.19586	24.2
70.52312	3.7
71.04996	7.0
79.05491	61.0
80.94853	3.9
81.07053	59.9
83.08634	6.7
85.63686	4.2
91.05482	55.6
93.07048	93.9
95.04967	10.3
95.08614	37.8
98.22704	9.1
104.99256	3.9
105.07027	61.3
107.08589	51.5
109.10143	18.4
111.43420	4.1
113.09646	4.2
117.07045	13.8
119.08569	43.9
121.10147	49.1
122.10496	6.0
123.11697	5.4
129.06998	6.5
131.08551	21.4
133.10138	47.0
135.11693	46.5
137.05948	3.9
143.08568	6.5
145.10115	25.2
147.11676	45.4
149.09605	3.9
149.13268	24.9
157.10135	9.3
159.11700	21.2
161.13258	36.7
163.14847	9.1
171.11694	14.8
173.13271	10.1
175.14827	13.4
185.13222	10.2
189.12830	3.8
199.14656	8.4
228.10997	4.9
231.20964	6.9
241.19592	29.1
259.20602	99.5
260.20956	10.4
277.21707	22.0
292.22760	4.1
298.86606	4.4
333.24203	10.8
336.49796	4.1
351.20776	27.4
351.25284	100.0
352.25592	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42763	2.3
55.05510	23.1
57.03424	10.6
57.07068	3.2
67.05504	50.7
67.29691	2.4
69.07074	18.6
69.73571	9.5
71.04978	4.7
79.05492	60.0
81.07056	75.2
83.08612	7.8
85.06522	3.6
91.05474	46.8
93.07045	85.4
94.07375	2.8
95.04962	13.0
95.08597	43.0
97.10194	3.7
99.08073	5.7
105.07030	62.1
106.07363	3.0
107.08595	51.3
109.06499	8.8
109.10191	17.2
111.04436	7.3
111.08080	3.0
114.45715	2.7
117.07005	9.0
119.08575	47.8
121.10142	43.0
123.08025	2.7
123.11713	4.5
125.09644	3.3
129.07018	6.8
131.08562	20.8
133.09164	4.2
133.10130	51.8
135.08058	4.6
135.11691	40.5
136.12001	2.8
137.05981	56.4
143.08543	8.6
145.10121	19.0
147.11681	49.7
149.09578	6.0
149.13257	25.9
151.11147	5.0
157.10088	11.6
159.11688	22.8
161.09673	3.4
161.13260	38.0
163.11153	4.8
163.14821	9.1
171.11714	14.2
173.13277	8.7
175.11311	5.1
175.14795	17.3
177.16460	3.0
179.14418	3.2
183.20221	2.6
185.13277	9.8
186.99504	2.9
189.12634	6.2
193.16039	2.7
199.14778	6.9
203.17909	3.0
203.65483	6.9
213.16353	6.6
215.18112	3.0
217.19554	3.7
231.17372	6.0
231.21062	9.6
241.19489	35.5
242.19807	3.9
249.18541	9.1
259.20563	100.0
260.20923	7.0
261.25711	3.2
277.18356	20.7
277.21594	18.1
295.19034	5.2
331.23068	2.5
333.24176	9.0
351.21423	11.0
351.25281	80.1
352.18246	2.9
352.25513	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	10.8
55.05514	19.6
57.03440	7.0
57.07067	8.6
65.03937	3.9
67.05508	50.5
69.03414	4.2
69.07064	23.1
71.04993	5.5
71.45966	2.8
79.05492	62.9
81.07059	51.8
83.05005	4.1
83.08633	6.1
85.06581	4.4
87.89839	3.5
91.05479	54.8
93.07042	69.9
95.04944	18.0
95.08618	39.3
97.06519	10.4
97.10153	4.0
105.07011	51.7
107.04989	3.7
107.08602	33.9
109.06526	32.2
109.10172	14.5
117.06986	8.4
119.08592	50.5
121.06483	7.9
121.10163	36.6
123.08076	5.3
123.11677	7.1
125.09602	3.4
129.06993	10.7
131.08572	24.1
133.10123	45.9
135.08084	11.2
135.11700	32.6
137.09599	7.0
142.07739	4.8
143.08611	7.8
145.10132	21.7
147.11676	38.2
149.09621	5.3
149.13315	17.7
151.11285	4.0
157.10173	9.9
157.80209	3.8
159.11717	14.7
161.13252	27.4
163.11127	8.8
163.14893	4.1
165.12764	29.4
171.11717	13.2
172.12282	5.2
173.13278	10.8
175.14832	10.8
176.02721	3.7
185.13321	14.1
187.14871	4.3
189.12608	3.8
191.14232	4.0
195.11642	5.1
199.14806	4.9
205.93724	3.4
231.21130	7.1
241.19383	23.9
259.20557	69.4
260.20868	6.2
261.21878	4.9
277.21579	11.3
289.21658	30.1
333.24255	5.3
351.25351	100.0
351.28842	8.4
352.17303	7.3
352.25455	7.0
369.19333	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	351.2531
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
50.42831	0.6
53.03933	1.0
55.01873	8.6
55.05254	0.8
55.05510	10.8
56.96552	1.9
57.03431	1.5
57.07065	2.6
59.04996	1.1
60.85613	0.6
65.03928	1.2
67.05158	1.1
67.05502	14.0
69.03426	1.8
69.06721	0.7
69.07069	13.0
69.41346	2.9
71.04987	2.1
71.08626	3.0
79.05492	11.5
81.07057	23.7
83.04986	2.9
83.08615	3.5
85.06542	1.9
87.04455	1.0
91.05474	10.6
93.07040	18.2
94.07362	0.7
95.04972	10.9
95.08603	15.4
96.05364	0.6
96.82771	0.6
97.06532	8.4
97.10167	1.6
99.04453	1.4
99.08081	3.1
105.07029	12.3
106.07340	0.8
107.08585	11.0
109.06516	55.4
109.10168	5.1
110.06866	1.1
111.08058	1.7
117.06998	2.5
119.08575	12.5
121.06510	8.9
121.10149	5.3
123.08085	3.6
123.11695	2.1
129.06975	1.2
131.08578	7.0
133.10150	5.5
135.08047	6.1
135.11697	2.5
137.09628	3.6
141.09148	0.8
143.08533	1.5
143.10710	0.8
145.10106	5.7
146.10626	0.7
147.08032	0.8
147.11708	5.4
149.09598	3.0
149.13271	1.5
153.12712	1.1
155.08577	1.3
157.10117	1.9
159.11754	3.9
161.13301	2.5
163.11191	9.9
163.14861	1.0
165.12753	40.4
166.13084	1.6
169.10178	0.7
171.11874	0.9
173.13257	4.5
175.11221	1.5
177.12744	1.8
179.14316	1.0
185.13246	0.8
185.84125	0.8
187.14784	1.7
191.14288	5.5
201.12671	0.9
213.07932	0.9
215.14348	1.0
219.17558	0.8
221.15378	2.4
229.07513	1.6
229.14371	1.9
233.15421	3.7
247.08476	1.2
247.20691	0.7
259.20401	0.9
261.22141	5.9
271.20587	1.7
289.21603	51.4
290.21942	2.7
295.19061	6.6
307.22781	1.1
333.20782	0.9
333.24155	4.3
351.21960	3.8
351.25284	100.0
352.25616	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84930	1.0
53.03942	3.4
55.01867	1.7
55.05516	19.9
56.05854	1.0
56.96557	3.0
57.03437	12.2
57.07069	3.4
65.03933	2.0
67.05510	49.9
69.03419	1.3
69.07067	18.3
69.55452	4.4
71.04978	2.8
71.08640	2.2
75.04459	3.0
77.03902	3.7
79.05497	64.6
80.05823	1.0
81.03409	4.3
81.07059	59.0
83.04976	3.2
83.08620	8.1
85.06535	3.5
86.09710	16.7
91.05482	56.6
93.07045	100.0
94.07338	3.2
95.04961	11.2
95.08609	35.3
97.06520	3.8
97.10157	3.6
99.08102	5.4
105.03396	27.1
105.04508	3.6
105.07034	54.2
106.07349	1.2
107.08595	54.3
108.08892	1.3
109.06494	3.5
109.10161	16.4
111.08065	1.5
113.09615	2.0
115.05481	7.3
116.06236	2.2
117.06187	1.1
117.07020	22.0
119.08581	49.3
121.06500	1.6
121.09261	2.2
121.10151	42.4
123.08062	3.4
123.11654	4.0
125.09612	1.7
128.06140	1.1
129.07024	8.7
131.08577	18.2
133.10129	46.5
134.10428	1.9
135.08049	2.5
135.11697	44.9
136.12083	1.4
137.09642	2.2
143.08589	10.3
145.06490	23.1
145.10124	21.3
147.11687	44.9
148.11992	2.4
149.09604	2.7
149.13258	22.3
150.13594	1.4
151.11162	4.6
153.09004	1.1
157.10144	8.8
159.10378	1.1
159.11694	20.0
160.11960	1.2
161.09587	2.0
161.13254	28.6
163.11136	3.2
163.14821	7.6
165.12756	2.7
171.11710	11.6
173.13242	10.3
175.11099	1.0
175.14793	11.1
177.12743	3.6
179.14297	3.5
181.12167	1.2
183.11513	1.3
185.13268	10.9
185.85950	1.0
187.14757	1.8
189.12726	3.8
190.12296	4.7
195.13760	1.2
196.02730	1.2
197.13210	1.7
199.14786	6.5
201.16423	1.3
203.14206	1.7
207.15004	5.4
213.16382	4.1
217.15915	1.6
217.19467	2.7
221.15388	1.8
230.15327	4.1
231.17465	2.4
231.21126	6.8
233.12808	2.5
241.17018	1.7
241.19502	32.1
242.19897	1.7
259.20587	85.6
260.20914	5.3
261.22205	1.9
271.20657	1.2
273.72751	0.9
277.18628	1.1
277.21625	21.2
278.94403	0.9
287.79456	1.0
289.21710	1.0
293.29901	1.1
299.20010	2.9
317.20990	2.9
333.17282	2.7
333.24231	7.3
351.18115	4.9
351.20786	11.2
351.25201	81.6
352.25562	5.2
369.19348	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	351.2531
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
53.03939	3.1
55.01867	3.6
55.05516	25.0
56.96580	5.8
57.03429	9.8
67.05506	52.0
67.05854	3.0
69.07066	27.6
69.63885	6.8
71.05002	5.0
75.04472	3.7
79.05493	69.2
81.06619	5.3
81.07059	66.6
81.61571	3.1
83.08622	11.8
85.06556	3.2
91.05484	61.3
93.07041	98.1
95.04945	18.1
95.08607	46.4
97.06530	5.0
105.04539	4.1
105.07027	67.9
107.08594	67.5
109.06516	16.2
109.10181	18.2
111.08042	4.0
117.07011	13.3
119.08582	62.7
121.06490	6.7
121.10151	46.7
123.08091	4.8
123.11668	4.2
128.06245	2.9
129.06982	10.2
131.08572	24.0
133.10124	54.4
135.07993	5.2
135.11694	45.4
137.09586	5.4
143.08604	11.3
145.10123	27.2
147.11696	50.4
149.09634	4.2
149.13264	31.5
151.11198	4.0
156.09360	3.3
157.10117	9.4
159.11708	21.1
161.13286	32.1
163.11134	10.0
163.14806	13.8
165.12730	14.3
171.11641	15.2
173.13261	9.6
175.11238	7.4
175.14812	16.4
177.12714	5.0
185.13264	15.5
199.14827	8.9
213.16284	3.7
221.15303	2.9
231.21083	4.4
241.19551	32.9
243.08763	4.0
259.20581	100.0
260.20831	4.1
277.21683	14.0
289.21533	12.0
315.21310	4.2
333.17307	6.7
333.24210	11.5
351.18573	9.0
351.21857	5.2
351.25229	97.7
351.28857	22.8
352.17438	7.1
352.25537	7.3
356.28857	3.9
369.19318	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	351.2531
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
53.03939	3.2
53.59914	1.5
54.33141	1.3
55.01883	2.1
55.05289	1.7
55.05510	18.5
57.03440	17.7
57.07062	2.6
67.05505	52.2
69.03416	2.3
69.07067	18.6
69.55366	4.3
71.04997	2.7
71.08630	51.0
73.21443	1.3
79.05493	46.7
81.03406	7.2
81.07056	53.8
83.04988	8.4
83.08620	12.0
85.06531	6.9
91.05479	33.5
93.06447	2.9
93.07045	60.9
95.04967	13.3
95.08605	43.5
97.06536	9.4
97.10153	3.1
98.23442	3.1
99.08096	35.6
105.04512	2.1
105.07023	29.0
107.04963	8.6
107.08593	36.1
109.06537	2.3
109.10161	19.0
111.08039	4.0
113.09635	3.7
117.07015	6.7
119.08572	24.9
121.10153	31.9
123.08070	3.9
123.11696	3.1
123.50304	1.7
129.06999	3.9
131.08548	6.7
133.10133	18.8
135.11697	32.6
135.12729	1.2
137.09618	3.7
139.11183	2.4
141.09100	4.1
143.08510	2.3
145.10130	7.6
147.11690	12.5
149.09660	2.9
149.13245	12.4
151.11183	21.2
151.18802	1.7
153.12741	2.3
157.10129	4.1
159.11699	6.0
161.13246	15.9
163.11160	9.0
163.14780	3.7
165.12782	2.8
167.10683	3.1
171.11714	3.9
173.13284	4.5
175.14769	2.7
177.12755	4.0
179.14305	100.0
180.14629	4.7
185.01785	1.6
185.13275	3.9
189.12744	3.1
195.13753	3.0
199.14813	2.2
207.13835	2.2
221.15372	4.1
235.16928	6.1
241.19402	4.4
259.20581	14.9
277.21631	44.1
277.81537	1.5
278.21948	4.7
295.21338	1.4
351.16156	3.8
351.21512	4.5
351.25266	54.6
352.17459	3.6
352.25534	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.4
55.01873	7.0
55.05510	27.8
57.03436	29.3
57.07047	2.2
65.03934	3.3
67.05504	53.8
69.07073	27.3
69.24903	7.3
69.25314	3.9
70.07160	1.9
71.04990	2.9
71.06954	1.9
71.08624	9.7
72.78142	2.1
74.81252	2.6
77.82553	2.4
78.69047	2.0
79.05495	57.2
81.03412	4.5
81.07056	62.6
83.04976	5.9
83.08635	15.0
85.06544	8.2
89.62698	2.0
91.05479	47.1
93.07047	65.9
94.07352	2.7
95.04949	6.1
95.08607	50.2
97.06514	7.9
97.10188	5.2
99.08099	8.5
105.07030	43.0
107.08599	43.3
109.06506	7.9
109.10155	15.4
111.08067	5.2
117.07016	8.4
119.08571	41.5
121.10143	34.7
123.08076	3.7
123.11731	4.6
125.09637	3.0
129.07010	4.8
131.08539	14.1
133.10129	32.3
135.11694	33.4
137.09691	3.9
139.11200	2.9
143.08588	4.7
145.10095	16.0
147.11676	44.4
149.13251	20.1
151.11223	5.2
157.10144	8.7
159.11678	17.7
161.13264	25.0
163.11182	4.8
163.14824	6.4
165.12755	3.5
171.11714	9.9
173.13243	7.8
175.11258	2.7
175.14841	7.3
179.14211	10.7
185.13222	9.9
187.14842	6.0
199.14816	6.1
203.18016	2.4
213.16394	3.4
221.18945	3.6
231.21080	5.5
241.19505	22.4
259.20609	55.5
260.20987	5.0
277.18967	2.8
277.21652	27.6
333.24280	4.9
351.25278	100.0
352.25568	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	351.2532
Annotation	13,14-dihydroxy-11-mulinen-20-oic acid
Peak:m/z	Relative Intensity
52.37044	1.3
53.03936	2.5
55.01878	7.7
55.05519	9.9
56.98343	1.4
57.03427	3.1
57.07076	4.4
62.16572	1.2
65.03926	1.2
67.05505	19.5
69.03447	1.5
69.07066	16.1
71.04999	2.9
71.08643	6.2
79.05492	16.1
81.03414	7.4
81.07064	23.9
83.04975	5.3
83.08621	4.1
85.06535	2.9
91.05501	9.8
93.07040	21.1
95.04959	15.0
95.08613	17.1
97.06536	7.8
97.10180	2.6
99.08079	3.6
101.06008	1.7
104.99303	2.5
105.07038	12.9
107.04936	2.0
107.08592	10.8
109.06515	42.6
109.10153	7.8
111.08069	2.9
117.07014	3.2
119.08580	9.9
121.06506	7.7
121.10139	8.0
123.08085	3.9
123.11749	2.3
125.09627	2.0
131.08594	7.0
133.10095	8.1
135.08055	5.8
135.11710	4.0
137.05991	2.1
137.09622	5.0
143.08554	1.6
145.10153	6.7
147.11653	6.4
149.09627	2.6
149.13254	2.5
151.11180	5.8
157.10185	2.4
159.11771	3.6
161.13289	4.3
163.11104	6.6
163.14865	1.7
165.12756	51.9
166.13078	2.4
173.13293	4.6
175.11194	2.4
177.12724	1.7
187.14767	1.6
191.14359	6.7
221.15417	1.9
233.15408	2.3
261.17850	1.2
261.22189	4.0
270.46326	1.7
272.84778	1.3
277.21677	11.2
280.22891	1.2
289.21643	37.8
290.21848	2.4
295.18900	5.1
307.22729	1.7
333.24374	2.9
351.25284	100.0
352.17545	4.0
352.25552	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01575	1.3
53.03929	3.6
54.97348	0.9
55.01864	2.6
55.05261	2.1
55.05514	31.0
57.03438	42.9
57.07080	9.9
59.04995	1.1
65.03937	3.0
67.05505	65.8
67.49681	1.0
68.05839	1.2
69.03413	1.2
69.07069	23.2
69.50791	4.5
71.04994	2.6
72.47922	0.9
75.27116	1.0
77.03915	2.9
79.05495	70.1
80.05837	1.4
81.03409	1.2
81.07059	80.7
81.21523	1.0
82.07389	1.9
83.04988	5.2
83.08620	17.2
85.06540	12.6
89.89945	1.1
91.05480	47.5
92.05817	2.0
93.07046	89.8
94.07384	2.9
95.04977	7.8
95.08606	56.8
96.08945	1.3
97.06528	4.7
97.10174	4.7
98.23450	2.4
99.08086	4.4
105.04521	3.1
105.07030	50.2
107.04926	1.8
107.08595	52.7
108.08946	1.9
109.06528	3.7
109.10153	22.7
110.10458	1.1
111.08096	4.7
111.11716	1.2
113.09670	2.0
117.07008	14.2
119.08578	39.7
120.08904	1.8
121.09265	2.0
121.10144	41.4
123.08080	4.1
123.11699	6.8
125.09634	2.0
129.07008	5.9
131.08569	21.1
133.10129	36.8
135.08043	1.9
135.11693	40.2
136.11992	1.3
137.09618	11.2
139.11134	2.4
143.08566	7.0
145.10127	18.8
147.11679	39.2
149.09584	2.8
149.13248	24.3
150.13557	2.1
151.11160	4.3
157.10092	6.7
159.11705	18.5
161.13255	21.5
163.11151	4.3
163.14838	6.5
165.12750	4.7
171.11688	8.3
173.13242	9.4
175.11122	1.7
175.14818	10.5
177.12798	5.2
177.16341	1.4
179.14285	1.3
181.12181	1.2
185.13229	9.3
187.14812	9.8
189.12828	1.7
193.15886	2.6
199.14825	5.8
201.16362	1.9
203.14304	2.5
203.17899	2.2
205.15877	4.1
207.13771	1.7
209.89461	1.1
213.16405	3.9
215.18024	1.5
219.17368	1.1
221.18968	2.5
231.21112	4.8
235.16809	1.1
241.19511	19.0
242.19865	1.5
259.20575	55.3
260.20984	5.5
269.17502	1.2
277.21613	30.5
293.20987	1.4
333.24243	5.5
351.20880	3.5
351.25284	100.0
352.25601	9.5
352.45584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	5.3
55.01874	4.0
55.05516	29.8
57.03443	19.4
57.07071	7.2
65.03947	4.6
67.05508	100.0
69.03419	2.8
69.07073	27.2
70.53090	2.6
71.04993	5.7
71.08633	71.6
72.08955	2.0
77.03927	2.3
79.05499	55.5
80.05870	1.7
81.03425	14.6
81.07059	71.4
82.07407	1.7
83.04974	11.4
83.08621	16.2
85.06551	4.3
85.10181	1.7
91.05485	36.3
93.07052	59.9
95.04970	18.1
95.08608	42.6
97.06544	10.2
97.10164	11.4
99.08099	56.0
105.04572	3.2
105.07033	34.0
107.04960	6.1
107.08595	37.1
109.06532	7.2
109.10165	25.3
111.08092	5.7
113.09657	2.6
117.07040	8.9
119.08601	28.6
121.06551	3.0
121.10162	20.4
123.08078	4.0
123.11719	4.0
125.09645	9.1
127.11219	3.6
129.07033	4.8
130.09042	1.8
131.08594	7.3
133.10143	16.9
135.08095	4.2
135.11691	23.4
137.09637	3.0
143.08566	5.0
145.10149	11.6
147.11690	20.6
148.12038	2.1
149.09636	2.4
149.13287	14.2
151.11182	33.4
151.12271	2.9
153.09172	2.3
157.10138	3.6
159.11737	5.1
160.11996	2.3
161.13268	23.0
163.11182	14.9
163.14854	6.5
165.12781	5.4
169.12265	1.9
171.11708	7.4
173.11833	3.6
173.13304	5.4
175.11189	2.0
175.14844	7.1
177.12796	3.6
179.14323	26.0
185.13289	4.3
189.11217	5.0
189.12672	3.4
193.15935	2.6
195.09892	14.4
199.14894	2.6
207.14024	2.7
217.19598	3.0
217.24118	1.8
221.15289	3.5
231.21170	4.8
235.16982	2.9
241.19577	13.3
249.22249	2.4
259.20605	18.7
260.20731	2.1
271.12997	1.8
277.18539	3.3
277.21634	70.5
278.22073	4.0
322.74301	1.7
335.27670	2.0
351.15466	19.2
351.21350	70.1
351.25363	78.3
352.21704	7.2
352.25699	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	351.2531
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
53.03942	7.7
55.01862	6.1
55.05257	3.2
55.05514	45.5
57.03435	24.9
57.07076	5.7
65.03947	5.8
67.05506	100.0
68.05832	2.0
69.03448	2.7
69.07070	32.8
70.70690	3.3
71.04997	4.7
71.08636	56.4
79.05042	3.0
79.05501	55.9
81.03419	25.9
81.07060	71.1
83.04991	13.0
83.08617	19.5
85.06541	5.8
91.05479	40.6
93.07048	61.0
95.04971	19.4
95.08613	41.9
97.06548	8.5
97.10168	12.5
99.08095	44.1
105.04547	3.4
105.07036	38.2
107.04950	4.9
107.08602	40.8
109.06548	5.5
109.10161	28.1
111.08036	2.8
113.09637	2.4
117.07020	8.8
119.08598	24.8
121.06493	2.7
121.10165	19.1
123.08070	4.2
123.11757	4.6
125.09630	12.0
127.11237	2.2
129.07031	5.6
131.08559	8.0
133.10117	18.9
135.08075	2.2
135.11717	22.0
137.09637	5.9
137.13223	2.8
143.08562	7.1
145.10141	11.7
147.11690	20.1
149.13278	15.7
151.11191	33.8
157.10178	3.8
159.11697	6.2
161.13264	25.9
162.13556	2.0
163.11192	10.9
163.14819	5.7
165.12766	4.2
171.11691	8.3
173.13254	5.1
175.11209	2.9
175.14856	5.4
179.14307	17.7
185.13240	4.8
189.11200	7.5
189.12712	3.2
195.09918	7.2
209.15323	1.9
209.22960	2.0
221.15378	6.5
231.21046	3.1
241.19540	12.2
249.22191	4.5
259.20538	26.5
277.21634	75.6
278.21964	8.2
338.07681	2.6
351.21356	55.4
351.25339	94.0
352.21579	4.7
352.25470	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01858	7.6
55.05509	17.5
56.00319	1.9
57.03421	8.4
57.07069	4.1
61.40417	1.8
65.03906	2.3
67.05159	2.7
67.05505	34.6
68.04057	1.8
69.07062	16.6
69.79639	4.2
69.80007	4.5
71.04996	2.1
75.04468	2.4
79.05491	56.4
81.07052	73.4
83.04951	4.7
83.08618	5.0
85.06522	5.5
91.05478	37.7
93.07042	73.8
95.04961	6.3
95.08604	35.5
97.06507	4.5
97.10136	2.0
101.72883	1.9
105.03379	3.3
105.07025	43.6
107.08596	38.1
109.06499	14.3
109.10139	12.6
111.04450	14.8
111.08064	4.6
113.09619	2.0
117.07010	8.9
119.08583	45.0
121.06532	2.2
121.10130	33.6
122.10478	2.7
123.08079	5.3
123.11714	3.0
125.05983	3.8
129.06989	5.6
131.08539	15.2
133.10123	35.3
135.08047	4.3
135.11687	34.4
137.05965	100.0
137.09583	2.4
137.13217	3.2
143.08578	9.3
145.10118	16.9
147.11671	34.1
149.09618	7.9
149.13254	18.4
151.11159	3.5
157.10107	8.4
159.11702	13.3
161.09601	7.3
161.13240	22.4
163.11221	5.7
163.14827	8.2
165.09103	3.0
170.24136	2.2
171.11671	13.3
173.13281	8.2
175.11177	4.8
175.14877	10.5
177.12700	3.6
185.13280	12.0
187.14847	2.6
189.12827	3.5
199.14815	7.4
203.14357	2.8
203.17926	7.0
213.16284	4.1
215.17857	2.5
231.17421	10.6
231.21091	4.6
241.19511	24.5
244.96748	2.3
249.18436	11.2
259.20563	65.0
260.20883	3.9
269.11301	4.6
277.17987	48.9
277.21524	7.6
278.18286	2.4
292.30823	2.0
295.18845	4.8
333.20483	2.9
333.24228	6.2
351.21329	40.9
351.25317	53.3
352.21680	2.8
352.25519	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	352.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01860	0.6
57.03426	0.3
61.02908	0.5
65.03918	0.4
65.11242	0.2
67.05502	0.9
68.99789	1.0
69.03425	2.4
69.06715	0.3
69.07067	5.3
71.04974	0.4
71.46573	0.2
72.08144	0.2
73.02889	0.6
79.05077	0.2
79.05477	1.0
81.03425	1.7
85.02904	6.4
86.09692	0.4
87.00826	2.9
89.03894	0.7
91.05473	0.8
93.03384	0.3
93.07030	0.2
95.04408	0.2
95.04963	2.7
97.02892	3.8
99.04440	0.8
102.05504	0.5
105.01865	6.2
105.03366	0.2
107.04954	2.7
108.04498	0.3
109.02869	1.8
109.10143	0.2
111.08095	0.3
115.03859	0.3
117.01826	0.2
117.03380	0.6
119.04918	0.3
121.02853	1.2
123.04384	0.3
127.03913	6.3
129.01860	0.2
129.05222	0.2
135.04414	4.8
135.05464	0.2
136.06172	0.4
137.02341	3.2
139.03844	0.2
145.02898	1.3
145.04958	4.4
146.06015	4.5
147.04419	0.3
147.06332	2.2
148.30391	0.2
149.02299	0.7
153.09062	0.3
159.02896	1.0
160.22868	0.2
161.02338	3.5
163.03902	14.2
165.05504	0.3
167.03403	0.2
174.05438	0.3
175.03902	0.2
176.01074	0.4
177.05507	0.6
177.09082	0.3
179.03340	0.5
180.06557	0.3
181.04964	4.6
181.06520	0.3
189.03918	0.3
190.02487	0.2
191.03389	8.0
194.02216	0.2
195.08127	0.4
195.10127	0.4
198.07680	0.2
199.07788	0.2
203.03365	0.2
209.04427	1.4
211.07401	0.2
213.04030	0.3
215.03255	0.1
219.02948	0.3
220.11909	0.3
223.07545	0.3
227.06914	0.2
231.04979	2.6
245.04465	0.4
249.06160	1.2
251.07022	0.7
251.09276	0.3
254.05789	0.4
255.06499	1.0
261.05496	0.2
268.07346	0.3
269.08023	0.8
275.10330	0.2
279.06528	1.1
282.05197	0.4
283.06000	1.1
295.06030	3.2
296.06787	0.3
297.07565	26.8
299.05484	0.3
299.11240	0.2
307.05991	1.1
310.04697	1.8
311.05411	0.7
321.10800	0.5
323.05554	0.6
324.06171	1.9
325.07053	71.5
335.05594	0.3
352.05646	0.6
352.20093	0.2
353.06531	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1617
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
53.23298	0.9
57.03443	1.2
69.07082	1.0
72.08166	1.5
81.55000	0.9
85.02882	1.0
88.69379	0.9
93.80602	0.9
105.01912	1.1
116.98580	0.8
123.95255	0.9
136.06189	85.8
137.06595	2.2
145.02826	3.5
148.06160	2.2
177.05476	7.9
185.08229	4.8
202.10831	7.4
217.08615	1.1
220.11940	100.0
221.12180	3.9
221.68723	0.8
229.93590	0.9
231.80081	1.1
251.09097	4.3
352.16373	11.8
352.22031	2.9
353.20636	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08002	1.2
55.01865	2.2
55.05513	4.2
55.66852	1.3
56.96564	1.2
57.03441	4.1
58.44349	1.4
67.05505	15.0
69.03117	1.4
69.03429	8.7
69.07063	4.7
69.42290	5.8
71.04990	9.9
72.08139	1.3
81.07056	6.2
83.08623	2.0
85.02886	10.7
85.06532	2.3
86.83419	1.4
90.75594	1.2
91.05501	13.9
93.07045	16.2
95.04961	2.0
95.08607	68.6
96.08972	1.5
97.02909	2.8
97.06534	2.2
99.04466	4.4
99.05581	1.5
99.08116	2.7
108.16087	1.3
109.02859	1.6
109.06506	1.3
109.10158	32.0
111.08100	4.1
113.05978	2.3
113.09637	2.3
119.08592	38.2
120.08156	1.3
120.08916	1.5
121.06533	2.6
121.82587	1.2
125.09635	1.5
127.03987	2.1
127.07560	1.4
127.11198	1.5
129.09096	1.9
137.06015	1.9
137.09615	83.8
138.09956	4.1
141.09119	2.2
145.02963	1.7
145.04974	3.6
147.04469	1.8
155.10669	100.0
156.11032	4.2
159.08070	1.5
173.11734	67.5
174.12062	2.7
200.07047	2.0
204.10231	4.1
272.05566	2.4
321.14444	8.9
352.13849	3.4
352.17569	4.0
353.16815	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	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08374	0.6
53.03941	0.7
55.05513	5.4
57.03424	0.7
57.07068	2.7
59.05001	4.3
60.04516	0.7
61.02924	0.9
67.05492	1.9
69.03419	2.8
69.07065	2.4
69.69230	2.1
71.04992	1.9
72.46125	0.6
73.06558	0.8
73.08544	0.7
73.84586	0.6
79.05488	1.1
81.07059	14.0
81.07520	0.5
83.08627	5.5
84.04523	0.7
85.02904	6.6
85.06549	4.2
85.98122	0.6
91.03925	0.6
91.05492	1.5
93.07028	0.7
95.08018	1.3
95.08607	18.4
97.02885	3.8
97.10173	10.8
99.08114	0.9
100.95481	0.6
105.07049	1.8
107.04968	1.0
109.02917	0.7
109.06516	0.7
109.10141	1.2
111.11692	1.0
127.03917	1.1
130.04936	0.6
131.04938	2.7
131.08577	2.4
133.10114	1.4
137.13257	43.0
138.13606	1.5
144.70454	0.7
155.14307	100.0
156.14648	4.1
159.08035	5.0
161.09555	1.3
171.07683	0.7
173.15385	16.0
187.07607	1.6
191.06956	0.7
205.08629	0.9
305.36203	0.6
310.34415	0.6
352.13623	2.1
353.15887	3.4
378.30524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95227	2.1
54.97817	1.7
55.05511	18.9
58.13979	1.8
67.05506	23.4
69.07074	11.9
70.16076	4.9
71.42062	2.2
74.76964	2.0
79.04778	2.3
79.05499	18.3
81.07060	40.3
83.04983	8.7
83.08600	3.5
85.06559	3.3
91.05493	13.3
91.12939	1.8
93.07052	24.3
95.04954	9.3
95.08607	36.8
97.06541	8.5
105.07027	36.0
107.04911	2.9
107.08589	27.5
109.06537	4.3
109.10159	78.4
110.10500	2.5
111.08089	2.5
115.05467	2.3
117.07018	6.9
119.08572	34.9
120.08927	1.9
121.06484	6.0
121.10155	14.8
123.11712	6.0
125.06014	12.0
125.09628	2.1
129.06993	4.4
131.08569	21.7
133.10143	20.5
135.08092	2.9
135.11713	9.3
143.08557	9.1
144.09149	2.0
145.10144	21.7
147.08076	4.2
147.11684	14.5
149.06003	5.9
149.13281	10.8
151.07555	4.5
151.11168	3.9
155.08524	5.5
156.09315	2.7
157.09018	2.3
157.10118	10.4
159.11697	16.2
161.09583	5.6
161.13257	10.7
163.07564	3.0
163.11232	5.8
163.14813	2.4
169.10136	6.4
171.11726	10.9
173.09616	4.0
173.13274	39.0
175.11269	3.0
175.14835	7.9
177.09076	3.0
177.12683	3.8
178.61717	2.1
182.10867	2.4
183.11757	6.0
185.13301	5.9
187.14839	6.0
189.09122	2.7
189.16420	4.7
191.10667	6.6
191.14420	3.6
197.13214	11.8
198.13936	2.1
199.14784	5.7
201.12749	6.0
211.14822	4.3
213.16463	2.3
215.14308	5.1
217.15958	6.2
219.13809	7.6
229.12375	2.6
229.16025	2.4
241.19600	3.1
243.13821	6.7
243.21071	2.2
253.19476	18.7
271.20575	28.5
281.18985	8.4
287.20099	2.4
289.21631	51.4
290.21878	3.6
292.22733	2.7
299.20056	84.4
300.20377	4.3
317.21094	100.0
318.21503	7.6
335.22021	2.7
352.17068	6.7
352.21616	9.2
352.25418	11.6
353.17108	3.6
353.22443	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	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.2
55.05514	38.2
57.63277	1.5
67.05517	9.6
69.07067	7.2
69.67727	4.2
69.68087	3.7
71.08649	2.6
79.05498	14.1
81.07059	19.2
83.04977	18.6
83.08618	3.0
91.05498	9.4
93.07043	16.8
94.07414	2.6
95.04992	4.1
95.08603	17.2
97.06548	5.8
105.07027	19.2
106.07389	2.4
107.04934	2.7
107.08588	14.5
109.06510	2.4
109.10155	10.9
111.08071	4.9
112.94798	1.7
117.07011	2.3
117.43359	1.8
119.08598	21.8
121.06481	2.9
121.10117	8.1
123.08028	2.0
123.11736	2.4
125.06009	14.5
129.06854	1.9
129.15253	1.5
131.08565	16.7
132.08920	2.2
133.06514	7.3
133.10146	10.2
135.11714	3.6
137.05971	4.1
137.09596	2.7
138.41180	2.1
143.08575	6.1
144.09430	2.2
145.10139	13.0
147.08066	2.8
147.11716	4.2
149.06013	2.4
149.09656	2.1
149.13220	9.1
151.07571	4.2
151.11195	4.1
154.29582	1.6
155.08597	2.4
157.10150	6.3
159.08110	3.0
159.11710	9.5
161.09702	1.9
161.13326	8.1
163.11188	6.5
163.14737	2.0
165.12813	3.6
169.10155	3.0
171.11728	8.0
173.09752	2.2
173.13257	42.5
174.13654	2.1
175.07623	1.7
175.11208	3.6
175.14838	2.4
177.12764	4.8
182.10896	1.7
183.11708	6.3
187.14806	9.0
187.69592	1.9
189.16411	3.8
197.13268	11.5
199.14806	4.3
201.12762	10.1
206.30287	1.6
211.14897	2.7
215.14351	9.7
217.15852	10.0
219.13799	6.2
225.12709	2.8
243.13779	10.2
253.19504	12.7
253.42349	1.8
260.20886	4.3
271.20557	40.6
272.20825	4.1
278.21945	4.0
281.19025	12.4
299.20065	92.1
300.20380	5.7
317.21103	100.0
318.21332	8.4
352.18536	5.7
352.25504	10.6
371.06454	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.7
59.70025	2.4
67.05489	6.3
69.07046	4.2
69.20013	15.2
71.04961	2.4
71.46719	2.7
79.05488	18.9
79.24665	2.3
81.07061	100.0
82.07375	3.5
83.08601	3.4
91.05475	3.0
93.07043	9.9
95.04956	2.7
95.08592	13.4
97.06525	5.0
98.22700	6.1
105.07037	10.8
107.08601	11.5
109.10159	13.9
119.08601	11.4
121.06501	3.3
121.10159	6.7
123.11729	4.1
130.94566	2.3
131.08575	5.4
133.10135	7.1
143.08533	5.1
145.10083	6.6
147.11732	4.4
149.13286	3.0
155.08542	2.5
157.10059	2.9
159.11681	6.6
163.14780	6.4
173.13225	16.6
175.14868	3.1
176.58353	2.9
183.11743	3.3
191.14279	9.7
209.15431	4.9
219.13820	5.0
225.09407	2.5
237.14841	4.7
243.21268	3.9
253.19579	4.7
262.56412	2.8
271.20563	18.8
272.41922	2.5
289.21588	23.2
299.20172	13.7
311.63412	2.6
317.21158	11.7
335.22217	4.6
336.72849	2.7
343.32245	2.9
352.17603	9.4
352.24500	3.2
366.12479	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	352.2638
Annotation	Dodecylphosphocholine
Peak:m/z	Relative Intensity
54.18019	0.4
55.05511	1.7
57.07077	0.8
59.05457	0.4
67.05505	3.0
69.07071	2.2
71.47617	0.5
79.05486	0.5
79.22919	0.4
81.07059	2.6
83.08620	0.7
87.66314	0.4
91.05479	0.4
93.07045	0.9
95.08611	2.0
101.62106	0.4
105.07021	0.6
105.33121	0.4
107.08578	0.5
109.10184	1.1
111.08123	0.9
114.62693	0.5
119.08592	0.5
121.10155	0.7
125.27290	0.4
135.10527	0.6
148.11197	1.0
158.06033	1.0
159.06804	31.1
160.07617	3.4
172.07584	16.3
172.09120	0.5
173.08241	2.1
183.06853	0.9
184.07596	5.8
185.08377	2.0
186.09151	2.3
198.09128	5.6
199.09906	3.2
200.10600	0.8
206.17383	0.4
210.09099	0.6
212.10696	2.5
226.12320	1.0
228.13765	0.6
241.22025	0.4
261.22137	0.7
334.16516	0.6
352.17621	6.8
352.26346	100.0
353.17990	0.7
353.26721	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	352.306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58438	1.7
55.05506	2.6
57.07081	32.0
62.53743	1.1
64.23604	1.3
67.05498	3.3
69.07082	2.0
69.41371	4.8
69.41769	2.4
71.08634	30.3
72.08124	1.8
73.06548	4.7
81.07050	3.8
83.08615	4.6
85.10184	26.5
87.04488	1.3
87.26782	1.4
89.06034	100.0
90.06364	2.3
93.07047	3.3
95.08606	4.3
99.08088	1.4
99.11763	2.1
107.07048	5.7
109.10162	2.2
121.06507	1.8
121.10152	2.1
133.08601	33.7
141.16388	1.8
151.09669	5.3
165.12775	4.6
172.91312	1.3
177.11214	9.6
185.19098	2.6
195.12280	40.3
195.14044	2.3
229.21573	4.4
236.20036	1.6
291.24963	1.5
320.75525	1.4
334.27441	7.3
335.27927	58.0
336.28473	3.0
352.17538	5.5
352.25082	3.3
352.32059	3.1
353.26529	1.7
358.77881	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0845
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
70.46976	3.5
79.06485	2.2
85.31987	2.0
87.81542	2.3
98.23416	2.5
99.33263	2.2
131.70602	2.3
141.25078	2.3
145.02849	3.9
147.04460	3.3
149.94794	2.3
173.89786	2.6
177.05511	5.9
185.04225	64.3
185.05884	3.5
191.03189	10.3
228.69141	2.2
251.09253	3.8
317.11252	3.3
335.12579	2.8
353.08401	100.0
354.08649	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	353.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28777	3.5
62.67232	3.5
63.83421	3.9
64.67740	3.5
70.06577	19.3
71.45889	4.6
79.05485	8.7
88.04012	5.5
91.05466	5.1
95.05019	3.7
97.07675	11.6
107.04957	6.9
109.06579	6.6
112.72116	4.9
113.06019	5.9
116.07090	31.1
117.03391	15.9
117.97704	3.9
121.06561	4.5
121.34676	3.4
122.03650	10.8
125.05986	6.2
125.07096	4.2
140.75867	3.9
143.22173	4.0
145.02834	65.3
147.04442	7.0
149.05975	6.8
162.03137	8.3
167.07031	93.7
177.05473	100.0
177.07852	5.2
178.05853	4.9
192.27257	4.0
206.57539	3.5
219.06599	11.8
230.08163	4.9
251.09148	43.5
271.10745	6.2
289.12054	7.3
290.10278	6.3
300.08707	7.6
309.14407	8.2
317.11282	16.9
335.12408	18.0
336.10916	11.8
353.13593	3.9
353.20828	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25620	0.2
65.03944	2.0
67.05507	0.4
69.21358	1.5
70.06604	0.4
76.20191	0.2
79.05495	1.8
83.64832	0.3
88.94397	0.3
88.95002	0.2
91.05484	58.0
92.05811	1.9
93.07055	0.3
95.04964	0.4
105.07009	0.3
107.00500	0.8
107.08557	0.3
108.01280	7.7
126.02299	0.5
130.89586	0.3
151.07538	0.4
165.09114	0.8
177.09134	1.0
183.03593	7.8
184.04341	2.0
185.05164	5.5
202.05391	0.4
258.68866	0.3
261.05557	0.5
261.08301	7.8
261.18475	0.3
262.09067	15.0
263.09396	1.0
293.07306	1.0
294.08066	5.5
294.24210	1.0
353.14526	100.0
353.22678	6.9
354.14871	10.8
354.19269	0.5
354.26889	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03661	0.7
53.75359	0.6
56.96556	0.8
61.19647	0.6
69.75611	0.7
70.05202	1.3
70.05538	1.0
72.93711	0.8
73.17510	0.7
81.07081	0.8
93.07047	1.8
98.97595	2.8
100.11230	0.8
107.08586	1.0
110.45918	0.7
110.97609	1.0
116.98607	1.3
124.60763	0.6
133.10104	0.7
140.21751	0.8
146.99660	1.1
178.18898	0.8
180.53165	0.8
185.04218	41.1
186.04584	1.3
191.10431	10.6
237.03032	1.1
251.09514	0.9
342.73196	0.8
353.15732	100.0
353.21884	4.2
354.16058	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	353.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
67.76610	0.5
69.07086	0.6
70.94579	0.5
76.09533	0.4
84.08146	0.5
86.09694	1.4
89.03906	3.9
95.05009	0.4
107.51114	0.4
117.03384	19.1
119.04927	1.2
128.99921	0.4
129.10266	0.7
129.80322	0.4
134.03606	0.9
135.04399	1.1
145.02849	71.0
146.03180	2.8
147.04420	1.8
149.05969	7.2
162.03139	7.0
163.03860	1.3
171.04419	1.1
174.03114	1.1
175.03951	1.7
177.05473	100.0
178.05840	4.3
186.05490	1.1
201.05322	0.5
203.07048	0.8
215.07007	0.6
219.06522	14.0
220.06853	0.9
229.09756	0.5
251.09152	63.9
252.09499	3.4
256.50607	0.5
276.12326	0.9
289.56116	0.5
290.10239	1.6
310.81696	0.4
312.11026	0.5
318.09619	0.8
336.10767	1.5
336.17975	1.0
353.12134	0.9
353.20728	25.8
354.21075	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	353.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38937	2.5
64.84435	2.2
70.63625	3.6
79.06686	2.2
86.09757	2.5
117.03390	15.1
129.36119	2.1
145.02853	67.6
145.03931	4.4
149.05988	6.5
149.51334	2.2
162.03160	6.2
173.68562	2.4
177.05489	100.0
178.05769	5.7
219.06540	14.3
251.09189	43.7
252.09515	4.2
288.80127	2.7
296.96106	2.3
353.20786	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12237	0.4
57.03411	0.7
67.01397	0.4
69.82590	0.9
75.04497	0.5
82.39897	0.4
84.08112	0.6
86.09692	1.2
89.03902	4.1
96.82410	0.4
101.25005	0.5
110.32133	0.5
117.03376	19.2
118.03707	0.9
119.04933	0.7
129.10243	1.0
130.08621	0.4
134.03607	1.2
135.04431	1.0
145.02840	73.1
146.03175	3.3
147.04398	1.7
147.08202	0.5
149.05968	6.1
152.59627	0.4
162.03114	7.3
163.03853	1.2
171.04482	1.2
173.02431	0.6
174.03098	0.8
175.03876	1.5
177.05464	100.0
178.05833	4.5
186.05411	0.5
201.10240	0.6
203.07106	0.7
215.07104	0.5
219.06526	14.2
220.06848	0.6
220.61996	0.4
251.09145	71.7
252.09436	3.5
252.60350	0.5
270.38019	0.5
279.16907	0.6
279.75717	0.5
293.70184	0.5
336.18002	0.7
353.06390	0.6
353.17096	1.8
353.20728	28.4
354.20990	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53137	0.3
51.02387	0.5
53.03943	1.0
55.01876	0.6
56.75124	0.4
59.64596	0.3
60.92587	0.4
63.63173	0.4
67.03395	0.4
67.05510	0.4
69.07071	2.7
69.58141	0.4
70.11048	0.9
77.03938	1.3
79.05480	1.8
81.07021	0.4
84.08132	0.8
86.09708	12.0
87.10033	0.4
91.05490	2.8
92.55277	0.4
93.07043	0.8
95.04967	7.0
95.05531	0.6
95.08606	0.5
98.97585	0.5
105.03395	100.0
105.04530	3.6
106.03743	2.3
106.94907	0.4
107.08564	0.5
109.10152	0.4
118.06564	0.4
119.08596	1.9
122.06036	2.0
122.09714	0.6
134.06024	3.7
147.08057	1.3
164.10742	0.6
165.09148	0.4
190.12274	22.9
191.12602	1.2
207.14938	3.3
232.16951	3.4
250.18069	1.1
353.22260	18.8
354.22635	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10290	0.3
60.63578	0.3
61.67648	0.3
69.33176	0.3
81.07047	0.5
93.07013	0.3
102.67386	0.3
117.75416	0.3
147.69832	0.3
160.94165	0.3
235.13101	0.4
335.21738	0.6
353.22992	100.0
354.23294	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01849	1.3
55.05514	14.4
57.03439	5.9
57.07077	5.9
57.21441	1.1
65.03946	3.6
66.18369	1.1
67.05510	94.4
68.05859	2.9
69.07067	15.0
71.05011	1.9
71.08641	2.4
79.05495	53.5
79.05952	2.8
81.07060	95.2
81.09193	1.3
82.07370	2.2
83.08625	7.2
85.06540	3.4
91.05486	21.0
93.07049	65.7
94.07387	1.8
95.04971	4.5
95.08610	70.2
96.08961	2.3
97.06532	3.9
97.10175	3.7
99.08093	3.7
105.07035	16.6
107.08601	38.3
108.08904	2.3
109.06561	1.8
109.10160	35.1
110.10493	2.5
113.09680	1.7
117.07014	9.8
119.08585	16.8
121.10149	41.8
123.11718	18.5
131.08568	24.6
133.10141	16.4
135.11693	24.2
137.09651	1.3
137.13251	7.3
139.11252	1.3
141.12766	1.7
145.10139	17.8
147.11699	11.9
149.09682	1.2
149.13260	21.1
151.14796	2.8
153.12784	1.9
159.11710	16.3
161.13292	9.1
163.14807	14.6
163.50101	1.3
173.13274	17.0
175.14838	4.2
177.16432	5.6
179.14322	1.3
183.13789	2.8
187.14824	10.3
191.14322	1.4
199.64246	1.2
201.16414	3.9
205.15771	2.1
228.84210	1.2
233.22691	5.6
243.18652	2.0
243.21097	26.6
244.21390	1.4
261.22147	100.0
262.22479	7.0
279.23209	5.2
284.72476	1.4
335.25839	9.7
353.17563	1.7
353.22601	2.0
353.26886	30.7
354.27155	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44870	1.1
55.01851	1.4
55.05511	12.6
57.03431	4.1
57.07072	4.1
63.35807	1.3
65.03938	1.9
67.05504	79.1
69.07065	9.8
69.96136	3.6
71.04995	1.6
71.08619	2.4
77.03934	1.2
79.05037	2.2
79.05496	37.8
80.23383	1.1
81.07053	89.2
83.08615	6.0
85.06536	2.3
91.05477	16.2
93.07045	58.8
94.07363	1.5
95.04962	3.5
95.08605	58.0
96.08937	1.8
97.06516	1.9
97.10162	1.5
99.08112	2.5
105.04547	1.4
105.07037	14.9
107.08595	36.9
108.43451	1.2
109.06528	2.1
109.10160	31.3
117.07026	7.5
117.19949	1.2
119.08591	14.2
121.10148	30.9
122.10501	1.5
123.11706	18.0
131.08571	18.1
132.08875	1.3
133.10124	10.3
135.10747	2.3
135.11691	25.6
137.09521	1.2
137.13248	5.3
145.10141	13.5
147.11688	12.2
149.13260	18.7
151.14729	2.1
153.12755	1.4
159.11690	13.2
161.13269	7.6
161.53822	1.1
163.14832	13.8
165.12703	1.5
173.13254	15.3
175.14789	3.3
177.16418	4.1
180.40535	1.3
187.14792	9.3
201.16426	3.0
233.22766	2.6
243.21065	19.1
261.22134	100.0
262.22504	4.1
279.23267	2.9
335.25763	6.1
353.26862	34.4
354.27225	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.77042	0.9
53.03939	2.8
55.05511	13.7
57.03434	5.7
57.07066	3.6
58.09599	1.0
60.60943	1.0
65.03949	3.1
67.05508	96.7
68.05843	1.3
69.06752	1.4
69.07069	12.8
69.21638	5.8
71.04992	2.7
71.08593	1.6
75.04484	1.5
77.03947	1.4
79.05043	2.3
79.05496	43.2
80.05832	1.5
81.07059	100.0
82.07375	2.2
83.04990	1.9
83.08624	9.7
85.06537	1.7
87.64170	1.0
91.05484	18.3
93.07048	54.0
95.04959	3.6
95.08609	74.7
96.08957	2.3
97.06509	2.8
97.10163	2.7
99.08104	2.1
100.81909	1.1
105.07030	17.1
107.08596	35.2
109.10161	38.7
111.08080	1.9
117.07036	7.9
118.03207	1.0
118.06450	1.0
119.08595	17.0
121.10149	30.9
123.08034	1.6
123.11711	21.5
129.12743	1.0
131.07651	1.8
131.08568	19.7
133.10132	11.8
135.11693	26.2
136.12071	1.5
137.09648	2.2
137.13237	9.6
139.11134	2.1
143.01494	1.2
145.10121	14.1
147.11691	10.8
149.13258	16.9
151.11200	1.8
151.14810	2.3
153.12805	1.8
159.11720	13.8
161.13254	10.0
163.11189	1.9
163.14818	14.4
165.12753	1.7
173.13258	15.4
175.14825	3.1
177.12785	1.6
177.16422	6.4
179.14297	1.5
187.14862	9.9
191.14322	1.4
201.16373	3.4
204.21109	1.0
205.15808	1.4
233.19032	1.1
233.22627	3.9
243.21088	27.1
261.22147	96.4
262.22525	8.8
263.23792	1.6
266.21396	1.2
279.23151	8.3
315.52396	1.1
335.25809	15.2
336.26059	1.7
353.26871	40.1
354.27286	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
52.99876	1.8
53.03942	2.7
53.56128	1.9
55.05513	13.6
57.03429	5.7
57.07071	6.2
58.06823	1.8
62.50469	1.7
67.05508	100.0
68.05803	3.0
69.07072	13.2
69.50607	4.0
69.50993	5.0
70.93900	1.9
79.05498	42.1
81.07061	99.2
83.08611	8.6
85.06540	4.0
91.05493	19.0
93.07045	64.9
95.04948	2.3
95.08611	79.5
97.06516	2.8
97.10165	3.0
99.08097	2.4
100.47308	1.9
105.07025	17.9
107.08601	45.0
109.10166	42.0
110.39863	1.9
111.82156	1.7
117.07034	9.6
119.08588	13.6
121.10156	33.3
123.08044	1.7
123.11720	20.6
125.09559	1.9
131.08604	18.1
133.10139	13.7
135.11694	29.5
137.09639	1.8
137.13237	9.1
141.03491	1.7
145.10107	13.5
147.11688	8.3
149.13269	19.8
151.14760	2.3
159.11717	18.1
161.13277	9.8
163.14871	11.1
165.12814	2.0
173.13292	15.7
175.14827	2.5
177.16367	3.8
177.22891	1.8
187.14828	7.9
201.16415	3.2
233.22556	2.2
243.21074	21.9
244.21266	2.4
261.22147	86.4
262.22452	7.5
263.46725	1.9
279.23135	6.4
335.25943	10.8
353.23013	3.1
353.26907	27.6
354.26825	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Grandilobatin A
Peak:m/z	Relative Intensity
53.03918	1.5
54.15343	1.4
55.01865	1.7
55.05513	11.9
57.07068	6.7
59.93045	1.5
67.05508	16.7
69.03427	4.8
69.07067	22.6
69.43138	3.5
69.43527	3.6
69.98789	1.6
71.04980	3.6
71.08624	22.7
79.05495	9.8
81.07056	29.9
83.05012	1.8
83.08619	7.6
85.06556	1.9
91.05513	7.9
93.07046	14.5
95.04972	9.1
95.08607	22.5
97.06519	4.8
99.08095	16.2
105.07038	13.6
107.08591	11.5
109.06513	25.6
109.10172	8.5
117.07030	2.8
119.08561	11.3
121.06493	5.7
121.10146	6.7
123.08057	2.2
123.11695	5.1
131.08592	5.5
133.10107	9.8
135.08031	3.8
135.11684	5.7
137.09593	2.7
139.11160	5.7
145.10159	4.3
147.11694	4.4
149.09679	2.5
149.13223	3.0
159.11673	3.6
161.13278	5.3
163.11185	4.6
165.11310	2.6
165.12738	48.2
166.13138	3.1
173.13284	2.3
175.14803	3.7
177.12781	3.8
189.16365	2.4
201.16331	2.8
209.19044	14.4
237.18388	4.0
271.24319	1.7
279.19571	3.4
279.26852	2.1
289.25250	20.4
290.03317	1.8
290.25525	2.7
299.23779	3.5
307.26324	3.6
317.24728	73.1
318.25021	7.8
335.25790	100.0
336.26187	7.6
341.96710	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03920	2.1
55.01874	8.8
55.05512	28.7
55.94107	1.9
57.03439	26.5
57.07077	100.0
67.05507	86.1
68.05831	1.9
68.18302	1.8
69.06709	2.4
69.07070	30.5
69.79208	7.4
71.01343	3.3
71.04981	4.2
71.08620	4.6
79.05494	29.2
79.21515	1.8
81.07058	96.4
82.07368	2.8
83.04968	6.5
83.08629	21.8
85.06544	2.7
85.10187	2.2
91.05478	10.6
93.07043	31.5
95.04956	3.2
95.08611	91.5
96.08971	3.2
97.06567	5.4
97.10168	9.7
98.23421	3.3
105.07030	6.6
107.08598	24.1
109.06520	2.4
109.09416	3.4
109.10156	54.4
110.10462	2.2
111.08089	1.8
111.11717	2.6
113.05982	2.6
117.07013	3.5
119.08588	7.1
121.10155	19.3
123.11706	22.0
125.09647	4.1
127.11202	30.1
131.08578	6.1
133.10112	4.2
135.11691	19.8
137.09604	4.6
137.13214	13.2
145.10135	3.6
147.11658	4.3
149.09622	2.2
149.13249	9.4
151.14798	6.1
153.12738	12.0
155.14322	15.3
159.11699	3.8
161.13268	3.2
163.14757	3.5
165.12772	2.3
167.14365	5.0
169.12245	75.2
170.12535	3.4
173.13300	4.5
178.73048	2.0
179.14320	2.5
187.14769	2.6
209.15268	4.0
223.16875	3.1
233.22737	11.4
243.21115	5.6
251.23653	6.2
261.22171	16.4
279.23267	32.4
280.23428	4.3
333.70230	1.9
353.17694	3.0
353.26816	91.2
354.18915	2.6
354.27246	6.1
354.33746	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	353.2689
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05515	16.3
57.03428	5.4
57.07066	6.6
57.17815	1.6
65.03934	2.2
65.22213	1.6
67.05507	100.0
68.05833	2.4
69.07076	17.9
69.39721	8.5
71.04993	3.1
71.08623	3.1
79.05495	53.8
81.07057	97.6
82.07377	1.9
83.08627	9.2
85.06511	3.6
85.10191	1.7
85.76185	1.5
91.05474	22.0
93.06445	2.6
93.07050	69.7
95.04964	5.6
95.08609	82.6
96.08913	3.4
97.06532	5.4
97.10175	2.0
99.08080	5.4
100.95591	1.7
105.04522	2.7
105.07025	20.5
107.08595	41.1
108.08960	2.1
109.06534	2.9
109.10153	29.2
111.08098	2.9
113.09637	2.2
117.07022	10.1
119.08591	16.6
121.10148	31.0
123.11702	17.3
125.09658	2.7
131.08565	25.0
133.10139	12.4
135.11696	29.2
137.09593	2.0
137.13240	8.9
139.11150	2.1
145.10129	17.6
147.11673	11.9
149.13245	24.6
151.14815	2.1
153.12788	1.8
159.11711	11.9
161.13286	9.9
163.11223	2.6
163.14851	17.5
173.13258	14.4
175.14810	5.1
177.12778	1.9
177.16418	7.6
183.10063	1.7
187.14859	10.7
191.14320	1.8
201.16438	3.1
205.15916	2.4
207.62357	1.8
233.22646	6.8
234.49377	1.8
243.21086	36.5
243.23491	2.9
245.22519	1.8
261.22150	91.8
262.22440	6.3
263.71393	1.6
279.23044	4.9
293.47119	1.8
312.60684	1.7
335.25766	13.9
353.17313	3.5
353.20917	2.6
353.26974	12.6
354.19162	6.7
354.33548	2.3
371.05728	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.4
53.03940	2.3
55.01866	1.2
55.05290	1.5
55.05515	16.4
57.03447	7.7
57.07074	6.6
65.03928	3.5
67.05508	95.2
68.05852	2.5
69.07071	14.7
69.27698	3.1
69.28085	2.6
71.04982	1.4
71.08650	6.4
75.04474	2.9
77.03951	1.6
79.05496	47.7
80.05824	2.1
81.07059	100.0
82.07386	2.4
83.04968	3.2
83.08624	10.6
85.06525	3.8
91.05482	25.7
91.06052	1.5
93.07047	64.3
94.07378	2.3
95.04976	5.2
95.08608	81.6
95.55994	1.2
96.08928	3.8
97.06525	5.8
97.10152	3.7
99.08093	6.8
105.07034	19.0
107.08599	38.8
108.08894	2.6
109.06503	3.7
109.10162	27.8
111.08059	2.3
111.11745	1.5
113.09648	2.3
115.05515	1.2
117.07005	9.8
119.08593	12.3
120.08920	1.4
121.09265	1.7
121.10149	33.7
122.10450	1.2
123.08062	1.7
123.11708	15.9
125.09643	3.4
131.08577	20.4
132.08926	1.4
133.10146	11.6
135.11696	26.4
136.12054	1.3
137.09612	1.5
137.13216	6.1
139.11188	1.4
139.42413	1.0
139.75661	1.1
143.04874	1.6
145.10114	14.1
146.10420	1.2
146.46950	1.2
147.11699	10.8
149.09604	1.7
149.13271	21.2
149.21858	1.2
150.13602	1.2
151.11127	1.4
151.14809	3.5
151.59418	1.1
153.12737	1.9
159.11705	13.3
161.13292	9.1
163.11095	1.0
163.14813	15.0
165.12746	4.8
173.13258	14.0
174.13551	2.0
175.14868	3.3
177.12752	2.2
177.16397	5.6
179.14235	1.4
187.14825	8.6
191.14291	1.6
201.16313	2.7
202.10167	1.2
205.15811	1.4
219.17577	1.5
233.22626	5.6
243.21088	28.7
244.21501	2.5
261.22144	83.2
262.22409	7.8
267.78705	1.3
274.40036	1.1
279.23178	5.6
307.98767	1.2
335.18997	1.5
335.25815	12.6
336.26404	1.2
352.15695	1.2
353.16968	33.8
353.21036	1.6
353.22885	1.6
353.26724	19.7
354.17413	4.5
354.27142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	11.7
57.03449	3.5
57.07066	7.5
63.98248	2.3
67.05504	65.8
69.07062	10.5
69.19994	14.9
71.04971	3.6
71.08631	4.0
79.05493	42.5
81.07062	76.6
83.08612	8.5
91.05478	19.2
93.07046	45.1
95.04982	4.9
95.08605	63.7
97.10177	4.5
99.08114	6.9
105.07012	13.4
106.58820	2.6
107.08601	33.6
109.06547	4.6
109.10160	24.5
116.99253	3.6
117.07039	6.6
119.08602	11.1
121.10125	28.2
122.66704	2.7
123.11690	10.2
130.49207	2.5
131.08536	17.0
133.10141	9.7
135.11696	20.4
137.13315	5.7
145.10130	16.6
147.11719	7.3
149.13232	19.7
159.11668	11.4
161.13263	7.6
163.14865	13.6
173.13264	14.5
175.14775	3.3
177.16399	5.7
187.14783	7.0
191.14212	2.7
201.16423	3.5
217.08078	9.8
233.22655	6.9
243.21106	26.6
261.22134	66.7
262.22516	3.1
279.23212	3.1
283.12848	5.8
335.16223	5.2
335.25488	10.5
353.17026	100.0
353.26465	11.4
354.17453	11.1
354.33719	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	353.2687
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03942	4.2
55.05507	19.3
57.07067	9.3
62.84101	4.1
67.05505	100.0
67.05859	5.1
69.07060	17.2
69.67637	6.1
69.67965	8.9
70.06596	8.7
71.04990	5.1
72.04563	5.0
79.05486	50.0
81.07057	95.4
83.08618	12.9
88.07621	10.9
91.05476	30.0
91.56981	4.2
91.69704	4.0
92.78832	4.3
93.07037	76.6
95.08614	78.6
98.22682	4.1
98.97591	4.7
99.04462	11.8
99.08047	6.3
105.07034	20.1
106.08664	6.0
107.08580	37.3
109.10141	29.8
115.10005	4.2
117.07033	13.0
119.08588	16.8
121.10146	38.7
123.07999	4.9
123.11705	14.0
129.02304	4.0
131.08571	26.3
133.10139	15.7
135.11716	22.4
137.13292	8.2
145.10143	15.0
147.11626	7.6
149.13274	19.2
159.11707	12.8
159.37965	4.3
161.13257	9.3
163.14877	18.4
173.13268	18.3
175.14890	5.0
187.14845	13.8
196.00449	4.2
233.22678	9.7
239.09100	9.3
243.21179	29.3
254.56306	4.4
261.22119	90.0
262.22476	6.5
335.25723	6.7
353.17639	6.5
353.26859	11.6
354.33649	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03941	2.7
55.01875	38.2
55.05514	47.1
57.03437	18.5
57.07073	11.4
58.70768	1.3
59.04988	3.2
65.03938	2.5
67.05506	71.8
69.03426	2.0
69.07070	77.6
69.43461	2.4
69.43851	3.7
70.07410	1.5
71.04997	6.5
71.08636	13.6
77.03936	1.3
78.95574	1.2
79.05494	41.3
80.05840	1.7
81.07058	80.9
82.07394	2.7
83.04986	14.7
83.08624	41.6
85.06537	5.0
85.10190	1.7
91.05471	12.4
93.07047	52.0
95.04952	3.1
95.08607	59.1
96.08961	2.0
97.06546	13.4
97.10180	17.4
98.23412	2.8
99.08104	12.4
105.04462	1.7
105.07021	8.6
107.08602	37.9
109.06537	2.3
109.10153	37.5
111.08111	6.9
111.11727	3.9
113.09645	3.4
117.07019	3.8
119.08585	6.4
121.10152	21.1
123.11710	14.3
125.09628	9.5
125.13341	1.4
131.08597	9.5
133.10150	5.0
135.08064	5.6
135.11688	31.8
137.09621	3.4
137.13232	9.2
139.07561	1.7
139.11197	2.5
145.10080	7.2
147.11705	8.3
149.09625	4.9
149.13263	12.8
151.14824	4.2
153.09094	3.6
153.12752	44.4
154.13072	2.6
155.10594	1.8
159.11729	4.4
161.13237	3.9
163.11169	3.3
163.14798	8.7
165.12724	1.9
167.10611	1.6
167.14319	1.7
173.11865	2.5
173.13289	6.2
175.14926	1.6
177.16396	4.9
179.14313	1.8
181.12196	1.8
181.15871	3.2
187.14818	3.6
189.11269	9.7
191.14403	1.7
195.13873	1.4
209.15266	1.3
217.19531	1.5
219.20985	2.0
233.22615	12.9
243.21121	12.7
251.23557	7.1
261.19531	2.4
261.22147	31.2
262.22583	3.2
279.23203	47.3
280.23480	3.4
335.25668	3.6
345.75323	1.2
353.26859	100.0
354.27319	10.0
354.33740	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.3
55.05511	12.3
55.47195	1.4
57.07083	4.2
61.06234	1.5
65.03951	2.3
67.05505	56.7
69.07074	13.1
69.61414	3.8
69.61793	3.4
70.06598	11.6
71.04983	2.1
71.08634	2.7
74.06061	1.4
79.05494	28.8
80.26209	1.7
81.07059	53.4
83.08605	5.9
84.08148	1.6
85.06567	2.3
88.07642	17.5
91.05479	16.9
93.07048	41.9
95.04980	3.4
95.08611	37.0
97.06516	1.8
99.08086	4.3
102.09189	1.9
105.07029	16.4
106.08668	8.0
107.08593	23.6
107.09260	2.4
109.06503	3.2
109.10155	16.3
111.08029	2.1
113.09686	3.1
117.07028	6.7
119.08582	10.8
121.10150	17.5
123.11716	7.5
131.08557	16.5
133.10132	7.9
135.08080	1.7
135.11713	13.3
137.13261	4.3
145.10121	9.1
147.11697	7.4
149.09717	1.6
149.13261	12.4
151.14830	2.7
157.10132	2.2
159.11688	7.4
161.13280	6.6
163.11198	1.8
163.14810	9.8
165.58574	1.7
173.13298	9.6
175.14903	2.0
177.16393	4.6
179.14301	2.0
180.14676	1.8
187.14859	5.4
233.22694	3.0
240.49669	1.5
243.21086	21.6
261.22168	44.3
262.22476	2.3
279.22690	1.4
335.25793	4.0
336.32556	5.0
353.17886	2.4
353.26611	5.1
354.19092	3.5
354.33670	100.0
361.85843	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.7
55.05516	2.6
58.06625	1.0
67.05489	2.4
69.03419	8.4
69.07073	1.7
69.26251	5.6
70.06623	1.1
71.04981	14.6
71.73500	1.1
73.33117	1.1
74.73099	0.9
79.05491	5.3
81.07053	3.5
84.04502	22.3
85.02895	3.5
91.05480	13.4
93.07039	7.8
95.04973	3.6
95.08596	4.9
98.06052	5.2
98.23523	2.5
99.04455	41.2
100.07619	1.9
102.05531	12.3
103.05439	1.6
105.07025	72.6
106.07372	2.2
107.04957	4.4
107.08588	8.1
109.02867	2.6
109.06510	3.5
109.10172	1.8
117.07014	5.1
119.04919	1.4
119.08556	6.7
121.06487	8.9
123.08082	4.6
123.11710	1.7
125.09548	1.3
128.06223	3.9
130.05013	10.5
130.07716	1.8
131.08559	2.4
133.06476	9.1
133.10121	42.7
134.10449	1.6
135.08102	1.6
135.11688	2.3
136.07556	3.1
137.05995	2.8
143.08572	8.5
145.06494	1.6
145.10118	13.8
146.07297	4.8
148.06041	11.4
149.05946	3.3
149.09641	1.8
151.07555	3.4
161.09613	100.0
162.09940	3.5
163.07535	1.1
163.11182	19.4
164.07069	1.7
173.09637	2.1
174.06816	1.1
179.10655	29.0
182.08159	11.3
189.09096	13.7
191.10664	29.7
191.12358	1.7
200.09177	2.2
207.10120	5.0
209.11729	13.4
225.11079	1.2
239.07005	2.6
262.14444	3.0
272.12842	1.8
290.13824	6.4
308.14957	4.6
323.06723	1.8
336.14218	6.1
354.10669	2.3
354.15793	15.4
354.19461	1.7
355.07935	1.4
355.17227	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	354.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70862	0.4
51.13527	0.4
53.03924	0.7
55.01853	0.6
55.05502	1.6
67.05499	1.3
67.43686	0.4
69.03422	1.5
69.41792	0.9
69.42186	1.5
71.04991	6.5
79.05485	2.4
81.07050	1.6
84.04505	3.9
91.05474	6.0
93.07046	3.6
95.04979	1.4
95.08610	5.5
97.23278	0.4
98.22689	1.0
98.97590	0.6
99.04448	12.1
102.05541	2.3
103.05476	1.0
105.07027	100.0
106.07349	3.1
107.08595	3.9
109.06544	1.3
109.10127	1.0
112.01808	0.4
115.05450	0.9
117.07011	1.5
119.08582	4.9
121.06510	3.5
123.08058	11.7
123.11717	2.7
128.06174	0.8
130.04993	3.6
131.08583	2.5
133.06543	3.4
133.10124	69.0
134.10455	2.4
135.11717	1.4
137.05975	1.0
143.08513	1.3
143.26385	0.5
145.10104	6.1
146.07257	1.9
148.06035	5.1
151.07571	3.9
151.11162	4.2
161.09610	36.0
162.09964	1.5
163.11179	39.3
164.11526	1.8
179.10664	75.3
180.11031	3.1
189.09064	3.8
207.10162	2.7
354.15564	0.6
355.17191	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	354.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
54.60739	0.3
55.01895	0.7
55.05505	0.6
67.05511	0.8
69.03418	2.0
69.40882	1.7
71.04992	19.6
77.03951	0.5
79.05508	1.9
81.07061	0.9
84.04500	2.5
91.05482	6.8
93.07061	2.9
95.04977	0.7
95.08609	3.4
98.23442	0.8
99.04457	52.1
100.04781	0.7
102.05556	0.6
105.07030	77.5
106.07364	3.1
107.04969	0.7
107.08590	2.0
109.06517	1.7
109.10131	0.6
115.05459	0.6
117.07028	1.2
118.07771	0.3
119.04972	1.1
119.08597	3.4
121.06504	7.0
123.08070	7.1
123.11708	1.6
124.08408	0.5
128.06226	2.1
130.04987	2.5
130.07764	0.4
131.04976	0.5
131.08583	1.8
132.05725	0.6
133.06502	10.9
133.10130	44.7
134.10472	1.6
135.11708	1.2
143.08572	3.8
145.06496	0.6
145.10091	2.8
146.07266	4.4
147.07803	0.4
148.06039	4.1
151.07555	3.2
151.11195	2.6
159.08034	0.9
161.09616	100.0
162.09952	4.4
163.11179	15.8
164.11568	0.7
171.08075	0.5
174.06802	0.6
179.10672	42.6
180.11031	1.4
189.09103	9.4
189.10835	0.5
207.10150	6.8
256.29654	0.4
314.96085	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66201	5.3
54.97315	4.4
57.76181	5.0
68.95885	5.0
68.99825	5.5
69.03426	41.0
73.02921	7.6
74.85731	5.3
79.05476	6.1
81.03414	22.2
84.08123	6.7
85.02901	100.0
86.05763	5.4
87.00833	50.4
97.02895	36.2
99.04463	11.8
105.01860	72.6
109.02879	29.5
122.03644	5.4
127.03913	70.0
137.05965	34.1
139.11200	5.3
143.91435	5.3
145.04942	27.2
159.02885	5.7
201.05457	30.4
205.06419	5.7
210.14876	6.6
214.55508	5.3
231.04958	24.7
249.06094	9.3
260.97849	5.0
262.06189	11.1
277.08499	13.7
290.05701	17.5
291.05719	5.1
305.08124	25.2
319.09509	5.0
337.10654	25.6
346.14557	6.2
354.19162	24.0
354.22922	7.8
355.17188	19.5
378.03940	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05508	7.1
55.16346	0.6
57.64388	0.5
61.02911	2.0
66.33449	0.6
67.05466	0.7
69.03419	2.4
69.07069	6.1
69.70284	1.4
71.04977	0.8
75.80142	0.6
79.05479	0.8
81.03393	1.4
82.76250	0.6
82.76723	0.6
83.03021	0.5
83.08619	32.1
84.08960	0.6
85.02902	9.6
85.18170	0.6
87.08102	0.7
90.13744	0.6
95.08600	0.9
97.02877	2.4
97.06545	0.8
99.04457	0.6
100.51575	0.5
109.02867	1.3
111.08082	14.2
121.04189	0.5
127.03925	2.2
128.28940	0.7
129.09100	4.0
130.06493	0.7
136.06181	1.2
139.07498	1.7
145.02802	1.0
145.04967	1.6
150.05536	1.1
150.07753	1.6
152.32639	0.5
156.92398	0.6
157.08591	17.5
163.08669	0.8
175.09654	100.0
176.10031	2.5
177.05418	1.5
177.10037	0.7
178.05832	1.1
180.08656	3.7
192.12291	2.5
218.23920	0.6
219.02943	0.8
220.11879	0.9
225.08754	0.5
252.09677	0.6
281.12735	0.8
326.07239	0.9
354.14368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.05507	5.0
56.05019	1.0
57.08850	0.4
61.02921	0.6
69.03415	0.7
69.07061	8.3
70.70929	0.5
71.04980	0.7
79.05490	1.1
81.03411	0.6
83.08617	26.5
84.08923	0.5
85.02902	3.5
86.09694	0.5
87.08110	3.7
91.05472	1.4
93.07032	3.6
95.04985	0.7
97.02892	1.3
97.06515	3.2
97.44052	0.4
98.06043	0.8
98.97618	0.5
104.05322	0.5
105.07013	1.1
107.04990	0.6
109.02882	0.6
111.08079	13.1
117.06998	1.0
119.08569	0.6
121.06504	1.0
123.04383	0.4
123.89207	0.4
127.03876	0.7
129.09113	20.4
130.06560	0.6
130.09386	0.6
131.08531	0.5
133.10155	0.9
135.04498	0.6
139.07509	4.8
145.02859	0.7
145.04904	0.7
145.06476	1.2
145.10127	2.0
146.08139	0.8
157.08597	100.0
158.08934	2.7
161.09660	0.6
163.03905	1.0
173.09599	4.1
175.09654	27.3
176.10011	0.9
177.05440	0.5
180.08678	1.5
190.05205	0.6
191.03415	0.6
191.10698	1.4
192.12389	0.7
193.05006	1.2
219.02954	2.2
221.39374	0.5
354.06415	0.6
355.08185	0.7
355.17188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30347	1.1
53.03942	3.9
55.01870	4.0
57.03438	5.1
59.05016	1.6
61.02933	5.4
69.03433	32.3
69.07068	2.1
69.62164	4.2
71.05000	2.1
71.08639	6.4
73.02921	3.8
81.03419	15.7
81.07079	1.1
84.08160	1.3
84.44105	1.1
85.02911	82.5
86.03247	1.4
87.00835	44.8
91.05466	1.6
97.02898	35.2
99.04446	9.4
100.04451	1.0
103.03965	1.2
105.01872	100.0
105.07048	2.2
106.02242	1.6
108.04499	1.1
109.02888	16.2
111.04461	1.6
115.03943	1.9
117.01805	1.3
121.06482	1.2
124.12791	1.1
127.03918	59.3
129.01826	3.2
129.09129	1.7
130.41504	1.2
133.10141	2.6
137.05994	2.2
145.04964	37.2
157.12276	1.4
159.02921	8.9
161.05907	1.3
161.09660	1.5
163.03914	1.8
164.92175	1.2
169.04968	1.8
183.06567	2.7
189.04016	2.6
201.05444	1.7
210.14917	1.6
213.03932	2.5
231.05006	24.5
231.07304	1.4
249.06067	25.9
250.06502	1.5
284.09583	2.0
298.07809	2.3
303.64786	1.2
326.07535	6.2
328.57498	1.3
337.12695	3.4
354.06873	8.2
354.15341	2.5
354.19373	2.2
355.07388	1.2
355.13324	2.7
355.17285	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	354.191
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
55.05506	2.1
55.96702	1.7
56.96516	2.0
57.90643	2.3
62.14115	1.7
62.21416	1.7
67.05487	3.5
67.94361	2.3
69.07057	10.7
71.04977	6.2
74.60671	1.9
79.05482	4.1
81.03401	3.1
83.04962	4.5
83.96564	1.7
84.08102	1.8
84.89100	2.0
86.09705	100.0
87.10025	2.0
91.05463	10.9
93.07026	7.5
95.04974	5.1
95.08611	2.2
98.97571	4.6
99.04471	16.3
100.11229	3.9
105.07018	31.0
107.04941	5.0
107.08605	7.4
109.02879	3.2
116.98624	3.5
117.07011	26.3
119.08562	8.6
121.06499	5.4
123.04408	6.1
128.10724	7.6
129.06993	3.7
130.05080	2.4
131.08568	14.4
132.07532	1.9
132.10222	9.0
133.06516	4.8
133.10127	22.6
135.08037	29.6
143.08562	2.4
145.06418	5.8
149.09595	2.8
156.10185	5.1
159.08029	14.9
161.09621	38.4
163.07547	16.9
163.11197	5.5
177.09079	11.7
179.10674	17.5
181.08578	12.1
187.07565	11.5
189.09114	3.3
205.08603	53.3
206.08957	2.8
212.73648	2.4
244.16843	4.7
262.17984	4.8
272.16412	2.5
290.17523	56.9
291.17886	4.8
308.18585	40.4
309.18802	2.3
336.18054	10.9
336.22064	2.3
341.68863	2.3
354.18817	3.4
355.12021	1.8
355.17166	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	354.1913
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
51.75851	0.6
53.03940	0.7
55.01866	2.3
55.05505	3.3
57.03434	1.0
58.06596	2.1
67.05499	4.1
69.03429	15.1
69.07060	3.3
69.21170	3.5
71.04987	1.6
74.02430	2.4
79.05492	8.7
81.03417	1.4
81.07062	3.2
83.04976	1.8
91.05476	9.2
93.07043	13.0
93.47417	0.6
95.04973	6.3
95.08614	3.8
97.02862	1.9
97.06522	1.0
98.23437	1.4
100.07622	4.9
103.05462	4.0
105.07024	12.6
107.04962	5.5
107.08592	7.9
109.06515	2.7
109.10124	1.2
111.04457	1.3
115.05470	1.9
116.06182	0.9
117.06184	0.8
117.07010	13.1
119.08584	4.8
121.06508	17.0
121.10125	3.4
123.08041	0.9
128.07069	2.5
129.06992	1.7
130.07794	3.8
131.04956	1.4
131.08589	4.6
132.05623	0.7
133.06512	3.6
133.10138	1.6
134.07243	0.8
135.04420	0.9
135.08028	1.8
135.11691	4.4
138.09953	0.7
143.08575	2.4
145.06442	3.3
145.10126	29.3
146.08150	4.3
146.10492	1.3
147.08057	1.6
148.05171	1.6
149.05984	11.5
149.09619	8.4
155.08556	1.2
161.09624	2.5
163.07561	0.7
163.11176	23.0
164.11555	0.7
173.09598	9.5
191.00243	0.6
191.10664	100.0
192.11024	4.9
200.64449	0.6
209.11719	41.4
210.12010	2.8
266.17505	1.3
308.18243	0.7
316.65384	0.6
336.18091	2.1
354.18866	1.6
355.17349	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	354.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03942	1.7
55.01889	2.6
55.05294	1.6
55.05514	17.8
56.05832	2.6
57.03444	7.4
57.03693	1.7
57.07067	5.9
58.07402	2.4
59.97165	1.5
65.03931	5.7
67.05508	100.0
68.05508	2.2
68.05844	29.4
69.07071	14.7
69.72244	3.3
70.06596	8.5
70.07394	4.8
71.08614	5.3
72.98923	1.2
75.04471	2.5
79.05047	3.0
79.05499	59.2
80.05828	22.9
81.07061	98.0
82.07397	35.9
83.04965	1.8
83.08620	9.3
84.08957	4.4
85.06537	3.6
85.10176	3.3
86.06874	2.1
88.07634	14.3
91.05488	26.1
92.05814	12.2
93.07047	65.4
94.07378	30.9
95.04964	4.7
95.08610	73.2
96.08942	33.1
97.06538	4.4
97.10162	4.3
98.23358	1.9
99.08099	5.7
102.09171	2.8
105.07031	17.6
106.07391	8.4
106.08663	4.7
107.08596	38.4
108.08921	23.5
109.06502	1.8
109.10159	25.3
110.10495	13.7
113.09650	4.2
117.07000	9.4
118.07340	5.4
119.08587	12.7
120.08925	10.9
121.10151	28.3
122.10488	21.2
123.11691	10.5
124.12023	6.7
131.08574	17.0
132.08881	14.8
133.10164	7.4
134.10458	7.9
135.11716	21.0
136.12053	16.9
137.13280	5.2
138.13570	5.7
139.11244	2.0
145.10155	10.4
146.10428	12.3
147.11714	8.8
148.12018	8.6
149.09633	1.8
149.13284	15.5
150.13583	18.1
152.15088	2.0
153.12756	1.7
159.11659	6.9
160.12067	11.9
161.13283	9.7
162.13643	8.8
163.14857	11.6
164.15173	12.2
165.12801	1.7
173.13287	8.6
174.13628	15.2
175.14841	3.6
176.15207	3.1
177.16371	4.4
178.16734	6.5
187.14842	5.2
188.15121	7.4
192.14677	1.9
197.08276	1.8
202.16695	1.8
203.46080	1.5
206.97298	1.6
210.98203	1.6
233.22612	2.4
234.22974	7.2
243.21085	6.6
244.21446	43.1
261.22107	16.4
262.22501	96.3
263.22803	4.9
275.16833	1.8
280.23392	3.1
320.78320	1.5
336.26303	15.5
336.32587	4.0
354.19247	3.6
354.27231	16.4
354.33646	76.6
355.18506	6.8
355.34009	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.3368
Annotation	Anandamide (20:l, n-9)
Peak:m/z	Relative Intensity
55.05499	6.7
57.07067	6.2
58.06596	7.5
60.09050	2.5
67.05481	4.0
69.07063	7.1
69.21639	2.5
70.06581	2.7
70.30363	4.8
71.08605	2.5
81.07072	6.1
83.08621	5.6
84.08126	3.5
95.08600	6.7
97.10164	3.6
103.38769	2.5
109.10140	2.3
122.80714	2.3
126.54097	2.4
138.98177	2.5
174.32939	2.5
176.33708	2.5
215.17654	2.5
230.10815	2.3
336.32654	8.3
336.36588	2.6
354.29184	4.9
354.33643	100.0
355.33951	7.8
363.42508	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	355.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
70.48275	14.3
81.67413	8.0
83.03104	6.9
88.69737	6.7
91.05789	11.1
97.02905	12.2
98.97578	22.0
100.22668	7.1
110.97588	10.7
136.06165	8.3
145.02849	9.4
177.05424	16.7
185.70418	8.4
192.97978	7.5
193.04817	8.4
198.98801	12.3
219.01758	18.4
229.01405	7.7
237.02881	28.5
323.29843	8.2
328.07477	7.6
342.04068	7.7
355.07678	100.0
355.13141	12.9
355.18869	9.6
356.08609	10.3
373.07104	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	355.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45592	2.5
74.79240	1.8
76.39761	1.8
78.98520	2.5
85.02932	2.3
94.93021	7.9
112.89618	100.0
114.89355	73.7
116.89156	6.4
121.06482	2.2
174.90491	10.5
192.91650	9.2
204.87064	3.3
204.91537	9.8
212.85233	3.1
219.02692	2.6
222.92706	2.6
234.92712	9.0
246.92685	5.1
248.07610	2.1
278.95236	3.0
312.85382	8.0
355.08136	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36543	5.9
70.19199	1.2
85.02895	1.4
98.23531	2.2
101.79220	1.2
109.11117	1.1
110.46939	1.1
136.06175	6.3
163.28630	1.2
177.01540	1.8
185.04280	2.3
192.03905	14.5
193.04721	5.6
198.98944	1.9
236.58652	1.2
276.07501	2.5
306.01361	1.2
324.08252	2.6
355.09985	100.0
355.76099	1.3
356.10367	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	355.1029
Annotation	Scopolin
Peak:m/z	Relative Intensity
56.64373	0.3
59.05000	1.0
59.55212	0.4
65.37530	0.3
69.03433	0.4
70.13468	0.7
85.02895	0.7
87.04465	1.1
89.03931	0.5
91.05517	0.3
95.08621	1.0
97.02864	0.4
98.23390	0.5
103.03962	0.8
113.09647	0.6
117.03298	0.3
122.03669	1.3
131.10689	2.5
133.02863	17.6
134.03214	0.6
136.06210	0.4
137.05986	4.3
149.05969	1.3
150.03143	0.7
150.69734	0.3
161.02342	0.3
165.05495	2.6
177.05470	0.4
177.11143	0.4
178.02632	9.5
181.04965	0.8
193.04976	100.0
194.05312	4.0
199.34694	0.3
355.13629	8.8
356.13834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.6
69.07084	0.9
69.89178	0.7
79.05473	0.9
79.24110	0.8
79.63888	0.7
80.40509	0.7
81.07065	3.4
93.07040	1.5
95.08629	1.0
97.10198	0.9
98.97586	0.8
99.04479	1.1
105.07025	1.4
107.08559	1.7
109.10145	1.8
121.06498	0.9
121.10128	1.1
123.11691	0.9
179.48523	0.7
210.14905	1.1
259.68350	0.8
279.11044	26.7
280.11334	2.0
297.12106	1.9
313.09415	0.9
323.10028	100.0
324.10318	7.7
355.12631	61.7
355.16898	2.2
355.24258	1.6
356.13065	4.2
356.17328	0.8
364.12708	1.2
367.47141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1543
Annotation	(-)-Aristotetralone
Peak:m/z	Relative Intensity
55.16548	0.9
67.75941	0.8
69.57307	1.8
69.57687	2.2
79.05482	2.7
80.67506	1.0
81.07058	2.3
81.48367	0.8
91.05470	5.2
94.04151	3.1
95.04981	2.2
98.23351	1.8
98.97575	1.4
99.04511	0.9
103.05464	2.7
105.07039	2.2
107.04956	5.6
109.06482	2.2
115.05418	1.1
119.04946	2.4
121.06507	2.9
122.03654	9.5
123.00777	1.0
124.05202	1.0
128.06172	1.3
131.04959	4.2
133.06482	1.7
137.05978	100.0
138.06342	4.0
141.07043	1.1
149.05972	7.2
150.06702	1.1
151.07553	15.1
156.05637	1.2
159.08011	1.1
161.05943	1.8
163.07521	5.5
167.07045	13.6
169.06458	1.7
170.07220	1.3
171.08028	1.8
173.05978	1.9
175.07536	2.1
181.08617	5.9
187.07574	8.4
187.52292	1.0
193.08530	5.9
198.98825	1.0
199.07492	2.4
201.05449	0.9
201.09070	2.7
202.07698	1.1
203.08540	1.4
205.06841	1.0
205.08447	4.3
216.07753	1.6
217.08502	1.6
219.08176	0.9
219.10187	1.9
220.08838	2.3
226.99673	1.1
231.08066	1.6
231.10109	8.2
248.08344	1.7
263.10611	3.5
276.07770	0.9
280.10947	1.8
291.10016	4.5
295.13229	2.9
314.32697	0.9
323.12759	7.2
340.12909	1.0
355.15353	26.0
356.15842	1.6
356.20505	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47846	0.9
66.32543	0.8
67.05498	1.2
69.07063	1.1
69.94520	1.0
70.27989	2.3
78.04711	1.7
79.05494	2.4
91.05467	7.5
98.97585	1.5
100.11286	1.4
103.05459	3.0
104.06230	1.8
105.07040	11.9
107.04970	3.2
111.04460	2.0
114.09186	2.4
115.05456	8.3
116.98575	1.1
117.07002	6.3
118.04215	1.2
119.08595	6.3
121.06543	1.5
123.04430	3.9
128.06242	3.8
129.06996	5.1
131.04939	2.7
132.05716	6.8
133.06509	9.9
137.06036	1.8
141.06993	10.8
145.06490	3.4
147.08043	15.2
151.03976	1.1
158.07338	1.4
160.05191	5.3
161.05974	12.4
167.07037	45.2
168.07422	2.8
169.06517	12.7
170.06993	0.9
175.07542	100.0
176.04749	1.0
176.07930	4.0
180.97871	1.6
186.06725	1.3
187.07526	2.1
189.09117	2.8
191.07057	1.3
193.08601	31.7
194.08954	1.6
195.20575	0.9
196.91774	1.4
201.05519	1.4
201.09138	6.7
207.07956	1.1
210.14914	1.5
219.58891	1.0
235.07489	1.2
249.69533	1.0
250.09422	1.1
251.06990	1.8
263.10718	1.0
291.10300	1.4
295.09769	2.6
323.09241	10.0
323.12628	1.9
331.36096	1.0
355.11563	2.8
355.15906	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	355.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69207	0.7
55.05514	7.5
56.96568	3.2
62.06083	0.6
65.03941	0.7
67.05510	13.4
68.05837	0.9
69.07077	8.5
70.06596	16.5
70.61359	1.0
71.06927	0.7
74.06083	1.5
76.44016	0.6
79.05487	2.2
81.07063	9.3
82.07399	1.3
83.08634	1.8
88.07633	21.0
89.07957	1.4
91.05474	0.8
93.07044	0.9
95.08611	6.8
97.10181	0.8
97.96843	0.9
101.09660	1.5
102.09179	4.9
105.07034	0.7
106.08656	8.6
107.09066	0.9
109.10176	1.3
110.97578	1.1
124.86672	0.6
128.98639	1.4
146.99661	1.2
148.26434	0.6
151.07619	1.5
165.09218	0.7
228.91463	0.7
310.30933	0.8
315.16263	8.6
333.17355	11.6
336.32635	4.7
337.32999	2.2
351.18506	2.8
354.33676	100.0
355.15714	11.4
355.33984	47.4
356.19080	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59100	0.3
52.29433	0.4
67.05512	0.7
67.51250	0.4
70.33148	0.6
70.33479	0.4
70.87456	0.3
81.07059	0.7
91.05481	1.0
93.07044	1.2
93.39221	0.4
95.05013	0.4
95.08607	0.5
98.97562	0.8
103.05460	3.1
107.04962	0.7
107.72799	0.4
109.10140	0.5
113.39675	0.3
116.98697	0.4
119.08582	0.4
120.08109	100.0
121.08443	2.9
131.04948	1.4
149.05991	0.8
162.09149	16.5
166.08644	28.4
167.08932	0.6
182.70436	0.4
190.08615	3.5
198.98872	0.4
262.71320	0.4
355.16962	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55569	0.4
70.58421	0.7
78.58649	0.4
79.05483	0.4
86.09724	0.4
116.42381	0.4
137.05978	2.4
143.60980	0.4
147.04350	0.4
158.59229	0.4
173.05913	0.4
201.03807	0.6
201.05492	2.2
203.05322	0.7
206.07162	0.5
229.18774	0.4
234.06781	0.5
235.07431	0.5
240.51755	0.4
243.72794	0.4
262.06226	0.9
271.11548	1.0
277.08533	0.7
290.05682	1.1
295.09552	0.6
305.08252	1.9
307.09665	0.5
312.06042	0.7
315.30099	0.4
325.10712	0.4
327.08530	1.0
337.10666	1.8
355.08105	3.6
355.17270	100.0
356.17593	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.173
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.92116	0.6
52.32087	0.4
52.54515	0.5
55.05523	0.6
67.05492	0.9
69.03416	0.6
69.13046	3.4
76.34286	0.5
79.05519	1.2
81.07056	1.2
84.04514	2.0
91.05472	1.9
91.46172	0.6
93.07044	0.8
95.04972	0.8
95.08630	0.5
97.02867	0.5
102.05558	1.1
105.07026	4.0
106.07371	1.7
107.04935	0.7
107.08665	0.7
109.10188	0.6
115.05491	1.2
117.07006	1.1
119.08598	2.0
123.04479	0.6
129.07001	0.9
130.05029	0.9
132.01181	0.8
132.05748	1.1
133.06517	1.3
133.10147	1.9
134.10466	2.1
135.08083	0.5
137.06010	0.7
141.06990	1.0
147.08055	1.8
147.11757	0.6
148.06073	0.9
160.05219	0.7
161.05992	1.7
161.09668	1.7
162.10039	1.9
167.07047	5.9
169.06543	1.3
175.07556	13.0
176.07910	0.8
189.09090	0.6
190.09462	1.5
191.07063	0.8
193.08617	4.6
201.05450	0.6
201.09126	1.2
258.19427	0.5
291.14316	0.9
296.06036	1.2
309.15161	1.0
323.09302	1.2
324.95142	0.5
337.14767	1.1
355.17313	100.0
356.17648	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	355.1725
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
56.50452	0.4
69.33316	2.3
81.03357	0.4
105.01831	0.5
122.41479	0.4
126.39791	0.4
137.05960	2.0
182.15456	1.1
191.10674	0.5
201.03676	1.1
201.05484	2.1
210.14905	1.3
234.06874	0.5
249.75591	0.5
262.06238	1.0
290.05869	0.9
295.05814	0.5
305.08060	1.9
337.10648	2.5
337.21194	0.8
355.17252	100.0
355.45276	0.5
356.17603	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
50.83009	0.3
51.20629	0.4
67.05504	0.6
69.03427	0.8
69.07039	0.4
69.86401	0.4
69.86755	1.2
79.05481	1.0
81.07062	1.3
81.49712	0.3
84.04502	1.0
86.00665	0.5
91.05485	1.0
93.07037	0.6
95.08600	0.5
97.02847	0.4
97.06556	0.4
98.97585	0.6
100.11293	0.4
102.05541	0.4
105.07012	1.8
106.07346	1.3
107.08581	1.0
109.10152	1.0
117.06963	0.4
119.04898	0.4
119.08602	0.6
121.06551	0.5
121.10153	0.4
125.09660	0.8
130.05080	0.4
132.01096	0.8
133.10138	1.1
134.10449	1.2
135.08083	0.5
135.11668	0.5
137.09599	0.4
145.10126	0.4
148.06064	0.8
159.11833	0.4
161.09601	0.9
162.09978	1.2
163.11197	0.5
167.07074	1.4
175.07527	2.8
177.05518	0.5
190.09428	0.7
193.08667	0.4
198.98967	0.5
201.05489	0.5
296.05911	1.2
309.15186	0.6
323.09180	0.5
337.15018	1.2
355.17267	100.0
356.17590	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	355.173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91881	0.9
67.05480	1.3
68.02727	0.9
69.83162	1.3
69.83491	2.1
71.04985	1.7
72.53623	1.0
77.45200	0.9
79.05466	1.1
81.07042	1.6
84.04491	1.1
86.09698	0.9
91.05506	1.2
93.07045	1.7
95.08624	2.2
98.97588	1.4
99.04449	2.7
105.07042	20.0
106.07361	15.3
107.08604	1.8
119.08612	1.4
121.10157	1.0
123.08064	2.3
124.08406	1.8
127.78427	0.9
131.08467	1.0
133.10127	11.2
134.10478	11.5
137.06006	3.8
148.06084	1.2
151.11096	1.4
161.09624	3.9
161.35841	1.1
162.09970	7.6
163.11142	5.6
164.11523	8.4
179.10675	9.2
180.11018	15.4
180.97958	1.2
190.09508	1.0
198.98930	1.6
217.07491	1.1
233.57356	0.9
290.94702	1.3
355.17276	100.0
356.13904	1.1
356.17645	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	355.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09063	0.5
69.07034	0.7
70.37322	1.2
81.07092	0.6
86.09699	1.5
91.05494	0.8
93.07047	0.6
95.08591	0.9
98.97530	0.6
105.07029	3.3
106.07344	1.8
133.10127	1.0
134.10506	1.0
142.12241	0.6
161.09627	1.1
162.09941	1.1
168.13922	0.9
201.03726	4.2
201.05356	0.8
203.05263	5.7
290.05832	0.7
355.17282	100.0
356.17538	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	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
57.70540	0.5
69.07054	0.7
107.77695	0.6
118.03414	0.6
141.04144	0.5
151.03873	0.6
190.36708	0.6
253.80124	0.6
355.17249	100.0
356.17599	5.5
373.08731	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48274	0.4
55.01866	0.6
55.05513	0.8
59.67617	0.4
61.04042	0.5
67.05502	0.9
69.07059	0.8
69.89378	1.6
77.96968	0.9
79.05494	1.2
81.07050	0.7
83.08624	0.6
86.09692	0.6
93.07059	0.8
93.79102	0.5
95.08600	0.9
97.10131	0.5
98.23435	0.6
98.97569	1.4
103.16150	0.5
105.03360	1.2
105.07032	0.7
109.06605	0.5
116.99253	3.5
121.10177	0.7
139.96869	0.5
193.08975	0.5
212.19315	0.5
215.10237	1.7
225.20955	0.5
355.18555	100.0
356.18903	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	355.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59398	0.3
69.70686	0.5
69.71029	1.4
70.07162	0.3
77.87194	0.3
77.96955	3.5
89.96930	0.5
95.08595	0.6
98.97569	1.0
102.07922	0.4
103.98458	2.0
116.98573	0.4
116.99267	2.2
131.00827	0.9
132.83138	0.4
145.02449	0.9
163.02762	0.7
172.04747	0.6
173.05487	0.6
213.08633	1.5
227.10208	3.7
229.11749	3.1
255.09660	0.5
257.11227	0.4
274.97534	0.6
285.10776	2.5
286.11496	1.4
318.10425	0.8
337.17441	1.3
355.18555	100.0
356.18927	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	355.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93689	0.3
55.05529	2.0
56.96571	1.0
67.05508	3.6
68.05853	0.4
69.07072	2.7
69.38344	1.4
70.06602	4.0
71.06931	0.7
79.05501	0.4
81.07074	3.4
88.07635	5.7
89.07999	0.5
89.43258	0.3
95.08617	1.7
96.08923	0.4
96.24827	0.4
98.97587	0.8
102.09199	1.5
105.00188	0.3
106.08665	3.0
109.10143	0.6
116.99345	0.4
121.10199	0.4
128.98602	0.5
129.07034	0.4
146.99620	0.5
156.30150	0.4
217.08160	1.4
315.16360	2.5
326.09979	0.5
333.04263	0.4
333.17386	3.0
337.17487	4.0
337.33096	1.4
351.18454	0.6
354.33691	13.7
355.18619	100.0
355.33987	23.1
356.18936	9.1
356.34384	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.2
57.03436	0.7
57.07074	1.2
58.81815	0.4
59.58041	0.5
61.97469	0.7
62.83200	0.4
62.98244	1.2
67.05508	2.2
69.07058	0.8
77.96957	4.2
79.05489	1.3
81.07057	1.2
83.05000	0.7
83.08610	0.5
89.96942	1.1
91.05487	1.0
93.07055	1.1
95.04969	0.6
95.08598	0.9
97.06538	0.5
97.10202	0.7
98.22710	1.0
101.17509	0.5
103.98492	5.9
106.08054	0.4
107.04959	0.7
107.08613	0.6
109.10141	1.2
113.91783	0.5
116.99281	3.9
117.07040	0.6
119.08620	0.5
125.09662	0.7
127.11184	0.8
131.00780	2.0
133.10204	0.5
135.08070	1.0
137.09650	1.0
140.82222	0.4
145.01343	0.5
145.02394	2.3
159.03937	3.5
159.08023	0.5
161.09743	0.5
173.05531	1.8
187.07034	3.4
188.08986	1.3
201.08632	0.5
202.09421	7.3
217.08104	0.8
230.08925	0.6
257.11264	12.7
258.11667	1.1
285.10693	1.0
286.11496	1.2
289.17902	0.9
295.24515	0.5
305.17502	0.6
315.19162	1.4
319.18994	1.5
337.17422	7.1
337.20734	0.6
355.18564	100.0
356.18881	7.8
356.25928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
62.97971	0.5
62.98265	6.1
67.05485	0.5
69.60324	1.5
77.36958	0.4
77.96960	3.3
81.07052	0.6
93.61506	0.4
98.97589	0.5
103.98492	0.8
107.98296	0.4
108.45318	0.4
109.10130	0.5
121.06557	0.4
128.89517	0.4
140.99232	0.4
142.00043	1.5
176.59286	0.4
188.08987	0.9
198.06247	0.7
199.07065	3.0
217.08162	1.4
229.33881	0.4
255.13261	1.6
257.11118	0.6
287.40952	0.5
297.52893	0.5
299.08643	1.5
309.14468	0.6
311.15872	0.5
337.13687	1.1
337.17514	2.8
355.14767	26.2
355.18546	100.0
356.15134	2.3
356.18884	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	355.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.8
55.05506	4.1
56.05022	1.4
56.60312	0.9
57.03431	1.8
67.05495	5.2
69.03432	16.6
69.07067	4.5
69.25040	2.0
69.25446	1.9
70.06587	0.9
71.04977	1.1
79.05505	10.0
81.03396	1.0
81.07056	4.5
83.04964	2.6
83.06100	24.0
84.04505	13.6
86.09685	1.6
91.05488	9.8
92.19193	0.8
93.07043	14.6
95.04969	8.6
95.08613	4.7
97.02888	2.8
97.06534	1.2
101.07140	12.7
103.05469	4.5
105.04539	1.0
105.07022	13.6
107.04949	7.1
107.08588	7.0
109.06532	3.4
111.65793	0.7
115.05450	1.2
116.06244	0.9
117.07019	13.6
118.07391	1.1
119.04981	0.8
119.08573	5.3
121.02874	1.6
121.06508	18.7
121.10159	4.4
123.04439	1.4
127.03912	1.3
129.06593	100.0
129.42267	0.8
130.04999	12.7
130.06937	1.3
130.07808	3.0
131.04956	1.8
131.08574	5.3
133.06468	3.6
133.10156	0.9
135.04375	1.2
135.08052	2.8
135.11671	4.2
137.05977	1.3
143.08551	2.1
145.06490	6.7
145.10121	29.5
146.10452	2.1
147.04434	0.9
147.07625	15.8
149.05968	13.5
149.09625	5.9
155.08537	1.7
158.07301	1.1
158.08887	1.2
163.11182	23.9
164.11490	1.7
173.09616	14.5
178.10422	0.9
191.10660	95.5
192.11064	4.4
197.27281	0.8
209.11714	34.4
210.12122	1.9
218.06903	3.7
219.02856	0.8
226.14398	1.7
247.04012	1.2
301.33405	1.0
327.07568	2.5
333.07333	1.0
337.17517	1.6
355.07159	2.8
355.12918	2.5
355.17584	9.6
356.10818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
53.03931	1.8
55.01874	2.4
55.05257	2.4
55.05513	33.2
57.03434	10.3
57.07076	13.1
57.79324	1.0
58.32417	1.1
62.69812	0.9
65.03932	2.0
67.05505	80.6
68.05832	3.2
69.07068	34.5
69.07446	1.5
69.75547	1.7
69.75896	4.3
70.06560	1.5
70.07407	1.3
71.04984	2.6
71.08630	6.3
79.05494	25.7
81.07057	100.0
82.07394	4.0
83.04965	3.1
83.08624	29.0
85.06549	4.2
85.10181	3.3
88.07642	2.0
90.35298	1.1
91.05479	19.6
93.07049	30.0
94.07379	1.9
95.04951	2.0
95.08606	82.9
96.08926	4.5
97.06532	9.6
97.10162	17.0
98.23476	1.9
99.08093	3.9
102.09193	1.7
104.07290	1.2
105.04482	1.5
105.07024	16.6
107.08577	18.9
109.06483	1.6
109.10159	39.0
110.10479	2.4
111.08080	3.9
111.11704	6.0
113.09620	1.4
115.07519	1.2
119.08585	13.6
121.10143	26.1
122.10497	1.7
123.11702	22.0
124.12043	1.5
125.09640	2.7
125.13254	2.0
127.11197	1.5
129.05479	2.3
131.08562	1.5
133.10138	19.2
134.10457	1.7
135.11700	12.8
136.05649	1.1
137.09610	2.0
137.13242	8.3
139.11198	1.7
141.12682	2.1
147.11688	10.4
149.13261	12.8
151.11188	1.6
151.14842	6.0
155.14281	2.2
160.70055	1.1
161.13260	11.7
163.14798	13.8
165.16396	5.0
167.14264	1.4
175.14827	9.1
177.16357	2.9
179.14267	1.6
179.17929	3.8
179.96770	1.1
181.16020	1.5
189.16391	5.3
193.15994	1.6
203.18027	2.0
205.40985	1.2
217.19366	1.8
223.72606	1.1
245.22658	44.6
246.22914	3.3
263.23706	54.5
264.23987	2.9
281.24765	1.6
298.13379	1.1
317.07623	1.3
317.11362	1.2
336.51102	1.3
337.27350	35.4
338.27756	3.3
355.18866	1.4
355.28394	10.7
355.33929	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	355.2842
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
53.03927	4.2
55.01862	2.8
55.05511	38.2
57.03429	8.1
57.07075	61.8
59.25125	2.2
64.23331	2.5
65.03914	2.9
67.05504	80.4
69.07069	38.6
69.54234	10.5
70.06561	5.9
71.04994	3.0
71.08644	11.3
79.05492	25.7
81.07053	95.8
83.04987	3.7
83.08620	31.9
85.06522	3.5
85.10185	2.6
88.07632	11.2
89.06015	16.8
91.05483	26.1
93.07046	44.8
93.83864	2.3
95.04959	6.3
95.08603	83.1
96.08949	2.7
96.47714	2.4
97.06530	9.5
97.10164	20.1
98.22686	2.5
99.08092	4.5
103.05439	4.0
105.07021	14.9
106.08691	4.7
107.08583	21.7
109.10151	49.5
111.08068	5.5
111.11719	7.0
113.13233	3.4
119.08574	17.0
121.06498	56.2
121.10142	25.8
123.08062	2.9
123.11707	26.0
125.09600	2.8
125.13258	4.0
129.05502	2.2
133.08594	9.5
133.10129	19.1
135.11665	16.9
137.09566	3.5
137.13251	12.3
139.07585	2.8
147.07997	2.3
147.11694	17.9
149.13293	15.2
151.11194	2.7
151.14789	6.9
152.16347	3.0
161.13315	17.1
163.14888	12.7
165.09109	27.7
165.12767	3.4
165.16368	6.3
167.14235	2.5
175.14796	11.6
177.16429	3.7
179.18002	5.8
189.16301	5.1
193.15930	3.0
200.10625	2.2
227.12762	100.0
245.22627	54.7
246.23039	2.9
263.23685	52.6
264.24091	4.5
337.27341	36.2
338.27600	5.5
338.34177	3.6
355.28424	8.3
356.31137	3.7
356.35242	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
54.33040	1.6
55.01876	2.3
55.05512	34.0
57.03432	7.4
57.07081	20.1
57.43240	1.4
58.61476	1.4
65.03922	2.5
67.05506	76.3
69.07070	44.1
70.05380	2.3
70.05701	1.7
70.06587	8.5
71.04994	2.9
71.08632	9.6
72.04505	2.2
79.05487	20.5
81.07059	100.0
82.07401	2.5
83.04976	1.9
83.08620	31.6
84.40804	1.4
85.06547	2.9
85.10187	6.1
88.07632	11.0
91.05480	14.7
93.07045	27.2
95.04980	2.2
95.08607	86.6
96.08926	3.1
97.06515	8.5
97.10168	23.6
99.08097	4.4
102.09199	2.9
105.07015	13.8
106.08693	5.8
107.08598	22.8
109.09424	2.9
109.10153	38.3
111.08102	4.1
111.11732	8.8
113.09642	6.4
119.08587	17.3
121.10146	30.5
123.11716	25.3
125.09666	3.5
125.13272	2.3
133.10138	18.4
135.11699	17.2
137.06172	1.6
137.09604	1.9
137.13254	9.5
141.12759	3.1
147.11679	11.5
149.13258	15.0
151.14833	7.9
155.14369	2.1
161.13261	14.6
163.14854	13.9
165.12836	1.7
165.16396	8.8
167.14372	1.8
175.14812	11.8
177.16423	2.2
179.17999	4.6
181.15863	1.6
189.16420	4.3
207.17603	1.5
217.19524	2.3
245.22675	50.3
246.23158	3.1
263.23715	50.1
264.24173	3.0
281.24597	2.2
299.25836	4.5
337.27356	27.2
338.27780	2.8
338.34164	4.6
350.33432	1.9
355.18927	1.9
355.28223	10.8
356.35233	77.6
372.13678	1.6
377.14127	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	356.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05513	5.5
56.05030	5.7
56.95279	1.3
57.03435	1.8
66.92058	1.2
67.05498	5.1
69.03432	4.6
69.07060	2.2
69.28683	7.4
71.04993	2.5
77.03916	1.7
79.05493	20.5
80.95546	1.1
81.07061	7.7
83.04976	3.3
84.04505	95.1
85.02904	2.5
90.35726	1.4
91.05480	12.7
93.07045	61.2
94.07355	1.8
95.04974	3.0
97.06525	5.1
99.04460	10.4
101.06027	3.3
102.05542	45.2
102.06207	2.6
105.06345	2.4
105.07035	40.0
107.08595	100.0
108.08926	2.7
109.06533	4.0
111.08112	6.6
117.07019	4.7
119.08595	14.6
121.06519	21.0
121.10149	44.4
122.06879	2.0
122.10489	2.5
123.08095	1.7
130.05008	45.9
130.07806	2.2
131.08575	7.1
135.08055	9.9
135.11690	17.2
145.10124	35.9
147.11714	4.6
148.06049	36.4
149.05969	2.1
149.09615	18.2
163.11188	75.4
164.11559	4.0
165.12740	1.6
166.99718	1.3
173.09628	7.6
181.12241	15.4
191.10675	82.5
192.10985	4.0
192.59906	1.5
208.13370	2.3
209.11713	13.2
226.14392	4.5
227.12781	21.1
234.11374	2.3
246.14824	2.0
262.81866	1.3
264.15952	4.0
268.28317	1.5
274.14410	4.2
278.36389	1.6
292.15472	22.3
293.15799	1.5
310.16476	22.7
311.16891	1.9
338.16058	16.9
356.17075	20.6
357.17621	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	6.0
57.07070	1.9
59.04983	0.9
61.02899	1.6
61.45578	0.6
67.05503	0.9
67.11009	0.6
69.03428	2.3
69.07072	0.6
70.06574	1.3
71.04987	1.9
73.02905	0.6
75.04500	0.9
81.03400	1.3
81.07043	1.3
82.06576	0.8
85.02902	13.3
85.10180	2.4
87.04461	9.6
91.03912	0.7
95.08605	24.2
97.02883	3.2
97.06563	0.8
98.22794	0.7
113.09648	18.7
123.08031	1.3
127.03931	2.3
131.10681	100.0
132.11053	3.1
133.02853	1.2
145.04985	2.1
159.10220	0.8
177.11215	17.0
178.02682	0.9
181.04935	3.0
193.04974	5.3
194.05302	8.1
203.03345	1.0
303.11523	0.8
303.15079	0.7
356.13376	1.3
357.09015	1.3
357.15182	14.2
357.25043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41991	0.8
55.01867	1.8
55.05523	1.7
56.31914	0.8
57.23756	0.9
62.82073	0.8
67.05509	4.6
68.61525	0.8
69.03426	11.6
69.07062	3.3
69.43951	3.9
70.06605	1.0
71.04987	1.6
73.40671	0.9
74.02438	20.0
77.03921	1.0
79.05492	6.9
81.07044	4.9
83.04948	2.1
83.65287	1.0
84.08123	3.8
89.72292	0.9
91.05480	8.7
93.07037	10.6
95.04961	7.3
95.08601	4.0
97.02910	1.6
97.06530	1.1
103.05451	3.5
105.07037	12.4
107.04951	4.3
107.08596	7.6
109.06503	3.7
113.05904	1.2
115.05423	0.9
117.07017	12.1
119.08581	4.2
121.05721	1.4
121.06506	14.1
121.10112	4.4
123.04460	1.7
130.07761	2.7
130.08635	11.2
131.04884	1.7
131.08595	4.3
133.06502	4.2
135.04489	0.9
135.08029	1.2
135.11674	3.7
137.05994	1.0
143.08575	1.5
145.06488	4.1
145.10112	30.6
146.10423	1.1
147.08029	1.9
148.09692	1.5
149.05981	11.2
149.09608	7.3
155.06177	0.9
155.08574	1.2
158.07278	1.1
161.09688	1.1
163.11174	21.2
173.09598	9.6
180.43066	0.9
191.10660	100.0
192.10971	4.7
209.11719	58.8
210.12068	2.8
220.11778	0.9
226.14326	4.9
229.17731	1.0
235.15819	0.9
338.15979	0.9
338.19571	23.5
339.20001	1.5
356.10513	2.0
356.17587	31.2
357.18570	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	356.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.56373	0.6
55.01865	2.3
55.05505	2.7
57.03428	1.3
57.07084	1.2
58.06593	3.1
60.40849	0.7
65.03940	0.9
65.27977	0.6
67.05508	5.2
69.03429	13.5
69.07057	3.0
69.73035	0.5
69.78202	1.4
71.04986	1.0
74.02439	16.5
79.05487	6.6
81.03410	1.4
81.07047	5.2
83.04974	1.8
84.08125	3.9
84.35599	0.7
86.09684	0.8
91.05479	8.2
93.07042	13.8
95.04957	8.0
95.08603	3.6
96.43947	0.6
97.02893	1.2
102.09171	4.7
103.05478	3.4
105.04499	0.6
105.07024	9.7
107.04951	6.3
107.08591	5.3
109.06493	3.6
113.06036	1.4
115.05441	1.8
116.06272	0.8
117.07022	11.2
119.08560	4.1
121.06496	12.7
121.07322	0.9
121.10158	4.2
123.04425	2.6
128.06178	1.2
129.07007	1.5
130.07759	2.4
130.08630	17.3
131.04918	2.1
131.08534	4.1
133.06493	2.5
135.04449	1.0
135.08051	1.8
135.11684	3.8
137.05954	1.5
143.08580	2.3
145.06505	4.1
145.10115	27.8
146.10443	1.0
147.08051	1.8
148.05154	1.4
148.09709	4.1
149.05981	11.8
149.09610	7.2
150.10287	0.9
155.06169	0.6
155.08530	2.2
158.07257	1.4
161.09622	1.1
163.11185	20.2
164.11559	0.9
173.09598	8.7
174.10027	0.8
191.10664	100.0
192.10999	3.7
202.06032	0.7
209.11723	53.3
210.12080	1.6
226.14377	1.3
266.17358	0.8
320.18411	0.8
338.19641	9.8
356.10800	1.3
356.17413	6.1
356.21262	0.7
357.18671	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	356.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01871	2.4
55.05509	2.6
57.03421	1.0
57.07070	0.8
58.06592	3.3
67.05499	5.7
69.03429	15.5
69.07057	3.6
69.12079	3.0
71.04980	1.9
71.32291	0.4
74.02440	23.6
75.02778	0.4
77.03954	0.7
79.05491	9.6
81.03417	1.3
81.07046	4.4
82.07380	0.6
83.04984	1.9
83.08614	0.5
84.08138	7.0
85.06537	0.5
86.09736	0.6
86.69094	0.4
88.03978	0.4
91.04935	0.7
91.05477	9.3
92.05799	0.5
92.25825	0.4
93.07046	14.2
95.04963	9.7
95.08601	4.8
97.02885	1.8
97.06500	1.1
98.22607	0.7
102.09160	3.4
103.05459	4.5
105.04509	1.1
105.07025	12.9
107.04951	5.4
107.08596	5.9
109.06528	2.9
109.10146	0.9
111.04440	0.9
113.05991	1.8
114.09167	0.4
115.05443	1.7
116.06286	0.5
117.03366	0.4
117.07011	13.9
118.07330	0.5
119.08580	5.5
121.06506	16.1
121.10133	3.8
123.04422	1.2
123.08063	0.6
125.05899	0.6
128.06258	0.8
129.07007	1.8
130.07753	4.3
130.08630	30.3
131.04901	2.4
131.08556	4.9
132.05731	0.9
133.06505	3.3
133.10114	0.7
135.04425	0.9
135.08038	1.9
135.11703	4.7
137.05968	1.1
142.37152	0.5
143.08545	1.3
145.06468	3.8
145.10118	33.6
146.10498	0.8
147.08054	1.2
148.05185	0.7
148.09676	12.8
149.02019	0.4
149.05974	11.4
149.09601	5.5
150.10329	0.8
155.08501	0.8
158.07262	1.4
161.09586	1.1
163.07523	0.7
163.11185	23.8
164.11531	1.1
173.09608	9.3
175.07526	0.6
186.42206	0.5
191.10657	100.0
192.10956	4.2
209.11714	47.5
210.12036	2.1
266.17477	0.9
306.97156	0.5
327.07944	0.6
338.19559	3.1
356.10675	1.8
356.16830	0.6
356.20944	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	356.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	17.5
55.05515	100.0
57.03444	28.3
59.04992	6.6
67.05501	67.7
69.03431	18.3
69.07074	56.9
69.97089	8.4
69.97442	10.7
71.05003	8.0
77.18463	4.4
79.05489	67.6
79.22242	4.2
81.03417	27.7
81.07056	45.6
83.04990	19.0
83.08622	55.0
85.06525	6.2
88.76277	4.3
91.05480	56.0
93.07040	40.8
95.01325	31.6
95.04976	50.1
95.08619	19.7
97.06548	25.4
97.10172	84.6
98.97602	8.4
105.07032	30.7
107.04983	32.2
107.08607	63.6
109.02891	14.6
109.06495	35.2
109.10171	14.7
111.04454	15.6
111.08117	6.5
113.06031	9.6
115.07545	6.6
117.07043	13.3
119.08570	32.9
121.02887	41.6
121.06506	39.5
121.10091	8.0
123.04439	16.1
123.08100	11.2
125.09642	88.4
129.07007	11.8
131.08604	15.3
133.06490	13.8
133.10129	10.7
134.26515	4.1
135.08070	49.9
135.11636	4.3
137.09645	14.2
141.07014	4.7
145.06480	6.2
145.10202	8.8
146.07349	4.4
147.08020	13.1
147.11688	38.3
153.09137	21.1
157.10153	17.8
157.12271	8.6
159.08051	78.7
161.09628	8.2
163.07585	14.8
163.11220	5.5
165.12836	5.5
171.10132	5.8
173.09720	5.8
175.11243	19.3
185.09534	8.6
187.14900	5.1
193.12207	47.6
203.10820	9.8
203.12759	76.3
211.11203	7.4
215.14371	6.0
217.08147	15.3
219.13814	17.1
221.11742	75.6
237.14774	8.6
239.12700	22.8
247.13261	25.5
251.16423	13.4
253.15958	11.2
261.18692	5.0
261.22324	4.6
265.14371	10.0
271.16943	16.7
289.17978	41.2
307.19113	6.6
321.20673	12.6
356.18857	62.8
357.20120	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
53.13837	1.4
55.01876	8.7
55.05511	29.5
55.42939	1.6
55.66886	1.3
57.03441	5.1
57.07080	1.6
62.98257	1.5
66.02052	1.5
66.45490	1.5
67.05505	38.2
68.49533	1.5
69.03429	4.8
69.07075	9.4
70.12487	3.8
71.04991	3.0
76.02288	1.8
79.05493	20.9
81.03423	6.8
81.07055	27.0
81.85807	1.6
82.07401	2.3
83.04985	100.0
83.08615	4.3
84.05322	2.0
85.06542	4.7
91.05481	27.4
93.07040	24.0
95.04973	11.1
95.08604	19.7
97.06529	27.5
97.10157	2.1
97.74657	1.8
98.22803	2.2
98.97602	1.8
99.08100	2.3
103.05531	1.4
105.07030	23.3
106.07349	1.7
107.04945	3.4
107.07355	1.4
107.08598	20.0
108.08904	1.6
109.06474	7.1
109.10180	21.2
111.08079	5.2
115.07590	1.9
117.07027	4.5
119.08572	6.9
121.06457	2.0
121.10175	7.7
123.08053	11.8
123.11713	6.1
125.06001	4.4
125.09608	2.5
129.06998	2.6
131.08566	6.6
133.06459	2.8
133.10135	41.2
134.10455	2.3
135.08049	7.5
135.11687	3.6
137.09601	2.0
141.09050	2.9
145.10162	4.2
147.08064	2.4
147.11693	5.9
149.09598	8.7
151.11172	24.9
157.10059	2.4
163.11221	3.8
171.11786	2.0
173.09663	2.5
173.66217	1.7
175.11241	4.3
177.09129	2.1
179.10715	3.6
183.13831	4.5
187.07086	2.4
191.10724	2.2
193.12268	6.8
203.01942	2.0
207.13849	2.6
244.36131	1.5
246.53842	1.7
261.18396	3.6
271.16956	3.3
289.17966	18.3
292.98685	2.1
321.20532	2.3
356.18869	10.3
357.20120	97.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01863	2.3
55.05509	17.0
57.03425	1.0
57.07060	4.5
59.04983	1.5
67.05507	16.8
69.00005	1.0
69.03418	1.4
69.07071	17.3
69.34984	5.7
70.06586	11.4
71.04992	12.7
72.08141	4.5
74.06058	1.1
79.05496	14.5
81.03413	1.6
81.07056	41.1
82.07406	1.5
83.04941	2.2
83.08627	11.1
85.06544	2.3
87.04446	1.2
88.07130	1.3
88.07636	14.2
91.05462	7.5
93.07043	14.5
95.04966	4.3
95.08614	13.7
97.06547	6.0
97.10155	4.3
99.04418	1.5
99.08073	2.3
102.09153	4.1
105.07048	11.3
106.08666	8.4
107.04934	3.1
107.08601	8.8
109.06522	13.7
109.10146	4.5
111.04438	1.9
111.08051	3.2
113.09623	2.0
117.07014	2.6
119.08600	7.9
121.06516	2.8
121.10133	7.6
123.08063	3.8
123.11694	1.7
131.08539	6.8
133.10136	7.1
135.08067	1.6
135.11681	4.5
137.09607	2.9
144.22305	1.0
145.10130	5.8
147.11671	8.7
149.09618	5.0
149.13248	3.5
151.11142	2.0
157.10129	2.2
159.11713	3.2
161.13271	1.7
163.11168	3.9
163.14865	1.3
165.12715	2.2
171.11739	1.6
175.11240	1.9
177.12834	2.4
187.11089	1.3
193.12178	2.3
197.13371	1.5
207.13867	1.1
226.22491	1.1
227.12709	1.3
229.19371	1.8
239.17943	1.4
241.17291	1.0
247.20671	2.1
247.24440	1.1
257.18979	5.1
275.20065	44.4
276.20483	3.7
289.21652	2.1
307.22687	32.2
308.23080	3.5
321.24289	2.0
338.34109	6.4
356.28772	18.5
356.35211	100.0
357.35443	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	356.3525
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
55.05511	9.2
57.07073	1.6
57.39252	0.3
58.06596	0.7
62.06077	0.5
66.74323	0.2
67.05498	0.6
69.06711	0.5
69.07069	7.9
70.06594	12.9
70.73196	0.3
71.08622	0.9
74.06063	0.5
74.43517	0.3
79.05429	0.2
79.68608	0.2
81.07045	0.5
82.26415	0.2
83.08620	4.3
85.06532	0.3
85.10187	0.6
86.06045	0.5
88.07629	17.2
97.10178	1.4
102.09177	3.5
103.97535	0.3
104.07001	0.3
106.08667	8.4
111.11787	0.3
111.17175	0.3
181.24908	0.2
190.19571	0.3
210.25237	0.3
217.47050	0.3
260.67050	0.3
312.32620	1.0
338.34137	5.6
348.13608	0.3
356.35217	100.0
357.26181	0.4
357.35516	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22437	0.2
69.63561	1.0
86.09708	0.9
87.46185	0.3
98.23447	0.6
100.11272	0.4
105.07029	0.4
108.59411	0.3
114.09135	0.3
132.25131	0.3
195.13617	0.4
203.05176	0.4
204.06325	0.5
206.04248	0.6
334.24338	0.3
357.14880	3.8
357.18814	100.0
358.19141	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	357.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
60.34745	0.6
65.21027	0.5
67.05507	1.0
69.25784	0.6
69.43364	1.2
69.43752	1.6
86.09679	0.6
116.45170	0.6
121.11144	0.6
131.21159	0.7
137.05962	4.1
151.03925	2.1
181.05049	1.4
222.82161	0.6
260.60315	0.6
279.38800	0.7
322.33694	0.7
325.16147	1.5
334.90445	1.0
357.14041	4.3
357.18832	100.0
358.19199	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	357.2017
Annotation	TMC 96
Peak:m/z	Relative Intensity
67.05503	1.5
69.26524	3.5
71.04998	1.8
77.96966	1.4
80.94853	0.9
81.07066	1.0
83.04977	1.4
91.05461	1.0
93.07048	1.4
98.23506	1.5
98.97609	1.6
105.06304	0.8
105.07051	2.0
107.08627	1.4
109.06516	3.0
109.10159	1.1
111.08073	1.4
116.98610	1.7
116.99336	1.5
119.08588	1.2
120.43076	0.9
120.97615	0.8
137.09721	1.3
137.83131	0.8
151.07568	1.2
159.11696	1.2
173.05534	3.8
215.06548	1.3
221.15515	1.3
245.07655	3.0
246.08502	2.3
325.11346	1.1
339.19232	1.5
357.20142	100.0
358.20447	8.9
358.33292	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2014
Annotation	TMC 96
Peak:m/z	Relative Intensity
55.05510	1.0
62.98275	0.4
67.05499	0.6
68.77402	0.3
69.07050	0.5
79.05487	0.9
80.05841	0.4
80.17049	0.3
81.07063	0.9
83.04937	0.4
89.38430	0.4
91.05474	0.7
93.07049	0.8
93.44101	0.4
95.04979	0.5
95.08585	0.5
107.08591	0.6
108.31564	0.3
109.10168	0.4
116.99271	0.5
121.06485	0.8
149.09659	0.4
173.05511	1.0
185.09183	1.5
201.08678	0.9
203.12746	0.5
217.08127	18.0
218.08456	0.5
231.09688	1.4
243.09760	0.9
257.11282	1.3
284.73019	0.3
339.19272	0.4
357.20139	100.0
358.16077	0.8
358.20392	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	357.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.4
55.27051	0.6
62.98267	3.1
62.98526	0.6
64.48904	0.7
67.05496	2.4
69.07082	1.4
69.56639	2.6
69.61575	0.7
71.04980	0.8
79.05489	2.1
81.03416	1.8
81.07053	2.9
83.04973	1.3
83.08611	1.3
85.06504	0.6
91.05468	1.7
93.07047	1.9
95.04961	1.4
95.08588	0.9
105.07079	1.6
107.08604	0.7
109.06526	1.5
111.08086	1.7
119.08537	0.9
123.08065	1.1
131.08566	1.0
133.10139	1.2
147.11647	0.7
162.29068	0.6
162.80893	0.6
188.55347	0.7
193.12271	2.4
217.08160	1.3
257.11292	9.6
291.19504	0.8
317.20905	7.2
335.20654	1.0
339.19089	29.3
340.19513	2.4
357.20139	100.0
358.20422	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	357.2022
Annotation	TMC 96
Peak:m/z	Relative Intensity
62.98269	1.0
67.05505	1.1
69.07049	1.2
69.70715	2.8
71.05035	0.9
80.94848	1.6
81.07080	1.0
86.09691	1.0
91.58449	0.9
93.07050	1.4
98.97583	1.8
105.07037	1.1
107.08639	1.0
109.10178	1.2
111.08054	1.5
189.05252	1.6
219.17332	1.0
219.90129	0.8
220.09256	0.9
240.23149	0.8
257.11298	2.4
317.20862	1.2
334.90173	1.4
339.19153	7.0
357.20187	100.0
358.20410	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	357.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01867	1.8
55.05253	0.8
55.05508	8.0
56.65690	0.4
56.96572	0.6
57.03422	0.5
57.78283	0.3
60.12054	0.3
65.03940	0.4
65.26791	0.5
67.05499	0.9
69.03439	3.0
69.07076	1.0
71.46651	0.4
79.05496	0.4
80.59531	0.4
81.07072	2.1
83.04970	0.6
83.08617	4.8
86.09705	14.2
87.83176	0.3
91.05488	5.1
91.53094	0.5
93.07045	9.3
95.04976	2.1
95.08607	0.7
105.04533	0.9
105.07008	0.5
111.08083	100.0
112.08402	2.5
115.04745	0.4
115.05405	2.3
117.07027	3.3
129.09154	0.4
143.04916	1.7
145.06487	19.2
146.06783	0.9
172.81856	0.4
196.17010	1.1
213.19656	1.1
230.15381	6.7
245.16811	0.6
247.18066	26.2
248.18388	1.8
273.16055	2.0
317.14337	0.7
335.15338	3.9
339.24240	0.6
353.16272	1.8
357.10910	0.5
357.20682	1.3
357.25354	23.9
358.25775	2.1
358.33151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	33.1
56.05821	1.9
57.03432	5.1
57.07078	21.2
58.06594	1.9
62.67743	1.5
67.05510	30.0
68.05826	1.7
69.06714	2.8
69.07072	42.7
69.27643	8.7
70.06597	10.8
70.07401	3.4
71.04981	2.3
71.08625	14.2
73.16810	1.4
75.04479	2.4
79.05498	17.9
81.07054	37.5
83.08621	31.7
85.06531	2.5
85.10192	5.8
88.07629	15.3
89.07975	4.0
91.05476	3.6
93.07049	26.9
95.04954	2.0
95.08610	35.8
97.06534	15.5
97.10175	17.8
98.10549	2.4
98.23505	2.9
102.09190	3.9
106.08673	6.3
107.08559	16.1
109.10147	20.7
111.08080	5.2
111.11733	6.5
119.08570	2.8
121.10144	38.7
123.11713	7.4
125.09573	2.2
125.13257	2.6
135.11697	29.7
137.13228	2.2
139.11172	4.3
149.13242	11.3
151.14795	3.6
157.12282	1.9
163.14853	7.4
165.16408	2.7
167.14339	2.2
177.16415	3.4
181.15877	2.0
191.17921	2.5
196.54910	1.5
247.24194	30.6
248.24615	2.2
265.25299	36.6
266.25555	4.6
283.26343	2.5
293.21066	2.0
295.83490	1.8
337.19012	1.7
339.28922	21.1
339.34647	4.5
340.29306	2.1
357.35583	100.0
358.20132	2.0
358.36493	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	357.3
Annotation	MG(18:1(9Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
53.03942	2.8
55.01865	1.9
55.05514	67.9
56.05857	2.6
57.03440	12.6
57.06815	2.9
57.07080	41.8
65.03951	2.2
67.05506	85.6
68.05837	2.2
69.07069	100.0
70.06586	7.7
70.07406	3.5
70.25285	1.4
70.65281	2.7
71.04996	4.9
71.08635	24.3
73.06548	1.5
74.70098	1.5
75.04482	3.9
79.05495	48.3
79.31217	1.5
79.98927	1.7
81.07059	88.3
82.07391	2.3
83.04971	2.8
83.08121	3.4
83.08624	68.8
84.08959	1.9
85.06544	4.8
85.10189	15.0
87.04459	2.3
88.07631	9.9
91.05478	6.5
93.07049	61.9
95.04987	2.2
95.08609	84.4
96.08950	2.6
97.06532	28.0
97.10172	45.5
98.10500	1.8
98.33694	1.6
99.08090	4.2
102.09205	3.1
103.03946	2.4
105.07081	2.8
106.08668	3.3
107.08594	45.9
108.08923	2.5
109.10159	42.8
109.10887	2.5
111.08090	14.0
111.11716	17.9
115.07639	2.1
117.06968	1.6
121.10150	83.5
122.10499	3.4
123.11707	16.3
125.09643	5.7
125.13282	5.9
129.09164	2.6
135.11696	61.6
136.12056	3.1
137.13254	6.8
139.11208	4.4
143.10603	2.2
143.14348	1.7
145.10188	2.0
149.13258	29.7
149.90950	1.4
150.13637	2.0
150.29442	1.8
151.14821	8.4
153.12791	4.8
157.12257	2.8
163.14830	14.0
165.16383	11.3
167.14349	3.3
169.15788	2.0
177.16394	6.9
180.23897	1.7
181.15919	2.8
191.18005	5.5
199.17068	1.7
205.19522	2.2
247.24234	74.5
248.24655	4.4
265.25272	82.0
266.25589	5.0
283.26324	6.8
302.61725	1.5
339.28949	56.3
340.29236	5.7
340.35620	2.2
345.61807	1.6
357.29315	5.8
357.35550	24.5
358.36783	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01856	2.2
55.05259	4.2
55.05512	66.9
56.05849	3.8
57.03435	12.1
57.06812	2.8
57.07080	36.6
60.19799	1.9
67.05507	69.4
69.07068	100.0
69.29378	8.7
70.06609	12.5
70.07410	2.5
71.04990	4.2
71.06906	2.7
71.08630	24.5
75.04465	3.0
79.05495	46.1
81.07059	87.9
83.04983	4.7
83.08622	65.7
85.06519	3.5
85.10184	12.9
88.07637	20.2
89.07964	2.7
91.05489	7.6
93.07041	52.1
95.08604	80.4
95.09219	3.9
96.08953	1.9
97.06534	21.4
97.10170	44.5
98.23418	3.5
99.08107	4.6
102.09200	4.3
103.03940	4.1
105.07071	2.1
106.08684	8.9
107.08592	41.5
109.10159	38.0
111.08092	9.9
111.11716	11.8
119.08575	1.7
121.10150	77.3
122.10491	3.5
123.11720	16.7
125.09624	5.8
125.13255	4.2
129.05469	2.5
135.11691	59.1
136.12059	2.6
137.13264	5.9
139.11182	7.4
139.14738	2.2
143.14255	2.0
149.13264	24.3
151.14821	8.6
153.12724	4.1
163.14850	10.6
165.10809	2.1
165.16370	7.0
167.14407	3.2
171.13895	2.4
177.16374	6.6
181.15964	3.9
186.36897	2.0
191.17899	5.6
195.17451	2.2
205.19507	2.5
247.24214	74.9
248.24519	5.5
265.25259	79.2
266.25632	5.0
283.26331	2.9
322.77365	2.1
339.28961	51.2
339.34518	5.4
340.29239	3.9
340.35602	3.0
357.30743	4.6
357.35519	94.2
358.36768	60.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.6
59.04994	1.7
70.06589	0.7
70.08946	0.5
70.63053	1.1
79.84321	0.5
82.50586	0.6
84.08130	0.8
86.09692	1.8
89.06033	1.4
97.02827	0.8
103.07579	2.3
147.04462	0.6
156.13812	1.0
196.13148	1.9
209.34415	0.6
224.05881	0.8
263.84891	0.5
341.21552	0.7
358.18359	100.0
359.06509	1.2
359.19012	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	358.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04991	7.4
70.06584	5.7
70.32615	3.6
72.08147	2.4
72.94260	1.7
84.08105	2.0
86.09699	4.1
87.04465	31.3
89.06033	65.1
96.51780	1.5
98.98448	2.2
103.03940	100.0
103.07595	3.1
107.07075	1.8
119.07076	3.5
121.08633	3.5
131.07039	6.5
133.08595	38.3
147.04448	3.2
147.06529	8.8
163.09560	2.1
175.09679	4.3
177.11209	8.8
191.09119	4.6
207.12337	6.9
221.13872	2.6
235.11758	7.5
239.14833	2.1
269.42310	1.9
295.17490	5.2
313.18579	3.0
315.33478	1.7
323.16953	3.4
341.18124	27.6
358.15118	4.1
358.19824	2.2
359.13049	2.5
359.16745	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	358.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01850	0.8
57.03432	1.6
61.02916	1.9
63.86019	0.7
69.03442	3.6
69.07037	0.7
69.92365	1.4
69.92691	0.8
70.06581	2.9
72.08162	1.8
73.02926	3.7
73.06560	40.3
74.06891	1.1
81.03423	1.9
83.04965	0.9
85.02914	13.0
86.09703	1.9
87.04436	0.6
88.04005	0.7
89.06036	30.2
91.03957	0.8
91.07593	2.9
97.02911	3.5
98.32207	0.5
98.97541	0.7
99.08095	1.0
101.06024	1.1
109.02837	0.8
113.05983	1.7
114.81929	0.7
115.07572	0.6
116.07081	0.9
116.08372	1.2
116.45927	0.6
117.09138	38.9
127.03926	1.9
131.46851	0.7
133.08607	15.3
136.06184	2.8
137.05966	0.7
145.04980	2.0
161.05942	0.8
161.11722	0.8
162.07622	0.9
167.07063	1.9
168.07379	1.1
178.08649	1.2
178.12199	1.2
179.12793	100.0
180.06546	0.6
180.13115	2.7
181.04929	0.7
182.05287	0.8
196.13304	2.3
241.60016	0.6
267.28860	0.6
301.12781	0.8
358.15479	5.9
358.20303	1.9
359.11258	2.6
359.16779	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	358.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61261	2.5
52.55529	2.5
54.21508	2.6
55.01884	6.6
55.05513	14.9
57.03434	13.1
66.43831	2.8
67.05513	23.7
69.03448	3.9
69.07076	8.5
70.58360	5.2
71.04994	3.6
76.41094	2.8
79.05499	16.6
81.07059	15.6
83.04982	12.4
83.08656	4.8
85.06543	9.5
91.05478	8.5
93.07059	12.6
93.25704	2.6
95.04967	29.3
95.08612	9.1
96.17527	2.7
97.02885	10.8
97.06536	8.9
97.10183	20.0
98.97542	3.7
105.07042	7.1
107.04991	3.4
107.08611	11.7
109.06509	16.2
109.10180	11.6
111.04424	15.6
111.08084	5.7
112.33698	2.6
113.06001	40.1
117.07064	4.1
119.04984	3.7
119.08563	6.6
121.10133	7.3
123.04428	9.4
123.08085	3.5
123.11692	5.7
123.88908	2.9
125.06043	3.5
125.09664	17.2
125.10460	4.0
131.08568	4.4
133.06465	4.6
133.10143	5.1
135.08076	7.5
135.11717	7.1
137.05977	13.6
145.10123	6.3
146.74066	2.6
149.09647	4.6
151.07552	3.4
153.12836	7.5
157.10251	3.0
163.11209	10.2
175.07588	5.7
179.07103	3.5
181.12259	9.9
181.23514	2.5
187.11301	2.9
189.11214	13.5
191.10706	12.8
193.12286	8.8
209.11702	4.1
227.12856	11.4
265.14334	28.0
277.18094	4.1
287.16400	21.5
288.16815	5.2
305.17484	100.0
306.17886	10.0
323.18561	7.8
334.90372	7.0
350.31485	2.9
358.20422	6.0
359.22040	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	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63233	1.9
67.05493	5.7
69.07068	3.5
71.04961	3.2
79.05493	4.3
81.07056	11.1
87.04470	4.8
87.23942	1.8
93.07035	2.8
95.08600	4.5
109.06541	4.8
111.04449	5.9
119.08566	3.1
121.10110	2.6
126.65311	2.1
137.05971	51.9
137.09570	2.4
137.13278	1.8
138.06296	2.6
147.11606	2.5
151.11081	2.0
161.09593	3.7
175.11188	2.4
175.31892	2.1
179.10657	2.9
203.17958	2.8
231.17500	3.7
249.18428	3.8
277.17990	100.0
278.18286	5.5
295.19061	23.7
308.19507	2.9
317.17822	3.6
358.20200	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	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50648	1.8
51.91485	1.7
55.05506	5.3
57.07074	3.7
59.04988	2.5
60.04516	5.4
67.05512	9.6
69.07072	100.0
69.48516	8.4
69.58125	2.0
70.06593	5.5
71.04999	52.2
73.02905	7.7
73.13592	1.9
79.05497	16.9
81.07080	11.6
83.04991	4.1
83.08588	3.4
87.04477	3.3
88.07619	5.3
88.75910	2.2
91.05486	5.2
93.07049	8.2
95.04962	5.7
95.08615	6.0
97.06524	27.9
98.23381	4.1
105.07025	6.8
107.08610	2.6
115.07578	51.3
119.08586	4.8
121.10103	2.3
129.09062	2.6
131.08595	2.2
147.11667	2.4
159.11821	2.3
173.71594	2.0
262.25446	2.3
301.38428	2.2
317.17984	2.7
318.28973	2.2
320.00934	1.9
334.32727	1.8
335.18732	2.9
340.28308	4.9
357.35626	9.4
358.36548	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
55.01863	6.5
55.05513	38.7
57.03435	25.4
67.05505	45.8
69.03443	9.4
69.07066	26.9
69.55591	7.3
69.55933	17.3
70.06605	4.2
71.04996	15.8
79.05486	75.5
79.05893	6.9
81.03419	19.5
81.07053	100.0
81.07500	7.6
81.20287	4.1
83.04972	13.7
83.08621	20.2
85.06561	5.4
88.07636	12.8
91.05471	37.7
93.07047	59.7
93.92069	4.0
95.04967	26.1
95.08607	36.7
97.06550	16.6
97.10167	24.8
99.82660	4.6
105.07037	30.0
107.04965	12.1
107.08588	33.6
109.06503	75.3
111.08050	6.3
117.07030	7.9
119.08591	20.0
121.06548	7.2
121.10133	46.8
123.08066	14.6
125.09635	30.0
131.08571	20.5
133.10127	12.7
135.08083	5.8
135.11684	10.5
137.09631	4.4
139.11183	12.6
143.08588	8.1
145.10144	15.5
147.08086	9.9
147.11743	10.2
149.09627	21.8
153.09134	6.5
157.10188	10.0
159.11697	8.4
161.13245	4.7
163.11203	8.2
165.12787	6.7
167.10713	7.5
169.73158	4.0
171.11711	8.4
173.09651	7.1
174.24187	4.1
175.11211	10.4
177.12776	7.6
181.12173	4.4
189.12639	4.9
191.10771	7.9
203.12798	13.3
251.16315	7.4
273.18509	15.0
291.19516	6.9
305.21063	14.3
322.23932	8.5
323.22253	10.9
340.24637	9.1
349.35239	4.6
354.87668	5.1
358.20316	16.8
358.25848	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50721	2.3
51.63510	2.4
55.05513	5.1
55.19189	2.4
57.03442	3.4
59.04997	21.0
64.10020	2.7
65.03945	6.0
67.05503	63.1
69.07058	3.4
69.80944	8.9
71.04993	8.9
79.05486	6.6
81.07052	14.2
83.04954	3.6
85.06565	14.8
91.05490	5.4
93.07049	10.5
95.04970	100.0
95.08613	8.8
97.10176	3.8
98.97599	5.2
99.08102	25.5
105.07040	9.1
107.04883	5.5
107.08592	6.3
109.06532	14.8
116.98766	3.5
117.07009	3.2
119.08570	4.6
121.10148	6.9
127.07564	46.4
131.08563	4.9
133.10165	6.0
135.08073	7.7
135.11711	3.8
143.08597	4.0
144.54259	2.7
145.10120	6.0
147.08078	4.5
161.09599	5.9
161.79909	3.0
199.14661	3.1
217.15883	3.2
255.17511	4.6
268.63898	2.9
273.18561	12.9
291.19540	41.3
305.21051	6.0
315.38284	2.6
323.22284	3.7
334.90292	4.6
358.20041	6.4
359.21918	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50648	1.8
51.91485	1.7
55.05506	5.3
57.07074	3.7
59.04988	2.5
60.04516	5.4
67.05512	9.6
69.07072	100.0
69.48516	8.4
69.58125	2.0
70.06593	5.5
71.04999	52.2
73.02905	7.7
73.13592	1.9
79.05497	16.9
81.07080	11.6
83.04991	4.1
83.08588	3.4
87.04477	3.3
88.07619	5.3
88.75910	2.2
91.05486	5.2
93.07049	8.2
95.04962	5.7
95.08615	6.0
97.06524	27.9
98.23381	4.1
105.07025	6.8
107.08610	2.6
115.07578	51.3
119.08586	4.8
121.10103	2.3
129.09062	2.6
131.08595	2.2
147.11667	2.4
159.11821	2.3
173.71594	2.0
262.25446	2.3
301.38428	2.2
317.17984	2.7
318.28973	2.2
320.00934	1.9
334.32727	1.8
335.18732	2.9
340.28308	4.9
357.35626	9.4
358.36548	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97158	10.7
55.05506	34.4
57.03447	15.1
58.79539	13.2
65.89841	11.2
67.05508	93.4
68.56573	9.8
69.07070	88.1
69.65169	33.8
71.04641	13.5
71.04997	49.0
79.05479	80.1
81.03429	53.5
81.07065	100.0
83.08635	15.7
85.06567	17.8
91.05487	59.6
93.07050	87.3
95.04987	55.8
95.08605	57.8
97.06536	92.0
97.10135	13.6
98.97604	18.8
99.08112	15.1
99.22141	11.6
105.07047	38.5
107.05022	13.2
107.08607	37.5
108.62744	10.9
109.06509	54.3
111.07994	10.8
111.51168	11.5
113.06019	15.7
115.07585	48.1
117.07008	24.2
119.08595	30.7
120.36936	10.9
121.10165	29.1
121.55429	11.9
125.09653	14.6
129.06969	14.4
130.84024	10.8
131.08574	33.9
133.10146	27.0
135.08081	17.3
135.11696	17.8
138.28000	11.5
139.11243	12.6
141.07083	12.9
143.04901	21.2
145.10139	26.2
147.08028	14.3
149.09641	20.6
149.13289	16.9
159.11678	26.8
168.38054	11.8
169.10349	12.8
171.11829	11.2
175.11169	11.7
177.12740	23.4
187.11121	14.4
193.12306	13.5
203.96190	10.5
217.78224	12.2
233.15021	11.1
273.18491	19.1
303.16901	19.7
327.19266	23.6
334.90378	17.9
358.20313	36.5
359.21854	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	358.9988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	7.0
61.08228	1.0
68.22974	1.0
70.96059	1.4
90.31815	1.1
98.97589	66.0
115.66653	0.9
116.98629	32.3
119.02013	1.3
128.99940	0.9
134.99652	8.9
156.96713	1.4
159.67976	1.0
172.94431	3.5
174.97647	11.9
175.97794	1.2
177.01006	2.9
179.00723	2.0
190.95485	3.0
192.94965	1.3
192.98740	8.6
198.97585	5.6
204.02641	1.0
208.96748	1.4
214.95609	7.7
216.98717	46.4
217.98947	3.4
219.02005	2.3
221.01833	1.8
232.96591	17.7
233.50832	0.9
233.96805	1.5
234.99771	57.3
235.99944	3.2
238.95712	2.0
240.98692	1.8
250.97736	9.4
252.97281	1.5
253.00749	1.3
255.19629	1.0
256.96698	22.2
257.96826	2.1
258.99783	14.1
260.00027	1.2
260.99973	1.4
261.03122	3.5
262.03229	2.1
263.02811	4.9
268.94913	1.7
274.94562	2.0
274.97714	36.2
275.97925	4.2
276.97946	2.1
277.00851	17.8
278.00998	2.7
279.00772	2.4
280.96826	1.1
284.99847	5.3
292.95126	3.4
292.98758	6.2
293.95743	2.5
298.97763	58.9
299.97913	6.9
301.00983	2.2
303.00946	6.4
316.95105	11.7
316.98770	80.9
317.98880	9.7
334.96292	10.2
334.99948	2.0
340.00519	2.1
340.94577	1.8
340.98825	48.6
341.99054	6.2
358.99884	100.0
359.03394	5.1
359.96060	1.7
360.00018	14.9
376.97302	3.1
377.01514	5.2
382.01581	3.1
383.01138	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
65.65540	0.8
70.06635	1.0
71.46986	1.3
86.09699	9.9
87.10046	1.8
119.01964	1.3
137.05988	5.3
147.04408	1.5
167.06902	1.0
175.07581	1.7
179.07129	1.0
192.03917	1.9
199.17989	1.6
273.13226	1.5
292.44122	1.0
311.12692	1.1
315.14142	13.6
328.80902	1.1
359.13120	100.0
360.13599	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	359.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36537	1.0
61.94874	1.0
67.05486	1.3
69.03435	2.2
69.08980	1.0
69.64652	2.4
69.65040	2.1
70.06586	6.5
72.08147	2.8
75.98662	1.3
81.03436	1.1
81.07047	1.8
84.08149	2.0
85.02924	5.6
86.09719	5.7
90.22437	1.0
91.05475	2.5
92.90255	1.1
93.07018	2.2
96.08150	1.7
97.02911	1.9
98.22748	2.2
99.04549	1.2
105.07040	2.0
107.08573	3.5
109.02867	3.4
120.08106	1.2
127.03928	2.6
129.10193	1.4
133.10130	3.2
135.11676	2.7
145.04967	1.7
146.50458	1.2
147.04425	1.5
161.09607	2.1
162.03157	3.5
163.07501	1.3
177.05499	1.7
179.10696	6.6
179.12082	1.3
185.04198	10.9
186.33821	1.0
191.07050	1.2
197.07863	100.0
197.11711	18.5
198.08275	2.4
198.46785	1.2
208.09758	2.1
359.13397	98.5
360.10449	5.7
360.13763	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	359.1338
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
50.24709	2.0
55.05515	2.8
57.21608	2.1
65.03936	2.1
68.30923	1.9
68.66826	1.9
69.03432	2.8
71.00441	2.3
72.08163	6.3
73.02922	22.1
83.06118	3.4
84.04507	5.3
85.02896	11.4
86.09709	14.8
87.04459	6.1
97.02911	5.2
98.22705	3.3
100.11234	2.5
108.02110	2.2
114.09174	2.2
125.05987	31.2
127.03918	5.8
137.05956	3.8
145.04938	5.0
151.03914	100.0
151.04994	7.6
151.07513	3.5
152.04231	3.9
179.07048	26.4
183.11279	2.5
197.08090	91.2
198.08377	3.0
217.14291	4.5
218.14664	8.2
319.05084	2.2
359.16687	10.0
360.01443	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
55.01873	0.9
58.98627	0.8
67.05532	1.0
69.03428	3.1
69.07064	1.0
70.06590	1.1
79.05489	2.2
81.03426	2.1
81.07072	1.7
84.08151	1.1
85.02896	9.7
86.09707	17.3
88.03978	0.9
91.05479	4.0
93.07047	6.5
95.04986	1.0
95.08614	0.9
97.02894	1.6
98.97601	0.8
102.09210	1.1
105.07023	6.8
107.08595	25.8
109.02920	1.0
109.10167	2.9
119.08559	5.1
121.10144	5.1
123.11728	1.1
127.03924	2.5
130.08670	1.1
131.08580	1.0
133.10127	17.0
134.10518	1.2
135.11665	1.1
137.05984	1.5
137.09636	0.9
139.07497	1.5
143.08577	1.2
143.11844	2.7
145.04974	2.1
147.04472	1.7
149.09634	3.9
151.11159	6.8
161.09625	4.9
167.10678	12.9
171.11276	1.5
176.11629	1.0
179.10666	14.7
189.12328	2.4
192.03917	1.8
197.11725	100.0
198.12032	4.3
201.12358	5.6
229.11879	2.1
341.21564	2.2
350.15372	0.9
359.11130	4.0
359.16644	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.2
53.48893	0.9
55.05512	0.8
56.96559	1.4
57.03432	1.9
59.04996	1.0
61.02917	2.4
67.05514	1.2
69.03436	6.1
72.08154	0.9
73.02922	1.6
79.05489	1.7
80.05421	0.7
81.03409	3.2
81.07053	1.9
85.02905	24.7
86.09712	6.4
87.04472	1.3
91.03938	1.0
91.05460	4.8
93.07049	9.5
95.04965	3.0
95.08616	1.4
97.02885	6.6
99.04430	1.2
103.85767	0.7
105.07036	7.7
107.05003	1.0
107.08595	21.5
109.02883	2.8
109.06536	1.2
109.10155	1.6
119.08581	2.5
121.06493	3.0
123.04409	1.7
123.11681	1.5
127.03889	5.8
133.06485	1.8
133.09178	1.5
133.10129	22.0
134.06830	1.1
134.10474	1.4
135.04424	2.5
135.08070	0.7
135.11697	23.8
137.05899	1.0
137.09615	1.8
137.68372	0.7
141.10133	0.7
145.04968	2.5
147.04404	1.5
151.11154	2.7
161.05988	0.8
161.09610	12.3
167.07053	0.9
170.58856	0.7
179.07103	1.3
179.10669	38.9
180.10982	1.7
193.05028	1.2
197.11728	100.0
198.12115	4.9
200.13902	3.1
207.06538	1.7
208.07298	1.9
226.56451	0.8
239.02342	1.0
359.10043	13.0
359.16693	13.4
360.10449	2.8
360.17227	1.1
381.36734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	8.6
65.16797	8.4
80.76730	8.1
83.18575	8.5
84.67893	9.9
86.09692	26.8
89.03897	17.5
93.07037	9.2
98.23432	18.2
111.08068	26.1
115.05444	50.5
135.71671	9.1
143.04927	100.0
205.01680	9.7
299.12604	10.8
359.15247	8.7
359.22794	62.9
360.25305	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	359.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20574	0.5
57.07061	1.0
57.48930	0.6
66.02116	0.5
67.05487	2.4
69.07057	2.7
70.41049	0.7
71.46676	0.7
72.08161	0.9
74.09300	0.6
81.07056	0.7
84.08141	1.2
85.10175	2.6
86.09709	51.0
89.03926	0.6
91.05484	18.7
95.08607	10.4
102.04700	1.3
103.12331	4.2
111.82616	0.6
113.09632	1.7
115.05454	12.0
116.06238	2.1
117.07021	23.2
118.07352	1.0
118.51607	0.6
119.08584	0.7
129.10277	1.0
145.06487	100.0
146.06844	3.6
160.32182	0.7
162.09132	1.2
163.12871	0.6
198.18523	4.0
215.21204	3.7
230.15408	23.0
231.15643	0.8
241.19080	1.8
247.18065	72.1
248.18420	4.1
250.26160	0.6
341.25797	1.7
359.26913	35.0
360.27148	2.6
365.87283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96971	0.7
56.39693	0.8
61.01172	0.8
61.02949	1.0
69.03425	2.1
69.32795	2.0
69.33197	1.4
70.06593	2.4
72.08150	2.7
79.05480	0.7
81.03431	1.0
84.04502	0.9
84.08141	0.9
85.02888	7.0
86.09710	2.3
87.04446	1.7
89.03928	3.5
91.05479	1.8
93.07011	0.8
97.02898	1.5
98.98483	1.2
100.50443	0.7
107.04951	2.0
109.02849	1.1
117.03354	4.9
121.06526	1.3
127.03935	1.3
135.04416	14.1
136.04733	0.8
137.06026	1.3
145.02832	11.5
148.49046	0.8
151.03912	6.5
162.05507	0.8
163.03906	100.0
164.04291	3.3
167.07011	0.9
181.04955	40.0
182.05173	1.0
199.08578	0.9
207.06519	1.3
233.36359	0.7
254.08102	0.9
257.03162	1.0
283.68188	0.8
284.08679	0.9
325.50958	0.9
359.16672	1.9
360.10892	4.0
360.17496	9.5
360.21576	1.4
361.14545	6.5
361.18280	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.5
61.02943	0.8
65.03939	1.2
69.03419	1.5
70.06599	0.6
70.37009	0.6
73.02882	0.4
79.05485	0.8
84.06343	0.4
85.02916	5.0
86.09699	1.1
87.04515	0.5
91.05459	0.7
93.07062	0.6
95.04968	0.7
97.02945	1.0
105.07047	0.5
111.04469	0.5
117.07016	1.2
118.07411	0.4
121.02891	2.5
121.03929	0.5
121.06475	0.5
123.04466	0.7
127.03924	1.2
133.02820	2.2
133.06454	1.4
135.04367	2.3
135.38039	0.4
137.05951	0.6
145.04929	1.3
146.03638	0.4
147.04427	0.9
149.02341	100.0
150.02661	3.5
151.07581	0.5
163.03905	66.6
163.07498	3.2
164.04282	1.9
167.03476	0.7
167.07057	0.6
177.05438	0.5
177.56520	0.6
180.08714	0.9
181.04955	37.2
182.05197	1.0
193.04965	0.6
207.06523	3.7
208.07283	3.2
311.08694	0.5
333.13171	0.5
360.10748	0.8
360.16531	0.7
361.08673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43912	0.9
54.20176	0.9
55.01875	11.0
57.03434	8.2
58.01510	1.0
61.02927	5.1
69.03429	33.2
70.66479	2.6
71.01371	1.1
71.04985	3.2
73.02919	8.1
81.03426	3.4
85.02906	100.0
86.03213	1.1
87.04482	1.2
91.03960	2.9
94.93029	6.7
97.02896	38.4
99.04461	8.8
101.02396	5.3
109.02885	7.4
112.89600	13.6
114.89340	6.6
115.03947	3.8
127.03920	77.8
128.04208	2.0
136.94029	1.7
145.04962	66.7
163.06010	18.8
180.08667	2.8
188.89584	1.6
198.09749	1.1
204.87035	1.3
210.71021	1.4
212.85187	22.7
248.65654	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75561	0.9
55.01875	10.0
57.03439	8.4
61.02938	6.0
62.72539	0.9
66.57349	0.8
69.03433	33.8
69.03808	2.2
69.88897	2.7
70.03789	0.9
71.05004	2.7
73.02914	6.5
81.03436	4.9
83.01296	1.1
85.02908	100.0
86.03253	1.6
87.04477	1.5
91.03981	1.9
97.02900	35.8
99.04467	8.2
101.02393	5.1
103.03916	1.2
109.02871	5.5
112.89616	16.5
114.89373	9.7
115.03941	3.0
116.89133	1.7
127.03921	76.4
128.04247	1.8
140.04700	1.0
145.04967	74.0
146.05339	2.3
163.06030	17.2
180.08673	3.8
181.05031	0.9
185.78572	1.0
198.09644	1.6
212.78482	0.9
212.85239	6.0
216.98763	2.8
226.86807	1.3
240.98074	1.1
258.99838	1.6
261.92792	1.6
270.99881	2.5
289.09103	1.5
360.06873	0.9
361.11743	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	360.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.7
61.02918	1.6
67.04353	0.7
69.03414	2.1
71.46066	0.9
73.02905	1.2
77.41644	0.7
84.08120	0.9
85.02908	10.2
86.09709	2.1
86.65205	0.7
91.03974	0.9
95.04977	1.0
97.02877	2.1
98.98481	1.3
99.04457	1.0
103.05465	35.1
104.05830	0.8
104.99313	1.2
109.02863	1.0
127.03073	0.9
127.03904	5.0
131.04927	100.0
132.05298	3.9
145.04953	3.7
163.06047	1.9
163.07532	39.7
164.07907	2.2
180.08675	1.5
200.29674	0.8
214.51732	0.8
230.30968	0.7
278.95404	1.3
315.73230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.8
55.01868	13.5
55.05517	31.2
57.03439	33.8
65.03934	9.0
67.05507	87.2
69.03424	19.5
69.07075	36.6
70.38681	14.3
71.04974	21.9
79.05494	60.0
81.03418	38.5
81.07045	40.1
83.04973	14.5
83.08637	27.1
85.02885	14.2
85.06539	9.5
88.55829	5.9
91.05485	32.7
93.07037	41.8
95.04967	50.1
95.08599	41.0
97.06541	30.7
97.10162	22.0
98.98472	6.3
99.04478	6.3
104.99299	5.7
105.07025	18.2
107.04937	29.2
107.05573	5.8
107.08588	38.2
109.06519	100.0
109.10130	24.1
111.08085	11.7
115.07555	14.5
116.98540	6.3
117.06991	10.4
119.08577	20.8
121.06475	19.7
121.10112	10.4
123.08048	14.3
125.09653	29.0
125.10399	5.5
129.07037	11.1
131.08568	8.5
133.06519	8.2
133.10150	8.3
135.08047	22.6
136.36546	4.8
137.09607	15.7
147.08107	9.3
149.09673	6.7
153.09065	12.0
155.10684	6.9
156.21661	5.2
157.10092	11.3
159.08069	19.1
163.07460	7.4
165.09116	8.5
173.09604	7.4
173.11795	23.8
174.12016	5.9
175.11229	5.8
183.26346	5.1
189.11208	16.7
211.13254	6.6
217.12245	6.2
223.13190	7.2
231.13736	7.9
233.15244	7.3
235.13319	17.6
237.14893	10.8
261.18530	5.3
269.67844	5.4
271.16891	15.9
278.95587	11.3
289.17874	39.9
307.18970	15.1
325.20319	6.6
357.42432	5.0
358.27817	5.8
359.73438	8.7
360.21503	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	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	8.4
55.01867	24.1
55.05513	52.4
56.96566	13.1
57.03429	10.9
59.04980	10.4
60.95709	7.1
67.05507	100.0
69.03439	7.8
69.07075	83.1
69.11360	53.2
71.01347	19.9
77.33320	6.8
77.87575	7.2
79.05496	63.3
81.03416	18.9
81.07064	99.3
82.31452	6.9
83.04974	23.2
83.08616	21.8
85.02895	10.3
85.06560	6.9
91.05497	58.7
93.07043	74.8
95.04974	42.5
95.08609	62.4
97.02882	11.4
97.06532	40.3
97.10165	19.3
98.22718	17.9
99.08090	17.5
104.10746	8.0
104.99302	11.0
105.07021	31.0
107.05009	11.7
107.08577	50.1
109.06512	34.5
109.10149	24.1
109.84212	7.4
111.04460	16.5
111.08085	20.7
117.07074	15.1
119.08551	38.2
121.06507	12.4
121.10143	75.7
123.04378	10.6
123.08085	28.3
125.09647	9.9
131.08553	25.8
133.06517	9.1
133.10127	25.5
135.08022	26.3
135.11697	27.6
137.06044	9.5
137.09624	14.0
139.11185	19.5
141.09109	9.6
145.10123	15.1
147.07979	8.3
149.09628	38.4
151.11203	12.8
153.09132	30.9
155.10574	7.3
157.10081	7.5
161.09662	13.3
165.09126	12.9
167.10660	31.4
173.11731	17.0
175.11134	16.3
179.10690	9.5
181.12236	17.2
183.11720	6.8
185.11681	13.0
193.12204	32.1
203.12772	8.0
209.11580	10.6
239.12762	13.0
245.97015	7.2
261.18570	17.7
271.17038	17.7
279.19443	8.4
289.18039	80.8
307.19037	49.9
361.23563	13.0
376.63885	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	360.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65304	4.9
53.03944	7.7
55.01874	17.8
55.05518	37.9
57.03439	61.0
59.04980	9.2
65.03954	6.2
67.05510	99.9
69.03434	17.6
69.07082	26.1
69.60338	24.4
71.04992	10.5
77.12933	5.7
79.05492	100.0
80.05872	5.4
81.03421	67.0
81.07063	54.4
83.04974	28.7
83.08624	23.4
85.06539	15.6
91.05483	73.7
93.07052	71.6
95.04977	62.4
95.08613	65.2
97.02917	6.6
97.06527	49.0
97.10184	20.5
98.22756	12.5
99.04513	6.5
105.04536	5.7
105.07035	35.1
107.04963	67.3
107.08611	42.9
109.06526	58.8
109.10155	35.9
111.04442	10.7
111.08099	16.8
113.06030	10.8
115.07533	5.4
117.07021	23.2
118.34394	5.2
119.04923	5.5
119.08579	32.9
121.06567	26.3
121.10165	23.3
122.08772	5.2
123.04424	9.9
123.08063	29.9
125.09633	21.8
126.87519	5.3
129.07016	12.0
131.08542	29.0
133.06509	14.3
133.10155	22.2
135.08070	32.6
137.09619	19.2
138.91501	4.9
139.11145	6.4
141.09210	6.0
143.08591	8.0
145.10138	10.8
147.08063	9.4
147.11665	10.1
149.06018	6.0
149.09636	12.8
153.09114	9.6
155.10648	11.5
157.10117	5.9
159.08063	15.4
161.09601	7.7
165.09152	9.7
165.36485	5.3
171.11758	7.1
173.11748	22.5
175.11188	8.8
185.13264	5.9
189.11203	8.1
191.10648	10.9
193.12297	10.5
199.11304	8.9
211.13306	8.1
217.12215	10.9
219.13950	5.8
231.13956	9.2
233.15385	15.4
235.13249	36.7
249.14835	7.0
261.18546	6.8
271.16956	13.6
289.17972	32.9
307.19080	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	360.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.0
55.01865	6.8
55.05257	3.1
55.05512	51.6
57.03430	4.5
59.05009	14.8
65.03945	3.4
67.05510	79.5
68.05827	2.4
69.03417	5.5
69.07071	72.2
69.67102	2.2
69.67455	7.3
70.07394	1.9
71.04996	83.2
73.02931	2.0
73.06563	4.6
73.97173	1.8
74.23927	1.8
79.05498	75.0
81.03407	8.2
81.07061	44.5
83.04964	6.2
83.08620	31.1
85.06559	4.9
86.57403	1.9
87.08096	4.6
91.05478	32.3
93.07047	73.1
95.04964	9.7
95.08617	31.1
97.06541	26.9
97.09603	3.0
97.10178	37.4
98.22833	4.1
104.74026	2.0
105.04483	3.1
105.07033	24.3
107.04959	7.4
107.07927	3.6
107.08601	50.6
108.08969	1.8
109.06507	7.7
109.10162	48.9
110.10487	3.0
111.08079	6.1
115.07562	3.6
117.07011	8.0
119.08578	18.1
121.06506	4.2
121.09263	3.8
121.10149	73.9
123.08056	2.7
123.11681	6.2
125.09625	30.0
129.06995	4.4
131.08566	6.0
133.10117	13.3
135.08049	5.3
135.11665	3.9
137.09619	6.3
142.07756	2.0
145.06409	2.3
145.10094	9.7
147.11711	10.3
149.09647	14.7
153.12750	46.7
154.13011	2.2
155.10664	17.5
159.11665	6.1
161.13197	4.7
163.11084	4.6
169.10237	3.0
171.10118	2.2
173.11737	100.0
174.12079	3.3
176.51472	2.1
177.12759	3.3
179.14323	3.4
189.11224	27.0
195.14008	2.1
223.13333	3.8
227.16460	4.2
237.14696	3.2
239.17963	2.0
257.19055	5.7
273.18448	3.0
275.20087	48.1
278.95419	3.4
291.19482	1.9
293.21106	4.5
325.20163	2.1
361.16003	3.0
361.23364	2.6
383.59476	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	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43766	10.0
55.01870	10.8
55.05510	50.4
56.95826	9.6
59.05006	31.3
67.05505	100.0
69.07064	77.4
71.04989	48.3
79.05505	69.1
81.03406	11.5
81.07043	57.0
83.08605	34.1
88.04006	53.6
91.05490	45.4
93.07051	53.9
95.04978	25.0
95.08606	26.7
97.06528	35.3
97.10176	44.1
104.99285	30.1
105.07018	22.4
107.08590	45.6
109.06506	12.2
109.10161	43.2
115.07591	19.8
117.07021	15.2
119.08559	25.1
121.10145	28.7
125.09673	23.0
131.05072	10.0
135.08093	11.1
140.78854	11.3
145.06461	14.6
147.11720	12.0
153.12741	24.4
173.11732	80.1
189.11166	14.2
210.04970	10.5
216.34927	9.5
217.51915	9.7
274.27374	20.9
275.20099	36.2
278.95355	17.9
314.24582	11.9
360.18146	13.7
361.23550	56.8
361.30646	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
55.05506	3.2
57.03431	2.0
57.53278	0.5
67.05508	4.6
69.03426	0.5
69.07055	1.4
70.27987	1.0
71.04971	0.5
72.11674	0.5
73.78977	0.5
79.05501	3.7
81.03412	1.6
81.07056	4.2
83.04971	2.1
83.08598	1.4
85.02882	1.1
85.06543	0.7
91.05485	2.5
93.07036	2.3
94.04164	0.7
95.04971	2.4
95.08624	3.1
97.06523	0.9
97.10184	1.6
105.07013	1.9
107.04965	1.7
107.08603	1.3
109.06519	100.0
109.10136	1.4
110.06877	2.8
113.05983	1.0
119.08619	1.0
121.06481	0.7
121.10174	1.0
123.08079	5.5
125.09639	1.7
129.07005	1.1
131.08595	1.3
133.10136	1.5
135.08051	0.8
136.51073	0.6
137.09642	1.4
141.09030	0.8
144.64830	0.5
147.08090	1.2
149.06038	0.5
155.08513	0.5
157.10121	0.8
159.08049	9.9
161.09590	0.9
163.07544	0.9
165.41298	0.5
173.11732	0.6
175.11169	0.7
185.09644	0.8
189.11221	1.2
200.66801	0.5
215.14331	1.1
233.15396	1.5
237.14793	0.8
242.48665	0.5
245.94934	0.5
251.07921	0.5
253.15886	3.2
255.15941	0.8
271.16916	4.4
272.17053	0.7
289.17960	8.3
291.19604	0.8
307.19086	6.2
325.20190	1.2
360.25220	0.7
361.16315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63611	5.6
52.69466	5.6
55.05506	52.8
57.03429	7.6
57.53747	5.9
59.04983	15.4
61.57838	5.7
67.05502	70.5
69.07068	76.3
71.04996	57.3
79.05492	76.8
81.03372	6.8
81.07068	52.7
83.08626	31.1
85.06532	6.3
91.05494	15.2
93.07048	75.9
95.04978	11.2
95.08609	37.1
97.06512	27.9
97.10165	30.8
98.23453	13.1
104.99269	9.9
105.07024	23.9
107.08598	52.8
109.06506	8.4
109.10157	56.6
118.14043	6.2
119.08582	16.9
121.10139	73.9
125.09643	36.4
130.27153	7.2
131.08568	10.3
133.10100	15.8
135.11665	7.3
145.10057	9.6
153.12750	49.1
155.10701	19.2
161.13248	8.6
169.48091	6.4
173.11765	100.0
173.13179	7.2
184.31250	6.4
189.11223	36.6
222.58524	6.5
255.62454	6.8
275.20114	44.2
278.95676	7.6
360.22202	8.8
361.19595	11.5
361.23438	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.9
55.05516	38.1
55.44464	3.0
57.03442	4.1
59.04993	4.5
62.87321	3.1
65.03917	3.5
67.05506	82.2
67.05862	5.1
67.85135	3.5
69.07070	39.5
69.14260	15.9
69.14666	7.5
71.04994	89.9
71.27338	3.5
72.05342	3.5
72.40161	3.5
73.06564	3.7
77.03932	3.4
79.05045	5.4
79.05492	73.1
81.07065	45.8
83.08607	25.5
85.06543	6.4
87.08102	7.3
91.05491	26.5
93.07047	91.6
95.05009	5.0
95.08612	33.8
97.06527	16.6
97.10177	27.1
97.42025	3.8
98.22715	8.6
105.07029	19.7
107.04910	4.6
107.08598	56.7
109.06529	5.8
109.10152	54.0
110.10470	4.0
111.08088	7.6
117.07017	7.7
119.00580	3.1
119.08622	18.7
121.10145	83.9
121.49046	3.9
123.08035	3.8
123.11710	7.1
125.09607	19.2
131.08577	8.3
133.10141	14.1
135.08090	5.7
135.11688	7.0
137.09601	7.3
145.10143	7.9
147.11684	11.9
149.09610	8.2
149.13293	5.7
153.12764	53.2
155.10677	30.3
159.11751	8.4
173.11740	100.0
173.13217	6.6
174.12041	3.8
177.12828	4.7
179.14435	3.7
189.11192	26.0
190.14355	4.0
195.13770	7.5
217.15904	5.2
227.16463	17.6
235.16924	11.3
245.92632	3.6
257.19009	3.7
267.19565	3.7
275.20071	56.6
305.78177	3.3
307.22583	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	360.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	33.3
57.03434	4.6
59.04992	6.9
67.05167	4.4
67.05505	79.6
68.46194	3.7
69.07067	37.6
69.94392	11.8
70.07048	3.9
71.04633	5.9
71.04996	75.4
71.29958	3.5
73.06550	5.6
77.24226	4.0
79.05487	80.0
81.07066	34.7
83.04980	4.4
83.08618	21.1
85.06569	4.1
87.08088	4.7
91.05492	24.6
93.07043	73.4
95.04975	5.0
95.08600	31.6
97.06516	13.7
97.10177	33.4
101.91315	4.1
104.99302	4.8
105.07034	27.4
107.08593	58.3
109.10162	61.5
111.08086	7.6
117.07022	5.9
119.08570	14.8
121.10142	59.9
123.08089	5.7
123.11666	4.2
125.09640	28.7
125.69899	3.5
131.08563	6.2
133.10118	9.6
135.11671	6.2
137.09561	5.1
145.10124	8.4
147.11696	8.4
149.09567	6.2
153.12730	60.4
155.10643	23.0
161.13318	7.7
171.11885	4.0
173.11742	100.0
173.13249	5.9
174.12195	5.9
177.12677	4.6
189.11209	30.5
192.61407	3.9
257.19141	5.3
275.20056	60.7
279.18686	4.0
293.21054	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	12.2
55.05513	78.9
57.03423	13.3
57.06006	6.1
57.07073	11.7
57.90558	6.1
67.05506	100.0
69.03432	6.7
69.07076	32.4
69.90462	16.0
69.90793	5.0
70.89919	5.5
71.05003	24.1
71.08630	29.5
76.42262	6.2
79.05495	49.2
81.03423	8.6
81.07068	64.7
83.04983	17.9
83.08622	66.8
85.02935	7.7
85.06534	11.3
87.04493	7.6
91.05480	38.0
93.07048	76.3
95.04970	22.8
95.08602	82.2
97.06523	14.7
97.10158	39.1
99.08096	19.7
104.99302	6.3
105.03386	7.3
105.07025	18.2
107.08595	38.3
109.10171	61.0
111.04430	6.6
115.11222	14.5
117.07052	7.9
119.08542	28.8
121.10153	51.8
123.11674	12.6
125.06034	7.5
125.09639	45.4
131.08572	21.4
133.10095	16.5
135.08078	6.9
135.11661	10.1
137.09651	35.0
139.11217	46.7
139.20497	6.8
147.11697	10.5
149.09644	18.6
151.11203	23.2
155.10677	20.6
157.10260	6.1
163.11172	10.7
164.67270	5.6
166.78656	6.0
167.10632	14.7
169.12186	5.8
173.11749	63.4
177.12737	15.1
179.10808	8.4
187.11302	8.5
187.13295	21.3
191.48044	5.6
199.13239	42.7
217.14305	8.6
225.15077	6.3
257.18930	6.7
275.20035	45.7
293.21130	81.2
307.22720	26.3
325.23734	95.2
326.23813	9.4
360.21848	18.2
360.25375	22.6
360.34442	6.9
361.19855	10.8
361.23840	6.7
361.28824	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	360.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.6
55.05514	6.8
57.07064	1.8
67.05502	3.8
69.07067	3.6
70.06595	35.6
70.80046	0.9
71.08624	4.1
71.46029	0.9
72.08155	100.0
73.08493	1.4
79.05491	3.2
81.07068	5.6
85.06571	1.2
91.05495	2.7
93.07050	4.8
95.04957	5.5
95.08610	4.6
97.06527	2.2
98.06047	25.0
104.99241	1.6
105.07056	3.1
107.08607	4.1
109.06492	6.9
109.10208	2.3
119.08566	2.6
121.06538	1.7
121.10168	2.3
125.05912	1.4
126.09194	1.3
131.08553	1.4
133.10117	2.5
135.08029	1.6
140.10695	5.3
144.43037	1.0
145.10133	1.8
149.13208	2.4
154.12256	2.1
165.12752	35.4
168.13824	1.6
173.13286	2.0
191.14386	1.7
194.95222	1.5
208.17023	4.3
238.18071	4.3
246.18570	5.4
262.21643	16.1
271.20602	1.5
289.21432	1.7
304.23483	1.1
317.31796	1.2
342.27948	5.2
360.25229	2.9
360.29037	36.2
360.34067	2.6
361.23727	8.0
361.28967	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	361.0319
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80800	4.0
98.52835	4.6
98.97583	28.9
98.98484	6.3
101.00864	21.2
103.34541	4.4
105.03422	8.0
116.98618	14.0
119.01924	61.3
137.02916	11.3
159.33397	4.0
174.97609	5.4
177.00993	11.1
192.98788	6.6
212.92265	7.1
216.98724	19.8
217.98735	4.5
219.01984	22.6
219.03908	5.0
221.01817	5.2
230.93336	8.3
234.99655	25.0
240.98972	8.5
243.02013	5.0
249.02444	84.0
254.93402	12.0
256.96643	8.7
257.96729	11.9
258.96460	13.2
259.00067	29.9
261.00275	7.3
261.03058	51.2
262.03244	17.4
263.02939	6.5
267.03510	100.0
268.03641	7.3
272.94354	35.7
274.97720	6.1
276.97726	8.0
277.01068	20.7
280.98331	7.2
281.98141	4.8
283.00003	41.4
284.00183	6.5
290.95438	12.8
294.94946	6.6
295.95282	8.2
298.97708	8.9
300.97534	13.0
301.01025	45.2
301.09641	4.9
302.01276	9.3
303.00735	7.3
305.08734	17.8
314.95364	15.5
316.98715	11.7
318.94717	22.1
318.98584	18.5
319.01965	7.0
323.09705	13.6
325.01053	7.5
336.95724	13.9
342.98532	9.6
343.02121	35.1
354.93805	6.3
356.96683	19.1
360.99493	27.4
361.03336	10.4
361.14920	9.5
378.99945	6.8
379.16052	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	361.1131
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
50.89611	1.6
51.02372	1.7
55.01868	2.3
65.03922	2.4
67.05491	2.8
69.03401	2.0
71.44701	1.7
72.46156	1.7
79.05483	6.3
81.07008	2.5
85.02907	6.0
86.09687	2.2
91.05478	4.2
93.07038	11.4
95.04969	28.7
97.02890	2.6
98.97558	2.1
98.98466	5.2
104.99252	4.9
105.04530	4.8
120.96671	2.6
121.02900	1.9
121.06506	14.6
123.04435	17.3
123.08047	5.4
125.02375	9.1
128.98579	1.8
139.07512	8.8
140.04683	100.0
141.05037	3.5
141.56711	1.8
147.04466	2.2
149.05998	6.0
155.07027	47.3
167.07036	66.0
168.07437	3.0
171.94063	1.8
173.08124	4.8
176.33170	2.0
181.04930	7.5
185.08144	3.6
199.06017	77.6
199.09633	23.0
200.06329	2.6
208.23778	1.8
227.15443	1.8
232.67183	1.8
278.95456	2.9
315.24445	1.9
361.14297	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88149	1.1
60.02834	0.9
67.85849	0.9
69.03425	1.2
72.08147	1.3
84.08092	1.3
85.02896	2.5
86.09711	1.4
87.04456	1.4
91.05486	1.0
93.07047	1.0
95.04952	1.5
97.02842	1.0
98.97587	1.2
98.98453	2.5
105.07051	1.0
109.03632	1.0
116.20860	0.9
119.04915	0.9
123.04411	1.9
131.04942	1.1
137.05936	2.7
139.37102	0.9
154.26845	0.9
155.06953	1.1
165.09056	0.9
167.07010	1.6
179.07095	0.8
181.04984	1.7
181.08406	1.8
181.12204	0.9
183.06546	1.3
185.04250	1.1
190.76411	0.9
199.09358	4.3
203.05284	1.7
207.06639	1.3
213.77037	1.0
224.93576	1.4
240.08838	4.4
299.14648	1.8
315.14117	4.5
329.11288	1.6
343.09601	1.0
344.14874	4.2
361.14618	100.0
361.18399	13.3
362.15143	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	361.1494
Annotation	Junipediol A 8-glucoside
Peak:m/z	Relative Intensity
65.03928	1.7
67.05520	5.3
69.03419	2.7
71.26220	1.3
72.14613	1.0
79.05492	12.4
81.07050	3.8
82.44691	1.1
85.02905	1.7
86.09711	3.9
91.05485	18.6
93.07040	3.0
97.02914	1.9
97.06518	3.1
99.04462	2.7
105.07030	7.2
107.04979	2.0
107.08595	54.9
108.08946	1.5
109.06525	3.9
109.10150	4.5
111.04441	1.2
115.05466	6.7
117.07030	9.9
119.06051	3.9
125.09619	5.1
135.08055	100.0
136.08397	4.4
153.09097	4.1
155.10692	1.6
156.62225	1.0
159.04428	1.1
163.07547	98.5
164.07906	3.6
173.11771	3.0
181.08601	35.5
182.08900	1.2
199.09657	6.6
201.12531	2.8
202.12756	2.1
206.72682	1.1
243.02890	2.6
261.03949	1.6
274.85776	1.1
308.11087	1.1
333.07718	1.3
360.75583	2.5
361.07013	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	361.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10265	0.9
54.70256	0.9
55.01868	1.6
55.05515	0.8
61.02915	1.4
67.05499	1.8
69.03442	2.8
73.51545	0.8
79.05486	8.5
81.07064	2.4
85.02909	4.9
91.05465	5.2
93.07053	15.4
95.04980	4.0
95.08622	0.9
97.02898	1.6
97.06513	1.2
98.97554	1.1
98.98466	1.9
103.05482	1.7
104.99275	0.9
105.04518	1.1
111.08119	1.1
115.28618	0.9
121.06512	19.7
123.04452	3.2
123.08070	8.0
129.10228	1.0
131.04909	1.5
139.07545	15.0
140.04686	5.4
145.04968	1.2
147.04463	0.9
148.32393	0.9
149.05969	6.9
155.07025	1.9
165.05431	0.9
167.07036	100.0
168.07390	4.2
185.08052	2.3
199.06097	4.5
199.09651	30.0
234.99672	0.9
257.76242	0.9
269.72162	0.9
278.95529	2.5
361.14587	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	1.2
67.78283	0.6
68.99777	1.4
89.32520	0.6
104.99280	5.0
110.67408	0.8
129.01825	6.6
157.01317	0.7
183.88547	0.7
184.27940	0.7
185.08090	4.1
208.11873	0.7
278.95584	1.3
361.23480	100.0
362.23859	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	361.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36475	1.3
70.06600	3.1
88.07641	2.6
98.23426	3.6
104.99287	2.0
125.05817	2.7
132.10217	4.8
135.26721	1.2
199.58049	1.2
245.15140	6.9
256.26505	3.8
278.95386	1.6
300.29074	9.0
329.20837	2.3
361.19016	22.7
361.23511	100.0
362.19699	2.7
362.23596	8.4
362.32657	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98997	1.9
53.03959	2.7
54.35606	2.5
55.05511	6.9
57.07079	10.6
65.11209	2.1
67.05508	14.7
68.99799	12.1
69.03423	4.6
69.07094	11.8
71.46515	3.0
78.03237	2.1
79.05495	19.6
81.07071	19.2
83.04978	2.8
87.00806	3.1
89.06033	4.6
91.05483	34.3
93.07056	33.4
95.04973	36.7
95.08600	12.0
97.06539	12.3
97.10203	2.3
99.04430	2.2
103.05479	2.5
104.99265	4.4
105.04528	3.2
105.07033	64.0
107.08608	20.5
109.06513	6.0
109.10150	6.7
111.00806	5.7
111.11774	2.9
115.05452	4.3
117.07011	11.1
119.08590	51.1
120.08935	2.7
121.06528	4.8
121.10165	16.5
128.06223	5.4
129.01839	100.0
129.07011	9.3
130.07784	6.0
131.08580	32.9
133.10132	53.2
135.08087	2.9
135.11678	9.9
139.00276	7.0
141.06984	3.6
142.07800	11.2
143.08557	22.1
144.09302	5.6
145.10129	43.2
146.10547	2.2
147.11664	10.4
149.09694	3.1
155.08556	9.0
156.09369	7.0
157.01302	5.5
157.10146	23.3
158.10921	10.9
159.11697	16.4
161.09621	7.0
161.13289	3.2
165.07005	3.0
167.08624	5.8
169.10074	11.6
170.10907	4.5
171.11691	10.1
173.09555	3.7
173.13268	27.4
175.11275	3.5
175.14854	9.3
179.08502	5.0
181.10109	5.3
183.11787	4.6
184.12320	2.5
185.08099	59.6
185.09708	4.6
185.13264	5.7
187.14809	13.5
193.10062	4.5
194.10887	2.2
195.11755	4.5
196.12457	2.5
197.13300	5.9
199.14873	11.0
201.16373	2.4
206.10936	6.1
207.11792	4.8
208.12447	2.9
209.13231	6.9
211.14870	8.5
221.13310	5.6
223.14842	4.2
251.17979	3.0
252.18698	2.4
259.15253	4.7
263.17892	2.4
265.19461	3.3
266.20419	3.0
278.95590	3.6
281.19003	2.7
360.37631	5.2
361.23309	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01871	1.2
57.03423	3.2
58.34657	0.7
60.04515	0.8
61.02925	4.4
69.03424	9.0
69.35561	3.4
71.04990	1.3
72.08137	1.5
73.02895	1.5
81.03409	4.0
85.02904	40.9
86.03268	1.2
87.04477	1.2
90.38890	0.7
91.03977	2.2
91.05516	0.7
97.02338	1.3
97.02898	11.3
99.04440	1.9
101.46902	0.9
105.07015	1.1
107.08630	1.0
107.28740	0.8
108.02052	0.7
109.02893	3.8
115.03901	0.8
119.04940	0.8
123.04427	100.0
124.04764	2.4
127.03911	7.9
137.05975	7.8
137.09596	0.9
145.04953	14.2
147.08208	0.7
161.05956	1.1
163.05983	1.5
165.05473	85.2
166.05824	2.9
166.10210	0.7
167.07060	2.3
180.08678	6.6
183.06523	17.5
183.10161	1.0
184.06757	0.9
200.09236	2.0
231.06512	1.4
240.75076	0.8
249.07585	1.1
321.11377	0.8
362.14877	0.8
362.19287	1.0
363.11597	1.3
363.16174	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	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
57.03436	2.9
60.50564	0.8
61.02931	4.1
64.65907	0.7
68.11634	0.7
69.03429	8.7
69.89468	2.6
71.04971	0.9
72.08163	0.8
73.02921	2.0
81.03425	4.6
85.02908	40.6
87.04485	1.1
91.03962	2.1
97.02889	10.5
98.22682	0.9
98.98495	1.2
99.04462	1.9
104.99268	0.8
109.02864	2.5
123.04432	100.0
124.04774	3.1
127.03907	7.8
137.05991	5.2
145.04959	11.6
156.07991	1.0
165.05482	84.4
166.05838	3.6
180.08699	4.3
183.06531	17.2
199.68866	0.8
200.09198	2.0
217.99161	1.5
231.06361	0.8
249.07573	1.3
278.95255	0.8
297.24796	0.8
362.15192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04532	4.1
65.03934	0.7
71.45460	0.8
79.05486	1.9
81.07048	0.8
85.02902	1.3
89.72987	0.6
90.04685	0.7
91.05477	5.8
93.07042	0.7
95.04929	0.9
95.08615	0.9
99.94776	0.6
103.05462	6.4
104.06270	3.3
105.07045	1.6
107.04951	2.7
114.04642	1.4
115.05431	1.1
117.03352	0.9
117.07027	1.3
118.04140	2.7
119.04955	2.9
119.08552	0.6
120.05787	0.6
120.08068	0.8
121.06481	1.4
123.04449	2.2
128.27010	0.6
130.04149	2.0
131.04926	30.3
132.05713	33.3
133.02831	2.2
133.06447	2.7
135.04420	4.0
137.05968	3.6
143.04892	0.9
145.06508	1.2
147.04402	3.3
148.05180	3.1
149.02307	1.0
149.05966	3.7
151.07594	1.0
159.04431	0.7
160.05199	18.0
161.05986	5.9
163.07538	5.1
164.04683	1.6
165.05484	3.1
165.09126	1.4
167.07045	5.5
168.07445	0.6
173.05956	2.1
176.04680	2.5
177.05489	15.5
179.07025	8.6
180.07828	9.4
181.08559	0.8
183.10156	1.3
189.05492	0.9
191.07027	51.9
192.07806	100.0
193.08170	4.6
205.08571	3.1
207.06509	1.7
216.42760	0.7
220.90108	0.6
223.07480	1.0
228.06612	0.8
235.07494	1.1
255.10193	0.8
267.10126	0.8
271.13278	1.8
283.09601	0.8
295.09637	3.8
299.12808	0.7
313.10455	0.7
315.12277	7.5
316.12582	0.9
327.12244	50.2
328.12570	3.6
329.25143	0.8
330.10504	0.7
344.24298	2.9
345.09335	1.0
345.13318	22.6
346.13763	1.6
362.16132	7.2
362.24942	3.5
363.10385	14.1
363.14301	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.2
58.54873	1.2
59.12223	1.1
70.27458	1.2
70.69804	1.4
79.05482	3.1
85.62583	1.5
91.05480	12.8
93.07037	2.0
103.05463	7.8
104.06237	3.2
105.07034	3.9
107.04947	9.7
114.04691	1.6
115.05436	2.6
117.03385	1.6
117.07056	2.2
118.04144	2.4
119.04932	5.9
119.81518	1.1
121.06518	4.0
123.04436	4.2
123.23257	1.5
130.04121	1.5
131.04919	29.5
132.05714	35.9
133.02866	6.3
133.06476	8.1
135.04427	12.9
137.02402	1.4
137.06007	6.4
138.53654	1.2
143.04872	1.4
145.06514	2.9
147.04439	6.5
148.05197	4.5
149.02306	1.8
149.05974	6.3
151.07573	3.5
153.05507	2.2
160.03975	2.0
160.05196	18.9
161.05975	22.9
162.06543	1.7
163.03868	1.5
163.07527	5.9
164.04610	5.5
165.05472	13.4
165.06827	1.6
165.73593	1.1
166.05901	1.6
167.07037	10.9
173.05980	6.4
176.04726	4.4
177.05479	17.2
178.07700	1.9
178.87361	1.2
179.07024	23.9
180.07816	36.9
180.09250	1.5
181.08473	3.8
183.10176	1.6
191.04466	1.5
191.07027	65.8
192.07802	100.0
193.08345	3.7
195.08167	1.7
205.08589	5.0
207.06456	2.3
207.08202	1.8
237.09102	1.9
255.09995	1.2
265.08710	2.5
267.10144	2.4
269.08279	1.2
271.13412	1.5
272.10141	1.3
283.09665	3.1
284.10260	1.6
285.11057	1.2
295.09698	6.7
297.11166	1.5
312.09796	1.4
315.12283	27.7
316.12460	2.1
327.12234	40.7
328.12741	2.8
336.71524	1.3
345.13318	77.1
346.13712	6.9
362.15985	12.7
363.16251	1.8
373.37469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	4.5
59.01294	3.2
67.05495	5.2
69.03424	9.6
69.35907	17.8
72.08150	7.7
79.05499	8.3
85.02904	13.8
86.09712	10.8
89.06968	3.7
91.05457	18.2
93.07045	64.0
95.04976	10.2
95.08612	5.2
97.02898	63.9
105.07036	5.5
107.04956	3.5
107.08591	34.1
108.08130	4.0
109.10155	7.2
117.07030	4.1
119.08590	89.0
121.10146	21.8
123.04446	6.7
136.07576	45.2
137.05971	7.7
137.09683	5.6
138.09117	3.6
139.92467	3.1
145.02841	4.4
145.04883	3.8
147.04289	3.2
147.08049	74.6
155.26666	3.5
164.07101	28.3
165.09105	100.0
177.05525	5.4
182.08134	61.9
183.08516	4.9
183.10158	74.0
184.62323	3.4
216.74242	3.9
279.17160	7.4
360.85150	4.2
362.06842	7.6
362.14600	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	362.2326
Annotation	Tricalysiamide C
Peak:m/z	Relative Intensity
55.05507	0.3
56.05040	0.4
60.04490	0.3
62.06067	0.4
63.32362	0.3
64.98361	0.3
67.05492	0.6
69.07046	0.4
72.04519	0.9
74.06062	0.8
79.05481	1.2
81.07047	1.2
84.37569	0.3
91.05479	1.2
93.07027	1.2
95.08612	0.8
97.06571	0.3
98.06046	0.7
98.23437	0.6
105.07023	1.4
107.08591	1.0
109.10124	0.5
117.07012	1.3
119.08555	1.1
121.10146	1.2
122.09638	0.6
128.06155	0.3
129.07024	0.7
131.08571	0.9
133.10139	0.5
136.11234	0.4
141.06943	0.4
143.08553	1.0
145.10109	0.7
147.11734	0.5
154.37878	0.3
155.08527	0.5
157.10126	1.0
167.08429	0.4
169.10126	0.6
171.11594	0.4
195.11693	0.6
204.13947	0.3
207.06502	0.3
209.13269	0.8
211.14774	0.5
213.16377	0.4
222.14928	2.6
237.16185	0.5
255.17471	0.4
268.59518	0.3
298.21640	0.4
316.19208	0.5
316.22708	1.2
320.07657	0.3
344.18472	0.5
344.22214	0.7
344.25858	0.4
362.23245	100.0
363.23611	8.0
363.27618	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	362.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	50.9
57.03429	21.4
67.05505	78.8
69.03402	9.7
69.07074	100.0
69.61998	16.7
69.62384	15.5
71.04986	14.4
76.85448	7.2
79.05497	61.1
81.03427	17.8
81.07049	41.3
83.04990	62.8
83.08633	19.4
85.02905	6.8
85.06524	9.5
91.05476	35.6
93.07040	39.6
95.04961	25.8
95.08599	30.7
97.06551	19.4
97.10172	20.7
104.99307	9.3
105.07030	19.2
107.08598	39.5
109.06509	15.9
109.10151	48.6
111.08115	11.7
119.08578	21.9
121.06458	15.2
121.10154	23.4
123.08065	23.8
125.09652	27.1
129.07004	8.2
131.08536	8.8
133.10112	13.7
135.08070	15.1
135.11751	8.2
137.09637	50.9
141.09114	8.7
145.10097	10.1
149.09569	9.9
155.10712	19.1
159.11676	6.9
161.09581	11.2
171.10164	12.3
173.11780	26.7
189.11244	23.7
221.15359	10.2
223.13310	31.8
233.15228	8.8
273.18478	26.2
291.19562	65.1
309.20581	19.2
362.19611	14.0
363.17847	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	362.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	43.1
56.24039	11.4
63.36886	12.8
67.05504	75.6
69.07069	82.8
71.05002	28.6
71.46127	13.6
74.06097	15.2
79.05502	48.6
79.81068	12.8
81.03431	31.7
81.07060	100.0
83.04994	33.8
83.08633	25.8
90.51035	11.2
91.05475	38.1
93.07055	76.0
95.04972	41.6
95.08606	53.1
97.06543	50.0
97.10164	26.7
99.08100	19.7
105.07027	46.5
107.08620	33.9
109.06549	37.4
109.10174	25.6
111.08102	12.2
113.00967	12.0
115.07572	15.5
119.08591	20.2
121.06511	22.3
121.10157	24.7
125.09671	30.0
131.08568	19.4
133.10075	15.7
135.08089	20.8
137.09641	20.7
145.10118	22.1
147.11700	13.2
149.09608	16.1
157.10123	15.2
158.47269	13.9
165.12614	14.3
174.80336	13.5
187.14925	12.1
189.11273	19.3
195.13853	27.1
213.14821	16.4
223.13313	28.3
233.15485	17.3
251.16257	16.5
273.18701	17.4
291.19577	89.7
309.20804	20.2
363.10751	19.2
363.17612	35.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2666
Annotation	U-75302
Peak:m/z	Relative Intensity
56.05016	1.7
57.07074	2.4
58.06600	3.6
67.05503	1.2
70.08857	1.9
71.08614	0.8
72.08151	1.8
74.06085	2.4
81.07032	0.7
81.42235	0.7
86.06071	1.6
88.07635	13.6
89.40855	0.7
91.05489	0.8
98.60264	0.8
104.07092	1.9
110.45205	0.9
124.62103	0.8
132.10229	4.1
138.95534	0.8
143.32266	0.9
162.11305	1.2
166.10794	1.9
201.47371	0.8
256.26270	1.2
270.27914	10.2
271.28253	1.3
284.32556	0.8
314.30527	4.6
342.24854	0.7
362.19998	11.5
362.26633	100.0
362.32590	45.6
363.21307	11.7
363.26978	8.5
363.32736	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2692
Annotation	N-arachidonylglycine
Peak:m/z	Relative Intensity
55.05514	3.4
56.05041	16.0
60.04551	1.1
62.06105	2.6
63.63399	0.9
67.05507	4.3
69.07083	2.8
69.39533	4.8
70.06600	13.8
72.08157	1.8
74.06084	76.7
75.06447	1.8
77.03974	1.1
79.05511	3.8
79.93035	1.2
81.07043	6.8
82.28141	1.0
86.09736	1.7
88.07635	65.4
89.08002	1.3
91.05479	3.5
93.07051	7.1
94.06562	1.9
94.69004	0.9
95.08614	7.4
96.08128	2.0
100.07625	12.6
105.07020	5.9
105.90132	1.0
107.08604	4.7
109.10172	3.6
114.09168	13.7
117.07030	2.4
119.08593	6.9
121.10147	2.8
123.11702	2.3
128.10759	1.9
129.07037	2.5
131.08571	5.8
133.10147	3.9
135.11694	1.4
143.08574	2.1
145.10207	5.2
147.11737	1.7
154.12286	1.5
157.10159	3.7
159.11728	4.2
161.13316	3.3
171.11719	2.9
173.13268	4.8
185.13257	2.1
199.14862	4.1
200.15564	1.4
201.16377	1.4
249.69144	1.2
255.21111	8.9
256.21481	1.3
316.26355	100.0
317.26715	8.8
362.26907	71.8
363.19080	27.0
363.27078	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20254	3.1
54.04176	3.1
55.05503	23.8
57.07080	12.6
59.04989	3.8
67.05508	59.5
68.05856	3.5
69.03421	4.0
69.07066	7.1
70.06583	21.7
70.89281	5.7
71.04993	100.0
71.08611	14.4
79.05495	11.3
79.26749	2.7
81.07054	52.8
83.04989	3.0
83.08625	19.3
88.07635	19.8
91.05482	8.5
93.07061	5.1
95.08611	11.1
97.10168	19.3
99.08103	9.5
101.20969	3.0
102.09190	6.0
104.35709	3.0
104.99313	3.2
105.07026	5.3
107.08611	7.7
107.66679	2.7
109.10152	42.5
114.09185	4.9
119.08601	6.8
121.10179	3.3
123.11697	16.5
125.09665	15.7
132.10197	25.2
133.10164	3.8
133.21979	3.0
151.11192	5.8
155.10704	16.6
155.14307	83.8
155.86151	2.7
160.56378	3.0
161.13164	4.3
163.11226	4.2
173.11737	89.0
174.12091	4.2
176.12784	4.2
179.14302	3.2
189.11232	26.1
241.19693	3.8
256.26376	25.7
267.98096	3.2
274.27432	4.2
277.21609	24.9
300.26968	5.0
318.30081	4.4
362.32928	90.9
363.17584	3.6
363.32703	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	362.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.5
57.03428	3.8
57.07084	7.8
58.06602	3.6
67.05511	26.3
68.02422	1.4
69.07082	3.6
69.33161	6.6
70.06593	22.6
71.04995	42.4
71.08633	9.3
76.55893	1.2
79.05496	6.4
81.07060	24.1
83.04974	2.5
83.08627	6.4
85.06564	1.4
88.07633	26.7
89.06029	1.5
91.05497	5.0
93.07053	6.1
95.08632	6.6
97.10168	11.2
99.08112	3.5
102.09165	13.4
105.07053	2.7
107.08601	5.9
109.06503	2.0
109.10155	12.6
111.08110	2.0
114.09169	2.7
117.07049	1.8
118.53672	1.5
119.08598	2.9
123.11706	4.6
125.09644	9.3
131.08554	2.4
132.10226	7.1
133.10144	1.6
135.08060	1.4
135.11746	3.0
147.11745	1.7
151.11253	3.6
155.10751	5.7
155.14319	31.4
159.11723	1.8
161.13293	1.5
173.11732	30.8
174.12025	1.2
179.14368	2.4
189.11209	12.7
195.13889	2.1
227.16429	7.9
233.15396	1.7
256.26376	54.1
257.26749	3.2
259.20529	1.3
271.16937	1.5
277.21597	10.8
278.22205	1.7
289.18021	2.7
291.19333	1.5
295.22797	1.6
344.31726	2.2
362.32736	100.0
363.21548	10.5
363.33029	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	362.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05510	3.4
57.06819	0.7
57.07078	6.8
58.06595	2.0
61.58900	0.6
67.05509	8.6
69.07056	1.2
69.19032	1.1
69.19431	2.8
70.06593	20.0
71.04996	13.6
71.08633	4.5
72.08141	2.9
79.05477	1.2
81.07059	7.1
83.04978	0.7
83.08624	2.1
84.08161	2.2
85.10190	0.9
86.09709	2.7
88.07637	9.1
89.03596	0.6
91.05474	1.1
93.07063	1.4
95.08615	2.0
97.10175	2.2
98.23514	1.3
99.08098	1.5
102.09200	4.3
105.07013	0.8
107.08612	1.8
109.10160	5.9
111.04434	0.5
112.25570	0.5
113.37366	0.5
119.08595	0.8
123.11706	2.1
125.09620	1.9
132.10199	7.5
135.11678	0.9
146.11768	7.4
149.13301	0.6
151.11200	1.6
155.10641	2.8
155.14296	8.4
161.13231	0.8
163.11232	0.7
173.11749	9.7
187.13426	0.7
189.11293	2.8
195.13852	0.9
203.12691	0.7
212.23798	1.7
217.28812	0.6
238.25333	1.8
256.26352	17.3
257.26761	1.0
277.21689	3.4
300.28976	31.7
301.29257	2.5
344.31598	1.0
358.64453	0.7
362.32654	100.0
363.21680	1.4
363.32999	8.3
380.33063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	3.4
55.05490	5.4
57.07079	49.0
58.06577	1.3
67.05497	10.1
69.07068	16.6
69.10742	1.1
69.24837	7.0
71.04964	1.3
71.08638	6.9
72.08154	13.1
74.09720	100.0
75.10063	1.7
79.05467	4.9
81.07057	11.3
83.04942	1.5
83.08623	2.5
85.06519	3.2
86.06050	2.2
88.07584	4.7
91.05446	3.9
93.07053	11.4
95.04964	14.3
95.08605	16.7
97.06502	4.3
97.10125	1.5
99.08048	4.8
100.07587	1.3
104.99276	1.2
105.07012	8.2
107.08572	8.8
108.23244	1.1
109.05879	1.6
109.06524	22.7
109.10165	6.6
111.11659	1.5
117.06969	2.6
119.08591	7.6
121.06449	4.5
121.10125	2.8
123.08099	2.4
123.11676	1.8
131.08560	6.3
133.10123	7.1
135.08017	2.6
137.09581	1.8
138.12695	2.4
142.12270	6.9
145.10086	3.2
147.11621	2.6
149.13196	3.6
156.13766	5.0
159.11615	1.3
163.11098	1.6
165.12755	88.6
165.52917	1.4
166.13145	2.4
170.15355	1.7
171.11528	1.3
173.13254	5.9
175.11174	2.5
179.14203	1.8
183.11703	1.8
184.13330	7.6
191.14294	9.7
198.97281	1.5
201.12675	4.7
208.16968	2.2
210.16833	1.2
210.18532	10.6
212.16461	1.4
229.19444	2.8
240.19461	4.5
248.20094	7.0
253.19534	2.0
258.69092	1.2
261.18353	3.3
264.23230	24.5
270.27902	2.9
271.20599	7.4
272.20828	1.7
289.21600	9.5
291.23001	1.4
298.13821	1.5
306.24026	1.7
330.77225	1.4
344.29562	6.1
361.78986	2.6
362.17899	1.5
362.23245	4.1
362.30301	68.1
363.19174	13.3
363.30713	6.4
375.72253	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12917	0.8
69.63992	2.4
69.64380	1.5
81.07039	1.3
93.07055	2.8
98.23418	1.0
121.10144	3.9
131.32559	0.8
148.70227	0.9
149.09628	2.4
162.88402	0.9
167.07007	1.2
167.10692	1.9
236.87376	0.9
310.24072	1.1
363.14163	100.0
364.14471	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	363.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.0
55.05521	13.6
56.96569	14.6
57.03445	26.2
67.05510	27.8
69.03431	4.5
69.07068	9.1
71.04994	4.1
77.44563	2.6
79.05512	22.2
81.03439	3.3
81.07059	20.6
82.14679	2.8
83.04987	13.3
83.08624	7.0
91.05496	19.2
93.07057	22.0
95.04987	11.9
95.08617	14.2
97.06550	3.4
97.10192	7.5
98.98535	3.0
104.99263	6.3
105.07041	14.0
107.04967	20.7
107.08605	12.3
109.06535	18.0
109.10151	6.2
111.04498	3.2
111.08108	4.3
117.07026	7.7
119.08578	14.4
121.06524	12.7
121.10146	7.9
123.08092	5.4
125.09609	4.9
129.07013	6.3
131.08597	12.0
133.06508	7.1
133.10147	6.2
135.08041	15.6
139.11171	3.3
143.08591	3.5
145.06541	3.0
145.10110	5.1
147.08087	6.9
147.11739	4.1
149.05998	15.2
149.09607	4.8
154.63393	2.5
155.08534	3.8
159.08080	18.8
161.09648	7.0
161.18826	2.5
163.07579	9.0
163.11226	2.7
169.10176	4.4
171.03256	3.1
171.11823	3.7
173.09628	5.9
175.11263	4.6
177.09201	4.2
187.11221	3.7
189.11261	4.1
189.12813	4.5
191.10800	2.9
203.05843	3.9
213.07924	4.8
215.14343	8.3
229.07532	4.9
231.09181	4.6
233.15393	69.4
234.15804	3.4
235.09558	2.7
241.07570	7.5
243.09119	11.5
247.08351	3.1
253.16029	4.7
261.10056	4.7
261.18494	4.3
271.16949	12.9
289.18021	33.6
293.21185	5.9
309.09970	3.3
345.13538	12.9
363.18341	100.0
363.21838	30.7
364.18109	4.2
381.15829	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	363.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57817	7.1
67.05507	7.9
68.77609	7.5
69.07073	8.8
69.80223	19.1
79.05470	8.3
81.07034	10.6
83.48099	6.1
91.05490	16.6
93.07055	13.3
104.99294	13.8
105.07037	10.4
107.08588	13.8
157.73250	7.6
159.08014	6.6
193.50487	7.1
265.66666	7.1
273.09415	7.6
281.87262	6.9
363.17389	100.0
363.21677	34.8
364.28616	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	363.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	6.0
55.05521	13.6
56.96569	14.6
57.03445	26.2
67.05510	27.8
69.03431	4.5
69.07068	9.1
71.04994	4.1
77.44563	2.6
79.05512	22.2
81.03439	3.3
81.07059	20.6
82.14679	2.8
83.04987	13.3
83.08624	7.0
91.05496	19.2
93.07057	22.0
95.04987	11.9
95.08617	14.2
97.06550	3.4
97.10192	7.5
98.98535	3.0
104.99263	6.3
105.07041	14.0
107.04967	20.7
107.08605	12.3
109.06535	18.0
109.10151	6.2
111.04498	3.2
111.08108	4.3
117.07026	7.7
119.08578	14.4
121.06524	12.7
121.10146	7.9
123.08092	5.4
125.09609	4.9
129.07013	6.3
131.08597	12.0
133.06508	7.1
133.10147	6.2
135.08041	15.6
139.11171	3.3
143.08591	3.5
145.06541	3.0
145.10110	5.1
147.08087	6.9
147.11739	4.1
149.05998	15.2
149.09607	4.8
154.63393	2.5
155.08534	3.8
159.08080	18.8
161.09648	7.0
161.18826	2.5
163.07579	9.0
163.11226	2.7
169.10176	4.4
171.03256	3.1
171.11823	3.7
173.09628	5.9
175.11263	4.6
177.09201	4.2
187.11221	3.7
189.11261	4.1
189.12813	4.5
191.10800	2.9
203.05843	3.9
213.07924	4.8
215.14343	8.3
229.07532	4.9
231.09181	4.6
233.15393	69.4
234.15804	3.4
235.09558	2.7
241.07570	7.5
243.09119	11.5
247.08351	3.1
253.16029	4.7
261.10056	4.7
261.18494	4.3
271.16949	12.9
289.18021	33.6
293.21185	5.9
309.09970	3.3
345.13538	12.9
363.18341	100.0
363.21838	30.7
364.18109	4.2
381.15829	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	363.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.8
57.07076	43.1
57.89710	1.4
64.76218	1.3
66.70237	1.4
68.34933	1.5
69.07056	4.0
71.08632	30.9
71.47022	1.9
72.69318	1.3
73.06565	3.3
79.05489	1.9
81.07050	2.7
83.08619	3.1
84.16882	1.4
85.10180	16.9
89.06032	100.0
93.07037	1.6
95.08588	2.6
97.10187	3.1
99.11716	2.4
107.07082	6.9
109.06509	2.4
109.10223	1.8
119.08608	1.6
130.08626	2.4
133.08612	32.0
133.09615	2.4
133.10075	1.9
151.09706	3.9
169.19481	2.1
177.11234	7.2
195.12288	22.9
195.14035	2.0
209.11626	1.5
210.44023	1.4
230.58804	1.6
257.24734	2.0
271.11029	1.6
321.25043	1.8
345.27878	2.8
363.17014	49.0
363.21329	3.2
363.24979	10.8
363.30072	5.6
363.30945	5.4
364.17270	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	363.1778
Annotation	JWH 073 N-butanoic acid metabolite-d5
Peak:m/z	Relative Intensity
53.15211	0.7
57.92557	0.8
59.87638	0.8
70.33608	1.6
70.33942	0.8
81.07066	1.0
91.05441	0.9
93.07044	0.9
95.08585	1.3
104.99264	2.6
105.07034	1.5
109.10168	1.6
133.10143	1.0
146.37926	0.8
167.07057	1.2
276.30118	0.8
309.25876	0.9
312.78491	0.9
341.05035	1.0
363.17770	100.0
363.21060	4.1
364.18033	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	363.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.5
56.96551	0.4
67.05496	1.1
69.18278	0.9
69.18674	1.5
70.06606	0.5
71.05016	0.3
79.05492	0.6
81.07043	0.6
88.07642	0.6
91.05473	0.9
91.29652	0.4
93.07060	0.9
95.04963	0.5
95.08606	0.7
97.06503	0.4
102.09175	0.5
104.99272	0.7
105.07037	0.6
107.08617	0.7
109.10183	0.7
119.08617	0.7
121.10175	0.6
132.19534	0.5
145.10147	0.6
147.04384	3.0
147.08095	0.5
147.11739	0.4
151.07625	0.6
173.11755	0.8
191.07045	3.6
195.09972	0.4
198.99136	0.5
200.20125	1.9
223.09422	4.2
235.09352	0.7
265.10464	1.6
277.14124	8.1
345.16760	0.8
363.17798	100.0
364.18134	6.7
364.24918	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	363.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35729	0.8
58.60654	0.7
61.61777	0.7
67.05507	0.8
69.25808	4.4
70.06607	1.3
81.07047	1.0
104.94770	0.8
104.99264	2.4
105.07018	1.4
107.08615	1.1
109.10123	1.2
119.08604	0.9
123.08074	1.0
147.74509	0.8
177.47110	0.9
180.97847	1.0
269.12036	0.7
280.94943	0.9
286.26212	0.8
363.17761	100.0
364.18027	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	363.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.1
57.07073	1.3
59.48872	0.7
62.98258	1.9
66.90215	0.7
67.05491	2.1
69.07045	1.5
71.03263	0.7
74.09711	2.3
79.05497	1.0
81.07054	2.0
91.05479	0.9
93.07046	1.7
95.04930	1.0
95.08623	1.8
95.79022	0.8
104.77271	0.7
104.99255	1.2
105.07037	1.0
107.08594	1.0
109.06520	1.3
109.10130	0.8
120.12437	0.7
133.10239	0.9
151.03131	0.8
155.79291	0.7
165.12755	2.7
166.13095	2.0
169.02592	0.8
189.07663	0.7
201.20932	0.8
248.92699	0.6
265.23843	0.8
307.71683	0.6
363.19058	100.0
363.30780	2.1
364.19315	9.8
364.32056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.191
Annotation	Thr Asp Lys
Peak:m/z	Relative Intensity
62.98278	0.7
65.86427	0.3
67.05529	0.4
71.46242	0.3
77.96958	0.8
79.05478	0.4
81.07064	0.8
87.94061	0.3
88.71580	0.3
89.06040	0.4
93.07030	0.5
104.99269	0.7
105.07016	0.4
109.06505	0.3
111.01874	0.5
117.07009	0.4
137.63675	0.3
155.00761	0.6
169.02574	0.7
181.02374	0.7
183.03947	1.9
190.79356	0.4
197.05515	1.5
209.05617	0.4
211.07089	1.3
223.07033	0.5
228.78883	0.4
237.08582	0.6
251.10057	0.6
265.11755	5.1
279.13501	0.4
280.14099	0.8
281.14874	1.2
335.19809	0.4
363.19064	100.0
364.19397	10.0
381.20065	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10938	0.7
50.68188	0.7
55.05516	2.2
57.07081	17.6
62.26941	0.9
67.05505	2.8
69.07050	1.3
71.11545	0.9
72.08173	1.0
74.09722	2.8
79.05506	2.6
81.07059	3.2
83.96730	0.8
85.06551	11.6
88.07714	0.9
91.05493	1.5
93.07052	1.7
95.08643	2.0
104.99294	1.6
105.07029	2.2
107.08607	3.5
108.25598	0.8
109.06527	13.7
109.07242	1.4
119.08593	1.1
123.08104	3.4
131.08527	1.0
133.10138	1.3
135.08075	4.5
137.05980	0.9
149.05992	7.8
149.09657	1.3
151.07549	11.6
163.07498	1.5
163.11282	0.8
164.08334	0.8
165.12820	4.0
166.13072	1.9
177.09166	3.1
183.83093	0.8
193.12263	6.7
199.58969	0.9
261.18503	100.0
262.18805	6.6
279.19452	1.2
345.24127	2.1
363.19272	15.7
363.25281	3.4
363.31027	1.6
364.14578	1.6
364.19125	1.1
387.77362	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98259	32.6
65.72124	2.7
67.05499	5.3
69.07037	3.0
70.02601	2.2
71.46422	2.4
81.07048	6.9
91.05448	2.3
93.07041	3.2
95.08607	4.0
107.08556	2.8
147.26463	2.5
183.29826	2.3
262.03802	2.6
267.14575	2.7
305.24695	3.8
335.61612	2.5
363.19022	100.0
364.19382	8.7
364.32129	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	363.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.7
57.07072	55.9
62.61920	3.7
69.07072	6.6
71.08628	51.3
71.13187	4.5
81.07059	7.6
83.66594	4.2
85.10192	27.9
89.06030	100.0
92.67234	3.9
95.08607	8.6
101.50559	3.9
104.99286	12.6
107.07054	5.3
109.10255	3.9
121.10147	5.3
133.08617	35.0
151.09647	4.7
169.19431	5.0
177.11226	8.3
195.12285	32.8
261.18274	4.2
272.56897	4.0
294.92307	5.0
363.19846	20.2
363.24890	32.8
363.31305	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	363.2144
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
53.11029	0.4
57.07049	0.6
69.42817	0.4
69.45984	2.1
70.06579	1.6
76.93755	0.4
81.07098	0.4
88.07582	0.7
91.05460	0.6
95.05001	0.4
97.93761	0.4
98.97536	0.4
105.08298	0.5
111.04176	1.0
120.03910	0.5
121.06563	0.5
121.10119	0.5
146.11679	0.7
233.15469	0.5
237.11078	0.7
239.12544	5.6
256.26520	0.9
257.26697	0.8
275.16159	12.0
276.16559	0.7
294.14288	0.4
298.05511	0.5
300.28906	1.7
301.29312	1.9
355.37640	0.5
362.32635	3.9
363.21405	100.0
363.32990	7.5
364.21738	8.8
364.33340	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2143
Annotation	Hydrocortisone
Peak:m/z	Relative Intensity
50.35806	0.6
55.05518	2.7
57.03421	2.1
67.05505	2.9
69.07060	0.8
69.20238	2.4
71.75220	0.5
72.38795	0.6
79.05495	2.8
81.07050	2.3
83.04959	0.7
83.08645	0.7
91.05472	1.6
93.07018	1.3
95.04949	1.0
95.08620	0.8
97.10146	1.7
104.99277	1.7
105.07030	1.2
107.04976	0.7
107.08596	0.9
119.08576	1.8
121.06451	0.8
121.10147	0.8
131.08475	0.6
135.08037	1.4
145.10043	0.8
147.11661	0.8
153.09079	0.7
159.08075	1.9
189.11121	0.6
211.39345	0.6
233.15417	1.2
271.16788	0.9
286.29477	0.6
289.18048	4.3
331.18817	1.0
345.20517	1.1
346.27377	5.5
363.21405	100.0
364.21671	7.2
364.28424	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2144
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
52.54162	0.4
57.07072	1.6
58.06587	0.9
67.05484	0.5
69.56197	0.9
69.56564	1.6
70.06599	5.2
71.06940	0.7
71.08622	0.7
79.05483	0.7
80.51117	0.4
81.07054	1.0
85.32829	0.5
86.09710	0.5
88.07621	2.8
91.05477	0.5
102.09163	0.9
104.99304	0.5
111.04227	1.1
132.10182	2.2
146.11787	1.7
171.92953	0.4
202.43729	0.5
239.12538	3.4
256.26355	1.8
257.26749	3.1
257.29074	0.6
275.16232	11.2
293.30215	0.5
300.28970	3.7
301.29358	7.6
345.20401	1.1
362.32590	7.3
363.21432	100.0
363.32974	22.6
364.21759	8.6
364.33255	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.2
55.05510	13.8
57.03438	31.1
58.75057	0.9
59.05003	1.0
59.36218	0.9
65.03912	1.1
67.05510	15.9
69.03422	2.6
69.07063	5.1
69.60896	3.1
71.04997	2.0
73.18431	0.9
79.05499	18.8
81.03419	1.1
81.06624	1.4
81.07061	15.8
83.04990	3.4
83.08619	5.2
85.06528	2.3
87.75076	0.9
91.05482	17.0
93.07040	12.0
95.04986	4.9
95.08617	9.3
97.06515	1.8
97.10167	5.2
99.04459	1.0
104.99280	1.8
105.07041	14.3
107.04972	9.0
107.08598	12.8
109.02820	0.9
109.06520	7.4
109.10149	4.3
111.08102	1.9
115.05467	1.6
117.07009	8.3
119.08600	11.7
121.06516	11.0
121.10140	4.2
123.04427	1.1
123.08083	2.7
125.09619	3.3
128.06204	1.2
129.07008	5.2
131.04883	1.0
131.08580	10.1
133.06487	9.1
133.10165	6.4
135.08070	13.9
135.11690	1.5
137.05995	1.9
137.09621	2.9
141.06955	1.6
143.08574	3.2
145.06476	3.7
145.10129	8.6
146.07219	1.1
147.08063	8.7
147.11697	2.3
149.09630	5.6
151.07562	1.5
153.09106	3.4
155.08620	2.2
157.10185	2.6
159.08086	13.6
159.11714	4.1
160.08800	1.8
161.09642	4.7
161.13263	2.7
163.07486	5.3
163.11172	2.3
169.10129	1.7
171.11737	4.7
173.09711	5.0
173.13249	2.3
175.11278	2.0
177.09125	5.0
177.12715	2.3
183.11679	1.5
185.13249	1.2
187.11195	2.6
187.14796	5.0
189.11145	3.2
189.12735	14.8
191.10733	1.3
197.13371	1.8
199.11237	1.4
201.12715	1.3
205.12143	1.2
205.15833	8.5
215.14336	4.1
217.12300	1.9
225.16330	1.7
233.15388	19.1
233.18916	1.4
243.17540	5.0
253.15863	2.6
261.18497	11.9
271.16949	16.0
272.17136	1.3
277.21552	1.0
289.17996	100.0
290.18274	8.1
307.19070	2.5
345.16675	1.2
363.17584	11.1
363.21573	34.3
364.17981	1.1
364.21927	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	363.2146
Annotation	Cespihypotin S
Peak:m/z	Relative Intensity
50.27364	0.6
51.44754	0.7
54.62926	0.7
55.01865	0.6
55.05514	3.1
56.96566	2.1
57.03438	4.3
57.07066	2.1
67.05492	2.3
69.07082	1.3
69.75247	2.2
70.06588	4.9
71.04996	0.8
71.06939	0.8
71.08631	0.9
79.05501	2.9
81.07059	2.7
83.04982	3.6
83.08612	0.9
88.07624	4.2
89.06098	0.7
91.05480	4.3
93.07046	1.8
95.04965	1.0
95.08606	2.0
97.06535	1.1
97.10133	0.8
98.23474	1.2
102.09191	0.8
104.99288	1.5
105.07025	1.8
107.04965	1.7
107.08587	1.6
109.06508	1.1
109.10197	0.9
114.09177	2.3
117.07031	1.3
119.08582	2.0
121.06512	1.3
121.10147	0.9
129.07019	1.2
131.08586	1.6
132.10196	7.0
133.10538	1.2
135.08040	1.5
145.06531	0.9
145.10065	0.9
147.08041	1.3
159.08058	1.8
161.09662	0.9
171.11841	0.6
175.07455	0.7
176.12840	0.8
194.13896	1.7
195.09937	5.0
203.06772	3.0
233.15396	0.8
243.17345	0.8
257.26724	1.2
261.18558	1.3
271.16959	1.9
274.27435	0.9
289.17889	3.7
295.12250	1.6
307.18936	0.7
317.13586	1.3
331.18716	2.6
333.20221	1.8
345.20523	2.0
362.32602	15.6
363.17493	6.9
363.21451	100.0
363.32968	25.2
364.17657	1.1
364.21713	6.9
364.33163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06232	0.7
69.12868	1.6
69.13281	3.2
70.06590	3.0
74.19887	0.9
84.82655	0.7
88.07623	2.5
98.22706	1.8
104.99277	2.3
114.09198	1.6
115.09444	0.9
132.10207	5.0
133.10516	2.4
175.75067	0.8
239.77589	0.7
275.19769	1.7
363.17661	3.2
363.25067	100.0
363.32620	29.5
364.25424	9.6
364.33029	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2531
Annotation	Cespihypotin Q
Peak:m/z	Relative Intensity
53.43134	0.9
55.01872	2.6
55.05509	6.9
57.03435	1.9
57.07085	1.5
61.77840	0.8
62.98232	1.5
67.05505	11.4
67.45260	0.9
69.07070	21.6
69.86140	2.5
71.04990	2.0
74.64217	0.7
79.05505	7.8
79.48799	0.7
81.07053	9.3
83.04974	2.1
83.08632	4.4
85.06549	2.3
91.05483	3.7
93.07051	12.6
95.04963	1.0
95.08601	8.6
97.06535	9.7
104.99287	2.9
105.07030	2.9
106.07798	3.9
107.08594	8.4
109.06556	3.6
109.10121	3.6
111.08053	2.4
119.08601	2.3
121.10147	3.4
123.04445	1.0
123.08102	1.4
123.11662	0.9
133.10165	1.1
135.08032	5.3
135.11699	26.5
137.05934	1.3
145.10143	2.0
149.05988	13.5
149.09608	1.2
151.07535	2.6
153.12746	8.2
161.09641	1.7
162.06755	2.9
163.11180	4.4
165.12744	4.4
177.09161	4.9
177.12730	6.2
179.10475	0.8
181.12247	2.2
184.43826	0.6
191.10670	100.0
192.10986	4.3
199.13300	2.5
203.14308	9.5
206.13025	0.9
207.09973	1.6
217.14340	21.6
219.13785	2.5
224.80843	0.8
258.69910	0.7
317.24658	4.8
345.24246	93.4
346.24554	10.3
363.12268	1.3
363.18936	8.9
363.21191	5.0
363.25357	13.9
364.25708	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.6
57.07070	3.1
63.90442	0.5
67.05502	7.3
69.07066	12.6
71.05015	1.3
71.08611	1.3
73.06551	0.9
79.05491	4.4
81.07055	11.1
83.04962	1.3
83.08614	5.6
85.06521	1.2
86.08568	0.5
86.77489	0.6
89.06043	2.8
91.05475	2.1
93.07052	6.6
95.04958	0.8
95.08598	10.5
97.06517	2.9
97.10160	0.8
99.08063	0.8
101.20781	0.6
105.07009	2.9
107.08585	6.4
109.06512	10.6
109.10142	4.4
111.08093	3.0
116.50630	0.6
117.06996	0.8
117.41899	0.5
119.08583	3.8
121.10144	4.8
122.07288	0.6
123.08060	61.3
123.11668	2.8
124.08395	2.0
131.08528	0.6
133.10126	2.7
134.93507	0.5
135.08047	5.1
135.11676	2.2
137.09598	5.9
137.13211	1.0
145.10094	1.3
147.11691	2.4
149.09592	1.1
149.13234	3.6
151.09621	2.6
151.11194	1.0
159.11699	1.1
161.13245	1.0
163.11214	0.7
165.12799	0.8
167.14340	0.9
173.13258	0.8
175.14845	0.7
177.12595	0.7
179.14297	19.0
180.14616	0.6
193.15915	0.6
252.95932	0.6
263.20029	0.9
275.20059	1.4
289.21799	0.5
289.25131	1.1
295.22800	0.6
303.26801	1.2
307.22644	7.1
313.25128	0.7
313.90225	0.6
321.24112	0.7
324.88086	0.6
331.26251	4.5
363.28897	100.0
364.29193	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	364.137
Annotation	Ser Glu Glu
Peak:m/z	Relative Intensity
52.83501	0.4
64.51384	0.4
70.65821	0.7
85.37231	0.4
127.03973	0.4
167.07074	0.9
167.10765	0.8
167.12892	0.4
185.04237	0.6
202.08408	4.7
203.08467	0.6
287.90656	0.5
291.17520	0.4
323.84256	0.4
338.51501	0.5
364.10202	5.8
364.13702	100.0
365.14175	7.2
365.57703	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.4
59.12090	4.2
63.07454	4.2
69.03442	6.3
70.79652	3.8
72.08160	14.0
73.48548	3.8
75.04476	13.2
79.05486	10.7
81.07063	10.1
85.02923	10.6
91.05494	10.3
93.07047	83.8
95.04944	5.4
95.08635	5.6
105.07021	4.9
107.08631	4.4
111.08110	7.2
120.08075	21.9
121.10148	100.0
135.64204	3.7
136.06201	4.9
139.11195	14.8
149.09691	5.1
167.10690	47.3
203.05307	7.3
210.05003	4.4
219.14952	7.7
247.14343	5.2
248.66220	4.3
260.01242	4.6
262.01715	6.7
267.13312	5.0
353.93857	4.7
364.18369	15.3
365.10556	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	364.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29102	0.6
53.03935	1.6
55.41903	0.6
56.76318	0.5
61.73861	0.5
67.05523	1.1
69.03407	1.2
69.07085	0.8
69.11982	0.6
69.35750	2.7
70.53223	0.5
72.12355	0.5
75.04488	0.6
77.03928	1.2
79.05494	3.1
81.07059	3.0
85.02903	2.6
91.05489	6.6
93.07043	100.0
94.07388	2.5
95.04974	3.7
95.08623	1.2
102.76039	0.5
105.04519	1.5
105.07030	3.1
107.08600	1.7
111.08066	0.7
112.54646	0.6
119.08629	0.7
121.10147	41.6
122.10500	1.3
123.11710	2.5
125.06048	0.7
133.07632	0.7
139.11220	1.5
145.04945	1.1
149.09616	30.2
150.09962	1.5
151.52516	0.6
167.10681	32.2
168.11020	1.4
185.11807	0.8
262.36624	0.8
336.06329	0.8
349.06961	0.6
364.05844	1.8
364.21375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
55.05511	1.1
57.03444	1.1
58.00841	0.8
61.02930	0.9
67.05501	5.1
69.03432	2.3
69.07069	1.1
71.04986	1.4
73.02919	1.1
76.47883	0.8
79.05497	9.6
81.03403	1.0
81.07060	31.0
83.04968	0.9
83.26019	0.7
85.02919	4.9
91.05473	3.5
93.07049	32.7
95.08609	12.2
97.02912	1.3
97.06562	2.3
97.14166	0.9
105.07047	4.9
107.04977	1.2
107.08612	6.0
109.06525	3.2
109.10167	0.9
111.04412	1.6
111.08100	2.2
116.63133	0.8
119.08607	1.9
121.06500	2.6
121.10149	100.0
122.10479	3.1
123.08025	0.8
123.11712	32.3
124.12019	1.4
125.05965	7.1
125.06704	0.8
131.08577	4.3
139.11186	13.1
145.04987	1.1
149.09624	14.7
167.10681	43.9
168.11040	1.9
185.11755	6.5
364.21371	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07637	1.2
53.45510	1.3
55.01869	2.2
55.05510	2.3
66.45762	1.2
67.05508	4.1
69.07064	2.3
71.46413	1.4
71.71661	1.1
73.02966	1.3
79.05488	7.3
81.07056	9.4
83.04987	3.3
83.08626	2.3
88.88463	1.4
89.81092	1.3
91.05497	4.0
93.07049	9.1
95.04979	3.3
95.08633	3.8
105.07026	5.1
107.08607	3.9
109.06556	3.7
109.10182	3.3
111.04444	3.6
115.24067	1.4
119.08596	4.1
121.06509	100.0
121.10155	3.1
122.06854	2.5
123.08084	3.0
125.09597	1.3
129.78397	1.2
133.10141	1.8
135.08061	5.3
135.11758	1.5
137.05956	1.7
143.08495	1.7
145.10207	1.9
147.08109	1.9
149.09599	1.7
153.09067	1.4
153.12740	1.6
157.10095	1.6
163.11234	2.8
193.12192	6.2
198.98895	1.8
199.11208	1.7
231.10170	1.5
245.11823	1.5
251.12401	6.2
273.18588	3.7
283.16898	3.4
291.19571	6.1
301.18021	11.5
316.62823	1.2
322.13297	1.5
347.18558	57.2
348.18765	4.8
364.17603	6.8
365.19531	29.8
365.23389	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43026	1.2
53.03943	1.3
55.05514	10.4
57.07047	1.3
59.20387	1.2
62.29078	1.3
67.05510	13.8
68.91470	1.2
69.03444	2.0
69.07069	5.0
69.15971	6.9
75.62304	1.1
78.91113	1.5
79.05493	14.2
81.07061	55.5
82.07394	1.4
83.08621	2.3
84.04511	12.5
90.85019	1.2
91.05484	25.7
93.06455	1.6
93.07043	34.9
95.04986	6.4
95.08605	42.1
95.40766	1.2
97.06531	5.2
97.10174	2.2
102.05550	5.4
105.07035	48.7
106.07397	2.0
107.08595	51.9
108.08900	2.0
109.06509	8.7
109.10168	12.7
111.04405	2.2
111.08073	2.1
117.07027	5.7
119.06086	2.3
119.08585	100.0
120.08932	2.9
121.05677	1.0
121.06509	25.7
121.10152	16.4
123.08076	18.1
123.11712	2.6
125.09640	2.8
129.06961	2.1
130.05016	14.9
131.08571	6.8
133.10138	51.7
134.10466	1.9
135.08058	5.3
135.11687	45.2
136.12022	1.5
137.05777	3.8
142.07727	1.5
143.08568	4.3
145.10130	5.8
146.07298	1.5
147.08052	10.4
147.11684	17.9
148.06073	3.8
149.09602	3.2
157.10092	7.9
159.11703	21.0
160.12457	1.9
161.09669	8.4
161.13264	45.7
162.13693	1.5
171.11729	2.7
173.13237	1.8
175.11259	4.0
175.14828	3.1
184.12363	1.8
185.09656	1.7
187.11250	1.4
189.11133	2.0
189.12769	15.1
189.16382	65.7
190.16695	4.5
199.11133	1.5
199.14844	3.5
217.12355	1.6
217.15886	22.9
250.13615	1.7
251.12540	15.7
265.15857	2.7
273.18607	2.0
273.56650	1.3
280.37189	1.3
283.16907	5.0
301.18002	5.3
302.17923	1.5
347.18533	38.9
348.18777	3.4
364.17386	3.1
364.21652	10.9
365.19351	74.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87107	0.6
53.03942	0.6
55.01865	0.7
55.05508	1.8
57.40013	0.5
67.05498	4.6
67.95452	0.5
69.03439	1.3
69.07065	1.6
70.05087	1.7
71.05002	0.6
73.02927	0.7
77.12270	0.5
79.05482	3.2
81.07052	4.4
83.05005	1.6
83.08628	1.0
85.06568	0.6
91.05478	3.0
93.07056	5.9
95.04971	3.1
95.08604	3.5
97.02905	1.6
97.06546	0.7
105.07039	5.0
107.04951	2.7
107.08593	4.1
109.06513	2.6
109.10164	2.6
111.04470	3.2
117.07038	1.4
119.08598	4.0
121.06512	51.8
121.10099	2.9
122.06850	1.4
123.08066	2.7
125.06008	0.6
129.06975	0.9
131.08578	3.1
133.06526	0.8
133.10164	3.1
135.08063	13.6
135.11684	1.3
137.09631	0.6
139.07516	0.6
143.08575	1.9
145.10141	2.8
147.08060	8.2
147.11681	2.6
148.08447	0.7
149.08469	1.3
149.09622	16.4
155.08551	1.8
156.09360	0.7
157.10136	2.7
159.08069	2.0
159.11713	1.7
161.09612	5.3
161.13289	1.8
163.07617	0.7
163.11180	1.7
165.05502	0.9
169.10097	1.7
171.08032	2.0
171.11632	3.3
172.08858	0.7
173.09648	2.0
173.13272	1.1
175.11121	1.8
177.09087	0.7
181.10159	0.8
183.11710	2.0
185.09604	3.4
185.13274	1.4
187.11172	2.9
189.12738	9.8
190.13187	0.6
194.92892	0.5
195.11699	0.9
197.13283	1.0
198.99063	0.7
199.11171	3.9
199.14836	0.8
201.12775	1.6
203.14377	1.1
208.12408	0.6
209.09576	1.4
213.09134	1.8
213.12796	1.9
213.16394	1.8
215.10803	0.8
217.12230	1.1
222.74985	0.7
223.11148	1.6
223.14703	1.0
225.12746	1.1
225.16470	1.5
227.10701	1.4
227.17958	0.8
237.16429	0.9
239.14250	1.5
239.17941	0.9
241.12148	0.9
241.15903	13.2
242.16179	0.8
250.13541	2.0
255.17419	2.4
265.15924	5.3
273.18423	0.8
283.16937	9.2
287.16269	0.7
301.17966	15.3
302.18375	1.0
311.16489	1.4
322.99112	0.7
329.17395	3.1
347.18542	100.0
348.18884	7.7
364.21219	2.0
365.19482	14.5
365.22885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11800	7.1
51.43758	7.8
55.05505	13.6
57.76842	9.1
61.05160	7.0
67.05502	23.7
69.07081	10.1
77.51733	7.8
79.05509	17.7
79.28867	7.3
81.07054	19.1
91.05476	24.3
91.84557	8.6
93.07056	23.7
95.04961	12.8
95.08595	38.6
102.73586	9.4
105.07036	17.9
107.04855	7.9
107.08585	15.5
109.10161	8.9
111.81395	7.6
117.07019	9.2
119.08595	19.2
123.08117	10.0
132.42735	8.4
133.10155	10.2
135.08076	8.7
163.07562	8.5
175.14761	18.7
177.16437	10.4
322.98755	9.7
330.20645	20.6
364.21072	100.0
364.24887	20.6
364.33316	19.8
365.23657	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	364.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.8
55.01874	7.2
55.05513	59.5
56.05849	2.5
57.03447	9.0
57.07070	4.0
59.04996	3.4
64.17371	1.5
65.03936	1.9
66.58889	1.5
67.05161	3.7
67.05506	54.9
69.03442	10.0
69.07070	13.4
69.22236	9.6
71.05000	2.2
71.08629	2.7
73.02959	1.6
73.61454	1.5
79.05499	26.3
81.03437	12.9
81.07059	33.2
83.04974	13.8
83.08624	41.2
84.40604	1.7
85.06546	2.7
91.05486	16.1
93.07050	24.6
94.07372	2.8
95.04980	10.2
95.08601	16.4
97.02838	1.7
97.06559	4.1
97.10175	66.8
98.23377	2.7
99.08076	3.4
101.09690	1.9
105.07029	13.0
107.04964	3.9
107.08598	26.2
108.08949	2.3
109.06512	5.2
109.10169	33.5
111.04454	4.1
111.08095	6.0
117.07019	5.5
119.08561	11.3
120.08920	2.1
121.06472	2.7
121.10155	10.4
123.08064	4.2
123.11716	2.8
125.09639	57.6
126.09960	2.1
129.07021	2.7
131.08577	5.4
133.10112	8.4
135.08076	9.5
135.11691	4.9
137.09612	4.4
141.72665	1.6
143.08583	3.6
143.10612	1.8
145.10088	2.6
147.11679	7.8
149.09590	2.4
149.13231	2.2
151.11154	4.0
153.09097	7.1
155.10667	7.8
157.10164	3.3
159.11731	3.1
161.13208	3.1
163.07597	2.8
163.11214	2.2
164.54424	1.8
165.12695	2.4
171.10236	7.9
173.11745	49.0
173.13219	4.2
174.12148	2.3
175.11130	3.3
189.11224	100.0
190.11560	3.6
193.12244	9.4
205.08342	7.4
211.16939	1.7
241.19547	3.3
249.22122	1.7
259.20578	4.4
262.18890	2.1
263.12527	2.8
269.10587	2.2
272.17273	2.3
273.18533	4.9
277.21643	60.1
278.21988	2.7
289.17978	4.1
290.18289	15.5
291.19427	4.6
293.21045	2.0
295.22604	16.4
318.13864	3.2
364.18121	3.7
364.21832	10.5
365.10040	2.4
365.18967	12.7
365.23203	9.1
370.18137	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.9
55.01878	0.9
55.05507	4.0
56.05043	2.9
57.03436	1.3
58.02969	0.8
58.06581	0.5
60.04527	100.0
61.04859	0.9
63.53647	0.5
65.03928	0.6
67.05504	10.7
68.05017	0.9
69.03442	2.5
69.07064	4.0
69.70338	1.9
69.70683	1.0
70.06601	1.6
71.04525	0.6
71.04630	0.6
71.05002	3.6
72.04518	1.3
74.06084	1.1
79.05491	9.9
80.05019	4.5
81.03422	3.1
81.07054	14.4
81.07500	1.0
82.06579	3.8
83.04970	3.3
83.08601	1.5
84.08161	0.6
85.02902	1.2
85.06564	1.6
91.05486	4.5
93.07041	5.3
94.06589	3.0
95.04969	3.1
95.08607	10.0
96.08131	2.7
97.06543	3.5
97.10220	0.6
98.06075	2.0
99.04446	1.0
99.08097	0.7
102.05559	1.1
105.07026	3.4
107.04968	1.5
107.08585	3.5
108.08135	1.0
109.06532	2.1
109.10139	2.9
111.08146	0.7
112.07623	1.7
113.06003	0.8
116.07127	1.4
117.07021	1.6
119.08588	2.1
120.08121	0.9
121.06510	1.7
121.10174	3.0
122.06048	1.1
123.08099	1.1
123.11744	1.4
124.07617	2.3
125.06069	1.0
131.08607	1.9
133.10146	1.7
135.11674	2.2
136.06224	0.6
136.07552	1.6
136.63777	0.5
137.05991	0.7
137.13242	1.3
138.09074	1.2
139.07625	1.0
142.08627	6.2
145.10179	0.8
147.06845	0.6
147.11685	1.0
149.09697	0.8
151.06326	1.9
152.07065	26.0
154.08638	1.1
156.10188	4.1
159.11736	1.0
160.09711	3.2
166.08629	15.8
167.10718	1.2
171.11717	0.9
172.09695	2.6
174.11279	1.7
175.14832	0.9
178.10692	0.9
181.49008	0.6
185.11771	1.0
189.16365	0.8
190.10735	2.5
194.08119	26.8
195.06621	0.6
199.12389	0.8
208.11824	2.3
212.09169	32.5
213.10324	0.7
227.11800	2.4
240.08922	1.1
241.09781	2.2
255.11287	7.8
273.13693	0.7
274.21622	1.7
283.10843	1.3
292.22665	5.4
301.11710	3.0
302.17493	8.2
302.23093	1.2
306.06116	0.8
310.23773	8.0
320.18628	3.2
328.24850	7.7
346.25830	14.8
347.26157	0.9
356.39185	0.6
364.14053	1.4
364.21439	4.3
364.26917	54.5
365.15665	1.0
365.27136	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	365.0638
Annotation	Dehydropachyrrhizone
Peak:m/z	Relative Intensity
53.28385	7.1
54.25370	6.6
56.23123	6.8
56.96559	26.6
57.84837	7.6
69.03422	10.0
69.45514	14.8
69.45902	16.0
70.06598	13.3
72.08150	8.2
79.05492	10.3
81.07045	19.6
85.02879	13.9
91.05507	9.6
93.07047	8.6
97.02895	9.9
98.97599	24.6
107.08614	11.8
110.97573	11.7
116.98609	15.1
117.09135	9.8
120.08068	9.9
121.10168	10.1
128.98633	11.1
147.04402	25.2
153.86177	7.7
161.01173	9.4
167.07059	15.3
167.10696	17.7
168.07420	12.7
172.04364	12.8
175.21449	8.5
185.11595	8.4
190.12268	17.8
195.03346	9.8
213.04318	10.0
219.01732	11.3
224.46062	6.9
237.02872	11.2
239.02159	17.5
281.03207	8.7
346.26126	8.4
347.16721	18.0
365.05865	100.0
365.10526	14.0
365.16077	30.9
366.06479	10.8
366.23987	8.4
383.06522	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	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
60.04520	1.3
68.99807	1.5
69.78722	0.8
71.08911	1.3
72.08141	2.8
79.05476	1.2
81.03935	0.9
81.07074	1.7
84.08119	1.1
89.05106	1.2
93.07039	1.1
95.08588	1.2
105.45770	0.9
120.08099	3.2
121.02888	1.1
137.02304	2.3
138.28244	0.9
145.02847	1.5
147.04398	1.6
168.10979	1.5
177.05519	1.6
185.04214	8.1
186.00847	1.0
189.01791	0.9
201.05461	1.0
203.03152	100.0
204.03456	3.6
207.99335	1.0
309.07657	1.8
337.07016	2.2
365.08401	34.2
365.19968	1.8
366.08887	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1022
Annotation	Justicidin B
Peak:m/z	Relative Intensity
50.80294	0.7
54.17398	0.8
55.05506	1.0
56.96598	0.8
57.03452	0.7
57.07074	1.2
64.97832	0.9
66.89342	0.6
67.05505	0.7
67.93151	0.6
69.07068	1.0
69.13854	2.7
69.14259	1.5
69.82766	0.6
70.06585	2.4
72.45169	0.7
74.86357	0.8
79.05468	0.8
80.94849	1.0
81.07045	1.8
82.82770	0.7
91.05450	1.1
93.07006	0.9
95.08601	1.2
98.23444	1.8
102.09148	0.8
105.07018	1.1
109.06512	1.2
119.08604	0.8
132.10207	0.9
134.91353	0.8
139.78336	0.7
140.46947	0.7
145.10117	1.1
153.30438	0.7
154.58484	0.7
189.07060	1.4
191.08569	0.8
202.07750	1.8
203.08603	0.9
205.06514	1.8
216.05782	1.1
218.07237	3.5
219.08076	5.4
220.08836	1.8
230.07317	2.0
231.08009	1.2
232.08763	3.6
233.06000	2.1
233.09607	0.9
234.06654	0.9
235.07635	1.4
236.07970	1.0
245.06071	2.4
246.06709	7.2
247.07552	11.3
248.08215	5.7
251.10754	2.0
256.26334	0.8
258.27020	1.4
259.07541	2.0
260.04660	0.8
260.05994	0.9
260.08340	5.9
261.09152	2.7
262.09924	1.7
263.07208	1.3
263.10733	7.7
264.07742	1.1
273.05447	1.1
274.06268	2.4
275.07043	12.4
276.07788	8.9
277.08578	3.3
278.09442	1.5
279.10095	2.0
288.07587	0.8
289.08578	7.1
290.05899	1.2
290.09192	1.8
291.06604	2.5
291.10172	11.7
292.07520	1.1
292.10471	0.9
293.11676	1.5
302.29541	3.7
303.06534	15.3
304.07040	2.3
305.08145	1.6
307.09686	4.8
317.08228	1.0
319.09528	3.3
319.91263	0.7
320.10156	1.3
321.11191	23.0
322.11697	1.3
333.07529	3.2
335.09134	10.2
347.09149	3.9
348.09146	0.9
364.33182	15.3
365.10217	100.0
365.20349	13.9
365.33578	1.6
366.10605	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	365.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93807	0.6
58.33619	0.5
71.04340	0.7
74.36432	0.5
78.50987	0.5
94.92986	0.6
134.51324	0.6
161.73409	0.6
185.04216	19.9
185.05891	1.0
186.04585	0.8
187.59854	0.7
193.00006	0.6
203.05264	50.9
204.05641	1.7
243.16449	0.6
258.35651	0.5
362.95865	0.6
365.10547	100.0
366.10989	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	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
70.50974	0.8
74.76672	0.4
106.17514	0.4
149.10358	0.4
153.57468	0.4
156.58380	0.4
185.04213	19.1
203.05270	42.8
204.05602	1.3
242.60513	0.5
365.10556	100.0
366.10959	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06904	0.5
69.19175	2.9
73.35367	0.4
82.05028	0.5
87.41978	0.5
88.19527	0.5
93.26868	0.5
94.93011	8.8
96.92830	2.0
98.22697	1.1
112.89598	4.0
114.89322	3.6
116.89100	0.6
133.12494	0.5
160.93996	3.0
162.93869	1.4
182.12790	0.5
185.04216	16.9
186.04604	0.7
186.91742	3.4
192.99889	0.9
202.89035	3.4
203.05260	41.3
204.05586	1.3
208.97290	0.7
212.85201	2.9
214.84987	1.2
216.90630	1.0
218.92334	1.1
232.92284	2.6
242.88397	2.2
243.89404	1.9
244.90154	3.2
245.89259	1.2
246.90042	1.9
268.86407	1.1
285.48834	0.5
286.87457	1.3
288.89139	0.9
290.88300	1.0
300.86801	18.4
302.86606	15.4
326.84750	4.3
328.84564	4.0
328.88467	2.7
365.10559	100.0
366.10989	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	365.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62898	0.6
69.75904	1.3
69.76259	1.4
96.70129	0.6
98.22753	1.5
98.97559	0.7
111.69480	0.7
365.12073	100.0
366.12445	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	365.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
56.70403	2.0
56.96540	2.8
60.04524	3.0
61.01149	29.5
67.05503	2.9
69.07024	2.1
70.06599	2.8
72.04520	21.6
72.08181	2.6
78.03799	19.1
79.99174	2.0
84.08081	2.2
85.02905	6.6
86.06094	6.1
86.09692	3.1
87.00831	16.3
88.02238	6.2
95.04977	3.8
97.94716	2.5
98.97600	2.8
98.98401	2.6
99.05566	5.3
99.08113	5.7
100.11269	21.3
101.11608	4.4
102.03768	16.3
103.02163	33.7
104.01688	2.6
113.05984	4.3
114.03773	9.7
114.05522	46.0
114.95300	5.7
116.24749	2.7
120.04794	38.1
120.08121	5.0
121.06523	6.7
124.07580	2.7
129.00076	3.9
131.06386	6.7
132.04784	11.6
132.96344	6.2
137.05931	3.4
142.08629	8.3
146.02722	12.4
147.01115	15.3
147.04411	3.3
149.07448	33.1
150.97353	3.0
159.05925	10.0
164.03758	13.3
167.10651	2.4
174.05847	5.6
178.96938	2.6
187.09636	2.4
191.08475	48.8
191.11264	2.1
196.97893	5.4
201.07069	2.6
203.05338	2.3
209.16525	3.1
217.06429	6.5
227.17474	14.7
228.17845	12.4
235.07469	100.0
303.13766	26.4
347.12726	23.1
360.55554	2.6
365.05966	5.5
365.11920	32.5
365.16409	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	365.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05517	1.1
60.04526	17.2
61.04861	2.1
62.35660	0.6
67.05502	3.9
68.05819	0.7
69.03419	0.8
69.07083	1.0
69.42021	2.8
79.05509	2.8
80.05039	1.8
81.03423	1.4
81.07037	3.4
82.07371	0.8
83.04962	0.9
83.06947	0.6
83.08626	0.7
85.02908	0.8
85.06520	0.7
91.05457	1.3
93.07044	1.8
94.06586	1.6
95.01290	0.7
95.04977	1.3
95.08600	2.3
96.08116	1.2
97.06539	0.8
98.22623	0.7
99.04444	0.8
105.07038	1.3
107.04982	0.8
107.08596	1.1
109.10164	1.2
120.08109	0.6
121.06486	0.8
121.10176	0.7
122.06007	3.7
124.07599	1.2
127.03918	0.7
131.08582	0.7
133.10057	0.8
136.07607	1.2
137.04735	1.2
142.08601	1.0
145.10101	0.8
150.05492	1.0
151.06274	6.8
152.07062	87.0
153.07396	2.2
166.08636	51.7
167.07233	0.8
167.08861	1.6
169.06532	1.4
169.12193	1.5
182.08177	1.3
182.09628	1.3
184.09885	0.7
187.08684	0.8
194.08122	100.0
195.08440	3.9
197.08397	1.1
198.09294	0.8
199.12288	1.0
210.09113	1.8
212.09171	99.5
213.09621	4.1
227.11835	6.9
238.08372	0.8
239.08275	0.9
240.08899	3.3
241.09698	6.2
243.57491	0.6
255.11281	24.8
256.11560	1.6
283.10754	4.4
293.22888	1.0
301.11810	9.8
303.17877	1.2
311.23956	1.0
329.25021	1.2
347.26050	2.2
364.26813	0.9
365.15323	1.4
365.19708	1.8
365.22104	0.7
365.27261	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	365.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	33.5
55.50451	8.4
56.96574	23.0
57.03443	13.4
67.05505	38.0
69.03438	18.8
69.07053	17.4
70.33562	17.0
79.05501	38.6
81.03432	7.8
81.07067	51.9
83.04952	8.5
83.08578	10.6
91.05480	37.2
93.07047	38.2
95.04967	17.9
95.08614	23.6
97.06514	9.3
97.10181	9.8
105.07026	37.2
107.04974	8.5
107.08601	26.4
109.06504	11.1
109.10176	17.6
117.06996	16.8
119.08584	37.3
121.06490	11.9
121.10159	10.8
125.06022	15.9
125.09681	9.0
129.07021	13.4
131.08571	22.9
133.10150	15.6
135.08038	12.9
145.10129	23.7
147.08083	16.6
157.10107	11.7
177.16478	9.6
189.11288	9.1
269.10672	12.8
273.18643	40.4
291.19577	10.4
295.12231	13.0
323.72525	10.0
331.19067	30.5
347.22168	17.7
365.10394	19.5
365.16721	100.0
365.22989	58.9
383.17468	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	365.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	5.7
55.05505	16.7
55.21523	4.7
56.96566	21.1
57.03436	22.8
57.04198	3.9
67.05513	16.8
70.15973	4.8
70.52307	9.2
79.05498	24.4
81.07066	20.6
91.05500	26.4
93.07048	19.7
94.66168	5.3
95.04991	10.6
95.08599	12.0
97.06564	5.4
97.10181	5.3
105.07044	20.9
106.68652	4.9
107.04958	10.6
107.08591	12.6
109.06523	15.2
117.07020	15.7
119.08591	12.6
121.06506	7.2
121.10088	5.0
125.09641	9.5
129.07033	11.0
131.08582	12.1
133.10158	7.3
135.08073	13.9
145.10158	15.3
147.08058	12.0
147.58055	4.7
149.09595	7.2
157.10233	8.9
159.11720	5.8
161.09644	9.0
171.11826	4.5
175.11122	5.1
177.12907	5.2
187.41182	4.7
192.97690	4.5
217.15823	14.2
241.07323	7.6
259.08591	7.2
266.82797	4.4
273.18433	36.0
291.19467	10.8
295.12192	9.0
319.15356	10.7
347.15222	14.4
347.22015	10.6
365.19183	100.0
365.23434	11.9
383.17587	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54306	10.4
55.05511	17.4
56.67354	10.6
57.07080	26.1
61.73336	10.9
67.05504	45.2
68.76097	10.9
69.03440	12.0
69.07078	47.5
79.05492	27.1
80.94806	10.4
81.07053	36.8
85.06553	14.6
87.71949	10.6
91.05490	43.1
91.52784	11.9
93.07040	65.8
95.04939	62.7
95.08598	42.6
97.06519	17.2
98.16058	10.2
104.99242	19.5
105.07053	63.7
107.08594	53.6
109.06524	22.5
109.10164	30.3
117.07015	25.8
119.08593	63.3
119.09359	11.8
121.10163	35.8
129.06995	26.1
131.08588	35.2
133.10153	31.8
135.08089	27.4
142.07809	12.2
143.08562	36.2
144.79472	10.9
145.10146	47.2
147.08055	14.0
149.09695	14.3
155.08487	13.7
156.09381	16.6
157.10136	55.7
159.11707	25.0
161.09572	21.6
167.08612	13.0
169.10147	28.7
170.10837	15.7
171.11705	36.8
173.09703	15.0
173.13211	29.1
179.08549	26.4
181.10155	21.4
182.10866	17.9
183.11703	34.5
184.50267	12.8
185.13341	13.4
187.08742	16.7
191.14281	12.6
193.10210	32.5
195.11725	27.7
197.13194	20.7
207.11755	25.8
208.12508	16.5
209.13228	27.1
211.14801	19.8
221.13264	27.1
223.14767	20.6
225.12799	15.8
233.13170	19.3
235.14740	13.4
249.16341	22.0
337.79211	11.7
347.23676	39.7
365.16852	48.5
365.20193	60.6
365.24435	100.0
366.25189	16.1
383.17493	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05513	1.9
56.96575	3.6
57.03436	6.7
64.97823	2.1
67.05512	4.0
79.05495	2.9
81.07075	3.5
83.36337	1.2
85.06549	2.7
91.05512	4.1
93.07059	2.4
95.04999	5.6
95.08626	2.2
103.49002	1.1
105.07049	2.5
107.08585	2.0
109.06557	5.1
113.06024	8.1
119.08622	2.0
121.10258	1.2
125.05904	1.3
131.08582	1.8
132.57002	1.3
133.10095	1.8
135.08130	2.8
145.10188	2.6
147.08069	1.6
160.57497	1.2
173.13333	1.7
175.84120	1.2
194.33423	1.1
195.10077	2.4
209.11537	1.8
211.56836	1.2
231.09161	1.7
237.11086	3.1
263.12460	9.2
264.85101	1.4
269.10825	5.1
273.18564	2.3
287.11844	1.6
291.19568	2.8
295.11542	1.2
319.15775	1.4
341.94949	1.3
347.27963	5.6
365.10245	4.4
365.19498	100.0
365.23288	13.2
366.19843	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	365.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.8
55.05518	0.9
58.06569	0.9
64.97822	1.3
66.92419	0.9
67.05491	1.8
69.07045	1.0
70.59480	2.0
76.41994	0.9
79.05487	2.8
81.07053	3.0
91.05479	3.1
93.07054	2.0
95.04967	1.7
95.08610	2.3
105.07046	3.1
107.08613	1.2
109.10149	1.6
125.05756	4.2
147.08099	1.2
147.11665	1.0
156.49792	1.0
163.03696	1.3
182.19038	2.7
195.09917	1.4
212.05956	1.0
229.22343	1.0
263.12531	18.5
264.12900	2.4
277.14175	2.7
290.03287	1.0
307.15353	1.1
319.15262	1.1
329.81787	1.2
347.27704	3.1
365.19269	7.1
365.23038	100.0
365.31763	4.2
366.19437	1.6
366.23416	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	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92668	1.5
56.90896	1.4
56.96568	3.3
57.03435	3.9
62.91230	1.5
64.97813	2.2
67.05501	4.7
67.06517	1.5
69.07052	2.0
71.47186	1.6
79.05486	4.5
80.94938	1.7
81.07057	5.2
85.06564	3.0
91.05475	5.0
93.07047	6.4
95.01111	1.8
95.04961	7.4
95.08587	2.8
104.99297	1.6
105.07012	3.9
107.04879	1.5
107.08586	3.5
109.06522	8.1
113.06029	9.9
117.07019	2.2
119.08566	3.6
121.06509	1.9
125.05791	7.6
129.95215	1.7
131.08551	2.0
135.08119	2.8
152.22491	1.5
183.06610	1.6
185.04684	1.9
188.11742	1.7
213.84338	1.7
263.12555	24.3
269.10629	3.6
273.18509	4.8
291.19589	3.6
347.18460	2.6
347.27591	7.7
365.10095	3.6
365.19159	60.4
365.23056	100.0
366.19427	3.5
366.23364	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	365.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58565	1.1
52.24594	1.0
55.05511	2.4
55.54373	1.0
56.79873	1.2
57.03426	1.3
57.45272	1.0
67.05472	2.5
69.07063	2.1
79.05499	2.9
81.07057	4.9
84.04530	2.2
91.05489	3.4
93.07043	4.8
95.04980	2.0
95.08605	5.9
96.98611	1.1
97.29212	1.1
105.07047	5.2
107.08583	5.4
108.08905	2.0
108.18539	1.2
109.06532	1.7
109.10149	3.4
119.08551	7.8
120.08906	3.3
121.06532	2.3
121.10149	4.6
122.10488	1.3
123.08105	2.6
130.04974	2.7
133.10132	4.3
134.10490	2.4
135.08046	1.1
135.11690	2.5
137.05777	4.0
145.10091	1.9
147.11736	1.7
148.06053	1.4
148.12009	1.2
149.09642	1.6
161.13264	1.3
162.13622	1.7
187.11234	1.4
190.16739	3.2
193.05077	1.3
219.17494	1.8
229.07599	1.3
251.12527	17.7
261.18655	1.1
273.18393	1.3
297.69241	1.4
347.18353	3.8
348.18787	5.2
365.19400	100.0
366.19513	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	365.1937
Annotation	DODECAHYDRO-8''-HYDROXY-1'',2'(5'H)-FURAN-5',5''-[5H-1,4A](METHANOXYMETHANO)NAPHTHALEN]-2,9''-DIONE
Peak:m/z	Relative Intensity
56.96558	1.8
66.66508	0.7
67.05507	1.1
67.85410	0.7
69.79490	1.5
69.79814	0.8
76.62449	0.6
79.05515	1.0
81.07047	1.0
84.75180	0.6
90.59968	0.7
91.05514	1.4
94.66895	0.6
95.08648	0.8
98.23452	1.2
104.99286	0.9
109.06548	0.7
119.08595	1.0
126.46607	0.7
237.11003	6.8
255.09079	1.5
266.36069	0.7
273.10074	0.9
273.18631	1.4
277.00162	0.9
282.63779	0.7
299.81180	0.7
347.15088	1.1
365.19424	100.0
366.19763	7.0
366.26480	0.8
383.17258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56140	0.3
71.75722	0.4
79.05483	0.5
122.66843	0.4
144.47469	0.3
160.35783	0.4
164.99481	0.4
195.10025	0.3
251.12509	0.6
279.12103	0.9
279.29498	0.4
347.18237	0.6
365.19373	100.0
366.19690	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	365.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57617	1.1
64.97806	1.7
67.05491	3.6
69.03434	1.4
69.07031	1.3
72.08147	1.4
74.86450	1.4
79.05501	2.2
81.07044	2.5
91.05473	3.6
93.07039	3.1
95.04938	1.5
95.08646	1.8
105.03397	3.5
105.07032	3.5
107.08623	2.8
109.06482	1.9
119.08569	4.2
121.06456	1.8
121.10184	1.6
131.08563	3.0
133.10107	2.8
146.31702	1.3
149.02333	5.6
175.11212	1.4
183.11545	1.5
193.04938	6.3
200.20189	2.5
203.14424	1.3
255.17355	1.5
261.14865	1.7
277.14053	3.9
329.17538	1.7
331.18808	1.4
347.14651	1.5
347.18414	1.9
365.19330	100.0
366.19522	5.9
366.22891	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	365.1961
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
51.68479	2.5
55.01850	2.9
55.05506	6.8
57.07583	2.6
59.90852	2.8
67.05509	7.5
69.07068	6.1
69.22479	3.7
69.22763	15.3
69.56387	2.5
70.03950	2.8
71.04998	3.2
74.06079	3.4
79.05495	11.8
81.07069	21.1
83.04996	4.3
91.05461	16.2
91.11279	2.9
93.07037	27.9
95.04987	12.1
95.08604	20.1
97.06559	4.2
105.07037	24.3
107.08570	16.4
109.06539	8.4
109.10191	8.4
111.08064	2.9
117.06997	4.9
119.04947	9.1
119.08578	34.7
121.06519	10.2
121.10138	10.4
123.04426	5.7
125.06027	5.5
129.07001	3.7
131.08589	14.5
133.10143	12.3
135.08090	6.8
135.11685	4.2
137.09546	4.6
143.08572	7.9
145.06476	3.8
145.10114	24.6
147.11687	8.1
149.02379	11.5
149.09499	3.0
155.08583	6.7
157.10162	12.3
159.08034	3.0
159.11707	6.6
161.09619	7.0
169.10173	9.5
171.11693	10.0
173.09688	5.1
175.11208	3.4
181.08669	6.4
181.10138	6.0
183.11761	8.7
185.13348	4.9
191.10748	3.8
193.04941	15.3
195.11710	8.4
197.13281	6.1
199.11191	3.1
199.14861	3.2
200.20061	3.5
201.12675	3.1
209.13202	15.5
211.14848	8.9
212.14980	3.0
219.13651	3.2
227.14360	8.1
227.17984	5.0
231.13866	4.0
232.72290	3.1
237.12817	3.9
237.16447	7.2
239.17995	12.5
255.13890	9.0
255.17361	22.4
257.19003	10.0
265.15906	6.3
267.17548	4.9
273.15723	4.8
273.18533	26.7
283.13638	4.7
283.16956	31.3
285.18585	6.2
301.17984	44.6
302.18411	4.5
311.16312	15.9
319.19089	5.3
329.17416	34.1
330.17715	6.9
347.18494	37.9
348.18817	3.6
365.19348	100.0
365.23373	9.5
366.19193	7.6
366.22925	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44531	0.3
57.07068	0.3
60.04145	0.3
69.88855	0.7
73.81878	0.3
93.49586	0.3
118.14852	0.3
199.71295	0.3
365.20602	100.0
366.20969	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	365.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41321	0.3
54.53482	0.3
55.05510	0.7
57.07076	1.9
59.04993	0.6
67.05504	0.6
69.07063	1.1
69.50149	0.6
69.50515	1.3
70.78562	0.3
79.05482	0.7
81.07053	1.0
85.06546	1.3
91.05498	0.8
93.07039	0.9
94.50670	0.3
95.08619	0.8
97.06541	0.4
107.08601	0.7
109.06541	0.7
109.10194	0.7
119.08541	0.5
121.10178	0.4
122.77856	0.3
123.08069	1.1
135.08058	0.8
135.11708	0.7
145.10173	0.4
153.12717	0.5
165.12814	0.5
177.12718	0.6
179.14339	1.2
187.64929	0.3
217.14345	0.5
235.56999	0.3
251.10088	0.4
263.20154	0.7
337.27338	0.3
347.19556	3.1
347.25815	2.7
365.20618	100.0
366.21024	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	365.209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	13.8
57.07074	15.8
67.05521	17.5
69.07058	11.5
69.37434	9.9
69.82265	23.0
69.82619	20.6
71.08665	9.7
79.05494	12.7
81.07059	19.8
89.03511	9.8
93.07065	15.7
95.08596	17.4
98.22797	14.2
100.24791	10.0
105.07011	12.6
165.12889	9.2
180.89357	10.8
365.10583	20.8
365.20926	100.0
365.26306	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	365.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53066	3.5
55.05509	5.9
57.07083	5.1
61.90559	3.9
65.68772	3.3
67.05486	9.5
69.07059	6.1
79.05495	7.1
81.07042	8.3
85.06530	3.8
93.07030	8.2
95.08594	5.6
106.01846	3.6
107.08561	5.7
109.06526	3.7
112.69971	4.6
117.44530	4.3
123.08106	8.4
139.73984	3.2
139.90439	3.4
151.07536	3.8
160.43623	3.4
165.09076	22.6
179.10632	4.3
193.51143	4.8
197.98695	3.6
204.04614	4.1
238.05553	4.2
305.24896	5.8
319.26291	8.3
347.25818	51.3
347.66193	3.5
365.20850	21.4
365.26831	100.0
366.27151	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	365.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33983	0.2
55.05517	0.4
61.37039	0.2
70.22152	0.5
72.36966	0.2
81.07080	0.4
82.52668	0.2
83.04964	0.3
88.29974	0.2
91.43929	0.2
97.61494	0.2
98.22785	0.3
109.06541	0.3
117.67196	0.3
122.53053	0.2
133.10146	0.3
258.41064	0.3
261.89182	0.3
365.21921	100.0
366.22284	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	365.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.3
63.02372	0.9
64.91264	0.4
64.97842	0.4
65.03941	3.5
67.05507	0.8
69.07068	2.5
69.97628	1.1
71.19816	0.4
75.02367	0.8
79.01856	12.4
81.07053	0.7
84.08134	1.4
86.09708	16.5
89.03920	14.2
91.05486	4.3
93.07050	2.6
95.04991	2.0
95.08616	1.3
105.04521	1.3
105.07017	0.5
109.10178	0.4
112.07568	0.7
114.04615	0.4
115.05457	39.2
116.05817	1.1
117.06986	0.5
119.04928	0.5
119.08596	0.5
121.06509	16.9
122.06828	0.4
129.10262	0.7
135.07980	0.4
138.09065	0.5
139.07520	0.8
143.04921	100.0
144.05254	3.0
145.06519	1.2
151.51831	0.3
159.11737	0.5
187.55806	0.4
189.16354	1.4
197.56866	0.5
206.15350	3.0
223.18062	4.9
224.16486	2.7
228.13832	5.5
245.16676	0.7
249.16034	2.3
271.14426	21.1
272.14734	1.3
335.19470	1.9
365.21271	10.3
365.34787	0.4
366.21472	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51561	1.1
51.76170	1.3
57.76820	1.2
61.72809	1.3
63.97915	1.4
67.05499	2.3
70.71518	2.4
79.05489	1.8
81.07052	2.8
87.64819	1.3
90.80339	1.4
91.05483	1.6
95.08610	1.3
105.07019	2.1
116.46304	1.3
129.35843	1.3
158.96100	1.2
164.47850	1.4
229.07446	2.4
247.08504	2.9
321.20453	3.0
347.27728	2.3
364.33362	4.2
365.19177	47.0
365.23010	100.0
365.33298	4.5
366.19397	4.4
366.23334	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	365.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11883	0.8
57.07068	1.6
67.05495	1.4
69.07093	0.9
70.06599	2.1
79.05486	3.0
81.07064	2.4
91.05507	1.7
93.07054	3.0
95.08625	2.1
97.10136	0.9
105.07043	1.9
107.08599	1.2
109.06499	2.1
126.05318	4.3
131.08583	1.2
157.10178	1.1
180.97856	0.9
240.23366	3.6
262.21478	3.6
302.29813	2.4
307.27118	4.5
364.33270	9.5
365.23077	100.0
365.27783	17.0
365.33313	4.6
366.23181	7.4
366.27359	1.2
367.49338	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62797	0.1
54.62352	0.1
59.36739	0.2
60.42630	0.1
62.06109	0.2
64.97827	0.3
67.05482	0.2
69.07025	0.2
70.43649	0.3
79.05473	0.3
79.43211	0.1
81.07047	0.5
91.05505	0.3
93.07043	0.5
94.13354	0.2
95.04974	0.2
95.08632	0.4
98.22774	0.2
103.78918	0.2
104.99274	0.3
105.07043	0.5
107.04224	0.1
107.04940	0.2
107.08570	0.2
109.06503	0.2
109.10145	0.2
119.08612	0.2
121.10255	0.2
123.04378	0.2
123.08041	0.2
125.05745	1.1
133.10091	0.3
145.10147	0.2
155.06953	0.3
163.03728	0.3
183.06520	0.4
184.50075	0.2
189.27586	0.2
195.09915	0.9
263.12540	3.6
264.13055	0.2
277.14151	0.3
285.10239	0.4
295.14948	0.2
335.21808	0.3
346.27396	0.4
347.21756	0.3
347.27737	2.8
365.22989	100.0
366.18872	0.4
366.23361	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	365.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65276	0.3
58.98679	0.4
67.05491	0.8
69.66340	0.8
69.66725	1.0
79.05472	0.6
81.07043	1.2
95.08598	0.4
97.06588	0.4
98.23426	0.7
104.75974	0.3
105.07072	0.5
195.09996	0.5
205.08263	0.4
209.99338	0.4
226.84668	0.4
291.19583	1.0
335.21906	0.6
365.22998	100.0
366.19513	0.3
366.23373	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	365.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	0.9
67.05507	1.7
71.08627	0.9
81.07059	3.2
83.08660	0.9
86.09694	3.5
91.05491	2.8
93.07076	1.5
95.04984	1.7
95.08600	1.3
104.99281	1.1
105.07071	1.5
107.23382	0.7
115.05457	1.0
119.08605	0.7
121.06525	1.8
123.04396	0.7
135.07968	0.8
143.04942	3.2
149.09598	0.9
195.09962	1.0
209.11479	24.8
253.12532	0.8
273.18344	1.1
291.19571	2.1
333.20645	0.9
365.23022	100.0
366.23395	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	365.2326
Annotation	nor-Asbestinin A
Peak:m/z	Relative Intensity
53.03941	4.5
55.01870	8.3
55.05513	24.2
57.03442	100.0
57.07071	4.7
58.79861	2.4
65.03938	4.6
67.05511	63.1
69.03423	5.6
69.07072	19.2
69.32928	9.2
69.33334	4.1
71.04987	7.8
77.91441	2.9
79.05498	54.3
81.03410	8.1
81.07060	95.0
82.07386	3.7
83.04988	15.3
83.08624	6.4
85.06549	12.1
88.19684	2.7
91.05486	52.7
93.07051	42.9
95.04980	18.5
95.08616	39.9
97.06535	24.2
97.10201	5.6
98.23438	4.6
99.08112	9.2
105.07034	50.3
107.04924	12.0
107.08589	23.1
109.06527	44.1
109.10133	11.7
111.04433	2.4
111.08115	6.8
113.06028	6.9
117.07020	14.0
119.08574	37.1
121.06473	8.2
121.10139	15.0
123.08049	11.4
123.11707	7.0
125.06009	4.7
125.09641	4.7
127.07565	65.6
128.07912	2.6
129.07028	10.0
131.08559	21.2
133.06548	2.6
133.10138	14.9
135.08070	17.1
135.11723	7.0
137.09636	11.1
143.08611	5.9
145.10150	14.1
147.04173	7.9
147.08051	9.4
147.11673	22.4
149.09645	7.8
149.13298	6.1
151.07574	3.3
155.08600	4.7
157.10066	11.4
159.08015	3.8
159.11711	5.7
161.09663	9.4
161.13248	3.0
163.11221	7.0
165.12787	8.9
171.11734	7.5
173.11870	2.9
173.13312	8.9
175.11205	6.0
183.11797	2.9
189.11259	3.7
189.16373	4.6
193.12201	4.3
199.14816	6.2
201.12787	5.8
217.15971	10.8
219.13728	4.4
235.16969	11.7
245.19162	5.0
255.17563	6.9
263.10785	3.2
263.20038	4.7
266.04526	2.5
273.18518	37.8
275.07080	3.4
291.19559	79.9
291.22629	5.1
292.19818	3.8
302.29755	2.5
303.06561	4.0
321.11353	7.4
347.22314	5.3
364.33255	14.1
365.10297	32.7
365.19370	7.6
365.23230	99.3
365.33261	3.9
366.23575	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.96589	1.9
55.01871	10.8
55.05514	28.5
56.96574	4.1
57.03441	23.7
64.13361	1.6
65.03956	2.7
67.05508	32.1
69.03422	4.7
69.07068	9.6
69.53262	5.2
71.04996	5.3
79.05492	43.9
81.03414	3.1
81.07058	42.6
81.47665	1.6
83.04972	5.4
83.08630	10.4
85.06560	4.2
91.05483	44.1
93.07043	27.3
94.07387	2.1
95.04959	16.1
95.08611	15.8
97.06523	3.1
97.10188	10.0
98.23479	2.5
98.68559	1.6
99.08109	2.0
101.06006	1.7
103.05496	1.7
105.04517	2.3
105.07034	29.5
107.04945	15.0
107.08597	24.4
109.06532	16.9
109.10151	9.9
111.08071	2.6
113.05983	2.3
115.05482	2.2
117.07014	21.5
119.08580	37.2
121.06517	9.6
121.10158	9.4
123.08120	8.9
123.08883	1.8
125.09637	12.1
128.06195	4.7
129.07001	12.6
131.08568	24.8
132.05624	1.9
133.06494	5.8
133.10133	11.8
135.08012	12.9
135.11676	5.2
137.09589	4.5
139.11400	1.6
141.06927	1.7
142.07759	2.1
143.08568	14.7
145.06424	2.8
145.10112	23.5
147.08037	24.1
147.11702	7.7
149.09599	4.8
149.13278	2.1
151.11212	3.2
153.09047	2.4
156.40182	1.6
157.10114	12.9
159.08086	5.1
159.11703	8.1
161.09621	12.8
163.11180	5.6
165.09109	2.2
171.11641	4.5
173.09636	3.8
173.13266	3.8
175.11177	6.8
177.12712	3.2
181.10106	1.6
183.11690	2.0
185.09627	3.9
185.13211	3.0
187.11197	2.0
189.11215	16.6
189.12679	2.8
193.12285	4.1
195.11809	3.5
199.11282	3.0
199.14948	3.4
201.12833	3.9
213.12802	2.0
217.15891	4.9
219.13896	1.9
221.11597	1.7
227.12614	2.1
227.17935	6.3
237.16362	4.7
245.13774	2.0
245.18936	7.8
255.17439	14.5
273.18497	84.3
274.18848	5.3
285.18448	2.3
291.19580	17.0
295.12186	3.6
303.19400	10.5
319.15265	5.3
329.21194	2.0
347.14877	2.6
347.18283	4.6
347.22116	29.5
348.22354	2.9
365.19235	100.0
365.23355	32.9
366.19467	5.0
366.23434	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2325
Annotation	10,11-Dihydromicroglossic acid
Peak:m/z	Relative Intensity
55.01886	5.9
55.05516	6.8
55.85388	2.3
57.03173	4.2
57.03437	40.2
57.07078	2.6
64.97816	3.5
65.03918	5.4
67.05505	42.3
69.07069	6.0
69.10015	16.5
71.05009	4.3
73.89379	2.4
74.75993	2.1
79.05497	20.4
81.07052	23.0
83.08636	3.4
85.06542	34.7
88.02013	2.3
91.05492	23.2
93.07050	21.8
95.04970	57.4
95.08609	10.0
97.06576	3.6
105.07031	19.2
107.04958	6.3
107.08623	12.1
109.06527	42.3
109.10142	3.8
113.06013	100.0
114.06346	4.4
117.06993	11.3
119.08581	13.7
121.06516	9.7
121.10162	5.7
122.06844	3.4
123.08037	4.2
125.05802	2.8
129.07019	5.0
131.08559	14.8
132.08978	2.8
133.10149	8.2
135.08032	28.9
135.11703	7.2
135.38354	2.5
137.05876	3.0
143.08505	5.5
145.10143	8.8
147.08078	4.9
147.11710	3.2
149.09677	5.8
155.08537	2.5
157.10136	5.0
159.11662	6.7
161.09636	7.3
161.13350	3.3
163.11143	3.9
171.11700	3.0
173.13322	5.9
175.11142	3.8
185.13289	2.5
197.77238	2.8
199.14835	3.2
217.15862	13.3
233.15388	4.2
236.13562	3.2
263.12564	11.1
267.17429	4.3
273.18469	23.4
285.18500	3.1
291.19534	29.7
313.17914	7.3
346.27646	3.8
347.22269	3.5
347.27740	24.6
365.09988	4.5
365.18890	9.6
365.23099	56.4
365.28482	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.01875	21.6
55.05511	18.8
56.96548	3.1
57.03438	35.0
64.06133	1.9
64.91409	1.7
65.03930	3.3
67.05502	51.1
69.03434	4.1
69.07066	22.0
71.04998	7.5
71.22130	2.0
72.36779	1.9
77.03929	2.1
79.05495	60.3
79.05949	3.1
81.03418	5.4
81.07058	60.4
83.04982	5.8
83.08633	9.3
85.06541	5.6
91.05477	48.5
93.07045	41.4
93.07607	3.1
95.04974	39.8
95.05531	1.3
95.08614	21.4
96.05346	1.7
96.80850	1.8
97.06531	12.4
97.10165	6.4
99.08108	5.0
105.04535	3.5
105.07028	32.4
107.04952	20.7
107.08592	32.1
109.06517	71.3
109.10138	9.3
110.06865	1.9
111.08099	3.7
113.05990	5.1
115.05436	3.3
116.06234	2.0
117.07013	21.9
119.06032	1.9
119.08578	24.5
121.06498	14.9
121.10139	11.8
123.08063	10.0
125.06033	1.7
125.09629	3.8
127.07580	2.6
128.06232	4.0
129.06999	16.7
131.08572	25.3
133.06497	8.0
133.10133	14.8
135.08051	67.5
135.09062	3.5
135.11685	10.2
137.09602	5.7
139.07556	2.3
141.07118	3.2
142.07751	2.3
143.08546	15.0
145.06512	2.1
145.10139	18.9
147.08040	16.1
147.11690	7.5
149.09615	17.2
149.13284	5.5
152.61995	2.1
155.08586	3.8
157.10129	12.2
159.08057	10.2
159.11673	11.6
161.09625	17.7
161.13275	2.6
162.10185	1.8
163.11195	10.4
165.12686	4.0
167.10728	2.4
169.10135	3.5
171.11708	6.6
173.09589	5.1
173.11839	2.1
173.13333	2.7
175.11105	11.3
177.12711	10.0
183.11740	5.6
185.09633	3.9
185.13341	4.9
189.11214	4.9
189.12723	3.4
194.87999	1.7
195.11803	3.8
199.11205	7.0
199.14870	5.7
201.12718	5.1
203.14244	3.3
205.12231	4.1
209.13611	2.0
213.12703	1.6
214.20415	1.7
217.15903	22.1
219.13902	2.3
221.15419	1.8
223.13313	4.5
227.17943	2.3
229.07574	2.4
237.16502	3.0
243.09079	2.2
245.18994	10.2
251.12555	11.6
255.17523	11.5
263.20279	1.9
273.18478	100.0
274.18903	8.7
291.19583	24.7
297.16989	1.6
309.20563	2.4
347.18524	3.6
347.22137	18.0
348.22659	2.0
365.19269	81.0
365.23312	65.6
366.19922	7.8
366.23593	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	365.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.8
53.53117	1.2
55.01876	8.2
55.05291	1.8
55.05517	19.4
57.03441	100.0
57.07077	2.6
57.47413	1.1
59.05027	1.3
59.35084	1.2
65.03946	2.9
67.05508	52.1
69.03427	4.0
69.07073	16.5
69.21474	2.6
69.21874	4.1
71.04987	3.8
75.14563	1.1
77.03937	1.8
79.05499	48.5
81.03436	4.5
81.07061	88.9
83.04986	10.8
83.08635	7.6
83.09032	1.2
85.06539	9.0
91.05487	42.0
93.07050	31.0
94.65354	1.2
95.04988	10.8
95.08611	35.9
95.09219	2.1
97.06544	11.4
97.10181	3.4
99.08106	3.2
100.11551	1.2
103.07402	1.2
105.04508	2.6
105.07040	33.9
107.04966	15.3
107.08603	18.5
108.08887	1.4
109.05769	1.9
109.06520	35.3
109.10145	8.2
111.04436	1.8
111.08079	5.4
113.06030	3.8
117.07026	11.3
119.08587	27.1
121.06531	6.3
121.10140	14.3
123.08064	7.7
123.11751	5.7
125.06064	3.1
125.09605	3.1
127.07561	69.8
128.06252	1.5
129.05511	1.7
129.07013	5.7
131.08562	14.4
133.06516	3.3
133.10135	8.8
135.08060	15.9
135.11719	4.5
137.05963	2.6
137.09641	4.5
141.06946	1.8
142.07767	1.8
143.08543	5.8
145.06473	1.4
145.10150	8.4
147.08060	5.9
147.11673	18.9
149.09622	4.8
151.07500	1.3
151.11205	2.0
157.10106	6.2
159.11700	5.1
161.09596	6.6
161.13351	2.1
163.11235	2.9
165.09157	2.2
165.12749	8.1
169.10365	1.5
171.11737	3.4
173.11847	2.3
173.13292	4.6
175.11206	4.7
175.14856	1.3
177.12737	3.5
179.10785	1.4
183.11844	1.6
185.13271	2.2
189.11258	2.0
189.16278	1.4
191.14336	2.4
193.12270	4.0
199.14836	2.7
201.12817	1.9
217.15857	7.1
227.17972	2.5
235.16887	8.0
237.16460	1.8
245.19012	3.7
248.52954	1.2
255.17580	1.6
263.20093	1.6
273.18500	24.6
274.18820	1.9
291.19562	73.8
292.19937	4.8
347.21951	3.2
364.33456	3.5
365.23224	68.8
366.23456	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01878	7.8
55.05263	2.0
55.05512	30.1
57.03434	10.5
59.04991	1.7
62.17600	0.9
62.24638	0.8
65.03938	1.1
67.05506	31.3
69.03432	12.3
69.07071	43.2
69.96507	2.9
70.07404	0.9
71.05002	1.5
77.69758	0.8
79.05499	28.7
81.03432	5.1
81.07057	23.8
81.07426	0.5
83.04527	1.3
83.04980	14.2
83.08624	11.0
91.05482	15.5
93.07048	18.3
95.04968	9.2
95.08605	12.7
97.02900	17.0
97.06531	3.3
97.10168	18.9
97.10745	1.7
105.04527	1.6
105.07032	9.9
107.04956	8.9
107.07913	1.6
107.08591	15.1
109.06499	3.7
109.10172	9.8
111.08104	1.9
112.19788	0.9
114.63825	0.9
115.05454	1.0
117.07024	8.5
119.04953	1.1
119.08566	10.9
121.06527	2.6
121.10151	6.5
123.04418	1.3
123.08106	4.3
123.11726	1.3
123.88812	0.8
125.09634	13.7
129.07042	2.6
131.08577	6.3
133.06522	2.2
133.10132	5.4
135.08067	4.6
135.11673	3.8
137.09650	2.9
141.87923	0.8
143.08565	2.5
145.10106	6.3
145.62071	0.9
147.08055	5.0
147.11742	4.1
149.09679	2.1
149.13249	1.5
151.11156	1.2
153.09099	1.0
157.10118	1.9
159.08150	1.1
159.11720	3.0
161.09605	2.4
161.10909	1.0
163.11269	2.1
165.09177	3.1
171.10184	1.6
173.13200	1.2
175.11203	1.9
177.12761	2.1
189.11224	8.8
195.13808	2.5
205.12280	3.6
223.13286	33.2
227.12784	1.9
245.19072	2.8
255.17172	1.2
261.18304	0.9
263.20117	1.6
268.04370	0.9
273.18570	13.3
291.19547	100.0
292.19958	6.4
347.22040	1.8
365.23203	60.2
366.23520	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	365.231
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
50.31224	0.8
52.05873	0.7
53.84039	0.9
54.40135	0.7
55.01869	2.7
55.05511	3.0
57.03428	2.6
62.68394	0.7
64.97820	1.7
67.05513	4.9
69.03431	1.0
69.13729	1.4
69.14135	4.3
70.66009	0.9
75.00867	0.7
79.05502	5.4
81.07060	12.7
83.04974	3.9
83.76470	0.8
85.02897	1.8
89.76047	0.8
91.05492	3.0
93.07016	4.5
95.04971	2.4
95.08607	2.4
97.06498	1.1
97.10177	1.3
98.23471	1.2
99.04476	1.6
105.07032	4.3
107.04948	1.3
107.08598	2.7
109.06535	4.8
109.10159	1.7
111.04457	3.9
111.08110	1.7
116.77871	0.9
117.07030	2.3
119.08582	5.0
119.17078	0.8
121.06492	1.6
121.10162	2.2
123.08052	1.7
125.09607	1.2
129.06985	1.0
131.08536	2.5
133.10110	1.7
133.41811	0.7
135.11694	1.4
137.09610	1.0
145.10135	2.6
147.08040	1.4
149.09608	1.3
153.12735	1.1
161.09616	2.0
163.11229	2.3
165.09151	1.5
166.53180	0.7
173.13242	1.1
181.12216	1.9
185.55190	0.7
189.11237	2.2
191.10722	1.0
195.09969	2.1
201.67627	0.9
203.14342	1.1
205.08368	5.4
223.13226	0.9
239.12703	0.8
263.12543	1.6
273.18512	4.1
274.18951	0.8
289.17813	1.1
291.19571	8.5
312.07272	0.8
322.98474	0.8
347.27875	4.3
352.75336	0.8
365.19345	5.3
365.23022	100.0
366.23386	7.8
386.90723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.2
57.07071	8.5
59.05011	3.6
64.97832	5.0
67.05491	17.0
69.03438	5.2
69.07062	12.2
69.09973	17.7
69.38360	3.4
71.05000	4.1
74.70637	3.9
79.05498	22.7
81.07056	22.3
83.04988	4.9
85.06530	9.2
91.05471	28.2
93.07049	34.9
95.04974	33.8
95.08607	19.4
97.06537	8.0
105.07032	45.1
107.08595	31.2
109.06540	7.8
109.10160	14.7
115.05493	3.7
117.07038	14.8
119.08593	42.4
121.06532	5.5
121.10141	24.4
123.08093	5.7
123.11729	4.6
128.06238	7.8
129.07008	13.4
130.07817	3.9
131.08569	29.7
133.10115	17.5
135.08038	9.5
135.11665	6.0
141.07004	7.3
142.07825	15.4
143.08588	32.4
144.09294	4.9
145.06464	3.0
145.10109	40.5
147.08051	4.9
147.11688	12.3
149.09633	10.5
149.13310	3.9
155.08534	20.0
156.09380	11.3
157.10146	33.9
158.10826	7.0
159.11743	17.3
161.09625	8.4
163.11230	3.8
163.83215	3.1
165.06955	5.8
166.07829	3.5
167.08598	5.2
168.09377	4.7
169.10143	20.2
170.10968	3.9
171.11716	19.6
173.09665	6.5
173.13278	39.1
174.13565	3.9
175.11273	5.2
177.12775	3.9
179.08548	6.4
180.09383	3.6
181.10147	9.1
182.10893	8.0
183.11700	22.4
185.13249	9.4
187.11218	4.6
189.68434	4.0
191.08612	4.5
191.14310	24.7
192.09311	7.3
193.10170	16.9
194.10881	7.3
195.11720	25.0
196.12534	3.9
197.13286	14.8
198.13747	3.2
199.14886	5.7
201.12761	11.4
205.10103	5.6
206.10944	8.6
207.11687	20.2
208.12479	7.6
209.13229	12.2
211.14835	12.0
213.12718	4.2
213.16231	4.3
216.15089	4.5
219.11650	6.8
220.12427	5.9
221.13261	13.0
222.13885	3.6
223.14824	9.5
225.12791	6.7
227.14325	4.9
229.16043	3.9
233.13260	6.4
234.13988	5.5
235.14818	4.8
237.16388	7.5
247.14809	4.8
248.15585	5.0
249.12752	4.7
249.16405	10.9
251.18022	3.8
253.15837	4.4
255.17479	4.7
263.17871	8.5
264.18445	4.4
265.16037	6.6
265.19321	3.8
267.17554	3.2
269.18790	3.6
273.16269	3.9
281.19101	6.3
282.19565	5.3
291.17520	4.3
329.22684	3.8
337.25333	5.0
347.23468	25.9
365.20581	26.8
365.24768	100.0
366.25153	12.2
376.89240	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	365.2689
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
55.01873	3.6
55.05508	17.9
57.03446	3.2
57.07075	11.1
59.04981	2.3
65.03931	0.9
67.05506	21.1
69.03440	1.8
69.07069	68.4
69.19986	3.7
69.20394	1.6
71.04999	6.9
71.08628	3.7
73.06561	4.1
79.05499	19.0
79.22842	1.0
81.07057	26.0
82.07368	1.0
83.04972	7.6
83.08618	15.5
85.06538	8.5
87.08129	1.0
91.05489	7.8
93.07044	27.6
93.07607	2.0
95.04973	2.9
95.08605	24.5
97.05885	1.3
97.06525	26.1
97.07118	1.8
97.10179	1.5
99.08107	1.2
101.06007	2.2
105.04509	1.0
105.07038	5.6
107.08595	32.4
108.08942	1.0
109.06528	14.0
109.10162	10.3
111.08070	8.7
111.11712	6.4
115.07549	2.0
117.07033	1.6
119.08582	6.6
121.06496	0.9
121.10140	8.0
122.07317	1.2
123.08076	11.0
123.11686	1.6
125.13297	1.0
131.08592	2.6
133.10144	4.2
135.08055	27.0
135.11694	44.8
136.08344	1.2
136.12016	1.4
137.09642	1.1
137.13290	2.4
142.07814	1.0
143.08588	1.6
145.10121	4.7
147.11720	2.4
148.08763	1.0
149.09590	2.0
151.07545	3.4
153.12738	27.0
154.13094	1.8
157.10110	1.0
159.11615	1.3
161.09595	2.1
161.75034	1.1
163.11182	5.0
165.12743	19.6
167.14380	4.4
177.12738	17.0
179.14363	4.8
181.12248	4.3
185.13255	1.2
193.12209	4.7
199.13345	1.9
201.14784	3.1
205.15930	1.6
217.14334	31.8
218.14662	0.9
263.20084	4.3
291.19568	1.4
305.21347	1.0
319.26306	1.5
337.27249	1.5
347.25818	100.0
348.26175	9.1
365.13660	3.0
365.19763	1.4
365.26923	19.5
366.27081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29305	3.4
54.94339	3.0
55.01873	4.1
55.05509	23.8
57.03442	4.2
57.07078	81.4
59.05008	29.5
59.39253	2.7
67.05503	26.0
69.07071	57.6
71.04994	4.5
71.08643	3.4
71.46592	3.2
73.06540	3.2
79.05508	20.9
81.07057	33.1
82.86372	3.4
83.04994	9.7
83.08623	10.3
85.06545	47.9
86.09711	3.3
91.05492	11.3
93.07055	27.9
95.04967	6.1
95.08611	32.8
97.06531	20.1
105.07043	8.8
105.58549	3.7
107.08605	27.7
109.06522	24.2
109.10171	13.3
111.08079	9.9
111.11691	3.9
111.47558	3.1
115.11202	6.4
117.09145	2.7
119.08592	12.3
121.10165	8.8
123.08077	18.1
125.05994	3.9
128.07590	3.3
131.08618	4.4
133.10133	6.3
135.08057	31.2
135.11710	33.4
137.13164	3.1
138.34842	3.0
145.10182	8.7
147.11676	3.5
151.07591	4.1
153.12724	22.8
157.10158	3.5
163.11127	5.7
165.12807	16.2
167.14320	5.8
177.12756	17.2
179.14323	5.5
181.12357	3.7
191.47684	3.2
193.12144	3.7
211.37114	3.6
217.14287	25.3
234.73399	3.5
263.20071	42.6
263.24570	3.5
279.19656	7.1
279.56653	3.2
329.24738	3.9
337.27249	3.3
347.25830	100.0
348.26169	6.5
364.57498	4.2
365.10611	7.6
365.15070	13.6
365.20404	99.2
365.26785	13.8
366.15146	3.9
366.20978	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	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.01863	1.6
55.05516	5.9
57.07077	65.0
58.07408	1.3
64.63857	1.2
65.27163	0.9
67.05502	5.3
69.07076	6.3
71.08653	1.3
79.05485	5.0
81.07056	8.7
83.04983	2.3
83.08594	1.3
85.06542	41.0
85.07061	2.2
90.51778	1.1
91.05481	4.8
93.07066	6.1
95.08630	8.3
97.06541	2.5
105.07028	3.0
107.08595	7.5
108.79749	1.1
109.06514	16.4
109.07208	1.4
109.10162	3.4
111.04427	2.2
111.08112	1.7
119.08571	2.9
121.10147	3.9
123.08049	8.0
131.51021	1.1
133.10144	2.9
135.08047	11.0
135.11678	3.0
137.05956	1.2
143.08553	1.2
145.10106	1.6
148.95508	1.1
149.09642	1.7
151.07562	5.6
152.08319	2.6
157.10092	1.2
165.09108	14.1
165.12825	1.4
166.09796	1.1
175.11185	1.3
177.12744	2.9
179.10706	1.6
195.12210	1.3
195.13864	2.4
208.14632	2.3
221.15363	1.9
263.20074	40.9
264.20425	3.1
279.19528	4.9
291.19568	2.3
305.24777	3.5
319.26230	4.0
337.27368	1.9
347.25818	73.8
348.26041	5.2
365.13913	2.9
365.26868	100.0
366.27258	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	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
50.30276	0.3
52.02922	0.3
55.01870	0.4
55.05517	0.8
57.07090	2.1
60.38602	0.4
64.97836	0.4
65.99556	0.3
67.05507	1.3
69.07074	1.9
69.40414	0.8
69.40806	0.6
69.54688	0.3
71.05027	0.4
71.08640	0.8
79.05496	0.8
81.07055	1.9
83.05000	0.4
83.08627	0.8
84.83310	0.4
85.06534	1.0
91.05487	0.9
93.07065	1.3
93.44051	0.4
95.05004	0.6
95.08609	1.3
97.06512	0.8
99.08128	0.4
105.07037	1.0
107.08627	1.1
109.06516	1.5
109.10165	0.5
111.08059	0.4
111.25306	0.3
119.08558	0.7
121.06483	0.6
121.10172	1.1
123.08047	2.2
124.08847	0.9
125.06050	0.5
131.08609	0.4
133.10135	0.9
135.08051	1.4
135.11691	0.7
137.05978	0.3
137.09706	0.5
145.10193	0.7
147.11765	0.5
149.09608	0.6
151.07530	2.0
151.11177	0.4
152.08340	4.3
152.90721	0.3
157.10094	0.3
159.11729	0.4
161.09651	0.5
165.09122	6.5
165.10413	0.5
165.12801	0.5
168.73776	0.3
173.13249	0.4
175.11192	0.3
177.12712	0.9
179.10721	1.1
181.12335	0.4
194.12988	2.4
207.13811	1.2
221.15463	0.4
235.17021	0.6
249.18503	1.3
263.20087	1.3
271.38995	0.3
319.26328	1.3
329.24603	1.1
347.25830	16.7
348.25946	1.6
365.26871	100.0
366.27191	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	365.269
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
52.28436	0.3
52.94697	0.4
55.05501	1.5
57.03426	0.5
57.07078	16.1
63.72470	0.4
64.46425	0.4
67.05510	2.7
69.07069	1.6
70.10351	0.9
71.08633	1.6
79.05489	1.3
81.07052	3.5
83.04988	0.5
83.08625	0.5
85.06549	8.5
85.10172	0.8
91.05481	1.3
93.07046	2.0
95.05009	0.5
95.08610	4.1
97.06551	0.6
97.10179	0.5
98.98463	2.7
105.07034	0.9
107.08583	2.0
109.06514	3.6
109.10165	1.6
111.08096	0.6
119.08567	1.2
121.10138	1.2
123.08080	4.3
123.11665	0.6
124.08833	1.2
133.10072	0.5
135.08034	2.8
135.11769	0.7
137.06013	0.9
137.09619	0.4
137.13164	0.4
138.60915	0.4
139.07571	0.5
147.11665	0.6
150.34732	0.4
151.07547	3.6
152.08351	5.6
155.01048	4.2
159.11586	0.5
161.09596	0.5
165.09126	7.8
165.12766	0.8
166.09828	0.6
177.09204	0.5
177.12791	0.7
179.10733	2.1
181.12180	0.4
191.14291	0.5
193.12175	0.4
194.13014	3.2
195.13768	0.6
203.05295	0.4
204.77200	0.4
207.13844	1.3
211.20605	0.9
232.58847	0.4
235.16927	0.9
249.18607	0.8
263.20056	9.2
263.22729	0.6
264.20334	0.5
264.82120	0.4
268.18210	0.6
272.94888	0.4
277.21735	0.4
279.19638	1.0
291.19839	0.9
307.26303	0.8
319.26425	1.1
326.33145	0.4
333.20670	0.4
337.27216	0.5
347.25824	20.7
348.26126	1.6
365.26886	100.0
366.27231	9.2
366.33649	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	Vitetrifolin F
Peak:m/z	Relative Intensity
50.74403	1.1
53.03936	1.3
55.01877	3.2
55.05511	12.1
57.03438	3.2
57.07076	99.0
58.07395	1.6
59.04997	2.1
67.05505	17.9
69.07068	45.9
70.06740	1.9
71.04996	3.9
73.06550	2.0
79.05490	15.3
81.07058	22.1
83.04976	6.0
83.08624	10.3
84.26751	1.2
85.06544	54.5
86.06886	1.4
86.09703	1.8
90.16367	1.0
91.05488	6.7
93.07043	22.1
95.04963	2.1
95.08610	20.4
97.06538	18.2
98.23509	1.0
99.08080	1.3
101.05998	3.1
102.44907	1.0
105.07006	4.9
107.08595	20.5
109.06517	27.1
109.10155	8.2
111.08052	7.1
111.11710	4.2
115.05463	1.1
117.07003	1.1
119.08587	4.5
119.34585	1.1
121.10182	6.2
123.08058	8.5
123.11652	1.2
130.97145	1.1
133.10118	4.1
135.08055	30.1
135.11699	30.1
136.12025	1.3
137.09689	1.1
140.59940	1.2
143.04900	1.8
145.10112	5.1
145.62735	1.0
147.11664	3.1
149.09627	2.4
149.13286	1.5
151.07538	4.9
152.98096	1.0
153.12743	19.8
154.13083	1.3
159.11729	1.7
161.09619	2.5
163.11186	3.2
165.12749	12.5
167.14357	3.2
177.12755	10.9
179.14325	3.3
181.12215	3.4
191.14294	2.0
193.12280	3.7
195.13786	2.4
205.15916	1.8
217.14363	18.0
235.20567	1.1
245.16521	1.5
245.18985	1.2
261.18411	1.2
263.20068	51.0
264.20496	3.7
279.19501	6.2
281.21295	2.2
283.21594	1.2
291.19495	1.9
305.83746	1.2
319.26294	1.1
329.24771	2.8
332.73337	1.1
337.27307	4.5
347.25809	100.0
348.26154	10.2
365.11026	1.6
365.17139	3.9
365.20630	54.3
365.26834	19.5
366.20996	4.1
366.26959	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2689
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
55.05508	0.5
57.07079	1.6
67.05503	0.7
69.07065	0.9
69.26449	0.6
69.26859	0.7
71.08643	0.2
74.16446	0.2
79.05509	0.5
81.07060	1.0
85.06531	0.4
90.34483	0.2
91.05479	4.2
93.07046	0.6
95.08605	0.7
105.07027	0.5
107.08588	1.0
109.06522	1.0
119.08601	0.6
123.08064	2.5
123.11707	0.3
124.08856	1.5
130.92120	0.2
133.10132	0.4
135.08043	0.6
135.11694	0.5
137.06021	0.4
137.09564	0.3
139.07552	0.3
145.10033	0.3
151.07527	2.6
152.08337	5.3
156.32370	0.2
161.13374	0.2
165.09109	7.9
165.12683	0.3
166.09795	0.7
177.12781	0.5
179.10648	1.6
181.12244	0.4
194.13036	3.3
194.14653	0.3
195.13638	0.6
203.05244	0.3
207.13742	1.3
235.16927	0.4
249.18526	0.7
263.20111	1.1
277.21616	0.3
305.24747	0.3
319.26318	1.1
323.49026	0.2
341.93222	0.2
347.25793	15.9
348.26074	1.5
365.26859	100.0
366.27261	9.8
378.84924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2688
Annotation	10-Deacetoxybarbilycopodin
Peak:m/z	Relative Intensity
53.55117	0.7
55.05486	1.8
57.07080	12.4
66.66018	0.7
67.05470	2.1
69.07029	2.6
69.42441	0.7
69.77561	0.6
71.04971	0.7
71.08607	1.4
71.46484	0.7
79.05472	1.3
81.07035	1.8
85.06547	6.1
85.10162	0.9
89.05979	2.0
91.05438	3.3
93.06979	2.1
95.08566	3.0
97.06480	0.8
105.06994	1.1
107.08559	2.2
109.05875	0.9
109.06527	11.7
109.10130	1.0
119.08546	1.1
123.08030	2.8
135.07973	1.1
135.11653	1.1
137.05928	1.0
137.09529	0.9
147.07938	0.9
151.07547	5.1
151.09619	0.9
152.08310	1.2
165.09186	4.2
193.12187	1.0
263.20068	100.0
264.20346	7.1
305.24747	1.4
319.26395	1.8
347.25818	14.2
348.26318	1.0
365.10312	0.8
365.26913	38.2
366.27332	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	366.0725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96284	1.8
56.96566	29.4
60.45568	0.8
70.06595	1.8
71.95255	1.0
72.67031	0.8
84.96040	10.5
97.96757	1.1
98.97583	100.0
100.05806	0.9
110.07170	1.5
110.97571	83.9
112.99156	5.4
116.98624	62.1
121.06512	1.7
128.98608	99.8
131.00165	6.8
134.98694	1.8
134.99654	21.8
136.06149	5.3
140.98576	3.5
143.00154	1.5
144.98094	2.1
146.99649	48.8
149.01228	5.0
152.00203	1.3
153.00728	3.5
158.99623	2.4
161.01308	1.2
162.99205	2.5
165.00713	3.3
170.01204	2.0
170.99646	5.6
174.00909	3.6
182.99626	2.1
189.00719	13.4
192.01923	66.2
201.00737	5.3
207.01727	2.4
210.02983	50.5
220.01428	5.0
222.03148	1.7
228.03984	4.8
234.02960	26.0
236.10587	1.5
238.02478	4.2
239.41116	1.1
246.03000	34.3
248.04539	4.3
249.02818	3.3
252.04120	14.2
253.04065	0.9
264.04031	12.4
266.05493	1.3
275.05603	0.9
306.05228	2.6
324.06140	30.7
325.06311	2.3
342.07217	31.9
343.07327	1.3
366.07199	71.3
367.07266	4.4
384.08313	18.5
385.08170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02283	0.6
50.33680	0.5
50.99126	0.4
70.36222	0.9
82.99902	0.7
86.09724	0.5
98.22790	0.4
98.97599	0.9
101.00903	0.5
110.03551	0.6
112.30795	0.5
116.98594	0.7
119.01913	1.4
128.04561	0.7
137.02905	0.4
149.03120	0.8
167.04137	3.3
175.03450	1.0
177.00948	1.3
188.36356	0.4
192.03659	16.7
193.03781	0.7
197.96803	0.5
203.05244	1.0
204.05647	1.0
207.02408	1.6
210.04729	68.4
211.03104	0.9
211.04895	4.1
217.02109	0.5
219.02107	2.4
219.36697	0.5
225.03384	3.2
228.05841	8.8
229.05928	0.7
233.06277	0.6
234.04716	68.7
235.03072	1.2
235.05026	4.3
243.01952	0.9
252.05780	100.0
253.06041	7.7
259.00024	1.0
260.00168	0.5
261.03073	5.7
270.06805	5.4
271.07126	0.6
275.07330	2.1
277.01050	1.1
283.00046	3.7
284.00061	1.3
301.01089	5.1
302.01138	1.4
325.00729	1.0
341.31696	0.5
342.95135	0.7
343.02209	3.3
344.02029	0.7
366.00711	0.6
366.11130	5.0
367.09891	1.5
384.09967	1.6
385.03146	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.1
55.01868	6.6
55.05514	3.8
56.53101	2.3
57.03440	7.3
59.09959	2.5
61.02925	9.0
67.05492	4.3
68.99770	2.8
69.03428	35.6
70.91904	2.7
71.05006	5.8
73.02912	5.9
81.03423	25.3
85.02910	100.0
87.00829	44.0
91.05486	2.6
95.04977	3.5
97.02895	32.0
99.04473	18.4
105.01872	78.3
105.06994	2.8
108.04550	2.8
109.02881	24.7
109.10162	3.3
111.08095	3.0
127.03919	71.4
128.04352	2.7
145.04961	38.3
150.46802	2.4
152.07103	3.0
153.07437	3.4
159.02872	12.6
165.00208	2.2
169.05005	2.9
173.11552	2.9
178.03227	6.6
191.10593	2.9
194.08182	4.5
209.11702	2.9
213.03979	3.2
213.09564	2.8
231.04959	25.8
249.06030	9.5
283.05978	8.8
295.11716	5.4
308.60892	2.4
366.23431	4.0
367.17184	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	366.1771
Annotation	isopentenyladenine-7-N-glucoside
Peak:m/z	Relative Intensity
53.03932	0.3
55.01868	0.3
57.03426	0.6
61.02919	0.6
69.03426	2.7
69.07058	4.2
71.04980	0.2
72.76270	0.1
73.02905	0.4
81.03419	0.9
81.07040	0.4
85.02904	3.2
86.09690	0.7
87.04464	0.5
87.42971	0.2
93.06998	0.3
94.04053	0.2
95.08590	0.2
97.02884	2.1
99.04469	0.4
107.08611	0.2
109.02867	0.4
119.03545	0.7
119.04931	0.6
120.08067	0.3
121.02867	1.3
123.00793	0.4
123.11667	0.3
127.03908	0.5
127.75256	0.1
128.10701	0.2
136.06177	100.0
137.04535	0.4
137.06674	1.6
141.01823	1.0
148.06168	12.7
149.06644	0.2
158.03151	0.1
165.01828	7.7
173.12868	0.7
178.07271	0.5
183.02879	2.3
198.99780	0.2
204.12428	58.1
205.12781	2.5
246.13507	0.2
271.05972	2.0
283.05988	43.7
296.06613	0.2
298.11615	0.2
298.21866	0.2
310.11435	0.2
321.07632	0.4
335.09167	0.2
349.06903	0.4
366.17697	47.5
367.08133	3.2
367.17966	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	366.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.05513	100.0
56.05847	2.2
58.93684	1.6
65.49796	1.6
65.50141	1.9
67.05511	5.7
67.37167	1.5
69.03410	2.5
71.04824	1.4
74.51613	1.6
75.31066	1.5
79.05486	2.5
81.07067	21.1
83.04987	12.5
85.02901	5.7
91.05483	6.8
93.07040	14.3
95.04987	3.8
95.08633	1.7
97.06532	31.6
105.07029	12.9
107.08595	28.6
109.06512	3.9
109.10165	15.8
121.10150	2.5
123.11708	12.0
133.10138	22.1
145.04944	2.1
151.11188	61.5
210.35123	1.6
304.92670	1.6
324.75876	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.2
55.05518	0.6
56.69580	0.5
57.03440	6.2
60.04520	1.3
61.02925	0.7
63.06158	0.6
64.13670	0.5
64.25175	0.5
67.05511	0.7
69.07071	56.7
69.73946	1.7
70.07391	0.5
70.22432	0.5
76.55252	0.5
81.07066	1.1
85.02901	4.7
97.02904	1.0
97.06533	13.5
97.07117	1.1
98.06914	0.7
99.04453	2.0
107.08627	0.6
109.10146	2.0
115.07581	1.2
117.05527	0.7
125.09611	0.8
127.03893	0.7
127.07568	1.1
127.11195	18.4
145.04961	0.9
169.12244	100.0
170.12540	3.8
184.30537	0.5
200.22289	0.6
366.28290	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
55.05512	2.2
55.91782	0.7
57.03427	1.4
57.39320	0.7
59.94681	0.6
61.71745	0.6
67.05498	12.4
69.03420	2.9
69.07073	4.4
69.57961	1.2
69.58326	2.8
71.05011	1.7
79.05495	3.6
81.03401	1.2
81.07059	13.9
81.07513	1.5
83.04967	2.5
83.08607	0.9
85.02910	6.3
85.06528	2.2
86.09753	1.0
91.05473	13.4
92.05809	0.9
93.07031	8.1
95.04946	1.0
95.08604	2.6
97.02889	2.5
97.06526	2.7
105.07029	20.2
107.08594	28.4
108.08966	0.9
109.06534	1.6
109.10158	44.4
110.10519	1.3
111.08103	1.2
123.08083	0.9
123.11703	6.7
127.03920	2.1
127.07584	0.9
131.08563	1.5
133.10126	85.8
134.10463	3.1
145.04881	0.9
151.11177	100.0
152.11526	4.1
169.12241	60.2
170.12581	2.2
182.42561	0.7
187.13289	40.3
188.13673	1.7
221.08005	2.0
250.09575	0.8
287.42465	0.7
366.23785	1.5
366.28226	1.5
367.13290	2.5
367.17236	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	366.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14503	4.2
55.05516	5.1
55.71073	3.7
67.05506	8.4
69.03432	6.6
69.07066	7.4
70.06557	3.6
71.05005	8.4
71.45683	3.4
73.31921	3.6
79.05448	3.9
81.07048	31.3
83.04978	8.0
85.02914	14.2
86.09705	8.7
89.05448	3.7
93.07047	11.2
95.08612	70.4
98.29736	3.9
99.04466	11.2
101.06040	5.7
105.07024	3.8
107.08598	5.7
109.02876	4.9
109.10156	31.2
111.04436	7.3
113.06001	12.0
119.05725	3.4
120.08086	8.2
123.11708	60.8
127.03950	3.7
133.10147	11.4
137.66733	3.8
151.11176	49.1
169.12234	100.0
170.12494	4.0
173.12849	12.5
185.08095	10.9
194.07474	3.6
201.12450	4.4
203.05472	4.6
203.09143	16.6
207.11308	4.9
212.94994	4.1
221.48630	4.5
296.06848	14.5
308.07449	5.0
324.06284	17.0
331.13925	8.7
339.08676	13.2
367.07962	38.6
367.11890	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	366.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27935	1.2
59.53416	1.2
60.91071	1.1
61.53437	1.1
63.54785	1.4
67.05496	2.4
69.07051	2.7
70.32592	1.3
70.32906	2.3
79.05492	4.4
79.79686	1.3
80.80872	1.2
81.07060	2.2
83.08595	1.3
84.99799	1.3
91.05494	4.0
93.07059	4.7
95.08602	3.7
99.04439	1.8
105.07027	100.0
106.07364	2.7
107.08611	3.1
109.06508	1.6
110.17499	1.2
118.73163	1.3
119.08566	13.4
121.10155	3.3
131.08563	3.2
133.10121	3.1
137.05997	1.6
145.10072	1.5
147.11719	2.1
148.30203	1.2
152.53583	1.4
153.09106	2.5
159.76968	1.2
167.10587	1.9
173.13234	1.9
175.11218	1.4
182.39569	1.3
187.14812	2.2
190.73929	1.2
193.12227	9.9
229.12172	1.4
260.83847	1.3
285.18475	54.6
286.18692	3.0
313.17899	17.2
314.18515	1.3
331.19012	1.5
348.27859	1.3
366.19440	1.6
366.23322	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.05515	5.8
56.98888	2.1
57.03446	2.1
67.05513	10.1
69.07079	9.8
70.55457	4.0
79.05499	19.9
81.07066	28.5
83.08620	5.2
85.48816	2.3
91.05501	9.3
93.07029	13.6
95.08616	13.7
97.06542	4.8
98.97610	5.4
105.07037	31.4
106.31963	2.3
107.04977	8.5
107.08595	13.0
109.06567	4.1
109.10178	9.9
111.04449	61.0
111.11774	2.5
113.02357	2.6
116.98669	2.3
119.08590	36.5
121.10173	6.2
125.06007	26.9
129.05499	14.8
131.08600	8.2
133.06523	2.3
133.10136	22.3
135.11699	2.4
137.06026	3.5
145.10150	5.5
147.08144	3.0
147.11700	12.3
159.11700	2.8
161.09608	3.6
162.64503	2.3
173.13281	8.4
175.14835	90.3
175.16371	4.4
176.15160	3.4
185.13264	3.9
203.14346	34.6
221.15411	9.5
275.20163	7.4
293.21121	4.1
303.19720	2.5
326.19717	3.0
331.19043	100.0
332.19431	9.2
366.22870	6.0
367.24661	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.6
58.06589	1.6
67.05507	8.1
69.07068	2.8
69.92450	1.7
69.92785	3.0
70.06593	1.9
74.06088	4.4
79.05499	12.7
81.07053	16.3
83.08622	3.5
84.04532	1.7
86.06068	4.4
91.05505	4.2
93.07045	6.5
95.04981	15.3
95.08607	11.9
97.06546	7.9
98.23450	1.5
102.05556	6.8
105.07037	7.8
107.04967	3.7
107.08622	7.7
109.06544	2.2
109.10161	9.5
110.06049	1.8
110.09688	1.6
111.04452	3.5
111.08041	1.5
112.07573	1.4
117.07010	2.4
119.05018	1.3
119.08577	9.0
121.06526	1.6
121.10152	5.7
124.11242	1.7
125.05993	41.1
125.06920	2.4
125.60064	1.3
126.09114	1.5
131.08606	7.2
133.06479	1.8
133.10135	8.3
136.11256	1.3
136.65169	1.3
143.08542	2.3
145.10158	6.9
147.08081	1.6
147.11662	3.3
147.32199	1.4
149.05989	1.8
151.07605	2.6
156.44756	1.4
157.10139	2.3
158.10931	1.7
159.08035	2.6
159.11702	3.6
161.13211	2.0
163.07562	2.9
170.11792	4.0
171.11694	4.5
173.09605	2.2
173.13277	13.3
175.07675	1.4
177.09087	3.6
181.55771	1.3
183.11751	2.3
185.13210	2.0
189.09099	1.5
189.12802	1.7
199.11298	1.9
199.14726	1.9
201.12733	15.5
217.12309	3.4
217.15871	3.7
219.13806	50.7
220.14201	3.4
227.14322	2.3
235.13347	3.2
245.15393	12.3
263.16428	5.3
284.20135	2.2
286.18176	2.0
297.18631	2.1
302.21005	8.9
304.19131	2.8
322.19943	2.2
330.20566	5.9
348.21741	14.2
366.23065	100.0
367.20172	12.5
377.81952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	2.5
57.07080	34.8
62.86517	0.8
67.05500	1.4
68.49218	0.9
69.07057	2.3
69.43404	4.9
71.08633	27.5
73.06538	2.2
81.07049	1.5
82.66885	0.9
83.08620	1.9
83.29987	1.0
85.10184	17.5
87.04472	1.7
89.06034	100.0
91.05469	1.1
93.07041	1.4
95.04980	1.1
95.08601	1.5
97.10166	3.1
98.22626	1.1
99.08089	1.1
99.11758	2.8
107.07084	6.7
113.13295	1.6
123.37495	0.9
130.08640	2.0
130.91801	1.0
133.08609	33.6
136.11057	0.9
143.09486	0.9
151.09663	4.8
155.18004	1.8
177.11232	10.0
195.12292	46.5
196.12646	1.5
197.71510	1.0
199.20628	1.4
208.75459	1.0
243.23207	4.9
287.25583	1.3
293.21130	2.0
305.27023	1.2
349.29492	40.8
350.29962	4.0
367.24655	1.7
372.95520	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
56.96569	18.3
57.03448	1.6
69.07533	0.8
69.32641	1.8
69.33047	3.1
71.58978	0.9
72.08143	3.7
73.02895	1.2
81.56519	0.9
84.96037	3.1
85.02911	2.1
89.03922	1.3
91.05489	1.3
93.07050	3.1
97.02898	1.0
98.97594	22.3
107.04939	2.4
110.97557	6.7
111.04487	0.9
112.99145	1.5
116.98618	8.1
117.03374	2.3
119.04910	1.3
120.08129	2.6
124.99145	1.2
128.98595	6.3
131.00117	1.4
132.99614	1.2
134.99693	2.0
135.04420	0.9
136.06163	1.4
143.00154	6.0
145.02841	10.0
146.99667	3.4
147.04414	5.4
151.00620	1.2
158.99658	2.1
159.05898	0.9
161.01279	5.6
162.03151	1.2
162.98996	0.9
169.01756	3.0
169.12274	1.5
170.99551	1.2
175.03860	1.1
176.04700	1.0
177.00710	2.6
177.05482	14.7
179.02264	1.5
179.03745	1.0
189.00732	1.3
197.04895	5.3
201.00726	1.3
203.03827	2.4
205.01726	2.6
211.02808	1.2
215.05914	3.5
219.01834	5.3
219.06531	3.2
221.04840	1.5
223.02797	29.0
237.02856	6.7
238.32803	0.9
241.03838	38.7
242.04288	1.5
247.02661	1.2
251.09126	10.2
259.04926	2.7
265.03821	5.2
265.06799	1.5
283.04956	1.5
313.15472	1.4
350.15897	1.6
367.06992	100.0
368.07278	7.1
385.07916	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66815	0.6
53.03941	1.5
55.01867	0.9
55.05512	8.6
57.07067	2.3
58.01340	0.6
59.04988	1.0
59.89095	0.6
65.03933	1.7
67.05155	1.1
67.05505	17.4
69.03423	1.4
69.07068	6.4
70.30312	1.1
71.04996	0.8
79.05492	14.2
81.07057	46.4
82.07349	0.7
83.04966	0.7
83.08613	2.9
88.07632	1.2
91.05478	21.8
92.05783	0.9
93.07044	32.0
95.04967	7.1
95.08604	37.8
96.08907	0.8
97.06512	3.8
97.10167	0.9
99.04464	4.4
105.04518	1.5
105.07032	45.9
106.07336	1.2
107.08593	63.5
108.08923	1.8
109.06519	3.5
109.10160	12.1
111.08087	1.2
115.05463	0.9
117.07015	4.4
119.06084	2.4
119.08580	72.5
120.08946	2.5
121.06490	2.5
121.09272	1.0
121.10148	17.2
123.08069	10.7
123.11700	9.8
125.09621	2.7
128.06256	0.8
129.07062	1.3
131.08559	5.9
133.10130	46.4
134.10497	2.3
135.08032	2.3
135.11694	52.2
136.12027	1.0
142.07765	1.5
143.08546	2.9
144.09395	0.9
145.10118	5.2
146.07222	0.9
146.10918	0.8
147.08022	3.6
147.11687	23.3
147.56619	0.7
148.12044	0.9
149.02394	0.9
149.09612	1.1
150.02650	1.5
157.10144	4.7
159.11691	13.3
160.12337	1.6
161.09619	5.0
161.13257	44.3
162.13591	1.6
171.11687	1.6
173.13232	1.4
175.11176	3.7
175.14795	3.0
189.12871	3.7
189.16385	100.0
190.16652	5.6
193.04950	2.0
194.05251	2.0
199.14836	4.9
200.20096	1.1
201.20436	1.4
217.15886	19.0
218.16156	0.8
349.19769	1.6
367.17294	3.3
367.20901	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94906	1.7
69.22511	1.7
69.85783	4.8
89.03950	2.9
100.07654	2.7
117.03374	20.8
126.59556	1.9
135.04449	1.9
145.01697	3.4
145.02850	70.6
147.04378	3.1
149.06010	6.6
162.03154	5.4
170.32492	1.7
175.03947	2.5
177.05478	100.0
178.05872	2.6
213.10690	2.3
219.06509	15.0
251.09149	89.1
252.09537	3.7
301.88913	1.7
324.39825	1.7
350.15994	16.6
367.07285	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	367.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
61.17121	0.5
71.13638	0.6
74.56870	0.5
75.04484	0.6
82.12509	0.5
89.03904	2.4
100.07597	3.5
102.92361	0.5
107.59479	0.5
117.02563	0.9
117.03372	14.9
118.03689	0.8
118.17365	0.5
134.03679	0.6
135.04382	1.0
140.08334	0.5
141.34058	0.5
145.02847	63.7
146.03191	2.4
147.04398	0.7
149.05966	5.9
162.03133	6.0
163.03877	0.7
171.04404	1.1
173.02330	0.6
174.03139	0.9
175.03922	1.6
177.05469	100.0
178.05812	3.4
203.07065	0.8
215.07054	0.8
219.06516	11.7
251.09155	61.6
252.09460	3.5
252.56825	0.5
297.11316	0.6
311.46246	0.5
338.15851	2.3
350.15985	14.8
351.16159	1.0
367.18640	26.5
368.18927	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	367.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.8
70.64043	2.3
75.66212	1.3
85.05177	1.7
89.03896	3.5
100.07609	4.9
109.97848	1.4
115.24254	1.4
117.03374	15.7
138.06627	1.3
145.02852	64.9
147.04366	2.3
149.05971	6.4
162.03104	6.9
165.09419	1.4
175.03844	1.8
177.05478	100.0
178.05785	5.3
186.05618	1.4
219.06569	13.4
251.09148	81.1
252.09492	4.2
258.91263	1.4
286.43332	1.4
350.15955	13.8
367.19125	1.3
393.91595	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.8
56.96570	31.3
57.03425	2.9
67.05513	9.2
68.06985	2.3
71.95263	2.4
74.20805	2.1
79.05495	12.0
81.07064	19.5
88.77119	2.3
91.05486	3.6
91.67300	2.5
93.07050	5.5
95.08630	5.8
97.96780	2.9
102.78613	2.4
105.07032	3.2
107.08582	3.0
109.06621	2.5
110.97614	6.9
117.07030	2.6
119.08620	3.5
121.10117	2.5
125.40821	2.3
128.98639	9.3
135.08089	3.5
141.02167	2.9
146.99742	2.4
171.03387	3.3
173.04959	2.9
177.05902	2.3
183.03244	3.1
190.04451	2.7
195.06885	2.7
199.06421	7.4
209.08575	3.0
213.07982	11.2
217.07384	5.4
225.07942	6.3
226.05217	2.7
229.07489	15.2
231.09013	14.0
237.07993	3.3
239.09496	5.6
241.11177	6.8
243.09079	5.5
247.08563	9.1
251.09634	8.9
255.09059	11.2
257.10583	3.2
259.12262	5.0
269.10620	40.2
270.11063	2.5
273.10040	4.8
275.19940	3.3
280.09671	3.3
287.11713	14.1
297.10052	4.0
302.30673	2.3
315.11356	3.4
331.15701	14.3
336.24283	2.6
349.16727	21.6
350.17157	2.7
359.68088	2.8
367.17841	100.0
367.21088	87.0
368.17981	6.6
368.21844	4.3
385.18912	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93296	3.4
55.05510	9.0
56.96570	18.8
67.05500	3.9
69.07066	6.8
70.06623	3.9
81.07053	5.9
100.11266	14.0
107.08636	6.0
109.10172	6.2
111.04479	4.8
126.66042	3.3
168.13879	5.2
182.15536	4.8
196.13286	6.5
210.14973	8.0
239.09521	6.0
241.11327	8.2
259.12228	10.7
277.10980	3.6
281.14218	5.3
291.12650	13.7
309.13675	9.5
317.45746	3.5
331.15854	9.0
349.16876	15.4
367.17651	52.5
367.20972	100.0
368.17923	5.7
385.19223	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	367.2358
Annotation	JWH 018 4-hydroxyindole metabolite-d9
Peak:m/z	Relative Intensity
54.32573	0.3
55.01869	0.4
55.05517	0.9
67.05506	1.8
69.07074	0.7
69.18228	0.4
69.27456	1.8
71.08640	0.5
79.05484	1.6
81.07048	1.6
83.04996	0.4
85.06590	0.4
91.05484	0.9
93.07037	1.5
95.08593	1.2
99.08099	0.6
105.07026	1.4
107.04915	0.4
107.08598	1.2
109.06514	0.7
109.10171	0.7
119.08587	0.8
121.06445	0.3
121.10119	0.6
127.13467	0.3
130.86171	0.3
131.08595	0.5
133.10098	1.0
135.08043	0.3
151.11205	0.5
181.12277	0.5
183.76904	0.4
184.92149	0.4
219.17465	0.7
263.88876	0.4
275.19952	1.3
293.21030	2.3
305.21133	0.8
349.23660	0.6
358.12961	0.4
367.23572	100.0
368.19046	0.5
368.23862	9.4
368.31021	0.6
389.91080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46022	1.1
53.03933	1.8
53.43632	1.0
55.01869	5.5
55.05511	11.7
57.03438	12.6
59.05005	1.4
65.03948	1.2
67.05510	29.4
69.03438	1.8
69.07069	9.7
69.77146	1.8
69.77477	1.9
71.04987	3.5
71.08626	2.9
75.61047	1.1
79.05495	23.7
81.03401	2.5
81.07062	39.7
83.04987	4.4
83.08617	6.8
85.06557	3.5
91.05485	25.5
93.07050	19.6
95.04972	6.7
95.08607	19.7
97.06517	4.7
97.07066	1.1
97.10168	3.4
99.04519	1.0
99.08098	4.7
103.03926	1.5
105.07033	19.8
107.04932	5.1
107.08604	15.4
109.06535	7.5
109.10143	7.4
111.04469	2.2
111.08089	3.2
115.08469	1.1
117.07012	7.0
119.08588	16.4
121.06496	2.0
121.10163	10.1
123.08115	2.8
123.11726	3.7
125.09621	3.8
129.07014	2.8
131.07069	2.4
131.08577	13.5
133.10139	10.9
135.08054	3.0
135.11694	3.5
137.09627	2.5
137.13393	1.2
139.11200	1.2
143.08565	3.1
145.10120	7.9
147.11671	13.0
149.09665	5.3
149.13326	2.3
151.11168	2.7
155.10655	1.3
157.10106	2.4
159.11717	6.2
163.11174	3.4
165.12787	4.2
166.63988	1.1
169.10068	1.2
173.13304	3.7
175.11208	1.3
175.14780	1.7
177.12788	2.5
183.11664	1.9
185.13316	2.9
193.86461	1.1
195.09932	1.9
197.13425	1.5
201.16301	1.4
203.14272	1.6
219.17444	4.8
223.13165	1.8
227.48985	1.0
230.76260	1.2
239.17917	1.3
243.16272	1.4
247.20599	1.5
257.18921	5.0
267.15958	4.0
275.20071	23.2
276.20532	2.3
285.16956	1.6
293.21060	11.6
309.20618	7.1
316.93387	1.1
349.23645	12.5
366.09811	1.1
367.24600	100.0
368.24911	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	367.2457
Annotation	2alpha,3alpha-(Difluoromethylene)-5alpha-androstan-17beta-ol acetate
Peak:m/z	Relative Intensity
52.47113	0.7
64.49855	0.6
65.96227	0.6
69.04038	0.7
69.69495	1.6
69.69887	1.4
79.05497	0.7
81.07056	1.0
93.07051	1.3
119.08586	0.7
125.97241	0.6
131.08586	1.2
145.10252	0.8
161.97153	0.8
173.13284	2.5
195.09943	1.8
333.20798	1.0
367.12665	2.7
367.24582	100.0
368.24869	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	6.7
55.05513	18.1
56.96562	6.3
57.03447	12.7
57.07071	3.3
65.03983	2.2
67.05503	42.6
69.07069	32.1
69.51435	2.0
71.04996	4.2
79.05497	39.0
79.72771	2.4
81.03414	3.8
81.07061	100.0
82.07401	3.0
83.04991	6.8
83.08616	11.0
85.06548	6.0
86.80029	2.4
91.05477	30.8
93.07035	28.0
95.04972	10.3
95.08610	31.9
97.06555	11.6
98.97568	13.0
99.08095	5.2
105.07029	26.9
106.75286	2.3
107.04971	6.5
107.08587	18.6
109.06504	18.1
109.10172	10.1
111.04440	5.9
111.08067	3.4
112.04778	3.2
116.98625	11.6
117.07021	7.4
119.08575	24.9
121.06538	4.9
121.10158	16.3
123.08083	8.1
123.11716	7.0
125.06030	4.9
129.07021	2.7
131.08559	10.6
133.10136	17.2
134.10529	3.6
134.99666	3.8
135.11700	4.8
137.09633	3.6
145.10144	11.3
147.11699	24.2
148.12030	2.5
149.09586	5.6
149.13290	7.2
151.11212	2.3
157.10133	5.6
159.11716	6.6
161.09743	2.9
161.13260	5.5
163.11211	5.5
165.12746	6.4
173.13338	4.2
175.11203	3.4
175.14827	8.5
176.15135	11.7
177.12692	2.7
195.13826	2.8
203.14500	3.7
204.14647	3.5
207.13823	2.9
247.20624	3.4
254.72353	2.4
257.18973	5.2
275.20050	38.8
293.21100	12.3
319.27304	2.4
326.20001	13.2
332.19415	17.7
344.21158	3.6
349.23834	9.9
367.10468	2.5
367.14633	4.5
367.24710	80.9
368.25015	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	367.247
Annotation	Betaenone A
Peak:m/z	Relative Intensity
51.46022	1.1
53.03933	1.8
53.43632	1.0
55.01869	5.5
55.05511	11.7
57.03438	12.6
59.05005	1.4
65.03948	1.2
67.05510	29.4
69.03438	1.8
69.07069	9.7
69.77146	1.8
69.77477	1.9
71.04987	3.5
71.08626	2.9
75.61047	1.1
79.05495	23.7
81.03401	2.5
81.07062	39.7
83.04987	4.4
83.08617	6.8
85.06557	3.5
91.05485	25.5
93.07050	19.6
95.04972	6.7
95.08607	19.7
97.06517	4.7
97.07066	1.1
97.10168	3.4
99.04519	1.0
99.08098	4.7
103.03926	1.5
105.07033	19.8
107.04932	5.1
107.08604	15.4
109.06535	7.5
109.10143	7.4
111.04469	2.2
111.08089	3.2
115.08469	1.1
117.07012	7.0
119.08588	16.4
121.06496	2.0
121.10163	10.1
123.08115	2.8
123.11726	3.7
125.09621	3.8
129.07014	2.8
131.07069	2.4
131.08577	13.5
133.10139	10.9
135.08054	3.0
135.11694	3.5
137.09627	2.5
137.13393	1.2
139.11200	1.2
143.08565	3.1
145.10120	7.9
147.11671	13.0
149.09665	5.3
149.13326	2.3
151.11168	2.7
155.10655	1.3
157.10106	2.4
159.11717	6.2
163.11174	3.4
165.12787	4.2
166.63988	1.1
169.10068	1.2
173.13304	3.7
175.11208	1.3
175.14780	1.7
177.12788	2.5
183.11664	1.9
185.13316	2.9
193.86461	1.1
195.09932	1.9
197.13425	1.5
201.16301	1.4
203.14272	1.6
219.17444	4.8
223.13165	1.8
227.48985	1.0
230.76260	1.2
239.17917	1.3
243.16272	1.4
247.20599	1.5
257.18921	5.0
267.15958	4.0
275.20071	23.2
276.20532	2.3
285.16956	1.6
293.21060	11.6
309.20618	7.1
316.93387	1.1
349.23645	12.5
366.09811	1.1
367.24600	100.0
368.24911	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	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.0
55.01873	8.3
55.05515	26.5
57.03444	13.7
57.07080	2.8
59.54912	1.1
65.03947	1.3
67.05507	45.4
69.03441	3.7
69.07071	27.8
69.07448	1.8
69.71951	5.1
71.05009	2.0
71.08266	2.3
71.08636	31.5
79.05502	29.8
81.03431	5.9
81.07063	37.1
83.04988	7.3
83.08630	9.6
83.29201	1.2
85.02874	1.6
85.06557	3.7
89.91109	1.6
91.05487	29.9
92.05814	1.8
93.07043	26.1
95.04971	11.1
95.08611	21.8
97.02893	1.9
97.06527	4.5
97.10160	6.0
98.22745	2.7
99.08101	22.6
105.07040	20.6
107.04953	7.8
107.08599	21.0
109.06555	3.7
109.10165	18.1
111.04427	1.8
111.08113	3.3
111.38800	1.2
117.07038	4.6
119.08595	8.4
121.06520	4.7
121.10159	8.3
123.08098	4.9
123.11737	3.6
125.09627	6.0
131.08578	5.8
133.06448	1.4
133.10141	28.0
135.08096	2.9
135.11720	5.1
137.09630	6.3
139.11194	2.8
145.10138	4.5
147.11713	5.0
149.09669	4.8
149.13284	4.2
151.11180	17.9
153.12700	1.8
159.11763	2.8
161.09650	1.4
161.13269	1.5
163.11223	4.5
165.09167	2.0
165.12794	3.1
167.10741	4.0
169.12265	1.9
171.10181	1.3
171.11681	1.4
173.13231	1.8
175.33762	1.4
177.12805	4.8
179.10701	1.3
189.11224	3.0
195.13858	4.1
209.11731	2.1
215.12831	2.0
219.17459	3.1
227.12784	1.3
229.19556	1.9
237.14853	1.6
247.20671	4.5
253.14459	4.3
257.18997	2.0
265.21799	1.7
267.16061	1.5
268.16431	1.2
275.20050	26.9
276.20560	1.7
293.21109	100.0
294.21524	7.5
349.23807	5.2
367.24829	65.5
368.25015	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.2
55.01878	6.4
55.05512	19.1
57.03442	17.8
57.07073	2.7
59.05002	16.9
62.88862	1.2
65.03934	2.4
66.85828	1.1
67.05506	46.4
67.05869	2.3
69.03438	2.0
69.07072	22.5
70.06288	1.5
70.06623	4.2
71.04999	4.6
74.06071	2.0
79.05492	30.9
80.05826	1.1
81.03420	2.5
81.07059	66.3
82.07384	2.2
83.04991	5.2
83.08618	10.6
85.06551	2.6
91.05479	26.2
93.07050	29.0
95.04395	2.0
95.04961	9.2
95.08604	29.3
97.06540	10.2
97.10188	5.6
98.55173	1.1
99.08109	3.8
103.05514	1.6
105.04524	1.4
105.07036	26.7
107.04987	5.0
107.08597	22.7
109.06522	6.8
109.10176	15.8
109.37344	1.3
111.08115	3.4
117.07008	9.4
117.09144	3.5
119.08583	19.0
121.06533	3.7
121.10148	12.4
123.08083	4.9
123.11701	5.9
125.09615	3.7
129.06999	3.3
131.08591	12.9
133.10127	18.1
135.08035	5.0
135.11697	5.5
137.09630	3.7
139.11182	2.4
141.07100	1.2
143.08572	2.8
145.10127	14.4
147.11707	13.0
149.09619	8.7
149.13310	4.3
151.11241	2.9
154.12231	2.0
157.10089	4.1
159.08070	1.4
159.11717	8.1
161.13297	2.7
163.11197	7.0
165.12811	2.6
169.10141	2.4
170.15479	2.4
171.11732	2.5
173.11784	2.9
173.13277	4.8
175.13335	1.6
175.14839	1.3
177.12746	2.2
180.49417	1.5
183.11769	2.2
185.13188	1.6
187.11148	1.6
189.11244	2.7
189.12831	1.6
191.14294	1.6
193.12451	1.2
195.13756	2.4
201.12737	1.3
203.14381	1.6
205.15897	1.6
207.13710	1.6
213.16524	2.3
219.17358	1.6
229.14331	1.5
239.18004	4.5
247.20584	4.0
257.18924	8.0
269.17419	2.9
275.20050	43.7
276.20392	2.9
293.21121	4.9
309.20764	1.9
331.22549	1.6
349.19781	10.6
349.23755	14.5
367.20840	100.0
367.24890	35.5
368.21188	7.4
368.24881	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01878	21.6
55.05515	49.3
57.03440	31.5
57.07076	6.6
59.05015	2.7
60.01427	2.6
65.03941	4.6
67.05506	68.9
67.05865	4.4
69.03435	10.3
69.07071	51.3
69.56949	7.7
70.21835	2.5
71.04988	9.1
71.08633	12.9
79.05499	61.1
81.03419	11.6
81.07058	82.4
83.04978	21.2
83.08626	19.1
85.06549	8.3
91.05486	50.0
93.07048	70.9
95.04979	31.5
95.08610	44.8
97.06534	18.6
97.10179	14.2
98.98486	2.8
99.04466	9.6
99.08105	14.6
105.04543	4.1
105.07040	50.0
107.04955	18.4
107.08598	40.0
109.06548	14.0
109.10164	16.0
111.04449	19.8
111.08073	8.9
113.06023	6.6
117.07019	19.9
119.08591	32.8
121.06541	12.2
121.10154	22.8
123.08077	9.6
123.11720	9.1
125.09655	7.9
129.07042	5.9
131.08551	19.9
133.10136	23.2
135.08008	12.8
135.11656	13.7
137.09615	7.5
137.13249	3.2
139.11247	4.9
141.06956	2.9
145.10124	18.9
147.11684	24.0
149.09660	18.5
149.13286	7.7
151.11214	11.0
153.09093	2.5
157.10158	4.2
159.11687	18.2
161.09644	5.7
161.13272	4.9
163.11200	13.1
165.12805	9.2
167.14412	2.9
171.10205	3.3
171.11650	5.4
173.13268	11.3
175.11169	4.0
177.12778	10.0
182.59383	2.4
183.11743	4.8
183.21657	2.6
185.13335	5.5
187.11180	2.6
187.14833	3.8
189.11195	3.8
191.14386	4.0
197.13257	2.6
201.16396	4.3
203.12718	3.9
203.14450	5.1
207.13849	3.7
219.17442	11.7
219.79672	2.3
225.14923	5.7
227.12947	2.7
237.14833	9.0
239.18158	3.8
244.23404	2.3
245.13895	2.4
247.20595	8.8
251.20364	2.2
257.19009	15.5
259.08560	4.1
267.15878	5.1
269.17465	4.1
275.20084	100.0
276.20435	8.2
285.17038	4.1
293.21097	53.8
294.21613	3.2
349.16690	7.5
349.23788	28.7
350.24072	3.3
367.17194	3.5
367.20859	12.9
367.24860	47.6
368.25143	6.3
376.27451	2.8
384.26651	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	367.2483
Annotation	(-)-Isomuronic acid
Peak:m/z	Relative Intensity
51.74928	8.6
55.01855	9.9
55.05510	52.6
57.03425	23.6
57.07085	10.3
67.05511	62.9
69.03410	10.4
69.07063	31.5
69.53655	9.3
71.08629	36.0
79.05476	44.9
81.03406	15.1
81.07056	42.4
83.08632	15.1
87.38720	8.9
90.72881	8.2
91.05470	33.0
93.07045	36.0
95.04952	22.0
95.08598	42.7
97.10169	13.4
99.08084	34.7
105.07036	34.6
107.08579	26.3
109.10164	22.5
119.08573	24.6
121.06525	12.7
125.09608	18.0
131.08580	16.3
133.10112	28.0
135.08044	10.7
145.10109	28.0
147.11745	12.2
149.09598	10.8
149.13103	10.7
151.11206	17.3
159.11786	11.7
164.54843	8.7
173.13167	10.4
189.11156	15.1
191.14445	10.3
233.36986	11.1
257.18939	13.2
275.20038	100.0
293.21121	64.9
349.23505	36.1
367.24921	75.5
368.25632	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.8
52.07911	0.5
53.03942	1.3
55.01878	6.4
55.05515	33.6
56.05822	0.9
57.03440	15.6
57.07061	0.9
59.04975	1.4
65.03902	1.1
67.05509	30.3
69.03441	2.9
69.07069	8.0
69.50505	3.0
71.04966	2.0
71.08636	44.9
77.03905	0.9
79.05496	28.3
80.05828	0.6
81.03422	4.5
81.07059	29.0
82.07381	0.9
83.04987	6.8
83.08134	0.7
83.08622	11.8
85.06519	1.7
91.05486	11.4
93.07052	12.2
95.04971	8.4
95.08611	13.3
97.06505	2.2
97.10178	21.3
98.10493	0.7
99.08097	29.9
100.08401	0.8
105.04514	0.6
105.06371	0.7
105.07043	7.9
107.04956	3.4
107.08594	15.5
108.69970	0.6
109.06522	3.3
109.10152	8.4
111.08062	1.9
115.05489	0.8
117.07022	3.8
117.72720	0.5
119.08603	4.0
121.06506	3.5
121.10149	4.6
123.08045	1.0
123.11677	1.6
124.60805	0.6
125.09641	19.5
127.11199	1.2
129.06967	0.8
131.08586	3.6
133.10156	5.6
135.08034	3.9
135.11661	2.5
137.09607	1.0
139.11168	2.9
141.09096	1.2
143.10651	0.7
145.10126	2.8
147.11708	2.9
149.09564	1.4
149.13278	3.5
151.11194	2.9
153.09088	2.8
157.10112	0.9
159.11679	2.6
161.09628	0.9
161.13348	0.6
163.11160	2.0
165.12726	2.4
167.10690	0.9
171.10234	3.4
171.11539	0.9
173.13155	0.9
177.12770	4.9
179.10834	0.7
188.64064	0.7
189.11232	16.0
193.12251	0.8
195.13786	2.0
227.12823	0.8
229.19542	1.0
247.20534	2.0
257.19000	0.9
265.21545	1.3
267.15924	3.6
271.66827	0.6
275.20074	15.5
276.20490	0.8
293.21112	100.0
294.21402	7.6
303.77194	0.6
367.24808	35.2
368.25095	3.1
368.31363	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
55.05516	24.0
57.03434	8.8
59.05006	5.6
63.12866	2.4
65.30318	2.3
67.05504	22.0
69.03423	3.7
69.07076	27.3
69.13507	18.6
71.08637	29.1
77.03983	2.6
79.05491	12.7
81.07064	22.2
83.04982	5.5
83.08634	7.2
91.05481	10.3
93.07059	13.4
95.04990	5.5
95.08620	11.6
97.06528	3.8
97.10180	8.9
98.23518	4.5
99.08089	22.5
105.07041	10.7
107.08611	13.0
109.06509	4.3
109.10173	8.4
119.08577	7.2
121.06501	5.3
121.10141	8.7
123.08089	3.0
125.09660	6.2
131.08597	5.0
133.10129	6.0
135.11696	3.5
137.05952	3.9
142.07816	2.8
143.08530	2.4
144.86864	3.0
145.10173	5.2
147.11679	3.0
149.09599	3.3
149.13234	3.5
155.08562	3.0
157.10153	5.2
159.11739	4.5
163.11235	3.6
171.11725	3.3
181.12279	2.7
183.11647	2.5
189.11290	5.7
195.11795	4.1
206.77480	2.3
209.13202	2.8
247.20493	2.8
249.12923	2.6
263.17975	2.6
275.20059	10.2
293.21094	100.0
294.21539	6.6
349.21573	6.8
367.16800	4.9
367.25159	43.6
368.24780	4.6
368.31351	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	367.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11758	3.5
53.03941	6.6
55.01873	26.6
55.05509	64.8
57.03439	30.5
57.07069	4.4
62.80049	3.6
65.03939	6.2
67.05507	74.0
69.03431	7.4
69.07071	50.2
71.04983	11.7
79.05490	67.5
81.03427	11.3
81.07058	63.3
83.04980	48.7
83.08630	50.5
85.02913	15.4
85.06570	4.4
91.05489	51.3
93.07043	75.4
95.04967	81.3
95.08611	36.4
97.06529	15.7
97.10158	16.0
99.04455	29.4
101.06018	6.0
105.07026	50.1
107.04960	14.9
107.08598	80.9
109.06542	15.4
109.10162	27.0
110.56985	4.4
111.04439	53.2
111.08076	15.9
117.07037	19.7
119.08582	32.4
121.06516	13.9
121.10152	44.4
123.08085	12.0
123.11692	8.9
125.09650	25.8
129.06955	6.9
131.08546	23.1
133.10129	20.9
135.08026	9.4
135.11731	19.9
136.36540	3.7
137.09660	5.9
139.11180	5.2
141.06946	4.6
143.08588	5.3
145.10147	34.6
147.08087	11.2
147.11693	15.5
149.09642	54.5
149.13239	6.6
151.11203	4.2
153.12744	8.0
156.07402	3.9
157.10150	6.0
159.11708	15.6
161.13254	4.2
163.11165	38.6
165.12694	8.8
169.10139	5.7
171.11626	4.1
173.11792	5.5
173.13266	7.7
177.12666	6.1
180.29085	3.9
181.12271	8.8
183.11548	4.4
184.05116	3.9
187.11154	8.5
189.11230	16.2
191.10690	4.9
205.12184	9.7
223.13289	79.3
229.19597	6.9
237.14958	5.2
239.17819	6.1
247.20596	6.1
257.19067	16.0
275.20059	100.0
275.22916	6.4
275.35721	4.7
293.21069	39.1
335.57062	3.7
349.23947	4.1
367.16953	6.9
367.20795	23.6
367.24838	52.1
368.24915	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	367.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	15.1
55.03638	4.3
55.05515	51.8
57.03432	13.7
57.07079	5.1
60.05163	3.6
62.99427	3.8
67.05508	61.9
69.07080	18.3
69.50211	12.3
69.50581	8.3
71.05007	5.3
71.08633	7.0
79.05498	100.0
79.05954	7.5
81.07056	45.4
82.33447	4.4
83.04984	19.7
83.08632	15.7
91.05484	41.2
93.07047	58.4
95.04972	17.6
95.08596	27.3
97.06507	3.8
97.10190	24.3
98.23380	8.6
99.08072	9.8
105.07051	41.2
107.04951	29.7
107.08599	61.3
109.10173	22.8
111.08097	3.8
117.07028	17.7
119.08572	31.8
121.06533	6.3
121.10147	26.7
123.11723	8.7
125.09631	32.9
131.08566	15.5
133.10155	30.2
133.90021	3.6
135.08075	10.4
135.11699	9.7
139.38818	3.8
143.08630	4.7
145.10165	12.0
147.11702	17.6
149.09634	52.1
149.13237	8.2
150.10056	5.7
159.11716	16.5
161.13223	8.8
163.11183	5.2
163.14807	4.2
166.26588	4.0
169.12187	4.9
173.11827	6.9
173.13260	6.3
175.14833	4.2
177.12868	4.9
189.11253	17.2
202.11342	4.2
209.15411	8.8
214.15709	3.5
227.12825	6.5
229.19366	4.9
231.66515	3.9
238.23454	4.4
238.64308	3.6
239.17958	4.3
245.13737	4.7
247.20638	5.7
257.19083	17.5
275.20087	91.8
293.21118	10.1
349.23749	64.3
350.24142	8.0
367.14764	7.3
367.24963	21.7
368.31415	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	367.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	19.7
57.07078	8.0
62.28044	4.9
65.03941	7.5
67.05508	35.2
69.07062	30.8
69.29565	26.2
71.04969	9.2
71.08626	5.8
77.63666	6.0
79.05499	42.4
79.08706	6.0
81.07063	65.5
82.18676	5.5
83.04984	8.5
83.08626	11.5
89.00906	4.4
91.05486	63.2
93.07050	80.5
95.04971	41.3
95.08617	65.1
97.06525	20.3
98.22687	11.0
105.07032	96.8
107.08606	68.3
109.06530	17.9
109.10159	53.8
115.05434	9.7
117.07015	24.2
119.08587	100.0
121.06531	9.0
121.10154	61.3
123.08088	8.1
123.11720	14.6
123.68139	5.4
128.06229	7.8
129.07021	11.6
130.07860	7.7
131.08574	62.3
133.10126	79.9
135.08070	25.1
135.11696	21.1
137.09587	11.0
141.07004	10.8
142.07773	18.4
143.08577	49.7
144.09328	8.9
145.10144	71.4
146.07326	6.7
147.08037	6.9
147.11702	29.6
149.09593	20.4
149.13251	7.6
155.08545	15.0
156.09348	17.2
157.10159	65.1
158.10852	9.1
159.08028	9.3
159.11699	46.4
161.09639	53.7
161.13272	10.7
165.06964	5.3
167.08504	5.9
168.09256	5.9
169.10115	20.8
170.10880	11.8
171.11694	36.5
173.09523	6.6
173.13284	30.2
175.11102	11.6
175.14853	28.8
179.08560	14.9
181.10162	6.2
182.10855	9.1
183.11691	22.1
185.13284	8.8
187.11148	6.2
187.14819	14.7
189.16373	6.1
193.16034	5.7
194.10855	9.7
195.11691	16.2
197.13193	15.2
199.14876	13.1
201.12718	8.5
209.13301	22.4
211.14760	11.3
213.12888	5.1
223.14783	10.6
227.14281	17.1
230.72226	5.7
237.16374	5.5
239.17896	12.5
240.30849	5.5
254.56987	5.1
257.19022	8.8
265.19376	6.5
349.25113	8.3
367.26361	15.2
368.42496	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	367.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24157	1.3
55.01874	2.4
55.05512	13.3
56.88775	1.4
57.03444	2.4
57.07066	7.9
60.72849	1.3
61.36182	1.3
62.83239	1.2
67.05506	19.3
69.03422	4.0
69.07068	21.8
69.16692	9.6
71.04990	4.7
71.08636	24.0
79.05503	10.2
81.07055	31.0
83.04972	2.2
83.08630	7.4
83.23314	1.7
85.06546	3.6
91.05452	7.9
93.07056	16.7
93.90699	1.8
95.04961	8.3
95.08608	22.0
96.24059	1.4
97.06535	6.4
97.10158	4.2
98.22761	3.1
99.08102	22.6
105.07025	16.5
107.08582	13.6
109.06519	23.8
109.10167	10.4
111.08090	2.5
117.06979	1.5
118.67970	1.4
119.08589	10.7
121.06507	8.9
121.10181	9.4
123.08091	3.4
123.11733	5.1
125.09602	1.7
131.08583	4.9
133.10112	9.6
135.08058	7.2
135.11707	5.0
137.09630	1.5
139.11174	5.2
145.10089	3.0
147.11685	6.5
149.09633	2.8
149.13235	2.4
159.11639	3.3
161.13251	5.6
163.11182	6.0
165.12753	48.7
175.14865	4.6
177.12741	7.0
179.14355	2.7
187.14879	1.5
189.16353	2.8
201.16493	1.5
209.19014	13.7
219.17513	2.0
237.18541	3.0
244.74895	1.7
271.24258	1.7
279.26773	2.0
289.25238	22.1
293.21133	2.0
307.26279	6.5
317.24747	100.0
318.25079	8.2
335.25809	26.8
349.27353	72.4
350.27658	5.1
367.24234	1.9
368.42444	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	367.2847
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.86549	1.4
55.01874	1.5
55.05519	14.0
57.07071	6.0
57.10616	1.5
67.05504	17.3
68.59518	1.7
69.07072	20.1
69.34978	7.9
69.60464	1.5
71.04999	3.0
71.08627	13.4
79.05491	9.4
81.07061	30.6
83.04986	4.7
83.08628	10.4
84.41966	1.4
85.06538	2.5
90.94236	1.6
91.05471	6.5
92.64777	1.5
93.07034	13.8
95.04922	2.3
95.08606	19.9
97.06535	3.8
97.10175	4.6
99.08089	15.0
105.07031	7.3
107.08604	10.9
109.06521	14.6
109.10165	8.9
111.04453	2.7
111.08109	4.0
119.08584	8.3
121.06495	2.2
121.10149	6.8
123.08086	24.8
123.11699	2.8
125.05990	4.7
125.09658	2.5
133.10162	8.5
135.08066	5.4
135.11702	5.7
137.09602	3.5
137.13251	3.3
139.07574	2.3
144.06572	1.5
145.10121	4.1
147.11717	4.7
149.09639	3.0
149.13277	3.1
151.11150	2.8
153.12724	6.8
161.13222	2.9
167.14372	2.2
171.14748	1.6
175.14850	1.9
177.12839	1.9
179.14316	33.4
181.12334	2.2
183.12680	1.5
189.16356	1.8
191.14230	1.7
197.34845	1.7
215.18271	1.8
251.20032	12.0
270.13342	2.2
275.20071	2.4
277.21631	1.7
293.21115	16.8
293.28296	3.1
303.26810	12.1
308.25705	2.0
321.27850	6.5
331.26331	45.5
332.26523	3.9
349.27393	100.0
350.27649	4.5
367.24509	46.0
367.28308	5.3
369.89267	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2845
Annotation	3beta-Acetoxy-8beta,15-dihydroxy-ent-labda-13E-ene
Peak:m/z	Relative Intensity
50.68941	2.9
52.39462	2.5
55.05523	16.6
57.07064	10.7
62.98254	2.3
67.05513	22.1
69.03445	5.9
69.07072	26.7
69.45962	7.0
69.46350	5.3
71.04987	4.5
71.08631	4.6
79.05490	9.9
81.07058	33.0
83.04972	4.5
83.08605	15.6
85.06569	3.6
85.10179	16.1
88.42331	2.4
91.05483	10.7
93.07047	19.9
95.04978	7.8
95.08614	30.6
97.06549	5.8
97.10177	5.6
98.23493	3.3
98.45352	2.3
104.99271	3.5
105.07043	16.1
107.08607	18.5
107.09220	3.2
109.06519	28.8
109.10173	11.6
111.08099	3.1
113.09651	17.0
119.08590	18.0
121.06500	6.2
121.10139	9.1
123.08070	10.5
131.08577	2.7
133.10133	11.3
135.08075	7.6
135.11700	4.7
143.08534	3.5
145.10129	9.6
149.09625	2.9
153.12804	4.6
159.11766	4.6
161.13371	4.2
175.14812	3.1
177.12674	3.5
179.14305	40.7
193.15948	2.9
202.96878	2.4
209.19008	12.4
225.16402	3.3
271.10345	2.5
275.20352	2.4
279.19867	2.5
303.26871	21.3
321.28156	3.4
331.26285	81.5
332.26611	6.7
349.27399	100.0
350.27820	8.1
368.42569	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	368.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01875	7.2
55.05502	1.2
57.03440	5.0
61.02936	6.0
67.05511	2.1
68.99789	2.5
69.03431	35.6
69.07050	1.3
69.25332	5.9
71.04990	5.0
73.02914	4.3
74.85237	0.9
79.05479	1.3
81.03416	21.5
81.03894	1.1
81.07049	1.4
82.03767	1.3
84.04505	1.6
85.02905	100.0
86.03249	1.6
87.00829	44.6
93.07025	1.3
95.08625	0.8
97.02254	1.4
97.02895	28.6
98.06036	1.0
99.04463	12.5
105.01868	74.8
106.02237	1.7
108.04497	2.9
109.02877	27.5
109.10202	1.5
113.26300	0.9
115.03925	1.8
117.01860	2.6
121.06596	0.8
126.05444	1.1
127.03920	71.3
128.04231	2.5
129.01830	2.5
133.72534	0.9
135.11664	1.0
140.76181	0.8
145.04967	33.4
145.12227	2.3
147.02881	2.7
159.02884	13.7
171.13860	1.1
177.05467	0.8
189.03906	4.5
213.03922	3.3
231.05000	20.9
232.05241	1.2
238.29002	0.9
249.06081	8.0
337.11108	1.2
351.05063	0.9
368.21173	15.6
369.13403	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88765	3.4
52.17490	3.4
55.05505	9.4
57.07071	7.2
59.04979	3.3
67.05508	6.4
69.07060	32.0
70.63334	4.3
71.05001	23.3
73.06563	5.9
77.41220	3.4
78.73199	3.0
79.05513	5.2
81.07055	44.9
83.08622	7.3
85.02916	18.4
85.06532	25.2
91.05476	6.2
93.07053	37.5
95.08604	5.2
97.02872	5.1
97.06526	14.3
107.08594	36.0
109.10178	27.1
111.01720	3.7
123.11711	33.4
127.11199	53.3
132.08118	8.6
135.11693	41.5
141.12756	28.9
145.02856	10.2
147.04395	7.8
153.11589	7.5
153.12749	87.8
159.09152	8.1
171.13794	100.0
177.05472	9.8
189.14854	8.0
206.04451	6.0
207.13754	4.6
209.02516	5.8
224.18674	3.6
251.09114	4.5
265.15494	4.1
276.95190	3.6
299.60410	3.3
351.13724	4.6
368.13406	3.9
368.17706	7.9
369.14664	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	368.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.6
55.01865	4.8
55.05513	21.6
56.93865	2.3
57.03435	7.6
57.07059	3.0
58.06602	7.1
58.22484	2.1
60.04524	22.7
66.63373	1.9
67.05509	26.3
68.05836	3.3
69.03438	2.9
69.07067	13.2
70.06606	2.9
71.04987	8.8
72.04514	2.4
79.05495	23.5
81.03423	3.4
81.07063	28.3
83.04979	5.2
83.08621	13.9
84.08151	10.1
85.06567	4.2
86.09703	27.4
88.07618	4.2
91.05482	14.6
93.07048	27.0
94.07433	3.4
95.04984	9.9
95.08627	12.9
96.05291	2.7
96.08127	3.2
96.08937	2.7
97.06547	7.9
97.10175	17.8
98.23519	4.1
100.07627	3.0
101.06019	2.1
105.03394	3.3
105.07051	9.3
106.07376	3.0
107.04980	5.8
107.08585	14.5
108.05289	2.2
109.06543	8.3
109.10163	6.7
111.08112	2.3
112.07611	27.6
113.06020	2.5
117.07021	4.0
119.08599	8.0
120.08887	2.2
121.06497	5.1
121.10155	11.9
122.09680	8.5
123.08067	5.0
125.09640	12.1
128.10736	25.1
129.06993	2.6
130.08620	2.8
131.08568	8.6
133.10155	4.1
135.11723	5.5
135.18951	2.5
138.12752	4.6
142.73203	2.0
143.08568	4.1
145.10136	5.1
147.11705	3.4
148.11209	2.2
149.09605	4.2
149.13249	2.7
151.11177	3.9
154.08633	4.5
157.10109	3.8
159.11716	4.7
163.11208	2.6
172.09709	6.6
173.13254	2.4
177.12798	3.5
180.13881	9.6
187.11198	4.7
189.11229	13.7
217.15747	2.6
223.13177	2.2
224.16522	3.2
241.19524	2.8
273.18570	7.1
275.20142	4.6
276.20395	15.4
277.21725	3.4
290.21274	9.4
291.19568	10.2
292.82190	2.1
294.21631	3.4
308.22290	11.3
332.22226	3.2
350.23251	21.9
368.17517	3.9
368.24445	100.0
369.16388	3.1
369.22675	15.7
372.17151	2.0
390.29034	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	368.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41677	1.1
55.01865	2.4
55.05504	4.4
59.04991	3.8
67.05498	4.8
69.03439	1.0
69.07069	6.0
69.69620	2.7
69.70003	2.4
71.04988	1.3
71.08662	1.0
79.05493	4.5
81.07060	10.8
83.08612	4.0
84.04527	3.0
85.06534	1.6
91.05466	4.4
93.07045	8.2
95.04945	1.8
95.08617	10.2
97.06528	3.5
97.10143	1.3
98.22723	1.3
105.07041	13.7
107.08601	7.0
109.06503	2.5
109.10147	4.7
111.08060	1.3
119.08607	9.3
121.06508	100.0
121.10106	5.4
122.06844	2.3
123.08078	5.7
123.11697	3.7
129.07021	1.3
131.08557	4.3
133.06537	2.2
133.10170	6.1
135.08083	9.2
135.11688	3.5
137.09605	2.1
143.08540	5.1
145.10121	11.1
147.08055	7.4
147.11708	3.6
149.09613	2.1
153.06627	1.3
154.12233	2.8
155.08519	2.8
156.09367	1.8
157.10112	6.0
159.08092	2.6
159.11694	6.1
161.09625	13.8
161.13252	2.7
163.07512	1.3
163.11209	2.3
165.05470	3.6
165.12787	1.5
169.10109	4.8
170.15398	4.5
171.08133	1.2
171.11719	8.1
172.08752	1.3
173.09589	5.6
173.13243	2.8
175.11226	5.9
183.11658	2.7
185.09576	2.5
185.13264	4.6
185.62578	1.2
187.11189	6.0
187.14957	1.6
189.09048	2.4
189.12712	13.4
190.95181	1.4
191.14326	3.4
193.12292	2.1
195.11766	1.3
197.13306	2.3
198.14915	2.2
199.11203	2.9
199.14870	4.2
201.12755	2.8
201.16393	1.6
203.65051	1.1
207.14566	1.3
209.13350	1.7
211.14841	2.1
213.12807	2.5
213.16396	2.0
215.14297	4.0
217.15875	1.7
227.14284	2.5
227.17972	2.6
229.15944	4.6
235.13243	2.8
239.17973	1.9
241.19516	6.7
243.17374	3.5
251.17903	3.2
253.19492	2.1
257.18890	6.0
269.18997	14.6
271.20523	2.8
275.20105	3.4
281.18536	1.8
285.18811	1.6
287.20020	6.2
297.18460	3.3
303.19473	2.9
305.21155	1.7
315.19571	10.6
321.20654	14.5
322.20978	1.2
333.20590	23.8
334.20767	3.4
351.21692	3.8
368.21060	10.2
368.28839	2.9
369.15237	3.1
369.22604	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21511	1.6
55.05510	6.7
57.07076	3.0
62.33654	1.4
67.05501	4.1
69.03426	2.6
69.07069	7.7
69.56911	5.8
72.04514	81.2
79.05491	8.2
81.07079	7.4
82.05374	1.4
85.06540	1.7
87.66578	1.2
91.05482	3.2
93.07037	13.5
95.04976	2.5
95.08607	3.1
97.02885	10.9
97.06538	2.6
97.10152	3.9
105.06974	2.0
107.08589	1.5
109.10150	2.0
111.04427	5.3
113.06026	2.3
114.09159	9.4
121.06474	7.3
121.10147	13.0
122.10448	2.1
123.08102	1.8
128.10713	6.1
131.08534	8.6
139.11195	3.0
142.12344	1.8
143.08562	1.8
149.09578	15.4
167.10661	15.0
168.10994	3.6
176.76457	1.3
183.13828	1.5
184.15356	2.8
184.16965	55.7
185.17297	1.7
202.18019	100.0
203.18376	3.7
217.84775	1.4
258.30881	1.3
280.19125	2.6
368.27975	5.7
369.24033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.1
55.05508	8.3
57.07066	3.3
67.05497	7.3
69.03429	3.3
69.07065	8.4
70.08870	4.1
71.05004	1.7
71.08617	1.5
72.04514	95.1
72.35771	1.3
79.05499	5.5
81.07056	10.3
83.04966	3.2
85.06561	1.7
91.05489	6.0
93.07043	16.0
95.04942	7.0
95.08611	5.1
97.02893	15.5
97.06535	3.4
97.10191	5.2
105.07023	4.7
106.66154	1.4
107.08585	5.4
109.06527	3.0
109.10173	4.6
111.04427	6.5
113.05999	3.6
114.09171	8.8
119.08573	4.7
121.06507	6.2
121.10140	11.6
123.04427	25.7
123.08083	2.5
123.11713	6.5
125.06052	1.8
126.09169	1.6
128.10709	4.6
129.07007	1.9
131.08586	11.3
133.10136	2.8
137.05972	2.6
139.11200	1.8
142.12206	2.2
147.08034	4.3
149.09633	13.2
157.10027	1.7
161.13237	5.7
167.10699	15.6
171.11589	1.5
184.16963	60.4
185.17352	1.5
189.12787	2.6
202.18019	100.0
203.18318	4.4
207.13858	2.4
225.83691	1.5
235.13348	1.9
238.57191	1.5
253.14262	10.1
280.19061	44.8
281.19357	2.9
350.26990	2.0
368.28055	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44957	1.1
53.98007	1.2
55.68683	1.2
70.13393	2.2
70.13728	1.1
72.28659	1.1
74.00797	1.4
78.68546	1.3
94.93031	1.5
98.97572	3.9
108.87307	1.1
112.89613	100.0
114.89352	37.7
158.99631	1.7
177.00610	1.6
188.82558	2.3
212.85268	8.6
268.92010	2.8
284.89417	1.3
294.89859	1.8
304.86478	1.2
310.87283	1.3
369.09454	27.7
370.09644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03711	8.3
58.51686	8.6
65.32392	7.5
69.86869	22.8
82.89825	8.1
104.99283	26.8
167.05524	11.4
177.05507	8.1
252.48499	8.4
369.09778	100.0
369.15381	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26248	6.6
53.24456	6.5
59.05021	8.9
61.02934	7.7
69.03452	9.5
70.06585	8.5
71.46828	6.8
74.16594	6.9
85.02901	51.5
91.05502	6.5
97.02901	17.1
100.21875	6.9
109.02877	12.1
115.04016	8.4
115.07671	6.5
127.03910	21.7
133.05045	10.4
134.00204	7.4
137.05899	9.8
140.07010	8.4
145.04951	18.4
162.05418	9.0
177.05478	18.4
179.75874	6.7
191.12660	11.2
237.02864	8.3
352.11856	7.9
369.09525	54.2
369.15198	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	100.0
63.78312	0.5
64.01955	0.5
67.98198	0.6
69.40728	2.4
71.95273	0.8
72.96045	1.8
74.97620	1.2
81.03426	0.5
83.97645	1.6
85.02925	0.5
85.99177	0.5
88.11286	1.8
93.83086	0.6
95.00812	0.5
97.99174	0.8
120.08130	2.1
121.06477	0.8
144.96843	1.1
149.02779	1.0
163.00774	0.8
165.02278	1.9
167.03848	1.4
176.03838	17.0
177.02231	0.9
178.05405	29.7
179.05711	1.0
181.01659	1.0
183.03319	5.9
184.64381	0.6
186.02229	0.6
190.01677	0.7
192.03424	1.8
194.04910	7.5
196.04675	1.1
196.06471	20.8
197.01155	0.7
197.06770	0.5
201.04321	6.5
204.03307	6.6
207.04802	0.6
208.02888	4.0
210.04504	2.0
219.05591	0.5
219.07967	0.7
221.39377	0.5
222.04384	64.8
223.04654	3.6
226.03938	3.0
240.05438	55.1
241.05797	2.3
245.06104	1.5
263.07013	0.7
324.09137	1.3
351.10156	6.0
369.11261	67.3
370.11487	4.4
387.12207	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	369.1337
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01890	1.2
60.97150	1.3
65.48963	1.5
69.65862	4.5
91.05437	1.3
95.04916	1.3
105.07045	1.3
107.04998	2.7
131.04977	2.0
165.07016	2.7
178.07805	3.8
179.08528	2.3
189.07001	1.4
190.07858	2.8
191.08534	3.9
193.06557	1.7
194.07281	5.7
195.08069	1.6
202.07779	3.9
203.08510	3.9
205.06587	3.6
206.07277	3.0
207.08060	3.2
208.08826	2.1
209.47156	1.2
218.07259	4.2
219.08069	5.9
220.08852	5.7
221.05939	2.8
222.06798	3.7
223.07565	2.0
230.07162	1.2
231.08008	7.1
232.08768	2.1
233.06071	1.6
234.06668	2.3
235.07520	8.5
236.08260	2.7
237.09145	5.6
238.09796	1.5
247.07530	5.3
248.08363	8.1
249.09142	7.0
249.18575	1.4
250.06326	4.2
250.09775	1.6
251.07053	4.6
252.07722	3.1
259.07513	2.4
260.08340	2.4
262.06168	2.1
262.10138	1.3
263.07065	2.2
263.10712	3.4
264.07788	2.9
265.08588	14.6
266.09344	5.1
276.07837	3.7
277.08575	2.8
278.05670	1.8
278.09271	1.2
279.06427	1.9
279.10193	4.0
281.08347	1.6
281.11737	1.8
291.10187	15.2
292.10461	1.9
293.08084	5.8
294.08719	3.9
295.09604	2.0
307.09720	4.0
308.10303	3.7
309.11261	14.1
311.09271	1.7
319.09641	6.7
322.08334	2.5
325.10846	1.4
337.10709	100.0
338.11209	9.6
339.12167	1.7
369.13351	35.4
369.18710	5.2
370.13516	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1334
Annotation	10-Demethoxystegane
Peak:m/z	Relative Intensity
55.01883	0.7
69.03432	4.7
69.42436	0.9
69.42831	1.6
71.04990	2.5
79.05490	2.3
81.07082	1.6
83.04998	0.6
84.04517	4.1
85.02927	0.8
87.04504	0.6
91.05476	2.7
93.07071	1.8
95.05016	1.3
95.08626	0.8
97.02906	1.0
98.22678	0.9
99.04444	5.7
102.05569	1.7
103.05476	0.9
105.07034	3.9
105.12988	0.5
107.04953	5.9
107.08607	1.5
109.06554	1.0
115.05481	0.6
117.07030	0.7
121.06502	3.6
121.10174	0.6
123.08112	0.7
128.06142	0.4
130.04999	4.2
131.04968	1.6
131.08597	1.2
133.06552	0.6
133.10130	3.6
135.08015	3.5
137.06010	0.5
141.06982	0.7
145.06494	1.3
145.10139	0.6
146.07280	0.7
148.06093	0.9
149.06032	2.0
149.09621	2.3
153.07112	0.5
159.04469	0.7
159.08015	2.4
161.09663	1.6
163.07573	3.4
163.11208	1.2
165.05765	0.6
165.06944	2.3
166.07805	0.9
171.08182	0.9
173.05995	0.4
177.07072	0.9
177.09070	3.3
178.07750	2.9
179.08563	2.0
179.10730	1.6
181.06522	1.2
181.08714	0.7
187.07466	0.5
189.07056	1.6
189.09106	0.7
190.07829	1.9
191.08588	3.8
192.09413	0.9
193.06512	0.9
193.10135	0.7
194.07263	4.4
195.08066	2.2
195.10132	1.3
202.07742	4.0
203.08580	3.5
204.09380	0.6
205.06531	3.6
205.08621	2.4
206.07272	1.9
207.08060	3.5
208.05238	0.5
208.08815	1.0
209.06078	0.7
209.09583	2.1
210.06792	1.1
210.10060	0.6
211.07645	0.9
215.08617	1.0
217.06612	1.0
218.07227	2.9
219.08046	7.3
220.08839	4.3
221.06015	2.0
221.09627	1.8
222.06793	4.6
223.07587	2.9
223.09688	1.2
224.08308	0.9
225.09007	0.6
230.07182	1.2
231.08084	5.5
232.08817	2.7
233.06003	2.1
233.09602	1.5
234.06760	3.0
235.07539	6.8
236.08299	2.6
237.05429	0.9
237.09099	5.7
238.06323	1.8
238.09888	1.5
239.07100	0.6
241.08746	0.5
245.06000	0.6
245.09641	0.8
246.06776	1.2
247.07539	5.7
248.08351	6.5
249.05533	1.3
249.09071	5.0
250.06244	3.5
250.09909	1.9
251.07054	4.1
251.10728	1.7
252.07825	3.0
252.11470	0.5
253.08626	1.3
258.06854	1.3
259.07590	1.8
260.08179	1.0
261.05557	1.0
261.09122	3.5
262.06351	0.9
262.09894	2.6
263.07111	4.2
263.10428	2.5
264.07764	3.2
264.10339	0.6
265.08582	15.5
265.21902	0.4
266.06049	1.0
266.09351	3.6
267.06439	0.8
267.10104	1.0
270.08966	0.6
275.07126	1.8
276.07870	3.1
277.08508	2.9
278.06073	0.8
278.09351	2.8
279.06702	3.9
279.09952	4.1
280.07416	0.9
280.10959	1.4
281.07916	0.5
281.11783	1.1
282.08932	1.0
289.08621	0.5
291.06860	0.9
291.10114	17.2
292.07327	1.1
292.10532	0.9
293.08066	6.7
294.08722	5.1
295.09543	2.0
304.07156	0.6
305.07990	1.0
307.09647	4.3
308.10510	2.6
309.07870	0.8
309.11209	12.0
310.11902	0.9
311.09137	1.4
311.12552	0.7
319.09631	7.3
322.08466	2.1
323.08984	2.1
337.10687	100.0
338.11160	11.2
339.12201	1.1
354.10864	0.7
369.13306	34.4
369.22510	2.0
370.13492	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
67.05496	0.7
70.06583	2.0
72.08161	1.0
77.96523	0.7
85.02890	1.5
91.05479	1.4
93.07046	1.7
105.07019	1.3
107.08598	1.2
109.10171	1.2
119.04901	0.8
121.06502	2.1
135.08076	0.6
136.07594	1.9
147.04396	4.7
162.05499	0.7
171.36707	0.9
174.63242	0.8
185.04214	41.1
189.08923	3.0
194.14130	1.6
207.09918	90.1
208.10344	3.9
256.02817	2.8
273.18512	3.1
275.85028	0.7
310.09558	1.3
340.17892	2.8
369.07529	2.6
369.15179	100.0
370.15482	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	369.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04547	1.0
67.05511	0.9
69.54794	4.0
81.07049	1.4
83.08597	1.0
85.02921	1.5
87.04443	1.9
91.05480	1.7
93.07069	1.1
97.02874	1.0
99.40059	0.9
100.11268	5.4
105.07055	1.2
107.05013	1.3
118.60936	1.3
119.04952	5.3
119.08582	1.8
120.69929	1.0
127.03917	1.1
135.04410	14.8
143.11809	1.1
147.04465	1.8
175.03970	1.4
177.05560	1.8
185.04196	15.3
189.12679	1.2
207.06609	3.8
207.09914	100.0
208.10262	4.3
208.13318	30.2
210.16548	0.9
225.16020	1.5
271.53619	1.0
284.06348	1.3
285.06552	4.7
291.91077	1.1
360.57675	1.0
369.15210	72.3
369.28259	7.1
370.15518	3.1
370.19971	1.1
387.03604	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1524
Annotation	Drosopterin
Peak:m/z	Relative Intensity
69.17935	2.8
83.93739	0.5
91.05462	0.6
93.07047	0.6
97.02872	0.8
97.06539	0.6
105.07050	0.4
119.08603	0.5
120.08094	1.0
131.08525	0.5
144.69609	0.5
147.04482	0.5
163.11317	0.5
171.11534	0.6
189.08847	3.3
203.05263	4.4
207.09940	1.4
274.10739	0.9
302.10263	0.6
368.74188	0.8
369.15176	100.0
370.15442	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	369.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21663	1.5
69.94430	3.3
69.94761	2.1
70.06596	2.3
83.78482	1.7
85.02939	2.1
90.54989	1.6
91.05484	1.7
95.08615	1.7
98.22704	1.6
109.06561	1.7
147.04448	2.0
154.70891	1.7
185.04225	3.7
207.06662	4.6
207.09914	86.1
208.10271	4.5
369.15231	100.0
370.15555	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	369.1522
Annotation	Drosopterin
Peak:m/z	Relative Intensity
55.05489	0.5
67.40640	0.4
69.39188	1.7
85.02921	1.0
91.05503	0.5
130.70279	0.5
136.07596	0.6
145.02858	1.0
147.04405	0.8
170.37100	0.4
177.05444	1.1
182.84996	0.4
189.12640	0.5
207.06317	0.5
207.09976	1.2
207.13910	0.5
251.09177	0.6
255.09488	0.7
256.09830	0.7
310.09467	0.7
326.98285	0.4
351.18814	0.6
353.55835	0.4
369.15158	100.0
370.15515	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	369.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.04989	0.8
61.86197	0.8
67.05492	1.2
69.07064	1.0
70.58246	1.3
81.07067	1.3
82.75878	0.9
86.95293	1.0
91.05485	1.0
95.08593	1.8
98.97621	0.8
101.06024	2.3
116.98659	1.2
129.84415	0.9
147.11751	1.2
257.17480	2.3
314.67584	0.9
369.16730	100.0
370.16968	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	369.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20869	0.7
55.05503	1.2
57.03423	0.9
57.54645	0.7
61.94411	0.6
67.05503	1.0
79.05476	1.7
81.07048	2.6
88.65794	0.7
91.05470	1.1
91.94067	0.7
105.03377	1.2
105.07030	1.3
107.08566	1.1
117.07007	0.8
119.08597	1.2
131.08548	0.8
132.11130	0.7
133.10098	0.8
137.05952	1.4
161.88754	0.8
175.12656	0.7
263.30078	0.6
277.17944	1.5
277.21533	0.7
349.45374	0.7
369.16718	100.0
370.17001	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	369.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84509	0.3
57.03441	0.6
63.02361	0.4
69.35493	0.8
69.35894	1.0
70.06605	0.8
72.08127	0.6
82.43287	0.3
84.08138	1.5
87.04472	0.6
89.03922	3.2
91.05489	0.3
101.10765	0.5
102.09198	0.8
108.98722	0.3
114.10387	0.3
117.03376	17.7
118.03717	0.5
119.04930	0.7
119.11824	0.9
123.28994	0.4
134.03621	1.0
135.04391	0.8
145.02846	67.3
145.09727	0.8
146.03168	2.5
147.04376	0.8
149.05972	6.1
162.03119	6.4
163.03886	1.1
171.04446	0.7
173.02342	0.4
174.03102	1.1
175.03842	1.6
177.05466	100.0
178.05807	3.4
186.05438	0.5
187.07436	0.3
201.05446	0.6
203.07120	1.0
215.07036	0.4
219.06516	10.8
220.06825	0.4
248.12837	0.9
251.09145	44.9
252.09520	2.1
322.16464	9.4
334.16528	1.0
351.19128	23.7
352.19589	2.0
369.12109	2.2
369.20175	15.9
370.20386	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40897	0.5
72.08138	0.9
83.11855	0.5
84.08127	1.6
89.03895	3.6
92.63839	0.5
94.48508	0.5
101.10764	1.3
115.07542	0.5
117.03384	17.6
118.03712	0.9
119.11808	1.4
126.90385	0.5
134.03622	1.1
135.04375	0.8
145.02847	63.6
145.09698	1.1
146.03163	2.2
147.04347	0.8
149.05983	6.4
159.04350	0.6
162.03108	6.1
163.03854	1.0
171.04520	0.9
174.03079	1.2
175.03912	2.0
177.05470	100.0
178.05803	3.8
203.07053	0.7
215.07106	0.6
219.06523	12.4
220.06816	0.7
224.34993	0.5
248.12738	1.0
249.07605	0.7
251.09151	46.1
252.09567	2.3
280.68387	0.7
322.16504	9.3
323.16922	0.6
334.16968	0.6
337.17755	0.9
351.19131	23.8
352.19577	1.2
369.20215	17.1
370.20551	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.9
56.96571	35.1
67.05508	7.4
69.07078	4.5
69.28633	4.5
79.05511	5.7
81.07063	8.2
83.08623	5.1
85.86522	5.3
91.05478	5.3
95.08640	5.6
105.03391	8.6
105.07010	6.3
145.10170	9.7
153.17792	6.1
201.60739	5.2
213.07994	11.5
229.07491	24.3
241.11200	9.5
247.08560	11.3
251.09468	6.3
260.04880	6.1
269.10623	35.5
287.11597	11.4
299.40808	6.0
333.17438	17.1
339.84256	5.5
351.18481	39.8
369.19690	100.0
387.20551	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.7
56.28869	0.4
56.96565	3.9
57.03447	0.6
57.07090	0.5
58.50351	0.4
60.73703	0.4
67.05499	3.4
69.07089	1.7
69.25195	0.4
69.93508	0.9
69.93827	0.4
71.08649	0.7
71.95334	0.5
75.15359	0.4
78.52057	0.5
79.05505	0.9
81.07052	2.7
83.05010	0.6
83.08643	1.1
91.05523	1.1
92.50881	0.5
93.07088	1.5
95.05051	0.5
95.08649	1.6
97.10197	1.1
105.07079	0.9
106.07438	0.4
107.08648	1.2
109.10212	1.4
110.97610	1.0
119.08620	0.8
121.10215	0.8
128.98627	0.6
133.10205	0.5
149.77083	0.5
173.11833	1.0
185.04913	0.7
199.06418	2.1
201.08090	1.0
203.05986	0.5
211.06563	1.4
217.07683	1.8
229.07492	12.5
229.14404	1.0
230.07915	0.7
243.09151	0.6
247.08562	7.4
252.09201	1.0
257.07101	0.6
258.07953	0.8
269.10907	0.7
277.21622	1.0
309.17548	0.7
311.12695	0.6
333.17307	4.0
351.14871	0.9
351.18365	4.1
351.25409	0.9
369.22772	100.0
370.23126	7.8
370.27097	0.5
387.20648	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	369.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53933	0.5
53.03930	0.8
55.01867	4.8
55.05509	4.5
56.80454	0.5
57.03432	2.9
67.05501	5.9
69.07074	5.5
69.91585	1.7
71.05003	0.7
71.08642	0.8
73.89213	0.5
79.05489	4.3
81.07056	24.6
83.04983	3.3
83.08616	2.5
91.05489	3.5
93.07047	4.8
95.04948	1.0
95.08606	5.3
97.06526	2.2
105.07009	4.2
107.08605	4.0
109.06519	10.3
109.10126	3.4
111.04440	16.5
111.08062	0.9
117.07027	0.8
119.08608	4.9
121.10175	4.0
123.08045	1.9
123.11720	1.3
125.05976	5.2
129.07050	0.8
131.08594	2.4
133.10124	3.8
135.08046	2.7
135.11687	4.7
137.05977	100.0
137.09584	1.5
137.13254	2.0
138.06340	3.4
143.08572	0.8
145.10107	1.9
147.08066	1.3
147.11694	6.2
148.11865	0.6
149.09618	3.5
149.13258	1.5
151.07626	2.8
151.11137	0.8
157.10130	2.6
159.11703	1.6
161.09637	6.1
161.13263	2.7
163.11180	3.3
163.14850	1.1
165.09087	2.3
165.12874	0.7
171.11676	1.8
171.52774	0.7
173.13264	0.7
175.11214	4.7
175.14856	1.0
177.12735	0.7
179.10666	2.2
182.64520	0.6
185.13319	0.8
189.12723	1.0
193.12219	1.3
203.17986	5.5
205.19504	0.8
213.16353	2.7
221.18918	1.3
231.17444	8.0
233.11720	1.9
241.15848	1.5
249.18489	10.6
250.18750	0.6
259.16708	0.7
275.12906	1.5
277.17990	69.2
278.18265	5.2
287.12473	1.1
295.19009	11.9
296.19238	0.7
351.21628	10.1
352.22171	0.9
358.87433	0.7
369.15976	0.7
369.22736	7.8
370.23148	0.8
382.69220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
51.99893	4.4
53.03945	5.6
55.05507	16.0
57.07070	14.4
59.05005	5.6
60.08171	4.7
67.05221	3.8
67.05504	32.7
69.07051	19.1
70.67867	4.8
72.13354	4.4
79.05495	25.6
81.07055	43.1
83.08604	14.5
85.06553	10.6
91.05488	44.0
92.29767	4.1
93.07047	55.9
95.04958	28.8
95.08021	6.3
95.08602	87.1
97.06527	14.7
99.04432	4.4
103.05466	5.5
105.07035	64.6
106.07348	5.7
107.04980	7.3
107.08595	60.2
109.06510	6.4
109.10161	45.4
111.08098	40.1
117.07005	16.8
119.08589	100.0
121.06531	9.6
121.10144	50.8
123.08062	12.9
123.11662	10.3
127.87305	5.5
128.06235	9.7
129.06970	15.0
130.07843	4.8
131.08565	49.3
133.06471	5.5
133.10132	69.6
135.08040	26.9
135.11676	23.0
137.04958	5.8
137.05980	96.4
137.09599	13.7
139.07515	12.6
139.11183	6.3
141.07034	5.6
142.07759	12.9
143.08568	28.4
144.09334	8.9
145.10133	66.6
147.08041	26.7
147.11684	20.9
149.09604	32.8
151.07571	4.5
155.08575	14.2
156.09357	14.6
157.10114	46.2
157.13924	5.1
158.10899	10.4
159.08000	18.8
159.11700	50.9
161.09618	13.2
161.13313	5.5
163.07481	6.4
163.11182	7.7
165.06891	7.1
165.09178	5.4
167.08528	8.5
168.09406	7.0
169.10121	21.4
170.10780	6.3
171.11705	30.9
172.12454	6.2
173.09628	8.4
173.13277	28.4
175.14841	45.9
177.09071	12.0
177.12686	8.4
180.09328	6.3
181.10126	11.9
182.10915	4.7
183.11684	30.8
184.12407	5.1
185.13252	18.1
187.11180	12.3
187.14767	37.8
191.14319	5.9
193.10201	9.6
194.10744	4.9
195.11644	17.1
196.12436	10.0
197.13176	24.1
199.11143	10.6
199.14821	21.4
201.09021	4.6
201.12772	12.7
201.16423	7.9
205.15933	14.2
208.12315	4.6
209.13315	21.7
211.11218	25.6
211.14777	13.3
213.12602	6.6
213.16252	5.4
215.14281	7.9
217.15837	5.9
221.13258	7.2
223.14761	13.4
224.15717	6.0
225.16318	7.6
227.14256	6.9
229.12218	20.3
229.15840	5.9
235.14748	5.3
237.16393	6.4
239.18013	6.8
249.16289	5.1
257.15421	8.8
265.19522	15.0
268.22763	7.4
269.15466	11.1
271.16931	10.1
313.18033	5.6
351.23145	24.5
357.19882	4.6
368.42529	14.6
369.24304	55.9
369.42651	8.7
370.24503	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	369.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75112	0.9
55.05510	3.5
57.41294	0.9
65.03937	2.6
67.05492	2.1
67.19167	0.8
67.26896	0.8
68.09822	0.8
69.07062	3.3
75.02368	0.8
79.05490	2.2
81.07066	2.2
84.08177	1.2
86.09706	39.5
89.03914	11.1
91.05441	1.0
95.08611	1.7
97.10188	1.3
103.12363	1.6
105.07058	0.9
107.08562	1.2
115.05456	33.5
116.05801	0.9
121.10168	1.0
129.10265	1.6
137.84399	1.0
143.04921	100.0
144.05246	2.8
144.81270	0.8
149.05989	1.1
150.85387	0.8
209.73277	0.8
210.18495	5.9
212.28177	0.8
227.21164	6.5
228.13829	10.6
245.13957	1.6
245.16496	31.2
246.16766	1.1
253.19139	2.4
320.91263	0.9
369.25333	28.7
369.31415	3.8
370.25687	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.7
55.01884	5.2
55.05514	33.0
57.03439	40.5
57.07066	8.1
65.03936	3.1
67.05508	90.8
69.07063	22.7
70.11737	2.7
70.12067	5.4
71.04993	3.4
71.08636	21.3
79.05495	75.5
81.03448	4.2
81.07060	94.2
83.04985	9.1
83.08621	20.1
85.06542	8.4
91.05480	45.6
93.07048	100.0
95.04974	11.5
95.08611	67.3
97.06539	9.8
97.10191	15.3
99.08089	21.2
105.04532	3.5
105.07030	40.0
107.04960	5.4
107.08598	68.6
108.08924	3.9
109.06519	8.0
109.10159	47.3
111.08103	7.4
113.09650	6.3
117.07034	14.4
119.08590	38.7
121.06538	3.0
121.10146	51.2
123.08065	11.3
123.11704	8.6
123.68806	2.5
125.09637	8.8
129.06996	3.6
131.07014	8.2
131.08553	18.8
133.10109	34.8
135.08058	3.4
135.11694	47.5
137.09586	12.4
143.08549	8.2
145.10141	23.0
147.11708	22.4
149.09541	3.2
149.13251	14.4
151.11159	14.0
152.88062	3.0
157.10074	3.8
159.11699	20.7
161.09691	2.4
161.13303	11.9
163.11162	5.1
163.14859	6.8
165.12717	3.6
171.11700	7.5
173.11867	4.7
173.13300	6.9
175.14810	9.0
177.12770	6.5
177.16306	3.4
179.14320	47.2
185.13264	7.9
187.14828	18.8
187.61411	3.0
189.11201	8.2
193.16023	2.7
195.13785	3.3
199.14883	5.3
201.16451	6.1
203.17967	3.7
205.15895	9.5
207.17374	2.9
213.16393	3.8
219.17502	3.3
221.15475	3.6
221.19066	6.4
227.12732	4.8
229.14305	3.5
235.16890	4.0
237.11298	4.8
241.19496	13.8
259.20627	36.8
277.21631	98.9
278.21884	5.4
295.22540	3.0
332.42267	2.6
351.25305	99.2
352.25562	9.2
369.26193	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	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
55.01859	4.4
55.05511	25.9
57.03439	67.7
57.07087	3.5
65.03935	2.3
67.05505	78.6
69.03389	1.8
69.07072	29.8
71.05002	7.5
73.06565	1.8
79.05492	77.2
81.03413	2.3
81.07056	100.0
82.07358	1.8
83.04979	6.2
83.08626	15.2
85.06538	8.1
86.09696	7.4
89.03944	1.7
91.05482	54.3
92.05779	1.5
93.07045	97.3
94.07389	2.6
95.04974	11.6
95.08607	89.1
96.08952	2.6
97.06525	10.2
97.10162	10.8
99.08091	6.1
104.61428	1.6
105.04527	3.7
105.07031	52.5
107.04991	1.6
107.08595	68.2
108.08945	1.5
109.06520	11.5
109.10157	32.9
111.08069	8.9
111.11697	2.0
113.09660	4.4
115.05456	6.1
117.07026	18.6
119.06134	1.9
119.08575	45.0
120.08910	1.6
121.06495	2.2
121.09270	2.7
121.10147	55.0
123.08072	14.9
123.11696	8.1
125.09637	7.0
129.07005	4.6
131.07074	14.4
131.08571	29.2
133.10121	35.2
134.10469	1.7
135.08022	2.4
135.11687	41.8
136.12076	2.4
137.09601	7.1
139.11201	5.7
143.04916	14.8
143.08563	5.5
145.10135	32.1
147.11690	26.1
148.12045	2.6
149.09607	3.0
149.13277	18.9
151.11177	5.5
157.10130	5.0
159.11670	25.4
160.12015	2.1
161.09747	1.9
161.13260	18.8
163.11186	3.9
163.14795	8.8
165.12775	2.2
171.11671	9.2
173.13217	12.6
175.11301	2.2
175.14851	8.2
177.12761	3.4
177.16444	2.7
179.14360	2.9
181.12140	2.8
185.13190	10.5
187.14815	40.4
193.56042	1.7
199.14819	4.7
201.16383	4.9
203.17952	6.5
205.15918	23.4
213.16403	4.3
219.17473	2.4
221.19011	12.0
229.14386	1.9
231.21065	2.2
241.19568	17.3
245.16487	3.7
255.15784	2.0
259.20569	39.1
269.17374	2.7
277.21625	79.6
278.21960	5.0
279.19904	1.9
293.21085	2.9
295.22687	4.5
351.25290	88.5
352.25705	7.5
369.26065	15.2
369.31671	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	369.2637
Annotation	Cortol
Peak:m/z	Relative Intensity
53.03937	12.6
53.09227	3.0
55.01863	7.8
55.05507	36.0
57.03439	4.4
57.07074	6.6
64.48260	3.5
67.05164	4.7
67.05502	77.3
69.03420	8.0
69.07067	22.2
69.65607	13.0
71.04969	5.3
71.08624	42.3
76.33559	3.0
79.05486	51.4
81.03407	47.8
81.07053	70.1
83.04963	10.9
83.08606	13.7
86.09709	26.3
91.05478	32.2
93.07045	65.6
95.04967	19.5
95.08607	74.7
97.06506	10.1
97.10160	9.1
99.08096	33.7
105.07016	27.4
107.04941	5.7
107.08034	4.1
107.08601	45.4
109.06512	15.1
109.10161	24.8
113.09605	3.7
115.05473	5.7
117.07025	9.4
119.08588	26.4
121.06499	8.7
121.10136	29.0
123.08070	35.5
123.11726	5.1
125.09635	30.7
129.06932	4.1
131.08556	9.6
133.10147	13.3
135.08026	5.5
135.11673	39.7
137.09641	5.1
139.11159	5.7
143.04912	8.2
143.08614	4.5
145.06480	21.9
145.10138	9.2
147.11668	14.9
149.09589	4.2
149.13243	12.1
151.11174	14.6
159.11710	7.3
161.13248	9.6
163.11157	8.7
165.12701	24.9
167.10567	4.5
171.11671	5.4
177.12704	11.0
179.14307	68.8
181.15941	3.9
189.11191	6.3
217.15706	3.8
221.15392	5.5
225.19550	4.7
230.15352	6.3
235.16920	3.5
237.11163	6.2
241.19582	5.7
245.16489	8.5
247.18044	18.8
251.17545	3.6
259.20508	9.5
261.22113	6.9
271.19781	3.8
277.21597	59.0
278.22128	4.9
279.23001	4.6
289.21616	29.3
293.17581	5.5
307.22662	12.4
325.52658	3.5
333.24158	16.6
351.25293	100.0
352.25443	7.2
369.20117	10.9
369.25394	33.8
369.29794	5.0
386.92041	3.2
391.12137	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.0
55.01883	5.4
55.05516	20.0
57.03443	5.7
57.07076	6.1
58.00530	2.4
64.33069	2.4
65.54219	2.2
67.05507	61.3
67.05864	3.3
69.03438	4.0
69.07072	35.5
69.55577	7.7
69.55919	4.0
71.05007	6.5
71.08652	5.6
73.25903	2.4
79.05502	32.2
81.03419	54.6
81.06627	1.8
81.07062	53.0
83.05000	14.3
83.08622	8.8
84.21625	2.1
85.06545	4.2
91.05479	21.8
93.07052	35.5
95.04974	34.4
95.08615	19.0
97.06539	5.1
97.10188	7.0
99.08073	6.0
105.07065	25.1
107.08610	23.6
109.06522	12.0
109.10174	16.7
110.10603	2.5
111.08125	3.6
117.07059	4.6
119.08568	13.3
119.16310	2.5
121.10156	11.0
123.11723	7.1
125.09647	11.6
131.08574	6.9
133.10127	19.4
135.08057	7.5
135.11716	9.5
137.09639	4.4
145.10141	4.9
147.11731	14.0
149.09644	3.3
149.13278	7.0
151.11201	42.0
157.10205	2.5
161.09668	2.4
161.13307	10.6
163.14838	3.8
165.12717	11.7
171.11714	4.7
175.14847	4.2
179.14294	5.9
189.11165	2.8
193.60506	2.7
207.13913	5.1
231.21098	7.9
241.19519	5.2
249.22128	3.2
259.20660	7.2
268.89395	2.6
277.21637	100.0
278.21912	7.2
281.39737	2.5
289.21643	5.1
347.87823	2.4
351.25333	75.8
352.25854	6.7
369.12204	10.3
369.20117	4.4
369.24341	4.4
370.24765	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.0
55.01876	4.4
55.05515	27.6
55.85096	1.7
57.03434	20.4
57.07075	5.2
59.04999	2.8
65.03951	2.2
66.13374	1.6
67.05507	63.4
69.03445	4.8
69.07067	28.1
69.51787	7.1
71.05003	13.8
71.08633	37.0
79.05491	33.1
81.02987	2.5
81.03412	11.2
81.07057	50.2
82.07383	2.1
83.04978	10.1
83.08622	9.3
85.02919	9.2
85.03357	1.7
85.06548	7.1
85.10187	1.9
91.05482	21.4
93.07047	46.7
95.04974	20.3
95.05521	1.9
95.08608	69.0
97.06516	8.5
97.10167	5.8
99.08089	24.3
101.06049	2.4
101.44514	1.7
105.07040	18.9
107.04975	1.9
107.08588	22.0
109.06530	6.2
109.10151	25.7
111.08103	2.9
111.11700	2.0
113.09662	3.6
117.07030	5.2
119.08583	20.1
121.06557	2.7
121.10163	20.9
123.08122	3.1
123.11747	5.1
125.09711	3.8
127.11221	3.7
129.07074	2.4
131.08640	4.9
133.10161	9.2
135.08060	2.7
135.11697	17.0
137.09622	13.5
139.11209	5.8
143.08551	2.9
145.10164	5.0
147.11676	11.7
149.09619	3.4
149.13275	7.7
151.11192	31.1
155.10710	5.7
159.11670	4.0
161.13293	8.2
163.11227	6.5
163.14818	2.5
165.12785	9.3
171.11758	3.7
173.11812	4.6
173.13263	2.7
175.14825	3.6
179.14362	6.2
184.60146	1.6
185.13400	1.8
187.13307	2.4
189.11253	2.5
193.15947	3.1
203.12804	2.2
221.15465	4.9
231.21106	2.7
239.16548	3.8
241.19530	3.1
259.20657	9.1
277.21649	93.3
278.21909	4.5
295.22705	100.0
296.22995	8.1
351.25299	18.1
351.29263	2.3
358.08429	1.7
369.26407	46.1
370.26706	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	369.2638
Annotation	Betaenone B
Peak:m/z	Relative Intensity
53.03939	2.1
55.01875	5.6
55.05260	1.8
55.05513	26.0
57.03442	12.7
57.07071	4.3
59.05003	1.8
59.33142	1.0
65.03951	2.1
67.05505	70.6
68.05813	1.0
69.03427	4.4
69.07066	24.0
70.15202	1.2
70.15543	2.5
71.04981	6.4
71.08631	41.4
79.05040	2.2
79.05493	40.5
81.03423	10.9
81.07059	50.1
82.07379	1.6
83.04986	10.1
83.08615	12.9
85.02882	2.4
85.06539	4.8
91.04942	1.9
91.05482	23.8
93.07045	45.7
94.07394	1.2
94.65320	1.2
95.04972	21.2
95.08607	43.4
95.09221	2.3
96.08989	1.3
97.06525	5.8
97.10161	13.8
99.04453	1.3
99.08101	32.8
101.06010	1.2
105.04520	1.5
105.07022	19.2
105.08399	1.0
105.24315	0.9
107.04971	3.3
107.07921	2.2
107.08592	24.1
109.06519	6.3
109.10154	26.8
111.08082	4.8
113.06052	1.2
113.09638	2.8
117.07028	7.7
119.08578	15.8
121.06535	1.3
121.09378	1.5
121.10153	14.7
123.08044	3.0
123.11700	6.3
125.09624	10.2
127.11157	3.1
129.06990	3.4
131.08554	6.3
133.10136	14.6
135.08081	3.5
135.11713	14.2
137.09605	9.6
137.13300	1.3
139.07538	1.8
139.11179	2.6
141.09166	1.3
143.08578	3.8
145.10115	9.4
146.10510	1.4
147.08145	1.3
147.11708	13.4
149.09581	1.9
149.13298	6.8
149.40131	1.2
151.11185	49.3
152.11499	1.3
153.09070	1.8
153.12704	1.7
155.10680	4.3
157.10132	3.0
159.11693	4.2
161.09648	1.1
161.13248	13.0
163.11186	9.8
163.14822	2.2
165.12749	5.3
171.10289	1.5
171.11717	3.7
173.11743	13.2
173.13249	2.9
175.11156	1.4
175.14799	5.2
177.12781	3.0
179.14308	10.2
183.13837	1.2
185.13260	3.8
189.11217	10.5
189.16374	1.3
193.15932	4.0
199.14822	2.2
207.13774	2.0
210.55270	1.3
221.15355	5.3
227.12743	10.5
229.14362	2.2
231.21118	2.1
235.17007	1.5
241.19507	4.7
242.19893	1.2
245.13812	7.4
249.22174	2.6
253.17984	6.5
259.20566	9.3
277.21631	100.0
278.21902	7.6
295.22675	67.5
296.22946	5.1
345.14536	1.3
351.25308	46.5
352.25571	4.8
369.26315	22.1
370.26849	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	369.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94400	1.7
53.03946	3.7
55.01875	7.5
55.05518	44.1
56.05854	1.9
56.42319	1.6
57.03447	17.4
57.07092	10.1
64.54481	1.8
66.21502	2.2
67.05510	96.7
68.05848	2.5
69.03436	2.8
69.07072	36.7
69.76744	4.5
69.77134	4.2
71.04990	6.5
71.08637	50.3
79.05499	57.7
81.03423	17.1
81.07064	81.5
83.05003	13.8
83.08626	26.6
85.06538	4.1
85.10189	2.1
91.05482	41.0
93.07052	62.4
95.04977	23.9
95.08611	39.7
97.06543	10.8
97.10181	18.8
99.08093	46.6
105.04555	2.1
105.07034	29.2
107.04961	5.4
107.08601	44.8
109.06522	9.0
109.10172	30.6
111.08094	8.0
113.09682	3.4
117.07022	9.4
119.08581	20.1
121.06483	2.9
121.10135	22.5
123.08059	5.2
123.11729	8.1
125.09625	17.1
129.07030	5.5
131.08583	7.4
133.10144	18.0
135.08118	3.4
135.11719	22.6
137.09634	4.0
137.13242	2.9
139.07591	3.5
139.11183	3.6
143.08563	7.8
145.10132	12.1
147.11679	17.8
149.09590	2.5
149.13274	19.8
151.11191	60.9
152.11560	2.3
153.09097	4.2
153.12617	2.2
157.10136	5.9
159.11684	9.8
161.13264	21.4
163.11191	15.3
163.14894	5.7
165.12796	8.2
171.10222	3.9
171.11697	7.0
173.11766	20.6
173.13148	3.3
175.14856	9.2
177.12755	5.5
179.14313	14.2
185.13293	4.8
189.11227	24.9
195.13950	2.5
207.13736	2.7
221.15385	3.6
227.12802	17.7
229.14317	2.8
231.21132	5.4
233.11552	2.4
241.19571	11.5
243.01982	1.9
245.13782	11.8
249.22162	2.6
250.67030	2.5
253.18034	10.5
259.20584	14.4
269.17584	15.2
277.18597	5.1
277.21637	100.0
278.22009	7.4
295.22620	3.7
322.81302	2.1
351.25302	72.9
352.25641	5.6
369.26434	15.5
370.26764	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86958	2.0
52.09270	1.9
53.03954	6.5
55.01876	8.2
55.05519	50.2
57.03444	18.0
57.07078	9.0
60.58260	2.0
65.03947	3.6
67.05510	100.0
67.17295	1.9
69.03439	4.1
69.07076	36.2
69.48259	9.4
71.04998	8.3
71.08631	40.0
79.05502	64.5
81.03439	13.1
81.07064	78.5
82.07402	2.3
83.04993	12.6
83.08620	31.4
85.06544	4.0
91.05485	36.3
93.07053	74.2
94.49435	2.2
95.04984	20.9
95.08618	43.8
97.06523	10.2
97.10193	15.9
99.08106	33.4
100.76389	2.2
105.04542	2.5
105.07040	29.7
107.04982	3.1
107.08602	36.8
109.06506	6.5
109.10166	30.9
111.08089	11.8
113.09595	2.6
117.07047	13.3
117.44261	2.5
119.08595	21.8
121.06408	2.5
121.10162	22.5
123.11688	4.8
125.09628	16.5
129.07082	4.6
131.08594	10.8
133.10124	24.8
135.08087	4.1
135.11681	14.8
137.09625	5.6
137.13263	2.7
139.07550	3.1
139.11221	2.8
143.08603	3.4
145.10132	6.9
147.11746	13.7
149.13228	23.8
151.11194	36.7
151.12354	1.3
153.12775	2.4
157.10146	3.4
159.11707	9.5
161.13289	16.5
163.11183	13.8
165.12794	6.7
167.14377	3.3
171.10341	2.4
171.11734	6.0
171.69434	2.1
173.11826	19.1
173.13208	2.7
175.14838	6.4
177.12798	6.3
179.14328	10.5
185.13226	2.5
189.11249	11.8
195.13779	12.5
213.14905	2.6
217.19604	2.2
227.12773	13.6
229.14397	9.0
231.21075	2.3
241.19597	7.4
245.13800	7.8
249.22040	3.2
253.17915	4.8
259.20624	13.1
269.17499	38.1
277.21661	78.0
278.22079	5.3
331.26917	2.6
351.25354	51.9
352.25742	4.8
369.26352	35.8
370.26761	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.3
53.03948	11.4
55.01874	5.7
55.05515	20.0
57.03442	3.3
57.07081	3.4
59.04970	1.5
59.36484	1.1
61.65530	1.1
65.03936	1.2
67.05508	38.3
67.41017	1.1
69.03426	1.2
69.07069	33.8
71.04993	2.5
71.08620	3.7
79.05494	33.6
80.51590	1.2
81.03421	49.7
81.07062	40.3
81.11745	1.2
83.04987	12.2
83.08630	7.8
85.06553	3.2
85.10162	1.8
91.05484	20.0
93.07056	36.9
95.04977	33.9
95.08610	18.7
97.06522	2.6
97.10171	7.6
99.08070	2.3
105.07044	21.1
107.08598	24.3
109.06520	7.1
109.10172	11.4
111.08114	3.3
112.29951	1.1
117.07003	4.5
119.05994	1.2
119.08606	10.1
121.06564	1.9
121.10168	8.5
123.08105	3.3
123.11720	5.0
125.09651	12.9
127.07451	1.4
129.07008	4.1
131.08588	4.5
133.10149	12.1
135.08052	3.0
135.11687	9.6
137.13205	2.0
143.08551	2.6
145.10132	2.9
147.08067	1.8
147.11716	9.3
149.09647	1.4
149.13242	7.3
151.11189	25.8
152.68387	1.4
153.09126	2.5
155.10709	1.5
157.10156	1.8
161.09671	1.7
161.13260	15.7
163.14838	4.8
165.12808	4.8
165.59885	1.2
167.10704	1.9
171.10271	2.2
171.11710	5.1
173.13159	1.8
175.11104	1.3
175.14873	3.8
177.12773	2.1
179.14314	3.1
185.13284	3.4
189.11220	3.8
189.12784	2.7
199.14853	2.8
207.13754	2.4
221.15337	3.0
227.12878	2.9
231.21115	4.0
235.16884	1.8
241.19528	7.9
249.22202	3.8
259.20605	6.8
277.21631	100.0
278.21915	7.4
351.25284	64.8
352.25638	3.8
369.19992	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	369.264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99200	1.5
53.03950	5.4
55.01884	9.2
55.05515	66.9
56.96578	2.3
57.03441	23.7
57.07074	8.2
58.03756	1.7
59.05007	2.4
65.03935	3.5
66.87373	1.4
67.05509	93.5
67.67421	1.4
68.05820	2.0
69.03442	2.9
69.07071	32.3
70.06584	2.1
71.04985	6.6
71.08634	44.2
72.88358	1.5
79.05497	45.5
79.63954	1.7
81.03423	7.3
81.07061	100.0
82.07400	2.2
83.04984	12.0
83.08627	48.3
84.08974	1.9
85.06545	6.7
85.10194	3.2
91.05485	41.9
93.07050	46.8
95.04979	15.0
95.08611	64.3
96.08914	1.6
97.06532	21.2
97.10173	9.9
99.08098	40.2
101.05968	1.6
105.07037	35.4
107.04988	3.3
107.08603	28.2
109.06516	7.1
109.10155	25.3
111.08092	17.8
113.09671	8.5
115.05441	1.8
117.07025	5.4
119.08598	28.6
119.34597	1.6
121.06524	2.2
121.10143	23.4
123.08084	6.6
123.11700	14.1
125.09641	6.5
127.07538	2.4
129.07018	6.3
130.34515	1.5
131.08569	8.7
133.10144	20.2
135.11716	12.9
137.05997	2.5
137.09634	3.8
137.13254	3.1
139.11209	5.4
141.09135	2.2
143.08565	2.5
145.10144	7.9
147.11702	35.4
148.12038	1.6
149.09628	5.6
149.13271	20.8
151.11186	27.2
151.14815	1.7
153.12737	3.9
155.10602	1.7
157.10149	4.7
159.10355	1.9
159.11726	5.5
161.13264	13.5
163.11209	11.3
163.14856	3.4
165.12764	23.7
165.14044	2.2
167.14355	2.9
171.11685	4.7
173.11765	11.0
173.13193	3.2
175.11220	4.3
175.14824	3.4
177.12715	3.2
179.14346	13.0
185.13203	3.7
189.11336	3.3
189.12790	3.2
191.14247	1.6
193.04112	1.6
193.12309	2.9
193.15889	2.1
195.13893	3.0
207.13850	2.5
221.15451	3.7
225.08104	1.6
227.12756	4.5
229.14430	1.6
231.21155	4.3
241.19536	5.6
245.13773	1.9
249.19951	1.6
249.22226	5.6
253.18031	3.3
259.20581	10.3
269.17502	10.2
276.81693	1.6
277.21640	74.3
278.22116	5.1
295.22742	12.7
310.54089	1.5
351.25275	22.3
352.25690	2.4
369.16394	2.1
369.18546	2.8
369.22421	10.9
369.26410	73.3
370.26794	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03776	3.4
55.01871	7.5
56.05031	6.5
58.06615	3.9
60.72535	3.7
64.99775	5.0
67.05495	9.5
69.03435	90.8
70.06608	3.7
71.04995	35.1
79.05494	34.4
81.07074	12.1
84.04502	80.9
87.04470	9.7
91.05490	16.3
93.07047	30.2
95.04967	16.6
95.08610	7.6
97.02881	6.3
97.06493	3.7
99.04454	100.0
99.05075	6.4
102.05555	29.8
105.07047	16.9
107.04955	96.1
107.08589	23.5
109.06491	7.8
111.04492	5.3
115.03938	15.4
117.07049	9.1
121.06510	61.5
121.10146	12.5
130.05006	93.3
131.04979	4.5
131.08548	20.9
133.10175	5.1
135.04494	3.8
135.08073	59.7
137.05923	4.2
145.06493	9.4
148.06081	18.7
149.05983	36.8
149.09630	43.4
159.08047	15.3
161.09656	7.6
163.07550	55.6
163.11101	4.8
168.90352	4.4
177.09117	62.3
179.10710	5.0
181.08513	7.4
187.07588	12.6
192.09050	3.7
195.10167	51.4
205.08649	39.4
223.09651	35.3
238.09598	4.3
241.10831	4.5
266.08997	5.0
287.60379	3.9
294.12323	4.1
324.14444	8.8
338.11050	36.0
352.14197	8.2
370.14224	16.4
370.19025	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	370.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.2
55.05506	4.2
56.05039	3.2
63.32187	2.2
67.05503	6.1
68.72448	2.6
69.03430	47.1
70.05437	7.5
71.04991	8.8
79.05497	23.8
80.10718	2.3
81.03445	7.0
81.07066	11.8
83.04977	4.3
83.08605	3.3
84.04510	60.4
85.02899	13.5
87.04458	4.5
87.49409	2.8
91.05476	34.3
93.07049	15.6
95.04971	89.2
95.08614	7.3
97.02904	7.1
97.05283	9.4
97.06529	4.6
98.23342	3.3
99.04465	34.5
100.11246	6.2
102.05539	23.8
103.05471	13.3
105.04487	2.8
105.07025	26.0
107.04955	33.6
107.08593	18.6
108.08081	3.5
109.06519	42.9
109.07213	3.2
109.10184	6.4
109.97575	2.1
111.04433	3.3
115.03930	10.2
115.05441	3.9
116.06258	3.8
117.07050	5.0
119.04939	4.0
119.08562	4.1
121.06515	23.4
121.10148	10.7
125.06037	3.0
127.03988	2.7
129.06963	4.9
130.04991	26.5
131.04929	63.8
131.08565	62.6
132.05247	3.0
132.08931	3.2
133.06508	3.6
133.10135	53.7
134.10434	3.3
135.04382	12.0
135.08060	44.7
136.07584	6.7
137.05981	6.6
137.09631	18.4
141.06996	9.4
144.05714	8.3
148.06056	23.3
149.05975	24.4
149.09613	13.2
149.13268	6.9
150.06412	2.5
151.11188	13.1
153.09120	31.0
159.08066	100.0
160.08432	5.5
161.09618	15.9
163.07544	9.9
164.07028	4.7
167.07042	9.2
173.13268	7.6
177.09113	71.9
178.09395	2.3
179.10660	5.2
182.08139	9.7
187.07545	53.6
188.07849	2.8
191.07098	3.1
191.14296	24.2
195.10234	4.4
205.08609	70.0
209.15358	40.0
210.07692	2.6
210.14912	5.4
217.08672	2.7
223.09604	12.3
225.16000	4.2
227.17661	2.3
228.08678	29.5
242.11710	2.2
253.15407	3.8
260.12808	6.6
288.12268	5.1
289.71594	4.3
290.84070	2.2
306.13318	15.3
316.11810	2.9
319.90784	2.3
334.12936	6.8
352.13916	57.9
353.10410	2.5
353.14368	6.4
353.25064	5.4
370.15198	15.9
370.23126	3.2
371.10626	2.6
371.16360	7.1
391.11081	2.7
393.47485	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	370.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.5
57.03438	9.8
59.05003	3.0
67.05506	50.7
69.07067	0.7
69.46944	2.3
71.04987	1.8
79.05482	0.8
81.07054	5.9
83.08618	4.3
84.08131	0.9
85.06535	1.6
91.05467	3.1
93.07040	2.1
95.08604	2.8
107.08600	1.1
109.10158	51.1
110.10497	2.0
111.08082	1.9
119.08575	4.3
137.05980	2.2
137.09612	2.5
139.73393	0.7
155.10634	5.1
173.11739	17.2
174.12202	0.7
177.05502	0.9
180.13873	1.7
187.07690	0.7
198.14920	2.2
217.08636	1.7
229.14349	100.0
229.59178	0.7
230.14702	3.8
247.09833	0.8
285.07529	0.7
300.09985	1.1
309.11172	0.8
321.11139	1.1
334.14145	1.2
352.15179	6.8
353.14035	2.0
370.15787	1.3
370.20242	0.9
371.16376	2.0
383.88626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1862
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
52.42113	0.3
53.23972	0.3
61.02918	0.9
65.03932	0.3
69.03428	1.5
69.15925	0.6
69.16335	1.6
71.04989	0.4
72.04516	1.8
73.02876	0.3
79.05514	0.7
81.03429	0.5
81.07059	0.4
83.08604	0.3
85.02912	3.0
89.03916	2.0
91.05479	3.6
97.02898	1.2
99.04411	0.4
100.07607	2.3
100.11277	0.8
101.71464	0.4
105.03385	1.2
107.04947	1.6
109.02856	0.4
111.30505	0.3
112.22181	0.3
119.04947	11.3
119.08569	0.4
121.06530	0.6
127.03939	0.4
135.04419	44.8
136.04721	1.5
145.05013	0.8
175.38501	0.3
178.12230	0.4
207.09935	1.0
208.13327	100.0
209.13655	4.9
239.09523	0.4
327.14120	1.1
344.02252	0.4
370.15762	2.2
370.23282	0.4
370.28952	0.5
371.12964	10.7
371.16672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.9
55.05505	9.7
57.07073	4.5
59.05004	2.0
62.06084	4.6
67.05505	12.6
69.03429	3.4
69.06706	3.1
69.07068	46.5
71.04995	14.0
71.08619	1.9
74.28032	1.6
79.05499	13.8
81.07058	65.0
83.04980	3.6
83.08636	13.6
84.04495	2.4
85.06541	36.2
85.17867	1.5
91.05473	4.0
93.07050	32.3
95.04940	1.6
95.08607	65.8
96.08955	2.4
97.10158	6.4
99.08092	11.1
102.05548	2.2
105.07043	7.8
107.08595	29.0
109.10162	28.2
111.08080	6.6
113.09638	13.7
119.08580	4.6
121.10143	82.4
122.10491	2.4
123.11704	2.0
125.09650	2.6
130.05000	3.4
130.18478	1.7
131.05394	1.8
135.11729	10.7
135.12610	1.7
137.13249	15.3
139.11136	8.1
145.10168	3.0
147.11691	3.2
147.86977	1.6
148.06026	3.8
149.13310	4.3
151.02596	1.5
176.41133	1.7
177.16386	100.0
178.16722	6.1
193.12236	1.7
195.17409	11.3
205.15942	2.1
222.31190	1.9
223.16920	19.8
233.11729	1.9
241.17984	67.4
242.18269	3.5
268.06494	1.6
299.26077	1.9
327.42606	1.9
370.16583	2.8
370.22119	4.8
371.18256	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	371.0742
Annotation	Unknow
Peak:m/z	Relative Intensity
59.71512	13.4
62.66240	12.0
71.45836	16.3
77.32492	12.8
85.17725	12.7
90.42642	11.4
91.05840	21.3
94.65401	13.3
97.02900	22.0
98.59835	12.7
98.97594	16.9
101.06036	18.8
111.04472	16.3
129.05461	26.1
130.22852	15.1
131.66991	15.8
147.06490	17.1
168.43971	14.8
205.04852	20.7
256.37000	14.4
298.00342	14.1
300.26880	13.4
311.10352	17.9
346.96121	25.3
371.07245	100.0
371.12338	74.5
374.12088	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	371.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12310	19.1
67.05493	34.5
69.59875	45.6
69.60252	43.0
85.02895	42.9
88.35859	18.3
88.64052	20.1
93.07002	26.4
97.02879	28.3
98.22743	25.2
98.98473	19.0
101.06020	33.8
121.06506	24.4
129.05498	32.5
129.84007	18.1
136.68942	20.3
137.05972	22.2
145.02834	27.6
149.05989	21.5
167.07039	60.1
177.05330	25.1
181.08575	32.7
193.08614	64.3
209.07979	27.2
215.25157	18.0
230.14714	27.4
310.11191	23.3
371.16147	100.0
371.20465	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	371.1468
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	14.0
69.09544	31.2
69.09958	19.8
70.06598	8.8
71.08634	8.7
81.53864	7.9
85.02938	10.7
91.05424	12.0
94.52614	8.3
96.27128	8.5
97.02888	8.4
101.06013	8.9
116.98563	9.5
129.05534	15.9
137.05923	9.6
147.06473	13.8
151.03831	9.3
151.35742	8.3
167.07011	13.0
177.05545	15.5
193.08707	9.6
204.77000	9.1
209.91519	7.5
230.14708	20.2
371.14816	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27318	4.7
69.16508	28.0
70.06578	21.8
78.10516	5.8
78.39536	4.7
79.05495	4.5
91.05433	5.0
93.07039	7.7
95.04964	5.7
98.22659	7.4
101.06008	8.4
103.05410	7.4
105.07062	5.5
109.06534	9.7
112.62546	4.2
119.04869	4.4
120.08080	19.6
121.10137	6.4
129.05463	7.6
131.04872	6.5
132.05661	9.5
133.10141	8.4
147.04439	5.2
147.06509	8.7
156.07704	6.9
185.04210	7.6
191.14340	11.5
192.07751	16.5
206.05914	5.3
209.11435	40.8
219.41325	6.2
233.47040	4.6
238.38481	5.5
280.06091	13.4
353.72894	4.5
359.59332	5.4
366.13916	4.8
371.14102	100.0
371.16415	84.1
372.10706	12.8
372.14627	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	371.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02406	1.0
68.04657	1.1
68.29193	1.3
70.06592	1.6
70.62996	2.7
91.05531	1.2
100.11285	1.3
101.05992	1.8
110.07228	1.2
120.08139	2.1
129.05484	1.9
137.06013	4.1
140.49013	1.3
142.58069	1.2
167.07121	2.8
185.04184	14.3
187.07590	1.5
191.10420	7.2
209.11494	47.1
210.11882	2.3
217.08734	3.5
223.29984	1.3
285.07346	1.2
288.61465	1.2
300.09955	1.5
353.13831	2.1
371.16931	100.0
372.17322	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	371.147
Annotation	LMPK12070002
Peak:m/z	Relative Intensity
55.05507	13.9
67.05492	6.6
69.03425	6.5
69.45220	17.4
71.05010	5.9
75.50215	3.7
76.08020	3.7
79.05503	7.6
81.06203	3.9
81.07052	10.3
83.04990	4.4
83.08638	6.7
83.25796	3.5
83.80251	3.6
85.02894	16.5
85.06536	4.6
91.05474	7.9
93.07040	11.0
95.04971	45.7
95.08599	5.8
97.02857	8.4
98.97588	12.9
99.04438	12.4
100.11251	18.9
101.06025	6.8
105.07038	9.1
107.04922	6.4
107.08582	10.9
109.06541	7.8
109.10144	4.4
111.04435	6.1
115.05427	3.7
116.53451	4.1
116.98655	4.7
119.08546	7.0
121.06519	7.6
121.10178	8.1
123.08109	4.1
127.03944	3.9
129.05525	8.0
133.10176	22.3
135.08034	3.8
147.06525	5.3
147.11639	5.5
149.09599	4.4
149.13300	4.1
151.07530	4.7
153.09117	16.0
155.07022	4.6
163.03886	6.8
167.07056	8.9
173.13252	11.0
182.15321	5.5
191.14288	16.0
193.08646	6.8
209.15321	15.4
210.14978	9.4
276.72592	6.0
315.39343	3.9
332.92126	4.0
362.27277	6.8
362.77399	6.4
371.14905	100.0
371.22385	8.2
371.23547	5.6
372.15643	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	371.1491
Annotation	Fragransol D
Peak:m/z	Relative Intensity
55.01879	4.3
55.05498	5.7
56.84633	3.3
57.20064	3.5
61.23333	3.5
69.30797	17.9
71.05003	6.1
71.08669	3.4
79.05473	10.2
81.07099	3.4
91.05487	11.0
93.07123	3.5
93.23093	3.9
95.04958	5.9
101.06001	7.0
105.07019	5.9
107.04957	23.8
111.55516	3.4
120.08068	4.4
122.03650	12.9
123.04433	4.6
125.06034	3.6
128.06207	5.5
129.05481	5.7
129.06987	10.8
131.08591	11.0
137.05975	100.0
144.05681	10.1
145.06480	5.7
147.04388	6.1
147.07967	4.3
156.05719	19.3
157.06407	8.5
159.08023	18.5
162.36472	3.3
163.07541	3.8
167.07025	48.9
174.06754	6.1
175.07541	14.1
177.05457	8.6
181.06508	4.7
184.05193	6.3
186.06798	5.4
187.07535	26.3
189.07045	4.4
189.09094	7.1
189.92990	3.9
202.06238	7.4
202.07906	5.5
203.05241	4.5
203.08577	8.0
205.06645	4.5
205.08519	8.7
206.07300	4.8
207.08125	5.6
209.11467	3.9
210.93398	3.7
211.07635	8.5
215.06938	5.8
215.08781	5.4
217.06499	4.1
217.08571	70.0
218.07239	14.8
219.08054	12.6
219.10066	5.1
220.08778	3.8
221.09618	8.6
224.04683	6.2
231.07999	6.6
232.08873	7.8
233.09625	17.2
234.06755	12.5
235.07417	6.6
237.05417	5.6
239.06973	18.9
241.08598	19.7
243.26732	3.8
246.06808	6.9
247.07452	8.5
247.09679	34.6
249.09171	20.4
250.09894	10.3
251.07008	5.6
252.07814	11.4
257.08044	4.9
260.08249	5.9
261.09042	24.7
262.06296	5.3
262.09662	5.0
263.07086	16.0
264.07822	5.9
266.09326	7.9
269.08136	7.0
271.05878	4.6
277.08563	25.7
278.09314	11.8
280.07339	7.0
281.11780	7.7
283.09775	4.0
285.07605	45.8
286.08237	5.1
289.08487	9.7
293.08600	6.6
293.11588	24.8
295.09644	6.8
298.08441	4.3
300.09998	47.1
301.10687	23.7
306.08856	6.8
307.09628	7.6
309.11243	27.1
310.11627	4.5
313.10657	10.5
321.11279	34.2
323.09198	5.7
326.11523	11.7
338.11551	5.7
341.13885	14.2
341.70386	3.7
353.13821	68.4
371.14685	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	371.1491
Annotation	Fragransol D
Peak:m/z	Relative Intensity
63.93311	1.9
65.75964	1.9
71.46094	2.3
78.04710	2.3
79.05490	6.9
83.08675	2.0
85.02886	5.1
89.16699	2.0
91.05463	3.2
95.04991	2.4
97.02872	2.0
101.06011	5.0
103.03922	2.3
103.05410	2.7
105.07052	7.6
107.04948	14.5
109.06521	3.0
111.04436	4.5
115.05457	2.3
117.51811	1.9
119.08559	2.9
123.04423	6.4
124.05254	3.0
128.06204	3.1
129.05449	5.0
129.06999	7.6
131.04961	4.4
131.08514	2.2
132.05670	3.1
133.06487	6.4
134.51796	2.1
137.05978	6.7
137.39186	2.2
143.04944	2.1
144.05753	2.7
147.06517	3.2
147.08037	3.9
151.11142	3.7
159.08038	5.8
159.31476	2.1
161.05997	10.3
165.12753	5.2
167.07042	100.0
168.07420	4.7
172.05176	2.7
175.07545	26.0
177.05392	2.3
184.05290	2.2
187.07542	32.3
188.08054	2.6
189.09064	4.6
191.07021	7.2
199.07492	7.2
203.08662	2.7
206.07188	2.8
209.15367	10.0
215.08505	3.1
217.08603	4.1
218.07219	5.1
221.09509	4.9
233.09660	3.1
234.06822	3.4
247.09779	3.7
249.09189	8.4
250.09538	3.6
251.07022	2.3
261.09167	4.3
277.08554	2.3
278.09033	2.7
281.11734	8.7
289.08630	3.1
293.11597	2.7
306.08972	2.0
307.09470	2.6
309.11206	13.4
320.27374	2.6
321.11377	9.6
341.13904	13.7
353.13818	8.9
371.16904	10.9
371.20651	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.8
67.05476	2.0
70.04861	2.9
70.05199	2.7
70.06587	2.0
71.05000	1.9
73.02918	4.0
79.05493	4.6
80.36124	1.5
89.06050	4.7
91.05500	6.5
94.04223	1.6
98.23355	2.9
101.06047	2.0
105.07037	1.6
107.05002	7.4
110.10560	2.2
111.04456	4.1
115.05502	2.0
115.41346	1.8
119.08623	2.6
122.03705	2.0
128.06245	1.9
129.05527	2.7
129.07063	7.5
131.08606	5.5
133.02875	2.2
137.05988	34.8
137.06982	2.2
144.05797	2.3
147.06552	2.8
150.08968	7.2
151.03937	3.3
151.07588	3.4
156.05771	7.4
157.06517	4.1
159.08122	7.3
161.09644	3.9
167.07068	15.9
173.75281	1.5
174.06789	2.7
175.07564	4.2
176.91583	1.6
177.05527	3.1
181.04974	2.3
184.05150	2.2
187.07559	10.6
189.07298	1.6
189.09192	7.6
190.07909	2.3
202.06345	4.1
203.08702	3.2
205.06609	1.7
205.08562	2.5
209.07927	4.0
210.11009	100.0
215.08762	1.9
217.08600	28.5
218.07408	7.0
219.08115	2.5
223.07681	3.2
226.06392	2.7
230.14854	2.5
231.08229	5.3
232.08926	2.6
233.09708	6.3
234.06941	3.4
235.07515	3.7
239.07141	4.5
241.08748	7.9
242.05727	2.1
247.09645	14.1
248.08516	3.0
249.09254	4.4
250.09911	2.5
252.08038	4.5
261.09204	9.3
262.09882	2.4
263.07120	4.7
264.07904	2.7
266.09567	3.0
269.08246	2.8
271.06152	2.5
277.08774	7.4
278.09546	5.3
279.06793	1.9
279.10214	4.0
281.11890	4.9
285.07611	13.3
289.08694	2.7
293.08734	1.8
293.11917	7.7
294.08829	2.4
300.09842	10.0
301.10876	7.0
306.08994	4.1
307.09787	2.8
309.11142	10.0
313.10867	3.3
321.11163	14.0
322.11880	2.3
323.09213	4.9
326.11737	4.8
338.11517	4.0
339.12305	3.0
341.13965	6.7
353.13831	29.9
371.16846	65.6
372.16333	66.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1596
Annotation	thioridazine
Peak:m/z	Relative Intensity
57.35612	2.5
66.63179	2.1
70.13091	2.5
71.08609	2.8
73.56239	2.2
79.05508	2.5
81.07059	2.9
101.05960	4.2
107.08601	3.3
114.80974	2.5
139.37051	2.3
145.06474	2.3
150.71849	2.1
177.05406	5.6
178.05818	12.4
179.06595	7.8
191.06931	2.6
233.11658	8.6
234.12090	36.1
279.08954	2.5
287.75140	2.2
331.15927	4.0
334.06732	3.8
349.16870	10.4
371.15784	100.0
372.16299	4.8
372.24265	2.9
389.16031	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	371.1597
Annotation	thioridazine
Peak:m/z	Relative Intensity
51.51099	6.3
55.05503	12.1
55.30030	6.4
57.07082	9.1
61.82370	6.2
87.04475	12.5
95.08614	7.3
107.08588	8.8
118.70337	6.7
121.10121	7.5
146.11720	7.3
181.05090	8.1
238.11673	7.8
265.82196	7.0
268.26563	10.5
294.17764	9.9
349.16870	9.0
371.15982	100.0
372.16440	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	371.162
Annotation	Thioridazine
Peak:m/z	Relative Intensity
66.94385	3.5
69.35593	4.2
69.67559	18.5
70.46922	4.0
81.07036	8.8
89.50956	3.9
96.42772	4.5
98.23432	5.2
147.06564	6.9
371.16223	100.0
371.21426	6.9
372.16675	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	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81217	1.8
56.47179	1.8
70.06597	5.2
71.46118	2.7
85.02933	2.3
92.19687	1.8
100.11289	2.4
101.06025	2.2
110.07195	2.6
111.04442	3.4
120.08151	6.7
129.05502	3.8
137.06013	3.7
147.06589	3.2
156.07747	2.3
185.02747	3.5
185.04189	16.3
191.10500	3.9
192.07875	2.0
209.11479	51.9
210.11853	3.4
217.08681	3.3
219.57062	2.2
249.09093	1.8
271.09970	1.8
321.11026	2.7
353.14041	2.3
371.13519	8.3
371.16940	100.0
372.17371	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	371.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.7
55.05494	1.0
61.36358	0.6
67.05543	0.7
70.06605	4.0
71.08624	0.7
72.08157	1.2
83.05003	0.8
86.09696	1.4
91.05515	1.1
93.07053	1.2
97.39873	0.7
101.06009	0.9
110.07188	2.5
111.04455	1.1
119.04951	0.8
120.08101	5.7
121.08526	0.8
127.57582	0.7
129.05498	1.1
133.10167	1.2
137.05988	1.0
144.19565	0.7
147.04449	3.9
147.06531	0.8
156.07706	1.6
167.07094	0.9
185.04214	13.6
186.04510	0.8
191.10411	5.8
199.72929	0.7
209.11487	66.2
210.11899	1.8
217.08694	1.4
240.05247	0.8
297.66446	1.6
371.13525	6.1
371.16818	100.0
372.17227	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	371.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	3.0
56.61615	2.3
64.15803	2.2
70.20980	5.7
70.39196	2.5
74.38366	2.3
80.73653	2.3
84.08157	2.8
87.04485	4.7
89.06036	98.8
96.95782	10.3
98.22743	4.6
101.06026	4.7
107.07089	2.8
111.04455	4.7
114.09145	2.3
124.95284	2.4
129.05470	6.3
133.08606	51.7
147.06551	7.2
169.97275	3.0
177.11221	12.4
190.75087	2.9
244.02402	4.1
244.98567	2.7
286.03714	11.7
316.71432	2.4
330.02582	6.4
371.16824	100.0
372.17386	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	371.1679
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
69.50861	0.3
69.51213	1.0
86.00752	0.2
89.06018	0.7
98.23392	0.4
101.05958	0.3
133.08589	0.3
158.04433	0.2
175.50873	0.3
191.14310	0.3
197.61803	0.3
203.05304	0.4
209.11487	1.1
210.11063	1.2
228.32500	0.3
251.12567	0.4
292.56516	0.2
371.16766	100.0
372.17010	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	371.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	0.6
69.25755	0.3
70.09725	0.4
71.46561	0.4
79.05493	0.8
82.27121	0.3
82.58968	0.4
85.18037	0.3
85.53665	0.4
89.06023	0.4
91.05460	1.0
95.04975	0.5
101.06012	0.8
107.04958	1.4
109.10168	0.4
111.04440	1.1
115.05444	0.5
116.26320	0.4
122.03638	1.0
129.05481	0.9
129.07021	1.0
131.08568	0.8
137.05984	5.8
144.05698	0.6
147.04398	0.5
147.06482	0.8
149.09660	0.6
151.03934	0.5
156.05705	2.1
157.06441	0.7
159.08046	1.7
165.01872	0.9
167.07034	3.4
174.06779	0.5
175.07565	1.2
177.05466	1.1
181.04980	1.4
187.07600	1.3
189.00714	0.4
189.09131	0.7
191.10419	6.3
191.14297	0.4
191.42108	0.4
202.06264	0.6
203.05258	14.8
203.08337	0.6
204.07797	0.4
206.07278	0.5
209.07826	0.6
209.11580	0.8
210.11148	0.4
217.08557	4.7
218.07187	0.5
219.08073	0.7
221.09491	0.7
230.14709	0.7
231.08057	0.6
234.06728	0.6
235.07486	0.9
239.07126	1.2
241.08632	1.2
246.06726	0.5
247.09639	2.5
249.09158	1.5
250.09680	0.5
251.07204	0.5
252.07756	0.4
261.09167	1.9
262.09854	0.4
263.07251	0.8
269.08173	0.5
271.06030	0.6
277.08643	1.5
278.09164	1.0
281.11801	0.5
285.07687	2.0
286.07962	0.5
289.08609	0.7
293.11697	0.9
294.08710	0.7
299.05579	1.9
300.09906	2.3
301.10782	1.4
307.09622	1.0
308.06915	0.5
309.11105	1.8
313.10818	0.8
321.11203	2.3
322.11832	0.7
323.09009	0.9
326.11496	0.8
341.13913	1.1
353.13763	5.2
371.16776	100.0
372.17099	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	371.168
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
55.05510	1.3
65.03947	1.8
66.25846	0.8
69.03432	0.8
69.52444	3.4
70.06582	1.3
79.99378	0.9
86.09701	1.3
89.06027	2.5
93.03411	3.0
95.01357	1.3
97.02900	3.3
100.11230	1.1
101.06020	1.5
110.03703	0.8
111.04456	5.8
113.02376	1.8
123.00755	2.8
124.40792	0.8
125.05985	4.5
128.07001	1.0
129.05443	2.0
133.08559	1.5
139.31935	0.8
141.01830	1.7
143.03433	1.3
147.06526	1.8
151.03883	1.6
169.01254	1.2
169.04970	15.0
198.57071	1.1
210.14891	1.7
231.03072	1.0
257.58960	0.9
371.16769	100.0
372.17108	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	371.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10030	0.8
55.05498	2.1
55.31995	0.8
61.69950	0.9
61.97461	1.2
62.98253	2.0
66.78008	0.8
67.05507	5.8
69.07072	1.4
69.17258	4.0
69.17657	1.6
77.96953	3.9
79.05521	2.0
81.03449	1.2
81.07058	2.4
91.05480	1.7
95.08643	1.7
101.06017	1.7
103.98470	5.0
107.04970	1.4
109.10169	3.2
110.74602	0.9
116.99277	5.0
119.68850	0.9
125.09645	1.3
129.05482	1.1
145.02330	2.3
151.07542	26.2
188.07838	3.5
193.04202	1.2
195.10037	1.9
217.08200	1.0
229.14337	1.6
247.09166	8.1
259.09116	3.1
273.10754	7.7
283.12854	13.2
311.70773	0.9
331.18616	1.6
353.16974	17.4
354.17493	1.7
371.18054	100.0
372.18167	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	371.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65659	1.8
50.86847	1.6
52.88734	1.5
55.05510	3.5
58.62665	1.7
59.87241	1.4
62.98251	2.0
73.06535	2.2
77.96946	3.2
81.07066	2.3
81.78524	1.5
83.04965	2.4
84.02466	1.4
101.06035	1.9
103.98481	5.6
105.07009	3.3
105.45319	1.6
111.04482	2.2
114.91128	1.7
115.07583	4.9
116.99287	5.5
131.08586	2.0
145.02330	2.2
151.07516	1.7
159.03964	2.0
173.05481	11.2
177.05511	1.9
201.82416	1.7
211.13268	4.0
229.89384	1.8
230.08928	3.5
283.12744	3.4
284.10022	3.5
353.16949	17.5
371.18066	100.0
372.18381	7.9
387.21198	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
58.04811	1.0
67.05505	1.1
71.65935	1.0
79.05484	0.9
81.07059	1.1
95.08614	1.1
114.62591	0.9
129.05478	1.7
260.57574	0.9
271.71213	1.3
284.33481	0.9
356.02362	1.0
371.18311	100.0
372.18570	8.1
389.19461	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39071	1.1
55.05519	1.8
65.51215	1.4
67.05513	2.9
67.93374	1.1
69.03434	4.1
69.07092	1.2
70.74376	2.1
71.05038	1.5
75.57537	1.1
79.05502	3.4
81.07063	7.8
82.08120	1.3
83.04994	1.8
85.02900	1.7
87.62877	1.2
91.05482	5.9
93.07079	2.5
95.04966	10.3
96.44501	1.1
99.04481	1.7
105.07007	5.7
107.04971	1.4
107.08581	16.4
109.06495	8.3
109.10173	6.3
117.07053	2.8
119.08618	4.3
121.10165	7.2
122.07305	5.1
131.08577	1.7
133.10129	100.0
134.10451	6.7
135.08060	10.4
135.11618	2.3
137.09616	71.5
138.09914	2.3
145.10194	1.5
147.11685	2.6
149.13274	9.3
153.09164	2.9
163.14697	1.5
173.13257	6.9
181.76904	1.2
191.14305	37.0
191.15952	2.4
192.14752	1.4
209.15335	8.5
294.48303	1.3
371.16669	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	6.8
64.71474	2.3
67.05500	6.4
69.03436	5.7
69.54899	9.5
70.06580	4.0
79.05513	5.6
81.07050	9.2
86.09689	2.7
89.06044	3.3
91.05484	7.5
93.07050	5.8
98.22695	2.9
101.06033	4.6
105.07039	7.9
106.25723	2.7
107.04941	7.7
107.08583	14.1
109.06525	5.6
109.10149	7.7
111.04405	2.5
118.87379	2.8
119.08595	3.0
120.08118	3.0
121.06527	3.5
121.10117	12.8
122.07288	7.5
123.04416	2.7
123.08074	3.6
126.13907	2.6
129.05493	2.9
129.07089	3.6
131.08571	4.9
133.10126	100.0
134.10464	4.2
135.08067	11.1
135.11737	2.9
137.05966	11.6
137.09599	52.7
138.10040	3.5
147.04332	3.0
147.06520	5.4
149.13292	10.0
156.05698	2.8
159.08037	2.7
166.08705	3.2
167.07043	17.6
173.13246	5.9
175.07504	5.9
187.07486	4.8
189.08963	2.9
191.14299	40.8
192.07901	3.5
197.66982	2.7
202.06110	2.5
209.01823	3.0
209.11501	5.9
209.15408	7.1
216.15541	2.8
217.08586	16.7
228.53047	2.6
233.09685	3.3
247.09712	3.9
248.33559	2.4
280.06006	3.5
281.11655	3.3
285.07553	3.8
289.80121	2.7
293.07883	2.5
293.11755	3.2
301.10815	3.4
307.09711	4.5
309.11279	3.6
312.08701	2.5
321.11353	4.7
326.11533	4.1
339.12259	5.5
353.13806	6.1
371.17227	23.5
372.27545	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	371.2066
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
53.66278	1.9
55.05511	7.7
59.04997	2.1
61.02917	3.2
62.99351	2.0
67.05505	5.0
69.03429	13.5
69.07059	9.8
70.70689	3.6
71.04989	4.7
79.05487	7.0
80.19427	1.9
81.03408	4.2
81.07062	10.2
83.04996	14.6
83.08613	5.9
84.04475	2.4
84.35120	2.0
85.02910	10.7
85.88105	2.1
91.05453	6.2
93.07046	5.8
95.04967	9.2
95.08606	21.7
97.02901	4.2
97.06521	5.0
97.17773	1.9
99.08108	5.0
101.05986	1.9
103.05485	2.3
105.07040	8.1
107.08598	32.7
109.06516	7.1
109.10149	16.1
111.04437	3.7
111.08131	3.7
119.08594	4.0
121.06524	4.3
121.10149	36.9
121.60791	2.1
122.10478	3.0
123.08054	7.4
123.11702	4.7
125.09641	16.7
127.03939	2.9
129.05464	3.5
131.04973	2.8
131.08551	6.4
132.05246	2.3
133.10138	15.0
135.08073	12.0
135.11679	8.2
136.08406	2.5
137.06079	2.7
137.09601	3.6
138.08908	2.0
139.11176	5.6
145.10071	2.2
147.06500	4.3
147.11687	9.1
149.09612	10.9
149.13261	21.7
151.03838	2.1
151.11177	100.0
152.11534	3.5
153.09071	4.7
158.10919	2.2
160.08429	3.1
161.09763	2.7
162.64598	2.0
163.14810	13.4
165.12758	7.3
167.10625	2.6
173.13264	16.5
174.13594	2.2
177.05481	2.1
187.07399	2.5
189.12830	2.3
190.76498	2.3
191.14311	91.3
192.14594	5.5
206.08958	2.7
209.15366	70.4
210.15640	4.5
251.95575	1.9
258.53018	2.1
260.19812	2.7
296.16544	2.2
318.21454	2.0
333.62048	2.0
353.14114	2.3
363.97595	2.0
371.10965	51.7
371.15286	4.0
372.11505	4.2
380.42856	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	3.0
57.07073	1.9
59.83413	1.7
61.02927	1.5
67.05512	5.0
69.03428	4.7
71.04998	6.9
73.44184	1.5
79.05493	4.0
81.07059	4.2
85.02902	11.4
85.06539	3.2
91.05488	3.8
93.07071	4.4
95.04971	3.9
95.08609	4.1
95.67168	1.4
97.02908	4.3
98.97631	1.5
101.06038	2.0
105.07053	6.3
107.08577	7.2
107.18204	1.4
109.06521	84.7
109.10163	17.9
110.06879	2.0
111.04433	2.1
111.08103	2.2
117.07020	2.6
119.08615	1.6
121.06475	1.7
121.10162	6.6
123.08080	12.5
127.03927	1.8
129.05498	2.4
131.08583	7.8
133.10143	7.3
135.08057	33.5
145.05009	1.8
145.10141	3.1
147.95155	1.6
149.09615	2.5
149.13202	1.8
153.09113	3.2
164.79347	1.6
173.13254	15.0
180.07735	1.5
185.04256	4.4
191.14307	48.1
191.15942	2.9
192.14537	3.0
199.56264	1.6
209.11479	43.6
209.15355	26.1
210.11929	2.3
371.16800	100.0
372.17233	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01875	1.7
55.05503	1.3
57.03424	3.0
59.04994	1.0
61.02924	5.1
65.34882	0.6
67.05490	2.4
69.03426	13.3
69.07032	1.7
69.43523	3.3
71.04984	1.9
71.87862	0.7
73.02910	1.8
78.04715	1.0
79.05493	2.6
81.03416	7.8
81.07055	4.4
83.04966	1.9
83.08633	0.8
85.02905	30.0
85.03416	1.6
91.03938	1.9
91.05477	1.8
93.07036	2.4
95.04978	3.3
95.08608	3.8
96.62301	0.6
97.02898	8.8
99.04433	1.8
105.07021	3.9
107.04961	3.8
107.08608	6.2
109.02848	2.1
109.06530	6.8
109.10134	1.8
115.05420	1.0
119.08560	2.9
121.06470	0.7
121.10136	8.1
122.07242	0.9
123.04407	1.7
123.08084	5.2
123.11716	2.5
124.05243	1.0
127.03893	6.0
129.06970	2.0
131.08572	1.2
133.06526	1.5
133.10092	1.4
135.08037	1.7
135.11722	0.9
137.05991	0.8
137.09607	7.2
137.13301	1.0
145.04953	6.7
147.11752	1.1
149.09634	6.0
149.13240	5.7
151.11182	29.8
152.11530	1.6
159.08022	1.5
161.05991	1.6
165.12753	44.6
166.13127	1.4
167.07042	17.4
169.06738	0.7
172.05182	1.0
173.13182	1.4
175.07550	4.3
187.07516	3.9
191.07030	1.4
191.14337	6.1
193.15904	3.3
199.07559	1.2
206.07416	0.8
209.15366	100.0
210.15685	6.3
212.91809	0.7
215.08374	1.0
218.07127	1.1
221.09738	0.8
261.08911	1.0
281.11737	2.2
309.11160	2.1
321.11203	1.3
341.13870	1.7
371.16687	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79583	0.2
57.03412	0.2
59.04998	0.5
61.02920	0.3
66.78370	0.2
67.05502	0.5
69.03421	0.4
69.60883	0.5
69.61255	0.4
71.04980	0.5
73.02935	0.3
73.06575	1.4
76.73367	0.2
79.05486	0.2
79.42139	0.2
81.03430	0.2
81.07040	0.3
83.04976	0.3
83.08598	0.2
85.02901	0.9
85.06532	0.2
87.04469	4.5
89.06030	100.0
90.06345	1.7
91.07594	0.5
95.04964	11.2
95.08636	0.3
96.95766	0.5
97.02881	0.4
98.23380	0.4
99.04452	2.5
101.06008	0.2
103.22012	0.2
107.05003	0.3
107.07072	2.1
107.08617	0.4
109.10127	0.4
111.04442	0.3
114.89532	0.2
116.25155	0.2
117.09141	0.3
130.08659	0.8
131.07013	1.3
133.08601	51.4
134.08954	1.3
135.10162	0.2
137.05989	0.5
145.22754	0.2
147.06523	0.3
149.09613	0.3
151.09593	0.4
153.09102	3.8
156.05692	0.3
167.07019	0.3
173.13257	0.7
175.09637	0.3
177.11214	12.5
178.11563	0.4
191.14253	1.2
195.12331	0.5
209.07915	0.4
209.15373	4.4
217.08646	0.6
221.13802	1.1
233.09732	0.4
239.14835	1.0
250.09529	0.2
250.49110	0.2
261.09091	0.3
265.16464	0.2
278.08963	0.2
283.17523	1.4
285.07462	0.3
286.03793	0.6
309.11237	0.2
327.20013	1.4
353.14005	0.5
371.16782	34.5
371.22485	2.7
372.17102	2.9
372.22144	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	371.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.01868	7.2
55.05261	2.5
55.05515	43.9
56.05053	1.4
57.03447	9.7
57.07080	9.2
59.05004	3.3
67.05508	97.7
68.05826	2.2
69.03424	3.8
69.06710	2.9
69.07072	52.2
69.38412	4.7
71.04986	7.2
71.08268	2.3
71.08635	34.9
71.09029	2.1
74.06104	1.6
79.05502	41.6
81.07062	100.0
82.07381	3.3
83.04980	6.2
83.08622	25.5
85.06555	8.5
85.10198	2.6
87.04458	2.8
88.07640	5.2
89.06052	1.5
91.05481	16.8
93.07050	45.3
94.07363	1.6
95.04966	3.4
95.08612	79.3
96.08925	1.4
97.06528	13.9
97.10176	27.0
97.10799	1.1
99.08095	30.3
101.06003	1.7
105.07037	16.2
107.08596	39.0
109.06547	3.4
109.10162	53.5
110.10514	2.4
111.08100	6.4
111.11713	5.7
113.09616	2.7
117.07035	7.9
119.08596	9.8
121.10157	19.9
123.08040	3.3
123.11704	15.5
125.09635	15.0
127.11225	3.0
131.08588	7.7
133.10103	6.8
135.08054	4.1
135.11697	32.0
137.09671	3.3
137.13257	13.1
145.10114	8.3
147.11694	23.9
149.09708	2.9
149.13263	10.4
150.55553	1.5
151.11195	2.0
151.14833	3.9
153.09103	2.6
153.12721	11.8
155.10721	2.3
158.02026	1.3
159.11688	4.8
161.13321	7.0
163.11150	5.0
163.14793	13.5
165.12740	7.6
167.14241	2.7
169.12192	1.4
173.11731	12.5
173.13263	10.8
175.14906	3.3
177.12798	2.3
177.16451	3.7
179.14273	2.6
181.12257	2.0
181.15880	6.2
187.14836	5.0
189.11235	11.0
193.15965	2.1
195.13803	1.9
201.16327	1.7
209.15393	2.9
219.21167	1.8
227.12804	9.5
233.22594	3.9
243.21100	15.6
245.13821	5.1
251.23676	2.1
255.19533	3.6
261.22174	34.4
262.22626	1.4
279.23193	85.4
280.23544	6.0
297.24301	2.6
324.32388	2.7
339.18884	1.8
353.26886	94.4
354.27185	8.4
371.15991	8.9
371.21722	12.1
371.27994	12.2
372.34769	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	371.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26301	1.5
52.98242	1.4
53.03933	3.2
53.63151	1.7
55.01878	11.0
55.05514	51.1
55.05785	3.0
57.03445	8.3
57.07077	7.0
59.04996	2.0
65.03937	3.2
67.05505	100.0
69.03437	4.5
69.07071	59.8
69.76159	6.3
71.04996	6.8
71.08633	23.2
79.05493	38.8
81.07055	97.8
82.07384	2.9
83.04572	1.6
83.04969	8.8
83.08621	32.4
83.09094	2.2
85.06567	5.5
85.10175	1.8
87.04471	3.5
88.07650	2.1
91.05467	13.7
93.07045	43.2
93.07597	2.6
95.04977	3.6
95.08607	67.1
96.08979	3.1
97.06549	10.1
97.10168	34.3
97.10756	3.1
98.22729	2.6
98.23285	3.1
99.08101	21.4
105.07020	11.9
107.08590	36.8
108.08934	1.9
109.06539	3.9
109.10158	46.9
110.10500	3.7
111.08074	8.5
111.11765	5.0
117.07016	7.7
119.08585	7.5
121.06534	2.1
121.10159	18.0
123.11722	15.7
125.09638	26.3
126.29597	1.6
131.08601	7.4
133.10132	7.4
135.08112	4.5
135.11693	24.0
137.09569	2.4
137.13248	9.9
137.90163	2.0
139.11212	2.2
145.10159	6.1
147.11681	13.8
149.09622	2.1
149.13248	9.0
151.14816	6.2
153.09140	4.0
153.12766	12.0
159.11771	5.8
161.13255	5.4
163.11234	4.0
163.14825	11.4
165.12796	7.5
171.10167	2.9
173.11778	12.4
173.13306	7.0
175.14868	3.7
177.12787	2.9
177.16441	3.0
179.14290	3.7
181.12263	2.6
181.15895	3.8
187.14854	3.8
189.11215	24.2
195.13866	2.5
201.16528	1.8
209.15448	3.3
223.16969	3.3
227.12801	17.7
233.22688	4.8
243.21048	11.4
245.13872	10.1
251.23741	1.8
255.19621	4.9
261.22180	31.9
262.22476	3.2
279.23184	75.9
280.23563	5.5
335.25476	2.7
349.16818	3.2
353.26862	93.8
354.27194	8.7
371.13687	3.5
371.21457	3.8
371.27997	13.9
372.34860	2.6
388.86331	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
53.86734	2.0
54.36581	2.1
55.01872	4.9
55.05509	23.7
57.03443	10.3
57.07079	6.4
63.22042	2.4
67.05504	58.5
69.03446	3.6
69.07070	30.0
69.51221	9.0
71.04984	4.0
71.08631	100.0
72.08928	2.1
73.06552	2.3
79.05485	29.6
81.07057	88.3
83.04985	6.6
83.08620	19.3
85.06546	3.8
86.18936	2.5
87.04487	2.0
91.05472	28.4
93.07046	34.7
95.04971	5.3
95.08611	67.3
97.06548	8.0
97.10165	10.5
99.08093	80.6
100.08428	2.1
101.75383	2.2
103.86430	2.0
105.07027	29.0
107.08596	26.4
109.06524	3.1
109.10156	24.6
113.09644	4.4
114.14104	2.0
117.07031	5.7
117.09155	2.3
119.08595	18.0
121.10141	16.0
123.11713	5.8
125.09646	5.6
127.11222	3.6
131.08572	11.9
133.10104	7.2
133.43752	2.1
135.11691	13.6
137.13271	7.9
145.10153	9.6
147.11684	54.3
149.09616	4.8
149.13287	8.5
151.14822	3.0
153.12704	11.4
159.11719	3.1
161.13312	9.4
163.11183	8.5
163.14787	19.0
165.12767	21.6
167.14333	5.6
173.11729	9.1
173.13289	8.9
179.14325	4.8
181.15945	10.9
187.14804	4.1
189.33795	2.1
201.63490	2.2
219.21140	2.2
229.14352	5.2
233.22702	2.9
243.21069	18.6
251.23714	2.6
255.19492	6.5
261.22098	33.9
262.22360	3.4
279.23199	94.9
280.23459	4.6
353.26855	80.9
354.27249	8.6
371.17889	6.7
371.28107	11.6
372.34863	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	371.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.9
55.01868	2.7
55.05519	36.0
56.96557	3.6
57.03444	23.4
57.07081	14.2
61.53143	3.4
65.03940	2.6
67.05508	83.1
68.05827	2.6
69.07074	27.6
70.62540	4.2
71.05007	7.2
71.08636	25.7
79.05499	37.2
81.03416	5.6
81.07059	100.0
83.04994	7.3
83.08628	27.3
85.06561	7.3
85.10191	19.3
91.05488	30.4
93.07046	38.5
94.07409	3.6
95.04967	7.0
95.08612	80.1
97.06541	8.2
97.10186	9.0
99.08107	29.9
105.07051	17.1
107.08608	22.6
109.06532	5.9
109.10143	25.6
111.08096	3.6
111.11824	2.6
113.09646	31.7
117.07018	4.8
119.08581	15.7
121.10143	19.4
123.08055	3.0
123.11722	11.8
129.05495	2.9
131.08595	9.8
133.10130	13.6
135.08110	3.6
135.11673	16.6
137.09627	3.1
137.13245	9.8
139.68169	2.7
145.10114	6.4
145.16403	2.3
147.06552	2.8
147.11684	15.0
149.09685	4.4
149.13293	13.1
151.11212	3.2
153.09172	2.7
153.12732	3.9
159.11729	3.3
161.13307	11.5
163.11168	5.1
163.14844	8.4
165.12758	4.4
167.14369	4.6
173.11771	3.9
173.13266	4.5
176.12820	7.4
178.98933	2.6
179.14348	4.7
183.12453	2.4
195.13815	4.9
201.88448	2.6
209.15434	3.2
223.17117	4.0
233.22592	3.3
243.09755	7.6
243.21155	8.5
253.18033	3.2
261.22104	16.6
279.23206	45.1
280.23627	3.3
282.17593	4.6
330.23071	2.8
353.16953	3.2
353.26791	20.8
371.18149	11.0
371.27859	28.7
372.24304	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	372.093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05550	1.4
57.61948	1.2
65.03936	9.6
69.03432	4.4
69.51115	3.1
69.51508	2.8
69.89172	1.2
71.54683	1.3
77.14142	1.3
85.02894	3.6
86.09705	1.9
89.06052	1.9
93.03410	14.6
95.01338	11.3
97.02895	15.5
110.03674	3.0
111.04455	26.7
113.02366	12.1
123.00803	13.8
125.02332	1.6
125.06009	23.3
129.05507	2.3
141.01814	10.5
143.03394	6.5
147.06538	1.4
151.03922	10.9
154.51463	1.5
160.70383	1.2
168.17146	1.4
169.01349	9.9
169.04970	100.0
169.14024	1.2
170.05289	2.4
177.05501	2.1
183.14497	1.4
187.02353	3.2
251.00385	1.4
329.93262	1.7
372.17035	10.1
372.21387	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
68.37123	0.6
69.68020	2.0
73.02915	3.7
74.02430	1.6
79.74526	0.6
84.08134	1.5
86.09691	2.9
89.06016	2.7
98.22773	1.2
101.06095	0.7
103.03050	0.6
107.04955	0.7
111.04337	0.7
119.08556	1.6
130.08629	1.0
133.08572	1.8
133.10143	1.2
137.06004	1.5
138.06305	1.4
138.09090	0.8
147.08051	1.6
148.09697	1.0
149.52071	0.6
150.08917	5.3
153.63768	0.6
160.03963	0.7
161.09648	3.5
167.07040	0.9
189.09154	1.5
210.11009	100.0
211.11403	3.6
218.08969	0.7
327.20273	0.9
354.14282	0.9
354.19061	1.8
355.17181	0.8
372.16342	62.7
373.18246	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	372.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96487	6.0
56.96796	1.0
69.06998	0.6
69.57066	0.9
70.06526	0.7
79.05441	0.5
80.94793	0.8
81.06992	0.9
87.04421	0.7
93.06964	1.1
95.08571	0.7
97.96728	0.7
98.22764	1.0
98.97495	1.4
105.06962	0.6
107.57878	0.5
110.97472	2.1
116.98550	1.1
128.98621	3.0
139.00557	0.6
140.56602	0.4
146.99596	1.2
153.02107	0.9
155.73793	0.5
157.01671	0.7
161.01079	0.6
171.03278	2.4
175.02708	0.6
181.05254	0.7
185.04846	4.3
189.04176	0.8
199.06389	5.4
203.05875	3.5
205.07423	0.9
211.06334	0.6
213.07892	0.6
217.07414	4.4
219.03261	1.2
219.06799	0.6
221.12915	0.5
222.07988	0.5
223.02702	1.3
223.08441	0.7
226.05157	1.2
237.04301	3.5
237.07909	0.7
238.04956	0.7
239.09473	1.1
249.07999	0.7
252.06624	0.8
253.11221	1.1
255.05331	0.8
262.08704	1.5
267.08997	1.1
268.26306	1.0
279.08966	1.2
280.09732	3.1
281.10501	0.6
285.10068	1.1
289.14545	0.7
297.10226	0.5
305.14029	0.8
307.15787	2.0
310.30847	0.6
325.16855	0.6
331.15768	26.4
332.16156	1.9
337.17529	0.9
343.08099	0.5
349.16852	100.0
350.17239	6.0
367.17856	3.6
372.18439	18.1
372.23044	0.6
372.29477	0.5
372.34747	1.5
373.13657	0.9
373.18689	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41420	2.1
54.77325	2.1
56.96577	3.4
57.03426	9.6
60.95844	2.5
62.31096	2.1
68.84425	2.2
69.03409	2.9
71.04997	72.9
71.45068	2.4
73.02933	3.1
74.00680	2.1
75.04472	6.9
75.05308	2.0
76.70189	2.2
83.04974	7.2
84.08169	2.1
85.02909	100.0
97.02900	17.4
98.97593	3.0
100.73598	2.2
103.02161	2.7
103.03899	2.7
111.04443	5.0
114.51788	2.1
120.08144	2.5
121.06509	4.2
127.03928	5.0
129.05490	46.5
136.06189	12.8
145.04976	8.5
147.06522	22.4
151.03940	4.3
152.07088	3.0
163.06017	5.4
164.07082	2.7
164.09229	6.1
226.03596	3.0
227.53833	2.3
236.13737	2.4
244.04752	3.2
250.09441	12.1
255.08641	2.7
373.08267	4.3
373.14948	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	373.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
66.17461	3.0
69.03420	10.9
69.16680	17.7
71.04980	5.5
81.03405	7.6
81.07047	7.8
85.02898	4.1
86.92953	2.8
87.97649	3.2
91.05433	3.7
95.08610	3.0
98.23444	5.4
99.04469	3.8
102.06788	3.0
103.05442	3.2
105.07011	7.6
107.04973	3.4
107.08577	3.7
109.02882	7.8
110.65764	3.0
119.08601	4.2
121.10119	4.7
124.75732	3.1
127.03925	9.9
130.06554	4.2
131.04962	4.3
133.10136	9.0
135.08029	4.3
137.05937	4.7
147.04472	3.0
161.09563	4.1
163.07542	5.9
167.07037	14.6
173.06009	3.2
175.14804	3.7
179.10703	6.0
193.15562	3.4
201.05420	9.1
202.69441	3.3
211.13271	4.0
213.03932	4.2
219.06560	3.7
288.13779	3.2
313.11447	4.0
317.00833	3.2
325.10785	2.9
350.61853	3.6
373.17938	100.0
374.18488	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1755
Annotation	GS-2
Peak:m/z	Relative Intensity
64.83093	1.0
67.05504	2.4
69.75492	2.1
69.75830	2.6
81.07053	1.2
87.04463	3.4
95.08619	1.6
95.94868	1.1
98.22697	1.7
99.30075	1.1
229.50693	1.2
280.05811	2.2
294.03937	2.6
315.16522	1.6
333.17456	3.4
343.08148	4.0
351.18417	2.1
373.13016	4.5
373.17471	100.0
374.17755	8.6
387.11536	1.2
391.17334	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1773
Annotation	GS-2
Peak:m/z	Relative Intensity
55.23310	1.2
56.96557	1.5
66.63031	1.6
67.05496	2.7
80.27351	1.4
81.07047	3.9
93.07054	1.9
95.08607	1.6
97.06511	1.4
107.08551	1.3
119.08552	2.1
121.10101	1.6
194.92447	1.3
343.08136	7.0
351.18311	5.8
358.10379	1.4
373.12784	9.3
373.17551	100.0
374.18051	9.8
391.17545	4.6
392.17233	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1836
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
59.14378	0.5
70.06562	0.6
84.08181	0.5
86.09708	1.3
86.68253	0.5
91.05479	0.6
96.95777	0.6
98.97601	0.7
105.07032	1.0
114.09206	0.6
117.03373	0.5
119.04939	0.8
124.07612	0.9
137.05983	2.4
145.02838	0.8
147.04427	0.8
159.00436	0.7
173.06047	0.7
177.05518	2.6
193.08438	0.7
194.17741	0.5
195.06284	0.6
196.91359	0.5
201.05446	1.2
203.05293	0.7
211.03690	0.6
219.06619	0.6
293.08331	0.6
301.12537	1.8
313.08792	0.6
325.10611	1.0
373.18307	100.0
374.18643	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	373.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35224	0.5
70.33238	1.4
79.37968	0.5
84.08158	0.5
85.20099	0.5
87.76169	0.6
92.54955	0.5
127.63219	0.4
129.12022	0.6
159.27713	0.6
161.64253	0.6
236.16980	0.5
254.82126	0.7
325.96130	0.6
373.19846	100.0
374.20035	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	373.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26857	0.7
69.69652	2.3
70.54385	0.8
72.92297	0.7
81.07043	0.9
95.44757	0.8
98.23489	0.9
105.07047	1.0
112.46927	0.7
116.14919	0.7
118.99218	0.7
119.08643	0.8
133.10103	1.0
161.09607	1.3
329.21729	0.9
343.18790	1.2
373.19858	100.0
374.20062	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	373.2221
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05512	9.8
67.05502	15.9
69.03429	9.6
69.07069	16.0
71.04688	3.2
71.05018	3.0
81.07061	19.2
83.04994	8.5
83.08625	7.3
85.02907	6.3
85.52296	3.3
93.07059	8.1
93.85867	2.8
93.88533	2.8
95.04948	3.9
95.08605	31.4
99.08078	6.8
102.04512	2.8
103.01440	2.9
105.07054	6.8
105.74255	2.6
107.08591	24.8
108.11607	2.8
109.06512	8.9
109.10157	100.0
109.10894	5.8
110.10522	3.6
111.08094	5.4
119.08578	31.5
121.10167	13.6
123.08070	12.6
123.11724	8.3
133.10141	23.2
134.48827	3.2
135.11696	82.4
136.12103	3.4
137.09583	18.5
149.13240	6.1
151.11232	14.2
151.14847	11.4
165.95992	3.3
169.50229	3.2
175.14828	45.2
176.15196	4.8
193.15865	48.2
194.16310	2.8
211.16951	86.3
368.82474	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	373.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06821	0.8
57.07074	7.8
58.06590	0.7
65.03950	0.8
65.29290	0.5
67.05504	1.0
69.07075	4.1
70.06589	6.4
71.08627	1.1
75.02407	0.5
81.07075	0.7
84.08144	1.0
86.09703	59.5
87.10027	1.3
88.07629	7.7
91.05476	21.1
91.85845	0.6
95.08643	0.7
102.04668	1.9
102.09174	5.4
103.12347	3.2
105.06990	0.6
109.10072	0.8
112.07594	0.7
115.05457	16.1
116.06240	2.3
117.07014	26.9
118.07359	1.0
127.11193	2.4
129.10269	3.0
130.05540	0.6
136.12076	0.6
145.06479	100.0
146.06831	3.2
162.09209	1.1
186.44485	0.5
212.20114	6.4
224.20619	0.5
229.22736	6.6
230.15399	17.4
247.18047	51.2
248.18442	2.8
255.20670	3.3
312.32574	16.6
335.55151	0.7
343.08072	1.6
355.27371	0.7
356.35144	0.9
373.12897	3.2
373.24536	0.8
373.28458	33.0
374.28708	2.3
374.36276	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01873	3.5
57.03431	1.9
57.06282	0.8
61.02918	3.7
65.03941	2.3
65.04270	0.9
68.99805	1.3
69.03426	14.3
71.05002	1.1
73.02921	3.2
74.19417	0.8
78.40633	0.7
81.03412	10.9
85.02903	44.9
86.03250	1.5
86.09675	0.9
87.00826	19.1
87.04441	1.0
91.05479	100.0
92.05814	2.2
93.99068	0.8
94.06597	0.8
97.02901	13.3
99.04456	6.7
105.01866	26.7
105.07046	1.3
108.04485	1.6
108.24294	0.8
109.02868	13.7
115.03962	0.8
117.01870	1.4
117.07017	0.9
126.05485	0.9
127.03913	31.8
128.04175	0.9
129.01846	1.4
129.07040	1.5
133.06497	0.9
135.12311	0.7
143.03424	0.9
145.04961	16.3
145.06152	1.1
145.06587	1.0
147.02898	1.3
159.02869	7.0
175.07541	1.7
189.03938	2.7
199.07536	2.1
213.03937	1.3
231.05038	8.9
231.07063	1.2
249.06070	2.5
321.09775	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.5
55.01862	0.9
57.03429	0.8
61.02913	1.9
69.03433	3.6
70.61562	0.8
73.02907	0.9
81.03420	1.0
85.02901	15.6
86.09696	1.0
89.03910	3.3
91.03922	0.8
97.02885	3.4
99.04449	0.7
107.04958	1.3
109.02892	0.9
117.03368	11.7
127.03929	1.9
134.03572	1.5
135.04375	1.5
138.06352	0.6
138.19759	0.6
145.02841	35.6
145.04807	4.4
146.03154	1.0
149.05969	6.6
162.03088	0.7
163.03874	2.6
177.05461	100.0
178.05798	4.2
180.08658	2.2
186.05429	0.7
195.06522	59.5
196.06854	2.3
227.90274	0.7
342.14493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.7
55.05245	0.5
63.61921	0.5
63.85284	0.6
69.89251	1.5
70.06580	0.8
71.32183	0.5
71.81547	0.6
84.08139	2.1
91.05515	3.0
92.04958	0.6
93.07047	5.9
95.04988	1.7
98.22749	1.2
98.97570	0.9
103.05479	3.6
105.04540	0.8
121.06506	100.0
122.06883	2.7
129.10234	0.8
136.06232	2.2
138.09145	25.2
139.09508	1.1
141.35443	0.6
154.55539	0.7
164.39891	0.5
174.97530	0.6
175.97804	0.7
198.19339	0.7
204.05710	0.6
241.95518	0.7
243.01857	0.7
259.99860	0.9
280.76007	0.6
283.49902	0.5
331.98557	0.5
333.01596	0.9
366.08255	0.6
374.14240	0.6
374.23724	0.8
375.23380	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
54.34018	0.8
57.03438	2.4
57.90492	0.9
61.02943	1.0
63.83911	0.8
65.03944	2.3
69.03427	18.6
69.07047	1.4
70.26125	2.1
71.04998	2.7
71.15440	0.8
73.02911	1.0
76.53277	0.8
81.03416	11.0
81.07122	1.0
83.01365	1.1
84.04509	2.8
85.02904	21.1
86.09702	14.1
87.00829	14.7
87.04472	1.4
87.48963	0.9
88.35329	0.8
91.05479	100.0
92.05833	3.1
93.91799	0.8
95.01681	0.8
97.02892	36.8
98.22825	0.9
99.04455	10.1
101.02406	0.9
102.05535	1.6
105.01861	10.2
107.04946	1.0
109.02878	3.4
110.03157	0.9
127.03904	36.1
129.06642	1.5
131.06908	0.9
132.10214	4.1
136.06209	2.0
137.06015	1.3
145.04953	26.9
145.06079	1.5
147.04469	1.1
162.64189	0.8
171.02879	1.4
177.05536	1.0
197.12894	3.1
215.13916	3.5
231.04985	21.1
242.10332	1.1
243.13388	1.0
249.06073	9.1
343.42285	0.8
344.94846	1.0
374.15237	3.2
374.18942	2.8
375.20026	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49885	1.1
52.69427	1.2
53.03944	2.6
55.05516	4.1
57.03421	1.6
57.07073	1.5
58.44864	1.3
61.02889	1.2
63.10062	1.2
67.05502	3.5
69.03436	4.4
69.07074	6.1
70.57235	1.2
71.05008	6.6
71.27840	1.2
71.45553	1.6
72.08158	6.5
79.05495	4.3
81.03388	1.7
81.07071	6.7
83.08652	1.7
85.02914	5.9
85.06549	2.1
86.09708	16.2
91.05475	11.0
93.07043	7.5
95.04989	3.0
95.08607	9.7
97.02893	2.2
99.04457	16.7
99.08114	1.9
105.07031	100.0
106.07374	2.0
107.04920	1.9
107.08608	7.3
109.06527	2.2
109.10163	2.9
113.09612	1.3
117.07094	1.2
118.08669	2.3
119.08591	5.5
120.08121	1.6
121.06513	4.3
121.10155	5.4
123.08078	10.6
123.11703	4.2
127.03938	2.0
131.08522	2.2
133.06493	5.6
133.10129	63.2
134.10503	2.3
135.11711	2.1
137.13290	2.7
145.10104	4.7
146.07230	2.8
151.07570	4.2
151.11198	4.0
161.09627	43.1
162.09970	1.7
163.11189	42.1
164.11581	1.8
177.16399	7.3
179.10675	81.2
180.11058	3.7
189.09053	6.2
195.17513	3.3
207.10202	2.4
213.18539	5.3
225.12401	1.4
298.92572	1.3
302.57709	1.1
374.11859	3.0
374.19116	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
57.03439	1.0
60.96651	0.6
61.02925	1.8
69.03430	8.3
69.74037	0.6
70.22639	1.1
71.04994	0.9
73.02908	1.3
81.03419	2.0
84.08121	0.8
85.02900	17.4
86.09714	1.4
87.04448	0.8
89.03912	3.3
91.03957	1.1
91.05473	1.4
94.06544	0.9
95.80952	0.6
97.02913	4.9
98.22702	1.0
106.04189	0.6
106.06567	1.1
109.02849	1.3
115.03907	1.7
117.03371	14.9
120.08118	0.9
121.06573	0.7
127.03917	3.0
132.08095	1.3
134.03603	1.3
134.05994	3.9
135.04434	1.3
145.02844	45.1
145.04765	4.3
146.03160	1.7
148.07539	7.0
149.05981	8.4
153.05437	0.7
155.07027	1.0
162.03069	1.0
163.03908	4.0
166.08670	3.7
176.07068	0.7
177.05467	100.0
178.05806	4.5
180.08681	1.5
190.35561	0.6
194.06334	0.8
194.08119	18.7
195.06528	51.1
196.06866	1.8
212.09245	1.4
325.08960	1.9
342.11459	1.5
374.14502	1.0
374.18567	4.2
375.09860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27565	0.9
55.01885	1.4
57.03438	1.6
61.02917	2.0
61.50870	1.0
65.03944	1.1
69.03432	3.5
70.06632	1.1
70.16743	1.3
70.17077	2.0
79.05500	2.6
81.03426	1.8
81.07056	5.7
84.08173	1.6
85.02914	13.6
91.05508	1.8
93.03399	1.7
93.07071	1.3
96.08112	1.4
97.02925	3.5
103.05483	8.0
103.65833	1.2
105.07056	3.2
107.04969	10.2
109.02885	1.8
109.06557	1.5
111.04476	1.6
117.07051	1.3
121.06507	1.2
127.03920	1.6
131.04959	3.0
135.08031	10.7
136.11308	3.0
137.05994	5.1
138.12772	10.5
139.03894	5.5
145.04997	2.4
147.04501	1.4
147.18170	1.1
150.12776	1.4
151.13672	1.8
153.05516	1.3
154.06247	43.9
155.06650	2.4
163.07547	32.3
163.08861	1.9
164.14412	3.0
167.07034	1.8
170.32527	1.1
180.07747	7.0
195.10170	100.0
196.10486	6.1
202.12431	1.7
203.50069	1.1
217.08148	2.5
262.18124	1.5
293.06836	3.9
374.23459	39.4
375.19666	2.0
375.23831	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01883	2.0
55.05514	3.2
57.03453	1.0
57.80593	1.2
59.47649	0.9
67.05509	4.2
69.03423	17.0
69.07075	4.3
69.80755	1.1
71.46166	1.3
79.05500	8.1
80.38567	1.1
81.07056	5.8
91.05470	8.9
92.93906	1.2
93.07050	16.9
95.04971	8.2
95.08620	4.6
97.02910	1.5
103.05491	4.6
105.04522	1.3
105.07035	8.8
107.04941	5.9
107.08585	7.1
109.06506	1.9
110.25360	1.0
111.04509	1.7
115.05480	1.8
117.07036	10.9
119.08572	6.1
120.05778	1.1
120.08125	9.3
121.06522	15.4
121.10151	3.9
121.68947	1.2
129.06985	1.4
130.07791	3.7
131.04924	2.9
131.08589	4.8
133.06512	3.5
134.07307	1.5
135.04405	2.0
135.08035	1.5
135.11729	3.1
143.08557	2.4
145.06480	3.3
145.10129	32.2
147.08089	1.4
148.05234	1.2
149.05968	12.2
149.09641	6.3
155.08479	2.3
157.23369	1.0
158.07336	1.6
163.11197	20.4
166.08675	4.6
173.09583	7.3
191.10667	100.0
192.11047	4.9
209.11731	35.1
210.12070	1.6
223.71465	1.2
224.54166	1.1
307.43118	1.1
374.20139	2.5
375.17056	1.5
375.21304	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	374.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	9.1
55.05512	32.3
56.96563	16.4
57.03445	18.4
57.03682	4.5
59.04998	5.3
60.16210	2.9
65.03937	3.1
67.05504	84.9
69.03429	9.6
69.07070	41.7
70.55139	2.9
71.04993	49.5
71.47020	3.8
79.05494	56.6
81.03411	13.6
81.07056	100.0
83.04978	10.9
83.08617	15.4
85.02887	4.6
85.06545	10.4
89.72207	3.5
91.05481	43.8
93.07045	67.8
95.04971	15.7
95.08603	43.9
97.06538	26.3
97.10157	16.7
97.96795	3.3
99.08109	3.6
99.57001	3.0
102.70728	3.9
105.07020	30.1
107.04945	7.2
107.08595	43.2
109.06507	16.7
109.10155	41.6
111.08079	9.9
113.09679	6.2
115.07576	4.7
117.07038	26.4
119.08582	37.0
121.06506	4.0
121.10151	34.3
123.08058	7.9
125.09637	17.9
127.07549	4.6
129.07018	10.0
131.08572	24.0
133.10115	23.3
135.08064	10.8
135.11710	15.3
137.09616	9.5
139.11180	6.4
143.08592	6.3
145.10112	15.4
147.11674	20.5
148.87698	4.0
149.09599	9.4
149.13266	11.2
153.09116	6.9
155.10699	5.8
157.10165	7.1
159.11703	12.1
161.09566	5.2
161.13261	5.6
163.11148	5.1
165.12755	6.3
171.11572	5.5
173.11751	33.8
173.13145	5.8
175.11203	5.9
175.14821	4.5
177.12761	11.0
185.13326	7.3
187.13315	11.9
193.12294	4.5
195.13777	24.7
197.15466	4.1
199.14850	10.5
203.12805	11.9
209.15308	3.8
213.14896	6.4
217.15923	12.3
219.17380	5.4
227.16452	20.3
239.18034	4.8
249.18500	17.0
257.18979	5.8
275.20093	29.4
281.21204	18.5
289.21478	7.1
307.22690	8.6
321.24246	9.2
333.17313	36.0
334.17578	4.9
338.19040	3.3
344.08179	3.4
351.18423	85.8
352.18726	7.2
357.26370	5.3
369.19424	25.7
370.19391	3.4
374.13605	4.2
374.18085	16.4
375.17020	4.2
375.21234	10.0
375.26999	12.1
392.17639	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	374.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.5
55.05508	1.5
56.05030	0.8
56.96557	0.4
57.07076	5.5
58.06602	1.3
63.69327	0.4
67.05508	3.3
69.07071	14.0
69.27998	1.2
69.28403	1.3
69.40423	0.5
70.06596	10.2
71.08640	5.0
79.05498	1.5
81.07069	4.0
83.05024	0.6
83.08618	0.6
84.08147	37.5
85.06554	0.8
85.10202	1.0
86.09711	100.0
87.10049	1.6
88.07634	11.6
91.05483	1.7
93.07050	3.4
95.04983	4.4
95.08608	5.0
97.06528	1.2
98.22764	0.8
99.08102	1.2
102.09189	7.6
105.07045	1.7
107.08590	3.1
109.06525	6.7
109.10164	1.1
112.07608	16.2
119.08592	1.2
121.06544	0.9
121.10167	0.8
123.08086	0.8
131.08583	1.3
132.10231	0.6
133.10136	1.5
135.08014	0.8
135.11714	0.6
140.10744	1.2
140.47234	0.4
145.10091	0.5
147.11711	0.8
149.13289	1.0
150.11240	1.1
154.12276	6.4
159.11711	0.5
163.13464	0.4
165.12762	27.6
166.13094	0.9
168.13872	2.5
173.13281	1.7
175.11261	1.0
177.40590	0.4
179.14352	0.7
182.15462	1.0
183.11656	0.5
191.14337	1.7
196.16930	0.7
201.12788	1.1
220.17029	0.7
222.18556	4.2
224.16611	0.5
229.19571	0.9
252.19641	2.9
260.20026	2.7
271.20694	1.5
276.23239	12.2
277.23541	1.1
289.21643	1.7
312.32602	22.4
313.32977	1.9
333.17297	1.0
351.18497	2.4
356.29648	2.9
356.35141	1.6
374.13104	0.6
374.30615	38.3
374.36295	58.8
375.30893	4.1
375.36621	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	374.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	6.2
57.56353	0.3
58.06592	1.5
58.18797	0.3
66.93217	0.3
69.07070	0.3
69.26850	1.1
69.27255	0.7
70.06593	16.2
71.08628	2.3
72.08160	1.0
74.06064	0.3
75.78024	0.4
80.36115	0.3
85.10170	1.0
86.09689	0.5
88.07629	19.4
99.86653	0.3
102.09182	10.9
105.07042	0.4
132.10204	0.9
146.11766	0.7
150.11217	0.8
268.29919	0.6
286.31168	0.4
312.32581	33.8
313.32932	2.7
356.35132	3.1
374.36276	100.0
375.36621	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	375.1653
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
57.03445	1.7
61.02910	1.6
66.14542	0.9
69.03429	3.7
71.46635	1.1
71.79890	0.8
72.08189	1.3
72.74879	0.9
79.05503	1.4
81.03417	1.3
84.08198	1.2
85.02911	10.0
86.09710	1.9
91.05475	8.7
93.07066	4.8
95.08605	1.5
97.02888	3.0
105.07036	9.5
107.08594	14.4
109.02887	1.5
109.06489	1.3
111.08759	0.8
119.04949	0.9
119.08586	21.8
119.35630	0.8
120.76331	0.9
121.10124	5.1
123.08094	2.0
124.81323	0.9
127.03918	2.1
131.08585	7.4
133.10185	2.2
135.08058	2.1
137.05974	0.8
137.09602	0.9
147.08066	9.2
149.09627	10.0
153.51282	0.9
159.08044	2.0
162.03189	1.0
165.09122	9.4
167.10681	3.3
177.09097	7.8
178.05939	1.1
195.10167	10.7
196.34868	0.7
213.07303	3.1
213.11227	100.0
214.11551	5.1
233.42410	0.9
249.64046	0.8
270.95941	1.0
275.45605	0.9
280.91406	0.8
298.09570	1.2
306.49997	0.9
315.13196	1.3
375.11902	4.3
375.16672	9.0
384.02936	0.8
395.87622	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.9
56.31523	2.5
83.91541	2.6
86.83356	2.5
87.23729	2.8
88.07618	6.5
98.32135	2.9
114.19096	2.7
120.04179	2.9
129.01859	4.5
154.71616	2.8
301.19983	10.7
313.33115	5.2
319.21191	3.8
327.22974	3.6
360.13913	3.7
374.36298	6.0
375.16226	19.1
375.25037	100.0
375.36624	20.3
376.25333	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	375.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.9
55.05513	14.2
57.07060	3.0
62.76588	2.1
65.03940	3.5
67.05507	26.1
69.07074	13.3
69.39558	10.9
70.07056	2.1
77.03935	2.7
79.05492	35.1
81.07059	51.7
83.04958	2.3
83.08611	2.3
84.68363	2.0
91.05480	51.0
92.55481	2.2
93.07048	74.6
95.04969	41.8
95.08611	38.0
97.06548	11.5
98.22746	5.0
101.03802	2.1
103.05510	3.3
105.04494	4.6
105.07030	100.0
106.07355	4.9
107.08594	41.9
109.06526	10.6
109.10148	23.7
115.05415	3.6
116.06217	3.2
117.06984	17.8
119.08581	71.9
120.08879	2.4
121.06524	14.8
121.10139	59.5
123.08092	6.1
123.11722	5.4
128.06244	7.5
129.06999	14.9
130.07799	9.2
131.08566	38.8
133.10117	30.4
135.08084	2.7
135.11700	10.7
141.06970	4.3
142.07793	18.6
143.08565	28.2
144.09283	8.7
145.10126	55.6
147.11696	17.7
149.13144	2.4
153.06987	2.9
154.07741	4.0
155.08571	10.5
156.09334	9.8
157.10143	37.0
158.10753	3.1
159.08078	5.0
159.11687	34.6
161.09610	9.2
161.13217	3.2
165.07018	5.2
167.08543	3.1
168.09355	2.3
169.10124	20.9
170.10851	6.7
171.11670	14.0
173.09570	2.6
173.13278	21.7
175.11261	4.7
175.14842	9.1
179.08536	3.8
181.10109	8.3
183.11687	12.0
185.13266	6.8
187.11151	6.0
187.14798	12.3
189.12758	3.3
193.10159	6.7
194.10916	3.3
195.11723	8.9
197.13248	7.4
199.14833	7.9
201.16393	4.3
206.10837	2.9
207.11723	4.1
209.13239	10.3
211.14812	8.3
220.12396	2.7
221.13144	4.2
223.14804	6.7
225.16380	4.1
235.14830	3.7
237.16467	2.4
239.17946	3.1
251.17978	2.5
253.19328	2.8
279.20853	2.2
357.25589	2.6
375.26855	18.3
375.36389	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	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28307	2.9
59.47738	3.0
69.03399	3.4
71.45611	3.7
75.80227	2.7
85.02905	27.5
86.09694	9.3
87.04449	3.5
97.02885	6.7
104.39583	3.2
137.05986	100.0
145.04924	5.9
154.59225	3.5
154.75128	3.6
179.07042	37.0
180.07317	3.5
197.08093	6.7
205.77444	3.6
228.83870	2.6
232.74571	2.9
262.17795	3.4
358.55060	3.3
376.21118	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	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03437	1.3
61.02937	3.2
69.03424	4.6
69.62151	1.7
69.62488	0.5
70.06611	0.8
71.04999	0.8
73.02909	1.4
81.03436	2.4
85.02907	23.9
86.03211	0.7
91.03952	1.5
97.02892	6.9
99.04476	1.0
102.22507	0.4
109.02897	1.5
122.03633	0.8
127.03913	3.6
137.05981	100.0
138.06296	4.0
145.04962	6.4
147.04399	0.9
151.07573	1.7
154.95522	0.5
163.06139	0.6
177.05531	0.9
179.07036	38.6
180.07353	1.2
180.08687	1.9
197.08128	6.3
214.04736	0.8
214.10745	0.8
377.17938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72446	0.4
70.68182	0.8
77.03922	0.5
88.17175	0.3
91.05479	3.3
93.07051	6.2
94.88443	0.4
95.04980	1.6
97.51353	0.4
103.05460	3.2
105.04529	0.6
106.80513	0.4
113.19836	0.4
121.06509	100.0
122.06839	3.2
138.09148	25.7
139.09474	1.2
236.49472	0.4
318.00085	0.4
394.27707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71905	2.6
55.01868	5.2
57.63594	2.5
61.12029	2.2
65.03941	3.5
69.31560	12.5
70.06600	3.5
72.08171	2.5
79.05492	6.2
81.03414	3.0
81.07053	3.5
81.23035	2.2
91.05479	62.4
93.07026	3.0
94.04206	3.3
95.04958	3.6
103.05447	8.9
105.03383	14.6
105.07029	10.5
107.04944	8.7
109.06515	14.9
117.06963	2.9
118.08643	4.6
119.04941	100.0
120.08108	5.1
121.06504	7.2
123.08064	5.8
131.04907	6.3
131.05898	2.7
133.06496	14.1
135.04337	2.9
135.08052	2.3
136.06151	3.1
137.04930	5.0
137.05975	90.8
138.06303	3.4
143.76157	2.5
145.06532	3.2
147.04407	48.9
149.05978	8.2
150.99249	2.4
151.07539	46.1
159.08069	3.1
161.05969	27.0
162.06747	20.0
165.05469	4.6
175.07555	15.6
179.07031	55.2
180.07318	3.4
187.07553	8.7
193.08607	6.5
205.08618	15.9
235.09503	3.1
279.10104	4.6
297.94070	2.5
309.11215	22.8
310.11774	2.9
311.12747	5.8
323.12552	3.9
341.13733	5.2
376.19836	9.9
392.10416	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	376.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.0
55.05507	2.7
55.84231	0.5
57.07051	1.7
59.55387	0.5
61.86711	0.4
67.05220	0.4
67.05507	5.7
67.47155	0.5
69.03432	1.2
69.07062	2.8
69.80383	1.6
71.04991	1.1
73.40916	0.5
77.03915	0.8
79.05049	0.7
79.05492	13.6
81.07059	9.9
83.04986	9.2
83.08630	0.6
85.06504	0.5
91.05480	24.5
92.05822	0.9
93.07047	21.7
95.04963	5.5
95.08613	4.6
97.06519	2.9
105.07032	7.3
107.04932	3.2
107.08591	11.4
107.77179	0.6
109.06516	3.9
109.10127	1.0
111.08109	0.6
113.09612	0.7
117.07010	4.6
118.06572	0.6
118.07802	0.5
119.04949	17.3
119.08561	3.1
121.06516	2.8
121.10143	2.6
121.37350	0.5
123.04433	21.8
123.08049	2.3
123.11667	0.6
129.66341	0.6
131.08566	5.0
131.38902	0.6
133.10130	15.4
133.11145	0.8
135.08028	2.5
135.11687	13.6
136.07574	100.0
137.07912	2.8
139.24495	0.5
147.04407	10.9
149.13264	9.2
151.11195	4.2
151.14812	1.0
152.03157	3.2
153.03651	0.6
153.12700	2.3
159.11658	4.7
162.05469	1.3
165.05476	46.7
165.23938	0.5
166.05812	1.5
170.04265	5.7
177.12743	12.4
177.67332	0.5
178.08586	3.4
182.08130	88.9
183.08510	3.4
195.13817	2.1
206.08058	1.3
206.15436	2.6
224.09076	0.8
229.08382	0.9
235.86197	0.6
247.09351	0.6
288.12259	1.2
297.77151	0.6
312.19601	4.1
330.20581	4.2
358.13007	0.7
358.20096	11.6
359.20682	0.8
369.84833	0.5
376.13715	22.5
376.21136	14.6
376.25580	1.6
377.14127	1.6
377.22397	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84662	1.1
51.48969	1.2
51.65276	1.2
51.92686	1.0
55.05509	2.7
56.96568	19.5
57.07068	3.7
60.40191	1.2
67.05504	3.0
69.07066	6.4
70.06594	3.6
70.10284	2.8
71.06931	1.3
71.08633	18.8
71.95248	1.6
72.06492	1.1
79.05507	2.6
79.76027	1.3
81.07072	6.3
85.06562	2.1
86.09705	5.2
88.07636	2.2
88.10741	2.7
88.11269	42.8
91.05457	2.6
93.07040	5.1
95.04976	6.4
95.08604	5.2
97.96799	3.8
98.23380	1.6
98.97545	1.2
102.61748	1.6
105.07018	2.5
107.08594	3.6
109.06512	10.0
109.10147	2.7
110.97558	6.6
115.97858	1.3
117.07047	1.6
119.08590	2.5
121.10172	2.4
128.98642	8.2
131.08554	1.9
133.10057	2.7
135.08025	1.5
143.00208	1.6
145.10130	1.8
146.99655	5.4
149.13312	1.2
151.14807	1.7
156.13878	2.3
161.01250	1.4
165.12753	28.7
165.14043	2.3
170.15356	1.3
171.03267	1.4
173.13240	3.3
175.11316	1.4
182.49185	1.3
184.13397	2.0
185.04987	1.5
189.73199	1.4
191.14294	2.4
201.12839	1.4
203.05946	1.8
205.42174	1.4
224.20018	5.7
233.08167	1.3
253.19551	1.7
262.21603	2.6
263.09564	2.1
271.20532	2.4
277.11215	1.4
278.24780	12.7
289.21637	3.6
312.32495	1.5
313.33032	5.9
314.33270	1.6
317.17831	42.5
333.17227	3.0
335.18918	100.0
336.19333	7.7
353.19977	23.4
354.20233	1.8
358.20511	15.4
358.30939	1.8
375.36633	17.6
376.21463	2.1
376.26984	2.4
376.32138	30.4
376.36789	3.9
377.32452	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	376.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
53.46881	4.7
55.01868	11.2
55.05514	61.3
57.03443	25.3
59.05003	6.3
67.05509	100.0
69.03421	8.3
69.07074	65.1
69.73327	17.3
71.01344	6.6
71.05007	36.6
77.03937	5.9
79.05495	62.3
79.95633	4.9
81.03421	36.8
81.07062	67.0
83.04967	18.2
83.08618	36.0
85.06557	7.9
91.05496	41.9
93.07047	46.8
95.04961	23.5
95.08607	67.9
97.02908	8.2
97.06544	39.0
97.10168	49.8
99.08073	9.8
105.07022	23.7
107.04956	10.7
107.08570	38.4
109.06520	52.7
109.10171	38.2
111.04389	10.1
111.08044	15.8
115.07574	47.2
117.07021	16.4
119.04932	5.4
119.08572	20.3
121.06496	20.5
121.10160	16.0
123.08069	28.8
125.09633	55.8
129.07010	8.8
131.08514	8.5
133.06485	7.1
133.10101	10.0
134.03561	4.7
135.08034	25.1
137.06003	6.5
137.09592	19.0
139.07538	12.4
145.10103	13.1
147.08028	6.3
149.09625	10.4
151.07539	7.0
151.11208	20.7
153.09096	19.9
155.10670	9.4
165.09132	6.1
167.10593	5.9
169.22957	4.8
173.11736	41.7
185.11659	5.1
189.11220	32.3
197.11714	5.9
209.11710	21.7
213.11157	38.0
221.11974	5.8
227.12920	7.0
233.15457	8.6
235.13341	10.1
235.16954	6.2
259.16907	11.9
263.12775	11.1
273.18503	10.9
287.16415	23.2
291.19550	15.0
305.17606	26.6
323.18384	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	376.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.8
55.05508	18.4
67.05522	18.4
67.05809	3.8
69.07053	5.8
70.62006	3.8
79.05486	18.6
81.03413	5.3
81.07047	10.4
83.04981	4.5
83.08623	12.1
91.05474	9.2
93.07039	13.4
95.04988	8.5
95.08595	12.0
97.10167	17.6
105.07028	7.6
107.04947	48.7
107.08591	10.0
109.06520	27.7
121.06567	3.7
123.08064	7.2
125.09621	15.8
135.08061	100.0
136.08389	5.0
137.05954	15.5
137.09639	5.8
139.07538	15.4
153.09074	7.7
161.05916	5.1
181.11760	3.4
182.70595	3.7
185.67448	3.6
189.11194	7.5
217.08369	4.7
238.80742	3.9
259.16959	10.2
287.16406	25.6
294.07166	7.6
305.17410	44.0
323.18555	31.1
376.07816	4.7
376.13138	9.7
376.21194	5.7
376.25461	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	376.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.6
67.05507	14.3
69.51650	4.0
72.33549	4.0
75.15462	5.1
79.05501	16.1
81.07047	13.3
83.04980	7.3
83.08620	12.1
84.42340	4.3
85.96521	4.6
87.11871	4.6
91.05470	9.3
93.07050	20.9
95.04966	6.0
95.08599	23.9
97.10165	21.0
105.07029	5.9
107.08598	11.4
109.06554	7.5
111.07404	4.4
111.08054	24.9
112.78062	3.9
117.06947	5.7
119.08636	5.2
121.06539	5.2
121.10081	5.5
123.08076	12.3
125.09627	17.7
131.08507	4.7
133.10153	4.9
135.08060	12.2
139.07520	6.8
151.07574	6.9
169.08592	14.5
177.09416	4.4
189.11226	16.7
218.08423	13.8
227.12769	100.0
227.15019	5.7
228.13177	5.6
267.08429	4.7
287.16455	15.4
293.06360	5.1
294.07053	12.0
305.17523	29.0
323.18454	29.2
347.31152	5.4
359.14606	7.8
376.24915	27.4
377.15579	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	376.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31978	2.2
55.01867	3.0
55.05510	23.9
57.03455	2.0
59.05009	2.1
59.49339	1.9
67.05504	10.8
69.07082	10.3
71.04994	3.9
76.48206	1.7
79.05503	15.2
81.03406	2.2
81.07062	16.2
82.17919	2.0
83.05005	2.9
83.08622	13.6
86.88789	1.8
91.05473	8.1
93.07063	12.4
95.04969	6.1
95.08616	10.5
97.06542	4.1
97.10179	22.6
105.07002	4.6
107.08597	13.6
109.06516	9.3
109.10176	5.9
111.04446	2.7
111.08086	18.4
119.08638	3.9
121.06535	3.5
121.10171	3.8
123.04456	2.9
123.08060	10.4
125.09635	24.2
131.08614	3.4
133.06502	2.9
135.08064	19.9
135.11636	2.0
136.98785	2.0
137.09622	4.6
139.07552	6.9
149.09618	2.0
151.07584	7.4
151.11165	3.4
153.09137	7.7
161.05968	4.5
169.08614	4.8
171.10165	3.3
173.11812	1.9
177.09096	2.3
179.07068	4.8
185.11794	3.7
187.09532	1.9
189.11253	21.5
227.12784	100.0
228.13135	4.3
231.17752	2.0
241.15837	2.2
259.16971	8.4
269.15390	4.3
277.18002	3.1
287.16455	27.3
288.92099	2.9
291.15540	1.8
291.19293	1.9
305.17490	45.4
306.17676	3.5
323.18512	25.2
324.18903	3.1
341.19595	2.5
376.20657	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	376.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	24.3
55.66776	5.9
57.03444	9.1
67.05497	58.1
69.07070	24.8
70.18754	14.0
71.04993	23.2
77.36575	5.8
78.12226	6.2
79.05502	41.6
81.03434	11.5
81.07061	35.4
83.08619	18.2
85.06490	10.1
85.12807	5.7
91.05484	19.0
93.07047	41.5
95.04978	14.3
95.08624	19.7
97.06524	100.0
97.10163	17.0
98.91756	6.7
105.07007	13.7
107.04989	9.7
107.08600	15.0
109.06541	12.7
109.10181	26.5
111.08103	14.6
113.06003	9.1
117.07046	7.9
119.08576	12.2
121.06518	13.0
121.10149	19.1
123.08125	13.2
125.09601	14.3
131.08620	12.7
135.08035	7.7
137.09613	7.8
169.12250	13.9
173.11722	10.7
189.11237	17.7
221.15344	9.7
221.36620	6.7
223.13251	47.1
227.12793	26.5
227.16293	7.9
268.05325	6.0
273.18536	10.8
291.19528	30.4
305.17496	10.8
309.20462	10.2
339.05530	5.4
351.02972	5.5
377.19324	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	376.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78374	4.3
55.01326	4.4
55.05520	23.6
57.03435	12.1
67.05510	54.3
67.85259	4.7
69.07076	8.3
71.05007	7.1
73.05366	4.5
73.91798	4.2
79.05496	37.4
81.03436	6.0
81.07066	22.7
82.73956	4.0
83.04996	6.8
83.08635	12.8
91.05486	15.5
93.07049	17.9
95.04956	13.4
95.08612	31.5
97.10172	12.1
105.07055	18.0
107.04969	4.4
107.08596	22.8
109.06518	19.4
109.10151	33.3
117.07046	7.9
119.08566	11.9
121.06532	7.3
121.10148	8.7
123.04451	5.4
123.08069	8.2
125.09626	9.3
131.56587	4.0
135.08043	8.2
135.45039	4.7
137.09621	92.9
141.09070	8.2
145.10129	7.6
149.09630	6.3
155.10649	8.0
161.09654	5.3
173.11816	17.3
189.11203	14.4
233.15361	10.6
273.18546	13.0
278.17636	5.4
287.16486	5.1
291.19476	18.4
305.17505	8.1
376.21118	9.0
376.25702	100.0
377.19543	5.5
377.25919	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	376.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	25.9
55.13459	2.7
56.96571	3.0
57.07084	6.5
59.04994	4.7
63.22694	2.9
67.05505	84.5
68.05815	2.6
69.07065	7.1
69.64879	6.4
69.65273	5.8
71.04631	5.2
71.04995	59.6
71.08624	11.2
79.05477	12.5
81.07068	38.4
83.04997	4.5
83.08628	14.7
91.05469	5.6
93.07051	13.0
95.04953	3.0
95.08614	15.3
97.06573	2.6
97.10175	24.5
99.08084	9.8
105.07033	3.7
107.08591	16.5
109.10160	78.4
110.10526	4.1
111.08144	4.7
117.06995	3.4
119.08582	10.9
121.10121	3.2
121.75333	2.5
123.11641	6.6
125.09639	23.5
131.08633	2.6
133.10144	3.7
135.08073	5.1
135.11751	4.1
137.09656	6.5
141.88844	2.4
144.08208	2.5
145.10123	3.6
151.11200	3.9
153.09099	4.3
155.10692	21.2
155.14323	22.5
161.13237	4.5
173.11739	100.0
174.12074	5.4
174.56192	2.9
177.12865	3.0
187.13301	80.3
203.12788	31.8
203.14464	4.4
241.19817	3.8
277.21622	22.7
288.92258	3.2
291.23050	3.8
309.24139	7.4
335.15253	19.0
353.16296	7.2
376.25781	6.2
376.33020	2.7
377.22873	11.2
377.27640	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	376.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49035	1.4
55.01880	3.4
55.05514	4.1
56.96570	6.8
57.07076	6.0
66.92262	1.4
67.05503	6.7
69.07069	14.1
70.62418	1.8
70.62749	1.4
71.08633	32.1
79.05500	4.2
81.07060	12.7
85.06546	2.8
86.06081	1.9
86.09708	11.5
87.43761	1.3
88.11269	100.0
91.05489	4.5
93.07049	10.0
95.04975	13.2
95.08612	12.7
97.06500	3.3
99.08108	4.0
105.07032	6.9
107.08576	7.3
109.06514	16.2
109.10170	5.4
109.71561	1.2
114.09269	1.5
119.08602	6.4
121.10155	2.4
123.08099	2.1
128.98593	2.8
129.07048	1.3
131.08575	3.2
133.10147	5.5
135.08095	2.5
137.09674	1.7
138.12799	1.7
145.10098	2.3
147.08037	1.7
147.11700	2.8
149.13248	2.5
150.68527	1.4
151.14915	1.7
156.13892	4.1
156.71330	1.3
159.11691	2.1
163.11230	2.2
165.12755	69.1
166.13132	2.6
170.15460	2.6
173.13181	6.5
175.11223	2.3
183.11826	1.6
184.13383	4.0
184.16933	2.7
191.14409	6.0
201.12804	2.6
222.18617	4.4
224.20071	7.4
254.21228	4.5
262.21753	6.1
271.20593	5.5
277.11264	1.6
278.24799	24.0
279.25101	1.9
289.21646	5.4
296.56308	1.3
308.25525	1.6
317.17856	10.0
324.57422	1.6
335.18936	40.0
336.19400	3.5
353.19919	8.6
358.20621	6.4
358.31104	4.0
376.21967	1.7
376.27200	1.7
376.32150	53.7
376.36877	7.1
377.27164	1.4
377.32175	6.5
396.38092	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.9291
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35991	3.8
68.07352	3.5
71.44533	4.0
74.82234	3.5
93.81873	3.2
94.93018	100.0
96.92870	5.0
112.89616	45.9
114.89342	48.1
119.01933	5.9
124.26730	4.7
124.91596	3.7
131.02037	5.8
136.94034	47.6
150.91991	4.5
180.95074	3.9
180.96605	4.9
181.96222	6.6
196.87889	18.9
196.95306	6.2
204.87045	68.3
206.86855	9.0
206.88600	4.8
208.97328	6.4
209.57190	3.6
212.85263	8.8
228.92717	6.4
231.03510	3.7
244.90176	16.6
244.96005	4.3
248.89569	17.1
257.01471	7.4
275.02539	5.8
278.80319	6.4
278.95145	48.3
281.65814	3.7
287.02625	3.9
302.90500	5.4
304.86200	6.1
379.79776	3.8
381.87466	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	376.9291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85159	1.9
56.96569	4.2
57.03426	2.1
62.34085	1.8
69.07086	1.8
70.06604	4.6
71.45215	1.9
72.08171	5.6
73.02925	2.3
73.08560	2.0
82.01348	1.7
84.08173	4.3
86.09706	8.2
89.42987	1.9
91.05471	9.7
93.07052	7.1
97.02904	2.1
98.97604	2.5
101.00887	9.1
103.05463	4.6
112.05086	14.5
113.00865	6.5
116.98602	2.4
119.01921	21.9
119.04907	3.4
121.06509	100.0
122.06854	9.1
123.04445	8.4
129.10242	4.8
131.01891	14.6
133.05029	2.3
134.06010	3.8
136.07556	4.1
136.94058	8.7
137.02960	3.0
137.05989	39.7
138.09146	23.0
139.09477	4.0
143.01903	7.5
145.03484	5.4
149.02974	4.0
152.07123	5.7
154.08601	11.3
155.01909	8.6
157.03529	3.2
158.99896	2.8
161.02997	7.9
163.03961	2.6
173.02994	12.3
177.01004	14.4
182.99872	2.5
185.02995	7.7
187.04468	3.3
191.06950	2.0
194.27629	1.9
197.02998	4.5
201.00972	16.6
203.02499	4.1
208.01480	4.1
210.06090	4.0
213.02458	5.3
215.02463	4.5
218.99904	4.1
219.02013	58.7
219.04082	3.9
220.02231	2.5
221.01770	4.4
221.05054	6.2
223.04297	4.3
224.08133	1.9
225.00856	3.3
227.02519	6.1
229.00375	2.7
231.01761	4.7
231.03644	7.2
232.10251	3.9
234.06067	2.1
237.00903	11.2
239.00362	3.0
242.01295	7.8
243.01956	35.7
243.04028	3.1
245.05307	11.0
247.03543	2.2
255.02023	61.3
256.02252	4.2
257.01144	12.6
257.03729	13.4
260.02274	7.2
261.03040	21.4
262.03030	2.1
263.06247	6.7
264.03070	2.2
267.02081	7.7
270.08701	2.2
273.03098	27.4
275.02432	17.2
278.95258	10.9
285.03033	25.6
287.02393	4.3
297.03104	13.5
299.04639	6.0
303.04037	9.3
305.03314	3.6
315.03796	2.8
316.13745	5.6
317.05667	7.0
334.06171	5.3
335.01489	4.7
335.06470	7.4
345.05209	26.4
352.07303	3.6
363.06000	2.7
376.13574	3.0
376.23624	2.8
377.08267	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	377.057
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99873	2.6
64.00864	1.1
69.03444	1.6
82.99876	3.3
86.09731	1.2
94.93020	2.5
94.99834	1.5
99.44877	1.2
101.00881	46.9
102.00991	1.8
112.89594	5.6
113.00863	13.7
114.00962	1.2
114.89328	8.9
115.02470	1.4
119.01919	60.2
119.83040	1.1
120.02034	4.0
124.43475	1.4
131.01907	52.3
132.02020	2.5
136.94003	1.9
137.02959	6.1
142.03505	1.4
143.01898	17.0
144.01952	1.1
145.03482	4.9
149.02972	6.7
153.03954	1.4
155.01894	18.1
156.02165	1.3
161.02959	19.0
163.04469	2.2
167.01927	4.6
168.64348	1.3
169.03400	2.6
171.01392	1.4
171.05006	3.5
173.02972	29.7
173.96158	1.1
174.03127	3.3
180.90459	2.5
185.02963	35.8
186.03265	2.5
187.04538	5.0
189.02408	1.8
191.04047	1.7
192.99969	1.9
195.01381	3.3
196.87979	1.4
196.95271	2.3
197.02988	9.2
199.04430	1.2
203.03967	9.3
207.01434	1.9
208.97287	1.5
212.95486	1.5
213.02446	40.2
214.02689	3.3
215.03998	2.1
216.80095	1.2
221.05089	7.0
222.99002	1.5
225.02463	15.0
226.02675	1.3
226.96353	1.7
228.92885	3.0
231.03508	47.6
232.03691	3.0
233.01422	1.8
239.00319	8.4
239.06151	3.0
243.03542	13.2
244.03709	2.5
244.92265	2.6
245.95132	1.2
251.00375	3.4
252.94705	2.2
257.01413	87.0
258.01636	8.0
268.92020	10.0
268.97153	1.2
268.98572	1.6
269.01419	14.3
275.02472	100.0
276.02603	8.1
278.92398	1.7
280.02951	1.3
287.02484	37.9
288.02658	2.1
294.89957	6.0
298.04059	3.8
299.02484	2.9
305.03448	11.0
310.03891	1.6
317.03522	10.3
329.03601	1.3
359.04568	8.9
365.87311	1.1
377.01013	1.1
377.05588	19.2
378.05966	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	377.1458
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
50.96540	0.5
53.03919	1.8
53.29168	0.4
55.01866	0.7
57.03436	8.1
59.04984	0.9
61.02937	3.0
69.03426	13.1
70.06562	0.6
71.01360	2.7
71.04984	2.6
73.02885	1.7
75.04488	2.8
81.03412	4.2
86.09676	0.7
87.30104	0.5
99.04453	4.8
117.05460	1.1
137.05922	1.6
145.07581	2.0
147.04390	0.9
151.94832	0.5
157.06363	0.6
159.09193	0.6
170.07066	0.9
172.08693	25.5
173.09036	0.9
175.08592	0.7
190.09734	1.3
197.11674	0.7
198.06569	5.3
200.08195	4.9
214.09668	0.7
216.07689	15.0
217.08035	1.0
218.09390	0.9
243.08768	68.7
244.06924	0.8
244.09210	3.2
275.17908	0.6
355.69482	0.6
359.13467	3.1
377.14560	100.0
378.14868	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	377.1786
Annotation	Pro Phe Asn
Peak:m/z	Relative Intensity
56.96572	0.7
69.83355	1.8
72.08147	0.6
72.47707	0.5
76.89793	0.5
84.96593	0.5
85.02930	0.8
85.61720	0.5
85.99323	0.5
98.22753	0.6
137.05997	1.8
138.06354	1.1
179.07066	0.7
180.07349	0.8
199.09583	0.9
215.03142	1.0
215.12556	8.2
261.13162	3.0
273.54956	0.5
319.13635	15.4
320.13950	1.2
377.13959	41.4
377.17880	100.0
378.14185	3.4
378.18491	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	377.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.4
53.30340	2.7
55.05507	14.1
57.07091	7.8
62.16006	3.1
67.05508	25.9
69.07085	31.3
69.28493	15.9
79.05502	18.1
81.07053	82.6
81.07502	5.8
83.08630	16.9
91.05480	15.9
93.07041	35.0
95.05013	3.6
95.08604	66.6
97.10106	3.7
98.23418	6.8
105.07021	40.4
107.08597	39.0
109.10163	57.2
111.11705	5.1
117.06995	6.5
119.08582	42.9
121.10149	33.5
123.11696	26.6
131.08548	18.0
133.10139	31.3
135.11707	28.3
137.13281	7.9
145.10170	16.7
147.11697	39.1
149.13239	39.9
151.07658	3.5
159.11681	15.2
161.13255	54.3
163.14848	21.2
165.12802	23.7
173.13268	17.6
175.13588	3.2
175.14822	19.6
177.16412	12.6
179.14319	100.0
180.14636	3.3
187.14845	12.9
189.16434	15.2
191.14323	76.5
191.18036	3.3
193.15919	7.0
201.16423	8.5
203.17905	3.8
205.15900	12.6
207.17459	23.8
215.18002	14.6
219.17355	3.2
229.19643	6.1
233.18974	6.9
247.20639	6.6
259.24112	6.4
271.24207	48.1
276.57495	3.6
289.25247	94.1
290.25836	6.4
303.63705	3.0
377.31229	3.4
377.37006	4.1
378.29886	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	377.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.2
57.07077	100.0
58.07431	0.9
65.20148	0.8
67.05492	1.0
69.07072	6.4
69.75291	1.9
70.06593	1.2
71.08631	81.6
72.08985	0.9
73.06548	1.0
83.08636	2.5
85.10183	48.9
86.10496	1.1
87.04471	1.7
89.06032	88.6
90.06369	1.1
93.07107	0.7
95.08634	0.7
97.10187	2.0
99.11716	6.6
105.00108	1.0
107.07063	7.7
111.11733	1.9
113.13274	5.2
115.08640	1.4
119.01665	1.6
123.04549	0.7
125.13274	1.1
127.14854	3.0
130.08653	2.7
133.08606	40.4
151.09659	5.4
152.84526	0.8
177.11241	10.2
195.12282	45.1
196.12735	1.5
331.22531	0.8
373.63394	0.9
377.22519	1.1
377.26831	4.2
377.32709	11.5
399.28397	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.14
Annotation	Unknow
Peak:m/z	Relative Intensity
67.78997	4.1
68.07329	4.3
69.03444	5.0
69.86664	6.0
69.87000	6.2
81.03440	4.2
82.74337	3.7
85.02918	18.4
95.04973	16.2
98.97559	4.5
116.98595	5.0
122.94698	4.3
123.04431	17.0
127.03894	4.7
140.04686	73.4
155.07014	43.1
171.43520	4.2
180.08708	8.0
181.04991	11.4
199.06018	100.0
234.98878	7.1
237.02574	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	378.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46255	0.6
55.01862	1.0
57.03438	0.8
61.02915	1.2
65.03919	0.6
65.89217	0.7
67.05490	2.4
69.03436	2.3
70.25316	1.3
72.08148	1.9
74.08485	0.7
78.20230	0.7
79.05475	4.7
81.07050	1.4
85.02896	7.1
86.09699	3.7
91.05483	8.8
93.07046	1.4
97.02908	2.7
97.06532	2.4
105.07040	4.9
107.04954	2.8
107.08591	31.9
108.08952	1.0
109.06507	2.7
109.10158	2.1
115.05434	4.7
116.07122	0.7
117.07040	7.5
119.06036	1.1
119.08525	0.9
125.09631	0.7
127.03860	1.0
135.08051	100.0
136.08379	2.9
138.89124	0.8
145.04852	0.9
153.09087	1.3
163.07542	85.7
164.07892	4.1
173.11755	1.0
180.08600	1.4
181.08601	69.1
182.08929	3.0
185.16547	2.1
199.09622	7.0
213.15929	0.9
216.12320	1.0
258.03302	0.7
261.06723	0.7
279.80698	0.7
364.05490	1.0
378.18814	2.8
378.26218	1.3
379.08163	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	378.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
61.02929	1.7
66.21115	1.0
69.03429	3.1
70.06602	2.0
77.03934	1.1
81.03414	1.5
85.02914	11.6
91.05487	9.8
91.78271	0.9
93.07043	10.0
95.04950	3.2
97.02887	3.5
103.05470	6.1
119.04926	2.9
121.06507	17.7
123.04385	1.3
125.05994	1.4
127.03972	1.8
137.05980	3.5
138.06856	1.2
145.04961	2.5
147.04439	1.3
149.05981	5.0
151.03928	1.3
151.07555	2.5
164.07086	1.2
166.06261	11.0
167.06969	1.2
179.07016	3.0
181.05026	3.8
181.08607	100.0
182.08961	4.9
184.07300	1.6
192.93393	1.1
193.08530	1.4
195.10240	1.1
199.09671	74.9
200.09962	2.8
207.06503	3.6
209.08057	2.1
211.09682	1.7
223.09653	1.0
320.14008	2.2
333.13095	1.6
344.13580	1.1
378.08969	2.3
378.14139	3.6
378.18234	12.6
379.09842	8.6
379.13934	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	378.3003
Annotation	Madangolide
Peak:m/z	Relative Intensity
55.05515	2.1
57.07071	8.4
64.11471	1.8
69.32636	5.0
69.33046	6.2
70.06591	13.2
71.08621	4.0
88.07630	20.9
95.04962	5.3
95.08593	2.9
98.22623	1.9
102.09188	14.9
105.03393	57.9
105.07025	4.9
113.23434	1.8
114.40086	1.8
119.08546	2.5
121.27438	1.9
149.05981	97.5
150.06357	4.4
204.08421	1.7
215.79242	2.1
225.09102	1.9
256.26352	59.0
257.26736	4.6
337.17590	4.8
378.30032	100.0
379.18307	4.0
379.25665	2.2
379.30161	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	379.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.9
59.68921	0.6
70.06590	1.1
70.07771	1.5
72.08108	0.6
97.99176	1.3
100.11276	0.7
103.88264	0.7
116.00240	1.0
131.62172	0.7
137.05969	0.7
145.02974	0.6
147.04427	0.7
160.29779	0.6
165.09198	0.7
174.36647	0.7
177.05493	1.8
184.14348	0.6
185.04195	1.8
202.19510	0.6
217.04683	1.4
234.96935	2.0
252.97986	2.1
268.04974	1.6
286.06100	1.4
293.34677	0.8
309.07608	1.6
337.10779	1.5
378.99213	2.5
379.09995	100.0
380.10275	8.3
385.81912	0.6
387.67899	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34506	0.7
69.03436	1.0
69.14060	3.9
70.06588	0.9
74.90645	0.7
79.05497	1.0
80.66002	0.6
81.03438	0.9
82.82172	0.6
85.02977	0.7
85.03581	0.7
91.05499	2.9
105.07058	0.7
113.89156	0.7
119.04981	3.3
121.02897	1.7
123.08118	0.8
145.02873	1.0
147.04396	12.2
147.05418	1.0
163.03856	0.8
165.01939	2.6
183.03055	0.9
187.03952	1.0
207.50746	0.6
215.03578	0.7
216.10245	1.1
217.04848	2.9
227.05426	1.3
249.95018	0.7
267.06583	0.8
271.06393	1.5
279.06604	0.8
283.06009	8.8
293.09979	4.5
295.06192	2.6
295.09659	0.8
297.07303	0.7
305.08182	1.7
307.06064	1.3
309.07813	1.3
317.10071	1.2
321.52908	0.8
323.08987	4.0
333.07700	2.4
335.10995	31.9
336.11572	1.1
351.08801	1.1
361.07120	8.0
378.26306	0.9
379.10089	100.0
380.10538	7.5
380.15073	1.2
380.20575	1.6
380.28290	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61430	0.3
58.66617	0.3
69.45599	1.5
75.15493	0.3
85.02903	0.4
94.35844	0.4
98.23404	0.4
105.06989	0.4
109.02869	0.5
117.03423	0.3
127.03926	0.7
147.04434	0.8
169.08528	1.6
177.05534	0.4
179.07060	0.7
181.04996	0.9
185.04222	2.2
199.14844	0.4
201.11269	0.9
207.06526	1.0
217.04704	3.7
271.00290	0.3
278.40433	0.3
337.11572	0.4
379.09979	100.0
380.10306	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	379.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07322	0.7
55.05492	1.1
58.29176	0.7
58.59937	0.8
67.05498	1.1
69.03421	0.8
71.45287	1.0
81.07028	1.2
95.04957	1.5
98.97592	1.2
101.51408	0.9
106.69205	0.9
113.05980	1.3
116.98502	0.8
121.06503	2.4
125.73319	0.8
135.39096	0.9
161.06049	0.8
165.70409	0.8
185.04182	3.3
201.05380	1.0
216.07603	7.6
217.08321	9.7
274.97418	1.2
287.16425	1.7
292.98523	1.3
305.17432	0.9
338.96494	1.0
379.13556	100.0
380.13980	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	379.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50584	0.6
53.03959	0.8
55.01880	1.1
65.03939	6.5
65.04211	0.5
67.05498	3.7
69.03443	2.2
70.04771	1.9
70.06643	0.8
71.05013	0.5
72.01164	0.5
72.08196	0.6
79.05518	2.8
81.07062	1.5
82.04226	2.5
85.02915	4.0
91.05481	9.6
93.03440	1.8
93.07054	1.7
95.05000	2.4
95.08636	0.7
97.02917	1.4
97.06524	3.0
98.23424	1.0
99.04416	0.9
103.05499	1.4
105.07056	1.4
107.04933	3.6
108.02135	1.0
108.05807	0.7
109.06552	1.7
110.03695	2.8
111.04453	1.4
111.55379	0.6
113.09676	1.2
116.98583	0.6
118.04140	1.2
119.04943	3.5
121.06519	5.8
123.04452	1.7
123.08089	2.1
125.06007	2.1
133.02863	1.2
133.06511	1.5
134.03726	0.6
135.04399	1.1
136.05202	1.8
137.05986	3.5
138.03152	1.9
142.02602	1.2
146.03688	2.0
147.04419	2.5
149.06010	1.0
149.11047	0.6
151.07571	6.1
152.06252	0.9
153.05478	7.2
153.06833	1.3
157.06535	0.7
161.05951	1.5
164.04698	2.7
165.05539	1.2
165.06973	1.6
165.12784	0.7
167.07043	14.3
167.08458	1.1
170.07268	1.1
171.06511	6.2
179.07034	40.8
180.05803	1.1
180.07419	2.0
181.04961	91.7
181.06367	4.6
181.08415	7.8
182.05304	3.4
182.07074	0.6
183.08098	1.5
185.09694	0.7
191.07062	0.8
192.04126	2.9
193.08624	2.5
195.08075	1.4
197.05954	1.2
197.07985	1.0
198.06729	2.2
207.06520	100.0
208.06888	3.6
209.05959	1.2
211.07774	0.9
212.08205	0.9
213.09125	4.2
223.07497	0.8
225.05440	1.5
226.06221	1.6
237.05492	0.8
239.02203	1.0
239.06973	0.7
241.08575	5.3
242.09087	1.0
243.06558	1.1
245.11772	0.7
255.10159	0.9
269.08008	5.0
271.05966	1.1
273.11234	6.3
274.97113	0.7
286.08359	1.5
301.10596	9.8
302.11053	1.2
305.13782	0.7
318.11017	1.0
329.10098	2.0
333.13306	22.3
334.13477	1.6
361.12769	5.7
362.13284	0.7
379.08069	1.2
379.14401	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40401	1.0
62.57973	1.1
65.09351	1.0
69.87126	3.8
84.62009	1.1
94.39157	1.1
98.22836	2.2
98.97565	1.7
101.94723	1.2
112.71179	1.1
115.01669	1.1
116.98618	1.7
129.99718	1.0
274.97403	3.3
287.41046	1.2
292.98309	1.5
330.77377	1.1
335.19537	5.1
338.96790	1.8
361.17029	2.2
378.32077	1.3
379.18405	100.0
380.18915	9.6
392.46948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.2
56.96579	15.5
64.92208	10.5
66.89046	10.8
67.05504	13.3
69.07069	13.0
71.46746	12.1
72.00398	11.4
79.05486	12.6
81.07048	14.9
91.05511	12.7
93.07030	12.2
105.07045	14.8
124.13429	9.3
138.00813	10.0
143.08513	10.2
149.02286	12.6
198.98827	12.4
203.09473	10.1
216.15932	10.5
274.97623	25.6
338.96820	33.3
362.27060	11.9
377.30264	12.2
378.32089	17.0
379.19031	100.0
379.25232	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	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
53.03956	0.8
55.01883	1.5
55.05511	7.5
57.03433	0.9
57.07076	9.1
59.05003	1.7
67.05508	9.5
69.07069	23.2
69.29996	3.0
70.07393	0.6
71.05003	4.8
71.08638	2.7
73.06584	1.0
79.05491	9.8
81.07059	15.1
83.04996	1.7
83.08633	3.4
85.06553	5.1
85.10197	1.7
89.06026	9.0
89.06526	0.7
89.39384	0.6
91.05475	7.9
93.07047	23.7
95.04971	2.4
95.08605	12.8
97.06538	3.7
97.10194	0.7
99.08104	0.9
101.09652	8.2
103.05622	0.4
105.04568	0.7
105.07034	7.5
106.07350	0.6
107.05003	0.6
107.07066	0.8
107.08593	25.1
109.06522	7.4
109.10155	5.2
111.08095	2.1
117.07032	0.8
119.08595	6.5
121.06511	2.3
121.10143	11.1
122.07247	0.6
123.08061	5.7
123.11700	2.4
124.08924	0.6
125.05959	1.0
125.09638	3.4
129.07019	0.8
131.08572	1.8
133.08582	3.3
133.10078	3.0
135.08058	29.8
135.11696	6.0
136.08453	1.0
137.06003	3.6
137.09601	1.5
139.07539	6.2
139.11172	0.7
145.10167	2.5
145.36826	0.5
147.11711	6.1
149.09612	4.7
149.13234	5.9
150.06778	1.2
151.07558	1.7
152.08345	4.4
153.09105	1.6
153.12752	0.8
157.10158	1.3
159.11713	1.7
161.09659	2.1
161.13298	1.5
163.11223	1.1
163.14787	0.7
165.09126	22.6
165.12743	6.1
166.09525	1.0
173.13379	0.7
175.11215	0.9
177.11363	0.8
177.12744	13.7
178.13197	1.1
179.10683	0.8
179.14334	4.3
181.12294	1.1
181.15854	6.6
183.13824	2.4
185.13272	0.6
191.14323	5.2
193.12286	1.4
195.12250	3.1
197.15402	3.7
201.14810	5.3
201.16147	0.5
205.15813	1.2
207.13779	0.7
208.14621	0.6
209.15363	9.5
215.16441	1.3
221.15422	0.8
256.19104	0.6
263.20056	2.0
291.02795	0.6
291.19629	3.1
301.25092	1.0
305.21115	2.2
305.24380	0.5
319.26349	2.5
323.22064	1.2
329.24722	2.4
347.25809	100.0
348.26147	7.8
349.27429	0.6
351.28857	1.6
361.27411	0.7
363.31006	3.1
377.14270	0.5
379.14798	1.4
379.28436	27.5
380.28625	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2843
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.05512	12.7
57.03420	2.4
57.07079	25.6
59.04981	1.7
60.63808	1.7
67.05515	12.4
69.03426	2.1
69.07075	22.1
71.05000	2.1
71.08635	3.3
76.13126	1.7
79.05482	9.5
81.07067	25.7
83.04981	4.2
83.08635	6.3
85.06548	16.9
89.06056	5.1
91.05517	9.2
91.05980	1.8
91.43516	1.7
93.07056	17.8
95.04976	2.4
95.08609	19.0
97.06553	5.3
97.10147	2.3
101.09656	1.9
105.07032	7.4
105.36433	1.8
107.08596	19.3
109.06524	10.5
109.10161	6.3
110.79639	1.9
111.04439	9.2
111.08054	3.8
117.06994	2.6
119.08604	8.7
121.10162	9.3
123.08073	8.4
123.11696	2.2
125.05981	5.1
131.08591	3.6
133.10156	6.8
135.08046	23.2
135.11688	8.4
137.05988	32.7
137.09616	2.0
139.07599	2.1
145.10109	3.1
147.11705	5.1
149.09662	6.3
149.13271	2.5
151.07578	5.0
151.11229	4.6
153.12802	3.3
157.10164	2.9
159.11620	3.2
161.09648	3.5
165.09135	8.0
165.12791	5.3
172.83191	2.1
175.11180	3.1
177.12744	10.8
179.10793	2.1
179.14343	4.0
183.13809	1.8
189.12897	2.6
191.14311	2.0
193.12178	2.3
195.12280	3.5
201.14832	2.8
203.69727	1.7
207.13876	2.9
213.86914	1.9
217.93837	1.7
236.09525	2.1
249.18648	2.5
263.20175	9.4
277.17807	2.1
319.26309	9.2
323.21762	2.3
329.24786	3.8
347.25827	100.0
348.26077	11.7
351.28955	28.8
352.29300	4.1
361.27377	22.2
362.27805	2.5
379.14603	4.8
379.28436	98.8
380.28745	7.5
383.62131	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	379.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	16.5
55.39993	6.5
57.07063	19.8
60.50253	5.0
67.05507	30.7
69.07068	35.7
71.08608	6.0
79.05484	14.4
81.07066	40.9
83.04958	12.8
83.08642	9.7
85.06533	11.9
89.06025	23.3
91.05508	14.7
93.07047	22.7
95.08603	35.0
97.06505	13.8
99.08147	8.9
102.57851	5.3
105.07043	17.4
107.07906	7.5
107.08588	33.3
109.06522	16.9
109.10122	6.9
111.04449	30.2
119.08611	9.1
121.10144	17.8
123.08049	13.5
125.05984	17.5
133.08597	13.1
133.10124	7.3
135.08046	17.8
135.11664	18.5
137.05933	10.3
137.09607	5.7
139.93175	6.4
143.08727	6.4
145.10146	12.1
149.09605	7.0
153.12708	10.2
163.11124	8.8
181.12157	9.2
195.12228	13.4
195.13873	9.0
221.19043	7.6
305.24731	99.6
306.24997	7.0
319.26242	30.6
347.25775	100.0
348.26260	9.0
351.29034	29.3
361.27356	10.4
363.30875	14.5
379.28476	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2842
Annotation	Methyl 15-acetoxy-7-labden-17-oate
Peak:m/z	Relative Intensity
55.01870	1.0
55.05514	6.5
57.07076	30.5
57.63471	0.8
59.04984	2.4
61.81408	0.8
62.74814	0.9
67.05505	5.1
69.07070	27.1
69.84679	2.3
70.31103	0.9
71.04974	1.2
71.08629	20.4
73.06541	3.5
75.49419	0.8
79.05501	7.2
81.07057	10.6
83.04996	1.1
83.08624	4.4
85.06534	2.9
85.10181	19.8
87.04474	1.3
89.06031	73.8
90.06367	1.6
91.05479	6.5
93.06448	1.1
93.07043	21.2
94.34415	0.9
95.04977	2.8
95.08611	9.1
97.06546	1.0
97.10149	1.2
98.22707	1.0
98.97562	1.3
99.11747	1.5
101.09656	15.7
105.07024	5.7
107.07058	2.0
107.08591	25.7
108.08939	0.9
109.06528	6.7
109.10158	4.8
111.08069	3.2
117.89879	1.0
119.08578	4.1
121.06492	1.0
121.10137	9.3
123.08089	5.1
123.11672	1.7
125.05988	1.1
125.09614	4.2
130.08617	1.6
133.07587	1.5
133.08600	28.3
133.10152	2.3
135.08047	24.3
135.11681	3.8
137.05945	3.1
137.09648	1.6
139.07526	7.5
141.16370	2.6
145.10141	1.7
147.11661	2.2
149.09608	3.3
149.13245	7.8
151.07570	1.4
151.09682	1.7
152.08292	3.9
153.09077	1.3
157.10243	1.0
159.11690	2.4
161.09593	1.7
161.13171	1.3
163.11221	1.3
165.09120	16.5
173.13271	1.1
177.11192	5.6
177.12743	6.8
178.13467	1.4
179.10759	1.1
179.14255	4.4
181.15846	9.2
185.19067	2.0
191.14325	7.0
209.15369	17.1
229.21649	1.5
239.14922	7.8
249.18457	0.8
263.20129	2.1
274.97656	1.3
291.19513	1.8
305.21152	1.3
319.26065	1.0
329.24588	1.5
335.25516	8.0
347.25803	100.0
348.26105	6.9
379.16214	3.1
379.28284	47.5
380.28683	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	379.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01885	0.9
55.05509	7.2
57.03429	0.7
57.07061	2.5
59.04986	0.7
65.03947	0.9
67.05504	10.8
69.03467	0.9
69.07069	14.4
69.49572	1.7
69.49963	1.5
70.53116	0.6
71.04995	8.5
71.08630	1.2
75.77288	0.6
79.05491	8.5
80.88831	0.7
81.07059	19.7
83.04977	2.9
83.08611	4.2
85.06540	5.1
85.10180	0.8
89.06010	3.3
91.05471	9.0
93.07043	18.0
94.07368	0.9
95.04972	2.9
95.08600	11.1
95.69661	0.7
97.06543	5.0
97.10178	1.3
98.97601	0.8
99.08096	1.8
101.09641	0.9
105.07021	7.5
107.08592	17.6
109.06506	7.9
109.10139	4.0
111.08079	2.6
111.11700	0.8
117.07024	1.3
119.08578	7.0
121.06507	2.0
121.10133	8.8
123.08070	5.2
123.11727	3.9
125.06012	1.2
129.07043	0.7
131.08614	1.7
133.08606	1.6
133.10124	4.6
135.08052	28.6
135.11674	6.1
137.05959	3.5
137.09621	2.1
137.13197	1.1
139.07541	5.2
145.10141	1.5
147.11693	9.1
149.09615	3.7
149.13258	2.0
150.06813	1.0
151.07521	2.0
151.11136	0.9
152.08316	2.3
153.09103	2.1
158.48380	0.7
159.11708	1.3
161.09584	0.9
163.11186	1.1
163.14847	1.2
165.09109	23.7
165.12744	9.7
166.09547	1.2
175.11237	0.9
175.14891	0.7
177.12732	17.8
179.14287	0.9
183.13754	5.8
187.13292	2.4
189.12744	0.8
190.45064	0.6
191.14352	2.1
193.12202	1.4
195.13846	1.3
197.15376	6.7
201.14851	11.8
205.15865	1.1
215.16472	1.9
274.97440	1.2
291.19598	2.0
293.21054	1.0
296.60001	0.9
301.25098	0.8
305.21124	3.9
323.22229	3.3
329.24774	1.4
338.96732	1.1
347.25803	100.0
348.26175	9.0
359.31268	0.7
379.28497	15.3
380.28659	2.1
396.85004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1109
Annotation	Dehydropuntarenine
Peak:m/z	Relative Intensity
54.41288	2.6
56.96550	3.0
69.94447	2.2
70.32219	2.7
70.32526	4.4
88.42741	2.3
98.97565	4.9
102.12794	3.2
121.10156	6.3
147.11710	5.6
165.12775	5.7
183.13829	7.4
200.33475	2.7
218.07799	3.8
238.74911	2.6
290.37485	2.8
309.63861	2.8
380.06635	6.2
380.11060	100.0
380.88242	2.9
381.11383	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82919	2.2
53.03939	9.0
55.01879	11.6
55.05516	21.3
57.03421	7.5
61.02909	6.1
67.05496	6.1
68.99795	4.3
69.03430	37.1
69.07051	8.4
71.04993	6.7
71.23088	2.2
73.02915	8.9
79.05499	6.0
81.02972	2.7
81.03422	33.0
81.07051	5.4
83.08598	3.2
83.34299	1.9
84.04459	1.9
85.02906	100.0
85.36917	1.9
87.00835	42.7
91.05464	6.3
93.07046	7.5
95.04967	4.0
95.08608	16.2
97.02889	28.8
97.06505	3.1
97.10167	30.7
99.04468	16.6
101.09271	2.0
105.01868	39.5
105.07024	4.8
107.08595	6.3
108.04439	4.2
109.02884	29.7
109.10128	4.9
111.04439	2.4
111.08044	2.6
113.09638	2.4
115.11231	17.4
117.01897	4.1
117.07005	2.3
119.08566	3.4
119.49740	1.8
121.10120	7.7
123.04431	30.2
125.09641	7.0
127.03921	64.6
127.11190	2.5
129.01823	6.1
131.08635	2.3
133.10124	3.4
135.08093	2.6
137.09637	2.8
139.11223	4.8
141.05455	3.4
145.04958	39.0
147.02875	5.5
147.04396	2.5
147.08083	3.8
149.06001	2.7
159.02910	19.1
161.09824	2.3
163.11179	3.1
165.09113	2.9
177.12717	2.5
181.12216	8.6
189.03976	3.4
205.12242	11.5
213.03860	2.5
217.08119	3.0
223.13301	16.8
231.04935	17.0
234.44824	2.1
234.46935	2.6
238.98695	2.1
244.69119	2.0
249.06081	2.8
272.96732	2.2
274.97421	3.9
309.13345	7.4
327.14603	5.2
338.96738	5.5
380.14011	19.5
380.18365	3.6
381.18750	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	380.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.4
55.05506	2.8
62.62347	1.5
67.05498	16.3
69.03423	3.8
69.07058	4.4
70.73347	2.6
71.04991	42.6
73.02917	2.7
79.05502	3.3
81.03451	2.6
81.07057	4.2
83.04968	5.6
85.02911	14.6
85.06538	13.0
87.03979	1.6
87.04474	20.7
91.04008	1.5
91.05492	14.1
93.07046	14.0
95.04954	6.8
95.08604	5.7
97.02904	2.4
97.06488	2.1
99.04456	5.2
101.02363	3.7
105.07036	12.5
107.08625	2.2
109.06528	2.8
109.10146	6.5
111.04508	3.0
111.62046	1.9
113.06003	30.9
115.03939	13.6
115.17126	1.8
119.08562	16.4
120.08069	2.9
121.06499	4.8
123.08076	35.0
129.06990	4.7
135.08084	4.1
137.09613	30.5
138.10016	1.6
141.05466	3.5
147.08040	13.4
148.08282	1.5
148.42928	1.6
153.09103	3.8
155.10652	3.6
165.09109	44.4
166.09438	1.8
183.10172	100.0
184.10431	2.4
192.00790	1.6
201.11220	90.4
202.11617	4.1
211.82228	1.5
258.13666	1.5
300.07126	1.6
324.67017	1.5
380.10361	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	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.7
60.04520	3.8
67.05482	3.4
68.99795	1.8
69.03419	3.1
79.05494	4.6
81.03427	1.9
81.07066	6.1
83.04990	5.0
83.08621	2.5
85.02911	5.6
91.05479	2.8
92.15659	1.3
93.07047	2.9
95.04973	3.3
95.08598	12.0
97.02903	2.5
97.06564	2.4
98.97581	2.7
105.07034	9.5
107.04955	4.0
107.08607	3.8
109.02876	17.8
109.06541	3.0
109.10142	2.3
119.08565	3.7
121.10178	2.5
123.08058	9.4
123.11749	6.5
127.03912	48.1
127.07526	4.0
133.06537	3.4
136.06178	3.0
137.09619	3.2
137.13237	2.5
141.05461	3.7
146.53210	1.4
147.04480	1.4
147.11684	3.6
149.39117	1.6
151.07523	11.9
153.09145	1.6
153.12645	1.3
157.10039	1.5
164.07014	2.3
165.09131	5.6
165.12752	2.9
168.63609	1.5
169.08598	100.0
170.08885	3.9
183.06532	4.3
183.10187	8.5
183.13860	1.7
201.11217	39.0
201.12982	2.9
207.06599	1.4
218.99596	1.5
237.00693	6.1
245.47720	1.3
255.01685	2.8
266.18341	1.7
368.28000	1.4
380.09857	9.9
381.11276	4.7
381.15393	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	380.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.8
56.49599	1.3
57.03432	1.9
57.91962	1.2
61.02928	2.6
67.05502	18.1
69.03428	4.0
69.07065	2.7
69.72376	1.1
70.07114	3.1
71.04976	3.0
79.05477	1.8
81.03403	2.3
81.07048	13.1
85.02911	12.7
91.05470	2.3
93.07028	4.2
94.24004	1.2
95.04967	3.0
95.08610	12.1
97.02875	2.2
97.06516	1.8
98.22717	1.4
98.97608	2.5
99.04428	2.8
99.08109	2.4
100.07685	1.3
105.07039	2.5
107.08601	3.6
109.02836	1.4
109.10160	59.3
116.98631	1.9
119.08608	4.2
121.10175	4.1
123.11699	4.0
125.05975	6.2
125.91868	1.2
127.03928	1.9
137.09608	84.3
138.09979	2.0
140.75867	1.3
145.04974	2.0
147.04407	3.4
155.10661	33.4
165.09102	58.9
165.12779	1.6
180.08595	1.3
183.08525	1.9
183.10167	39.3
201.11214	100.0
202.11548	4.2
219.12254	2.3
274.97589	3.2
292.98694	1.4
297.63992	1.4
310.23102	1.5
317.15213	1.4
338.96701	4.5
340.53091	2.0
380.16312	1.6
380.27863	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	380.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
57.07070	1.5
64.83561	0.7
67.05507	3.9
69.07068	6.2
71.05008	0.9
71.08631	1.6
76.57339	0.6
77.03896	0.9
79.05492	11.8
81.07056	13.6
83.04970	0.8
83.08626	1.9
89.20597	0.6
91.05473	5.0
93.03393	1.5
93.07037	7.4
95.04945	4.1
95.08607	9.0
97.02886	2.4
97.06532	2.9
97.10218	0.7
98.22657	1.4
99.04451	0.7
99.08098	0.9
105.03349	1.1
105.07027	23.2
107.04960	6.6
107.08591	6.7
109.06507	7.6
109.10152	5.3
111.04442	45.0
111.08116	0.7
111.10601	0.7
111.11742	3.9
112.04769	1.3
117.07021	1.7
119.04921	0.9
119.08576	20.6
121.06512	2.6
121.10136	2.0
123.08047	1.1
125.05998	15.9
127.03954	1.4
129.05513	0.9
129.06929	0.7
131.08562	7.2
133.06490	1.6
133.10133	12.2
135.08084	1.2
137.05968	2.3
137.09641	1.0
139.11223	1.2
143.07066	3.9
143.08591	1.8
145.10117	6.8
147.08070	2.0
147.11658	8.5
151.07510	0.8
157.10133	1.1
159.11644	1.6
161.09601	1.6
161.13182	1.2
163.11191	1.8
165.12758	17.1
166.00133	0.7
171.11752	0.8
173.13272	12.5
175.14821	88.2
176.15147	4.5
183.11694	1.2
185.13246	5.1
186.51460	0.7
187.14796	1.2
191.14383	4.3
193.12277	1.2
197.13361	0.9
201.12729	1.4
203.14323	15.8
204.14684	0.8
207.11584	0.8
221.15381	2.4
225.12866	1.6
234.14108	1.3
239.17902	1.0
249.16386	4.0
261.22134	1.7
267.17447	9.6
285.18524	6.0
289.21619	18.9
295.17050	0.9
307.22650	1.9
345.20593	100.0
346.20929	7.3
363.25363	1.6
380.24420	2.5
381.18463	0.7
381.26331	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	380.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29233	0.7
51.07313	0.8
55.05510	2.1
57.07068	1.4
59.04995	3.1
59.26995	0.7
67.05499	1.9
69.03437	0.8
69.07076	6.6
69.07426	1.3
69.88151	1.5
70.97418	0.7
77.03911	0.9
79.05495	7.8
81.06617	1.3
81.07056	12.2
83.04986	1.0
83.08654	0.7
91.05483	4.2
93.03422	1.5
93.07034	4.7
95.04986	2.1
95.08614	7.5
97.02904	1.8
97.06557	3.5
98.97585	3.0
105.03392	1.3
105.07032	21.2
107.04964	6.7
107.08580	4.4
109.06503	2.5
109.10183	4.9
111.04446	35.4
111.11734	4.0
112.04829	1.0
115.11247	0.9
116.98650	1.3
117.07025	1.4
117.38885	0.7
119.08589	19.6
119.09429	1.3
120.08866	0.8
121.06491	0.9
121.10138	1.4
121.68011	0.8
123.08060	1.0
125.05988	14.2
127.03940	1.4
131.08575	5.8
131.61198	0.8
133.06506	2.5
133.10126	14.1
137.05980	2.4
142.06648	0.7
143.07039	2.7
143.08577	2.0
145.10133	6.2
147.08098	1.8
147.11681	6.3
149.09554	0.9
157.10173	1.9
159.11736	1.7
161.09625	1.2
163.11212	1.0
165.12758	1.0
171.11726	0.9
173.13266	10.9
175.14828	84.2
176.15141	3.8
185.13332	3.5
187.14830	1.1
191.14207	0.7
192.91168	0.7
197.09627	0.9
197.13185	1.1
203.14328	11.5
203.16231	0.9
207.11757	1.0
211.11148	1.7
221.15433	1.9
225.12810	0.8
239.18024	1.1
241.19424	0.8
249.16359	4.6
256.96585	0.9
267.13138	0.9
267.17450	7.4
274.97592	3.5
285.18488	6.6
289.21692	2.0
292.98590	2.6
307.22644	0.8
317.21152	1.1
338.96814	3.3
345.20618	100.0
346.20963	7.1
380.19128	1.4
380.24405	2.5
381.18314	0.9
381.25653	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.05478	1.4
56.05017	1.4
57.03408	0.8
60.04512	0.9
62.06091	7.7
67.05495	2.2
69.03424	0.9
69.07059	2.2
71.04964	0.8
71.46339	0.9
74.06083	5.8
79.05491	3.3
81.07050	8.7
85.02887	1.3
85.26733	0.9
86.09693	2.8
91.05489	3.2
93.07047	5.9
95.05018	0.8
95.08604	6.6
97.06535	2.7
98.42378	1.0
100.07622	6.4
105.07032	8.1
107.08597	7.9
108.08886	0.9
109.06522	1.1
109.10146	2.5
111.08118	2.1
117.07007	1.8
119.08592	3.4
120.08102	6.2
121.08429	0.9
121.10124	7.7
123.08089	1.7
123.11693	3.0
129.07071	1.1
130.85478	0.8
131.08551	3.8
133.10150	4.2
135.11697	1.8
143.08534	1.3
145.10103	4.6
147.11668	2.2
149.13266	0.9
157.10129	3.2
159.11708	3.0
161.13295	1.4
164.07092	1.1
171.11708	1.8
172.13354	1.3
173.13268	1.3
175.14897	1.6
185.13239	1.7
197.13123	1.0
201.16451	0.9
203.29842	0.8
218.13985	1.1
231.21013	0.9
233.16457	1.0
235.10759	1.9
241.19531	1.5
259.20557	1.6
278.04767	0.9
320.25821	7.6
362.27011	1.1
380.20178	2.7
380.27948	100.0
381.12067	1.0
381.15347	7.2
381.19315	1.2
381.28326	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	380.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.4
55.05502	1.7
56.05035	0.7
57.72619	0.4
59.71379	0.4
59.95592	0.4
60.04523	0.7
61.02923	1.1
62.06089	7.5
66.34167	0.4
67.05507	2.8
69.07079	1.1
70.06575	0.5
70.58904	0.8
71.05000	0.7
72.04500	0.4
72.08160	0.8
74.06075	5.8
79.05486	2.4
81.03437	0.4
81.06615	0.8
81.07056	7.8
82.38894	0.4
82.53024	0.5
85.02901	0.6
88.11276	0.8
91.05467	2.7
93.07043	7.6
95.04957	1.4
95.08607	6.6
97.06522	1.7
97.10183	0.7
99.61011	0.4
100.07615	8.1
105.07023	6.2
107.08585	7.7
109.06525	1.1
109.10150	3.3
111.08087	1.5
114.09181	0.6
117.07027	0.9
119.08572	4.3
121.06495	0.4
121.10143	6.9
123.08057	0.9
123.11703	3.6
128.06219	0.4
129.06976	0.8
130.12277	0.4
131.08568	3.8
133.10106	4.8
135.11699	1.8
142.07797	0.5
143.08546	2.1
144.03813	0.4
145.10121	3.8
147.08041	0.4
147.10611	0.4
147.11612	2.3
149.13283	0.5
151.11087	0.6
155.08432	0.6
157.10098	2.8
159.11697	3.0
161.13274	1.8
167.10677	0.7
168.34180	0.5
171.11716	1.7
172.13254	0.8
173.13261	1.5
175.14848	1.0
181.05029	0.5
183.11754	0.6
185.13255	1.8
187.14810	0.7
197.13335	0.9
199.14804	1.6
201.16383	0.7
209.13187	0.6
213.16429	0.7
241.19547	1.6
248.30313	0.4
259.20602	0.6
269.04483	0.5
270.19025	0.5
274.97546	0.5
320.25940	3.7
331.09348	0.6
336.16800	0.5
336.25259	0.7
362.26917	2.0
380.27942	100.0
381.28311	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	380.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05500	2.8
57.19999	0.7
60.02528	0.6
67.05493	3.0
68.05032	1.4
69.07072	3.7
70.06594	42.3
70.70096	1.1
71.04997	1.5
71.52624	0.7
79.05482	2.6
81.07057	3.9
82.06580	3.0
83.04983	1.8
83.07352	3.3
83.08605	1.7
84.08144	10.6
85.02882	0.8
90.49574	0.6
91.05464	2.1
93.07043	5.6
95.04967	1.4
95.08588	2.3
95.11549	0.7
97.06523	1.8
98.09698	2.5
98.97577	1.9
99.04463	0.8
105.07005	0.8
107.08665	1.3
108.08138	0.7
109.06498	1.1
109.10151	1.5
110.06059	1.4
111.04449	2.0
111.06836	11.3
111.08041	0.8
116.98610	1.7
121.10127	1.4
130.84917	0.7
131.08569	1.0
139.11220	0.9
140.10744	1.0
143.08691	0.8
152.14325	8.4
173.11774	1.1
180.13835	76.6
181.14172	3.3
198.98970	0.9
241.28294	0.7
254.17543	2.0
264.19440	0.8
274.97607	3.2
282.20596	1.2
292.98657	2.5
297.98956	0.9
338.96725	3.7
356.98169	0.9
362.26575	1.5
377.46313	0.8
380.17722	2.1
380.27972	100.0
381.18787	1.1
381.28354	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	380.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50081	2.7
55.05494	3.1
57.07078	82.1
64.45340	2.7
68.57639	2.8
69.07082	6.9
69.10152	3.3
71.08633	65.0
80.35014	3.4
85.10188	38.1
89.06033	100.0
97.10190	4.7
99.11725	9.0
107.07048	7.5
111.11710	4.2
113.13334	5.2
130.08698	3.2
133.08600	37.5
151.09685	9.1
175.72011	3.5
177.11218	10.0
195.12308	88.2
196.12560	3.8
279.20355	3.2
307.03253	3.0
363.31012	76.5
364.31400	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	381.0586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95113	2.9
62.06099	5.2
67.05505	4.4
69.70176	6.4
69.70520	5.6
72.08154	5.1
74.06074	3.1
79.05485	6.1
81.07060	7.3
84.08139	3.8
85.02913	7.3
92.39227	2.9
93.07044	5.0
95.08651	4.4
97.16687	2.8
98.22668	2.9
100.07631	4.3
105.07055	4.4
107.08605	6.7
110.02412	3.2
118.68639	2.5
119.95463	2.7
121.10116	4.8
130.04134	2.7
147.04364	4.5
162.07884	25.4
165.12735	3.6
190.06256	15.7
191.03418	4.1
193.08556	13.7
201.01686	3.5
206.05719	5.5
207.62668	2.7
216.15012	3.3
219.00557	100.0
220.00896	4.9
221.08067	68.5
231.91553	2.7
242.10535	3.4
243.07716	2.9
267.07642	5.6
286.88425	3.2
303.13358	8.7
319.12979	3.9
329.94855	3.6
331.09253	6.6
331.12988	7.5
349.14084	7.7
380.27957	35.6
381.05893	96.7
381.11108	5.4
381.15067	16.6
381.20761	26.7
381.28033	15.1
382.06091	8.7
397.58716	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54195	2.4
52.79781	2.8
62.31566	2.5
64.06621	2.8
70.25388	6.1
75.60246	2.3
75.86808	3.3
76.33645	2.7
76.50159	2.6
79.55581	2.5
112.89595	11.6
140.32338	3.2
201.01471	4.6
230.49931	2.6
275.57294	2.7
326.43884	3.0
378.39816	2.5
381.07928	100.0
382.08310	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	381.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91421	2.0
65.73454	2.4
70.76718	3.7
81.87305	2.1
92.30625	2.0
94.47456	2.1
94.93000	3.2
112.89587	4.9
117.02763	1.9
201.01660	2.3
202.89075	2.4
204.54596	2.0
209.26192	2.2
219.02617	3.6
232.90198	4.0
261.36600	2.1
264.43542	2.3
280.15399	2.3
306.83310	2.8
331.87555	2.2
381.07941	100.0
382.08276	4.8
397.01746	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	381.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55870	0.5
63.59171	0.4
67.05491	1.1
67.08897	0.6
68.95033	0.6
69.03411	0.8
69.33828	0.5
69.65546	1.8
70.06598	0.6
79.05482	1.5
81.07040	1.3
85.02892	1.4
94.05869	0.5
95.04963	1.0
99.08096	1.3
102.16591	0.6
107.08595	3.4
109.10180	0.9
111.04450	1.1
111.08083	0.5
113.22408	0.5
117.09136	1.3
121.10104	1.3
125.09647	1.0
127.03986	0.6
139.11203	0.5
142.08624	1.0
153.09093	2.4
165.09012	0.7
165.10410	0.5
167.10669	1.4
171.10165	2.2
183.10226	0.7
185.11761	1.6
195.61040	0.5
203.12856	2.0
209.04385	0.5
218.10341	0.6
219.57492	0.5
314.57251	0.6
317.05118	0.5
361.65042	0.6
381.11499	100.0
382.11880	6.4
382.16364	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16679	1.8
56.96568	5.2
59.04985	2.6
67.05501	2.7
70.06603	2.3
76.23392	2.0
81.07058	2.6
83.18013	2.1
95.08604	2.2
98.22710	5.8
105.07005	3.0
119.08609	2.6
128.98615	2.6
179.06761	3.2
229.07635	2.6
241.07500	3.3
253.10426	4.3
259.08752	3.4
267.08975	8.9
285.10172	16.2
363.17899	4.2
370.67892	2.1
375.81454	2.2
381.19104	100.0
382.18973	6.4
382.47839	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	381.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	7.2
55.01873	16.0
55.05517	34.0
56.96559	22.0
57.03432	22.9
67.05499	42.3
69.03448	7.6
69.07072	21.0
69.69842	22.5
70.06591	16.5
79.05490	35.7
80.46254	5.2
81.03430	8.6
81.07058	47.3
82.95834	5.8
83.04987	100.0
83.08611	9.6
85.06550	5.3
91.05474	27.1
93.07059	34.6
95.04965	19.3
95.08590	32.3
95.28624	5.4
97.06569	8.3
97.10147	5.9
98.23382	13.2
105.07031	16.8
107.04941	8.8
107.08581	16.5
109.06509	20.6
109.10119	11.5
111.08068	9.6
117.07006	7.8
119.08586	17.3
121.06480	17.3
121.10146	16.9
123.08111	13.1
125.05969	8.8
129.05530	9.8
129.07007	7.5
131.08601	10.9
133.10126	11.6
135.08031	12.4
137.09596	8.2
139.07497	8.5
143.07092	6.2
145.10136	11.7
151.07550	8.9
157.08595	13.2
159.08047	11.7
163.07506	6.4
171.11681	7.2
182.15466	16.5
219.15266	6.0
229.07457	29.4
247.08589	14.0
267.09134	9.8
271.16980	12.7
285.09808	7.6
289.18082	46.2
289.21152	9.5
307.18970	9.8
309.09235	6.0
311.11819	9.9
363.21680	17.7
381.18542	23.9
381.22516	61.7
382.29523	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	381.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	11.2
55.05519	17.9
56.96565	15.5
57.03423	16.5
62.93568	6.0
64.97817	9.6
67.05508	37.1
69.07076	9.0
70.06603	16.1
71.05005	8.4
79.05507	29.3
81.03419	8.9
81.07067	30.6
81.33808	6.1
83.04985	21.2
91.05484	24.2
92.42984	6.0
93.07059	21.4
95.04978	10.5
95.08620	22.7
99.08092	7.5
105.07061	22.3
107.04977	11.3
107.08585	19.3
109.06489	16.0
109.10192	14.3
116.98620	8.6
119.08622	11.9
121.10143	10.5
123.08102	10.5
125.09624	12.1
135.08075	14.4
137.09641	6.7
145.10181	8.5
147.11699	6.5
151.62306	6.7
159.08025	11.8
173.13272	7.4
181.12943	6.3
182.15446	12.7
189.11203	9.6
229.07430	9.5
247.08705	8.9
271.16855	8.9
275.21533	8.4
289.17914	33.2
307.19107	7.7
335.18515	22.9
363.17609	9.2
363.21674	25.9
364.78046	7.0
381.18274	10.4
381.22391	100.0
381.30481	8.0
396.47546	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	381.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73590	3.1
55.05516	4.8
56.96566	6.2
58.50212	2.9
59.97562	3.1
64.97830	3.0
67.05501	5.6
70.06568	6.4
70.34020	4.7
70.34344	3.9
77.34292	2.7
79.05490	5.5
81.07061	4.6
91.05458	4.3
93.07047	4.9
95.04989	3.4
95.08585	3.7
105.07011	3.3
107.08624	4.3
109.10176	4.0
119.29538	3.0
131.74590	3.4
137.09651	6.6
229.07474	5.6
247.08530	3.6
253.10306	3.7
293.10638	8.1
311.11737	5.8
318.77631	2.9
363.17877	3.9
363.21851	3.8
381.18588	79.3
381.22598	100.0
382.22833	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	381.1804
Annotation	Vomicine
Peak:m/z	Relative Intensity
55.05502	0.7
56.96565	1.4
57.07065	0.7
59.04991	0.7
62.55766	0.7
65.83020	0.8
67.05500	1.5
69.07066	1.8
79.05463	0.9
81.07047	1.9
91.05499	0.6
93.07024	1.8
95.04962	1.1
95.08595	1.0
105.07038	0.7
119.08573	1.2
121.10065	1.1
121.34834	0.7
125.16788	0.7
131.08527	1.4
133.10110	1.3
135.08076	1.1
135.26544	0.6
169.48943	0.6
174.81752	0.7
195.13821	2.8
207.09819	0.9
293.13516	1.0
309.20490	1.6
347.21936	19.0
347.26126	0.9
348.22385	1.0
359.18948	2.2
363.21387	1.9
363.25461	1.4
377.20093	1.1
381.17999	100.0
381.21582	4.4
381.26202	2.8
382.18320	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	381.1804
Annotation	Vomicine
Peak:m/z	Relative Intensity
55.05515	4.7
56.96564	5.1
63.26785	1.6
67.05501	6.6
67.05843	1.8
67.17869	1.7
69.07073	4.0
69.58014	6.8
71.04975	2.4
71.08635	5.6
76.60226	1.7
79.05495	5.3
81.07050	8.2
83.08620	2.4
85.06550	2.5
91.05482	2.6
93.07047	7.1
95.04957	8.7
95.08607	5.7
99.08078	4.4
105.07043	4.3
107.08616	5.0
109.06528	10.4
109.10149	1.9
117.07040	2.5
119.08562	3.4
121.06525	4.8
121.10166	3.4
123.08128	1.6
129.07028	1.5
135.08078	4.8
143.08559	2.6
145.10080	1.6
149.09605	2.5
159.11684	1.8
161.60590	1.8
163.11203	3.0
165.12770	24.0
167.11823	1.5
173.13268	1.7
174.91422	1.7
178.15900	1.9
191.14328	5.6
200.11218	1.6
222.63258	1.6
235.24809	1.9
260.23083	2.0
261.22192	4.5
289.18472	2.8
289.21600	35.4
307.22693	2.7
347.21750	3.7
349.19879	8.2
359.19040	4.0
363.25427	3.3
377.20081	5.5
381.18079	100.0
381.22455	15.5
381.26456	19.8
382.18427	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	381.1886
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
54.50549	0.4
56.96561	0.4
62.74710	0.4
69.07061	0.6
69.23923	2.6
83.08621	0.6
104.29646	0.4
105.07017	0.5
127.32775	0.4
148.17052	0.5
179.06792	2.7
209.07942	0.7
225.10962	1.6
253.10504	7.4
254.34308	0.5
267.09341	0.9
275.98087	0.5
285.10193	0.7
345.31378	0.5
363.17935	0.7
381.18829	100.0
382.19186	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	381.1887
Annotation	Pro Gln His
Peak:m/z	Relative Intensity
50.21328	0.8
54.28334	0.7
54.59344	0.9
55.01873	0.7
55.05499	2.3
57.03434	1.7
57.96561	0.8
67.05498	4.3
69.07061	0.9
69.28889	4.2
70.06584	1.0
76.73891	0.7
78.64775	0.8
79.05492	3.9
80.06283	0.8
81.07040	2.4
83.04980	1.4
83.08627	1.3
91.05472	3.0
91.14002	0.8
93.07042	2.8
95.04975	1.3
95.08598	1.1
97.06519	1.4
105.07027	2.1
107.04936	1.4
107.08617	1.5
109.06519	1.7
109.10096	0.9
111.08075	0.9
117.06995	0.8
119.08555	0.9
121.06495	1.6
123.08057	1.1
125.09590	1.1
127.22014	0.8
131.08553	1.0
137.09612	2.0
145.10019	0.9
159.08098	1.3
179.06729	1.1
195.09929	1.0
215.14322	0.8
217.08105	2.4
225.11021	1.0
233.15221	1.2
253.10498	6.3
272.21042	0.8
289.17911	4.3
363.17618	1.8
363.21655	1.9
367.93680	0.9
381.18765	100.0
381.22507	7.9
382.19107	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	381.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11517	2.5
50.48737	2.6
55.05505	3.0
56.96572	6.5
56.99707	2.4
58.67257	2.9
62.70463	2.5
67.05495	6.2
79.05510	5.9
81.07053	4.9
91.05500	6.0
93.07059	4.9
95.04990	6.8
105.07047	8.0
107.08621	4.7
119.08578	5.9
121.10123	3.0
131.08598	3.9
145.10201	3.1
157.10052	3.8
168.02371	2.6
173.09569	3.2
174.16653	3.2
229.07503	10.1
239.09702	3.2
244.23935	2.9
247.08554	5.3
289.17944	3.1
289.31949	3.0
291.64279	2.6
294.18091	2.8
296.99429	2.7
328.43283	3.1
363.21649	6.2
381.19998	63.1
381.25986	100.0
382.26477	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	381.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88533	3.0
56.96561	19.5
66.98352	3.1
67.05510	3.4
69.07056	5.7
70.06587	7.0
71.46822	3.8
79.05487	9.1
80.94827	5.0
81.07055	6.5
84.68445	3.3
91.05501	5.9
93.07046	7.8
95.04960	5.5
97.06484	4.9
98.97608	3.9
105.07018	8.4
107.08595	4.5
114.95720	4.2
119.08579	4.2
119.19678	3.7
128.98650	4.3
133.10100	5.6
147.06720	5.1
175.08011	3.6
176.07155	4.6
182.15384	6.7
185.04874	5.2
197.13432	3.5
199.06422	10.7
200.83199	4.0
211.06439	6.4
217.07414	13.2
229.07489	50.9
243.04942	3.8
245.06461	7.3
247.08501	34.1
253.11218	6.2
267.66043	3.5
290.43143	3.9
294.18973	4.1
313.16888	11.5
331.15698	7.7
333.17673	4.0
349.16577	7.5
381.19595	100.0
381.25766	31.0
382.19812	8.5
382.24149	7.1
382.29483	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	381.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79851	1.8
55.01883	2.4
55.05506	8.7
57.03447	4.3
67.05505	9.1
69.03442	2.4
69.14223	11.5
79.05492	7.8
81.07059	5.9
83.08605	3.4
91.05465	3.2
93.07039	6.0
95.05005	1.8
95.08565	3.5
96.22698	1.8
97.10172	5.9
97.91851	1.9
98.22768	4.2
105.06996	3.9
107.08598	5.0
109.10160	4.5
111.04441	3.0
111.08107	2.1
117.07037	2.7
119.08565	2.1
121.06507	4.6
121.10113	2.2
125.09645	8.5
129.18315	1.9
131.08595	3.3
133.10168	2.4
135.08131	2.9
137.09612	16.2
145.10149	3.5
163.07494	2.3
189.11263	7.0
206.68739	2.3
235.13417	2.2
236.13644	2.8
263.16278	1.8
271.17050	2.8
289.17932	17.7
358.66821	1.8
381.22565	100.0
382.22882	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	381.225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71668	2.0
55.05515	5.4
57.03445	3.5
57.07074	3.7
58.04648	1.7
59.05014	3.4
67.05509	7.0
69.07069	6.0
69.10883	13.2
71.08637	5.4
79.05516	9.3
81.07072	8.6
91.05481	5.1
93.07058	9.1
95.04978	4.0
95.08623	6.1
99.08112	2.4
105.07040	6.8
107.08617	5.2
109.06499	12.2
119.08638	4.2
121.06507	4.5
121.10162	3.2
125.09631	3.1
131.08580	2.8
135.08049	2.0
143.90544	2.0
145.10136	3.9
149.09526	2.1
159.11694	2.2
163.11215	3.6
165.12758	25.3
166.13116	1.9
179.10538	2.2
191.14372	3.0
207.09972	15.7
225.16223	1.9
259.14850	2.1
261.22308	4.6
265.14133	2.0
279.81964	1.9
289.21561	23.4
307.22635	8.9
326.94385	1.9
330.57465	2.1
347.21933	100.0
348.22247	6.2
363.21460	25.9
363.25430	3.1
381.18118	7.9
381.26331	21.5
382.26697	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2259
Annotation	(-)-Galbonolide A
Peak:m/z	Relative Intensity
54.79851	1.8
55.01883	2.4
55.05506	8.7
57.03447	4.3
67.05505	9.1
69.03442	2.4
69.14223	11.5
79.05492	7.8
81.07059	5.9
83.08605	3.4
91.05465	3.2
93.07039	6.0
95.05005	1.8
95.08565	3.5
96.22698	1.8
97.10172	5.9
97.91851	1.9
98.22768	4.2
105.06996	3.9
107.08598	5.0
109.10160	4.5
111.04441	3.0
111.08107	2.1
117.07037	2.7
119.08565	2.1
121.06507	4.6
121.10113	2.2
125.09645	8.5
129.18315	1.9
131.08595	3.3
133.10168	2.4
135.08131	2.9
137.09612	16.2
145.10149	3.5
163.07494	2.3
189.11263	7.0
206.68739	2.3
235.13417	2.2
236.13644	2.8
263.16278	1.8
271.17050	2.8
289.17932	17.7
358.66821	1.8
381.22565	100.0
382.22882	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	381.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	22.2
55.01875	22.1
55.05515	45.8
56.23283	4.4
57.03178	5.0
57.03437	61.0
65.03944	5.3
67.05164	5.7
67.05507	90.7
67.05862	5.8
69.03436	9.2
69.07077	25.1
69.65032	15.2
70.52489	3.5
71.04990	14.5
78.58784	3.4
79.05499	68.5
81.03419	53.3
81.07059	95.1
83.04984	97.2
83.08632	20.1
83.09046	3.5
85.02911	3.4
85.06537	11.5
91.05484	67.0
93.07050	87.2
95.01328	14.2
95.04970	47.9
95.08608	58.1
97.06499	20.9
97.10172	11.4
99.08098	7.8
104.10979	3.5
105.07040	45.2
107.04958	87.2
107.08601	33.7
108.05750	3.5
109.02906	4.6
109.06526	28.3
109.10161	9.5
111.04447	65.4
111.08083	9.7
113.06009	10.0
115.38872	3.6
117.07033	37.1
119.04925	4.9
119.08570	34.6
121.06493	43.0
121.10149	14.5
123.04424	13.3
123.08073	31.9
125.05982	9.6
125.09628	14.0
129.05449	5.6
129.07002	8.1
131.04956	3.9
131.08557	37.3
133.06500	15.7
133.10139	23.4
135.08063	22.5
135.11690	34.7
137.09608	9.8
139.07574	8.0
141.07014	10.0
143.08565	6.8
145.06473	27.3
145.10127	20.9
147.08047	11.2
147.11693	14.4
149.09619	6.6
149.13263	13.6
155.08522	7.7
157.10132	8.3
159.08083	27.7
159.11676	37.3
161.09529	7.7
163.07527	16.2
163.11183	12.0
169.10121	14.7
171.11638	6.3
173.09630	9.1
173.13220	5.8
175.11224	9.1
177.09105	6.0
177.12759	40.5
179.14299	7.1
187.11172	29.3
187.14757	6.4
189.11206	9.9
189.12778	6.0
193.12248	10.5
195.13791	16.7
196.12450	3.3
205.12187	13.5
205.15877	11.8
211.13225	4.1
215.14359	6.2
219.13763	9.2
221.11636	6.1
221.15323	7.4
223.13272	42.6
225.16451	4.2
227.12651	5.1
233.15372	28.6
237.14957	6.3
241.14342	46.6
243.17361	6.0
247.13240	6.0
253.15941	6.5
261.18454	24.9
271.16879	23.4
279.15961	7.2
289.17987	100.0
290.18344	6.4
292.64169	3.4
297.16849	4.3
307.19211	21.9
307.61292	3.7
337.23041	3.5
363.21646	36.2
364.22168	4.4
381.22824	83.3
382.22775	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	381.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.01868	4.4
55.05511	12.3
57.03440	48.8
57.41094	1.0
64.97799	1.3
67.05507	22.7
69.03442	2.8
69.07066	6.7
69.10754	4.3
69.11155	2.7
70.07396	1.1
71.05001	1.7
79.05494	28.3
79.11684	1.2
81.03407	1.3
81.07057	22.8
83.04980	4.2
83.08625	7.0
85.06552	8.2
91.04950	1.8
91.05482	24.7
91.06062	1.4
93.07049	30.7
95.04979	8.7
95.08611	27.9
97.05939	1.7
97.06528	9.6
97.10174	4.2
99.04417	2.8
99.08109	3.2
104.18053	1.1
105.07031	22.0
106.07349	1.6
107.04961	12.5
107.08594	23.1
109.06519	41.5
109.10151	8.6
111.04373	1.3
111.08076	6.5
117.07022	9.5
119.08580	28.3
121.06490	8.5
121.10155	14.5
123.04441	2.4
123.08062	8.7
125.05962	2.3
125.09650	2.3
127.07564	1.7
129.07019	5.0
131.08563	10.2
133.06508	4.0
133.10152	16.4
135.08083	7.8
135.11705	7.0
137.05959	1.2
137.09595	8.2
141.06976	1.8
143.08566	6.9
145.06503	2.6
145.10114	11.6
147.08047	7.8
147.11690	4.3
149.09613	5.1
151.07532	1.2
151.11186	1.6
155.08488	1.9
157.10136	4.2
159.08057	9.7
159.11708	4.1
161.09673	5.5
161.13278	10.1
163.07516	3.3
163.11203	10.3
165.12714	1.3
169.10123	2.8
171.11710	6.4
173.09697	2.9
173.13319	2.2
175.11206	2.6
175.14848	3.2
177.09178	3.7
177.12729	1.9
179.14293	16.5
183.11684	1.5
183.15056	1.2
187.11227	1.4
187.14833	3.2
189.12798	5.2
189.16371	2.6
197.13173	1.7
199.11224	2.2
199.14828	9.6
201.16341	2.4
203.14397	1.2
205.15881	4.2
207.13815	10.5
215.14328	3.7
217.12231	2.5
217.15828	5.7
219.17503	2.7
223.13318	1.5
225.16460	1.7
233.15366	13.8
235.14569	1.3
235.16939	36.2
243.17473	4.0
245.15416	4.1
253.15858	4.2
261.18518	8.9
263.16425	11.4
271.16974	10.8
279.19632	3.9
281.17560	5.6
289.17987	45.6
290.18301	2.4
291.15793	2.3
307.19040	10.7
349.19656	1.6
363.21713	3.3
381.18585	27.7
381.22687	100.0
382.19147	1.9
382.23041	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	381.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	10.3
55.01857	7.0
55.05515	28.0
55.74566	5.5
57.03433	10.9
61.02919	12.1
67.05506	30.8
69.03434	63.5
69.07069	13.5
69.52930	22.2
71.04076	5.3
71.05003	18.3
73.02921	6.5
79.05505	24.2
81.03407	11.3
81.07066	53.1
83.04982	19.5
83.08620	14.1
85.02907	74.7
85.06570	6.6
91.05479	35.0
93.07047	73.0
95.04985	15.0
95.08591	65.8
97.02888	37.4
97.06546	8.7
97.10195	7.4
99.04461	18.8
105.07030	100.0
107.08598	62.4
109.02894	6.7
109.06516	8.6
109.10152	33.3
111.08103	11.5
117.07049	16.3
119.08564	62.6
121.06516	8.0
121.10158	59.4
122.36475	5.5
123.08081	8.8
123.11687	9.4
127.03901	25.9
129.06998	10.0
131.08537	40.7
133.10133	33.5
135.08148	5.8
135.11703	11.0
143.08595	13.3
144.09346	9.1
145.04968	19.8
145.10129	88.4
147.04420	13.2
147.11671	25.7
149.13287	16.6
157.10107	8.8
159.08064	5.6
159.11682	75.9
160.12210	5.8
161.13246	56.3
163.11160	6.1
171.11748	8.2
173.13329	18.2
188.15149	5.6
201.16389	79.0
202.16748	6.4
203.17979	15.9
219.17451	35.7
316.43698	5.5
349.69458	5.6
381.18793	35.8
381.23047	11.9
389.88989	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	381.2427
Annotation	5-Methyl-4-hydroxy-3-farnesylcoumarin
Peak:m/z	Relative Intensity
52.60923	0.7
55.01873	1.8
55.05512	1.9
57.03436	1.0
57.07078	3.5
59.05021	1.6
65.03947	1.4
67.05514	5.5
69.03442	3.6
69.07076	2.2
69.56654	2.5
71.04993	1.7
79.05502	5.6
81.03416	1.0
81.07056	8.7
83.04971	2.2
85.06546	2.8
91.05481	9.5
93.07047	7.8
95.04973	18.7
95.08598	3.9
97.06536	2.9
103.05484	1.4
105.07034	16.8
107.04944	1.2
107.08609	5.7
109.06545	5.4
109.10166	3.3
111.08109	1.3
115.05482	1.4
117.07029	4.2
119.04951	1.8
119.08606	12.1
120.08922	0.8
121.06522	2.6
121.10127	4.9
123.08061	6.3
125.06030	0.7
128.06230	1.6
129.07007	3.4
130.07841	1.2
131.08578	10.2
133.06488	3.1
133.10152	8.4
135.08046	5.0
137.05995	1.9
137.09616	1.3
141.06972	1.8
141.38469	0.8
142.07796	3.4
143.08578	7.0
144.09331	1.2
145.06474	1.8
145.10136	11.0
146.07359	1.3
147.08070	6.4
147.11719	1.4
149.09634	3.9
151.07553	8.9
153.05502	0.9
153.06924	0.9
155.08577	3.8
156.09334	4.3
157.10152	7.0
158.10895	1.8
159.08128	3.9
159.11734	5.5
161.09642	8.2
161.13304	1.3
163.11150	1.1
165.09143	3.6
166.07777	0.8
167.08533	1.4
168.09308	2.4
169.10112	4.7
170.10933	1.0
171.11668	4.6
172.08788	1.0
173.09644	14.7
173.11913	1.1
173.13242	4.1
175.11269	2.6
177.09109	2.6
179.08589	1.4
180.09454	1.2
181.10161	3.2
182.10956	1.0
183.11687	4.4
185.09641	1.3
185.13290	1.5
186.10513	1.6
187.11171	2.8
189.12773	2.8
192.09518	1.0
193.10158	1.7
194.10895	0.9
195.11729	4.2
195.13676	1.2
196.12344	1.4
197.09630	1.2
197.13316	3.1
198.10625	0.8
199.11133	3.4
200.11913	1.2
201.12744	4.9
203.14299	1.6
207.11765	2.7
207.13838	3.1
209.09653	1.0
209.13249	2.5
210.10435	1.0
211.11188	2.7
211.14813	1.0
213.12759	2.1
215.10771	1.5
215.14351	0.9
220.12517	1.1
221.13361	1.3
221.15370	2.9
223.11156	1.2
223.14774	1.3
225.12798	2.2
227.14371	1.1
229.12323	1.7
235.14879	0.9
239.14404	1.2
242.13028	1.1
247.14850	1.2
253.15968	1.3
263.14380	1.0
267.13928	1.0
294.53491	0.7
325.18115	1.1
339.14264	1.0
363.18216	1.2
363.23044	2.5
381.24249	100.0
382.24615	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	382.1708
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
52.29474	3.3
57.07047	4.1
72.04517	6.3
81.44198	3.6
90.05560	63.5
93.36294	3.2
98.02401	5.6
103.07564	6.0
116.03468	8.6
116.72691	3.4
121.42647	3.6
124.07576	8.6
184.09695	12.9
196.13684	3.7
202.10724	22.2
220.11795	100.0
298.42746	3.5
383.09229	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	382.1722
Annotation	O-beta-D-Glucopyranosyl-cis-zeatin
Peak:m/z	Relative Intensity
61.02917	1.6
69.03432	3.5
70.91921	0.9
81.03405	1.5
85.02901	4.0
93.58662	0.6
97.02879	1.8
107.97590	0.7
109.02892	1.1
125.09631	0.9
136.06181	100.0
137.06540	2.6
138.77216	0.7
148.06172	2.5
159.06612	1.0
177.05392	1.9
185.04204	9.7
185.08234	2.5
185.11702	1.7
202.10869	6.0
220.11929	89.4
221.04218	5.0
221.12149	3.1
303.55127	0.8
382.17194	74.4
383.09232	9.5
383.13162	31.9
383.17514	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	382.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96681	1.1
55.01859	6.1
55.05521	4.0
55.93528	1.1
61.02898	1.2
67.05505	4.5
69.03431	4.0
69.07067	8.3
69.64087	3.2
70.06594	2.1
71.04996	10.7
73.42089	1.1
79.05498	9.8
81.03413	2.1
81.07082	2.3
83.04972	5.5
85.02911	11.0
85.06548	3.2
87.04479	12.7
93.07056	10.9
95.08636	5.7
97.02895	3.7
97.06541	14.1
98.23330	1.9
98.97604	1.3
99.04454	2.5
105.07088	1.4
107.04975	2.3
107.08601	21.7
108.08968	1.6
111.04465	4.8
113.06013	45.7
115.03922	3.9
118.08674	1.3
119.08644	2.0
121.10155	24.5
123.08041	1.8
125.06014	12.7
125.09637	38.2
125.10501	2.6
131.08588	9.3
132.95805	1.5
136.06177	6.7
139.11186	18.4
143.07071	1.7
149.09628	20.4
167.10681	40.5
168.11040	2.1
185.11745	84.7
186.12085	3.1
203.12791	100.0
204.13139	5.1
220.11942	5.0
234.98997	1.8
237.00764	1.4
239.00064	3.0
239.02249	1.6
263.00015	5.4
280.00552	1.5
281.00906	2.0
292.08301	1.3
293.00955	1.8
299.05453	1.5
382.04535	1.9
382.16074	6.0
383.04343	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	382.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	30.5
69.03416	6.6
69.07069	5.3
70.06580	7.0
70.28703	12.2
71.04986	16.0
79.05474	31.2
81.07059	35.4
85.02904	22.4
91.05444	6.9
93.07003	11.2
97.02929	5.8
98.22675	5.9
107.08591	100.0
109.10125	10.6
110.07151	10.0
111.04461	41.3
113.57178	6.0
117.09125	20.0
121.10135	41.9
123.11689	12.1
125.09619	21.9
135.08023	12.8
139.11180	14.7
145.02794	12.7
149.09612	9.0
153.09085	92.6
163.96831	6.6
167.10690	51.8
171.10164	96.8
177.05453	13.2
185.11716	88.6
203.12769	52.2
209.02632	13.9
246.06282	5.6
279.79813	6.8
281.10364	6.1
319.08377	5.7
382.11481	65.2
382.16064	9.2
383.12411	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	382.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.9
55.01863	6.3
57.03439	4.8
57.07072	3.2
60.60714	0.8
61.02921	5.1
68.99785	2.8
69.03429	36.5
70.70918	1.7
71.04987	4.2
73.02920	6.2
81.03420	22.3
83.01365	0.8
85.02908	100.0
86.03241	1.8
87.00832	45.3
97.02898	33.0
99.04449	14.8
105.01871	83.0
106.02224	1.3
108.04476	2.4
109.02880	26.2
116.47002	0.9
117.01818	1.7
119.58902	0.8
127.03919	80.6
128.04286	2.4
129.01842	3.2
145.04968	38.2
147.02895	2.0
159.02911	13.7
163.05991	1.1
164.18065	0.9
165.14711	1.0
171.02930	1.1
189.03949	4.6
213.03940	3.2
225.14722	1.2
231.05003	24.8
249.06026	6.7
292.04483	0.9
304.28549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53032	3.3
53.03947	7.0
55.01871	4.6
55.05512	44.8
56.05020	15.7
56.96569	50.3
57.03439	18.4
57.07061	3.5
59.04990	9.0
61.73260	3.1
65.03933	9.0
67.05506	64.7
67.51009	3.5
68.05017	6.4
69.07071	80.2
70.06576	6.1
79.05493	100.0
80.05014	23.1
80.77272	3.5
81.07058	70.9
82.06589	11.1
82.07395	3.6
83.08636	27.1
85.06545	4.5
91.05480	88.5
92.05002	17.1
92.05766	3.1
93.05772	11.6
93.07045	68.6
94.06559	17.2
95.04951	18.5
95.08595	31.7
96.08098	4.9
97.06547	6.5
97.10167	15.0
98.09708	7.7
99.08112	7.3
105.04497	7.9
105.07027	41.0
105.58823	2.9
106.06527	20.5
107.08592	33.1
108.08131	37.8
109.06512	5.9
109.10180	7.5
115.05504	6.3
117.07008	30.0
118.06557	18.1
118.98891	3.6
119.08575	27.7
120.08102	11.7
121.10162	17.4
124.07624	4.9
125.09646	19.1
129.07033	5.3
130.06551	4.3
131.08575	28.6
132.08076	9.4
133.10127	13.3
134.09648	8.3
135.11670	4.6
136.86194	3.6
143.08545	7.5
143.10703	5.0
144.08055	4.4
145.10150	10.1
146.09634	8.7
147.10472	4.7
147.11693	10.3
148.11189	28.9
149.13254	4.6
157.10112	5.0
158.09692	6.2
159.11671	11.0
165.12759	7.8
169.10127	5.8
175.14735	3.9
176.14381	19.8
177.12756	14.7
186.12778	7.4
194.15427	14.1
195.06911	4.5
197.99982	3.4
204.13817	27.7
212.16527	6.4
217.15918	32.4
222.14883	31.1
224.33698	3.6
229.64240	4.0
234.18556	30.3
252.19505	8.8
272.19998	10.7
278.17584	35.7
290.21115	29.1
308.22104	11.9
341.17923	8.3
346.23706	5.6
348.22473	9.7
359.18890	64.9
360.18875	4.4
364.24808	92.8
365.25070	8.9
377.19986	54.6
382.17926	39.0
382.26096	10.6
383.17432	3.8
395.21268	10.2
408.72311	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	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98637	0.3
56.96564	7.4
69.99763	0.5
71.95269	0.4
98.97580	100.0
99.97916	0.8
107.50076	0.2
116.98620	46.4
117.98979	0.5
133.23433	0.2
134.99654	11.5
140.00160	0.8
143.87242	0.2
153.00694	0.9
158.01280	0.3
172.75339	0.2
174.97592	0.5
181.97385	0.3
184.94987	0.2
192.98798	0.3
198.97621	0.3
216.98761	1.3
217.98918	0.4
219.01950	0.3
234.99733	1.6
235.99878	0.5
240.98656	6.2
241.98701	0.4
257.96722	0.3
258.99759	71.2
259.99924	5.4
261.00012	0.5
261.03033	0.9
274.97711	0.4
275.97821	0.6
277.00806	80.9
278.00983	6.0
279.01199	0.5
282.01321	0.9
282.99915	1.7
284.00104	0.6
284.99789	0.5
295.01965	0.8
298.97781	0.5
299.97931	0.8
300.02484	1.5
300.97702	0.5
301.01080	2.0
302.01001	0.5
303.00916	0.6
317.98712	1.4
318.98663	0.5
320.01642	0.3
341.98944	0.8
343.02069	0.6
359.00235	0.4
360.00037	1.7
360.99655	0.8
382.99838	2.5
400.96405	0.4
401.01074	8.6
402.01300	1.3
405.21985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
90.12877	0.6
96.13417	0.7
137.38864	0.7
185.04216	50.2
186.04649	1.0
221.07887	25.4
235.94223	0.8
239.07669	2.2
257.08716	1.0
281.08698	1.2
299.05609	1.1
383.13101	100.0
384.13361	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	383.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
63.77898	0.5
67.05491	0.8
69.03383	0.6
69.45237	1.3
69.45630	1.1
77.03426	0.4
79.05441	0.5
81.07049	1.0
85.02925	0.5
91.05513	0.8
93.07018	0.9
95.08589	0.7
97.02860	0.4
98.22755	1.1
105.07045	0.7
107.08591	1.3
109.10168	0.6
143.01828	0.5
185.04221	5.6
203.05191	0.6
221.07855	100.0
222.08167	4.1
239.07706	0.6
299.05603	1.3
352.10272	0.9
383.13074	45.8
383.20889	1.4
384.13422	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	383.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22148	0.2
55.05497	0.3
56.19122	0.2
60.97259	0.3
69.03430	0.3
70.06600	0.4
70.62714	0.5
81.07035	0.3
85.02905	0.6
97.02921	0.3
97.06568	0.2
105.46394	0.2
125.09639	0.4
126.10016	0.4
127.03925	0.2
136.06178	2.8
137.06654	0.4
145.24907	0.3
148.06143	0.3
151.07623	0.4
168.11043	0.4
185.04233	5.6
185.05872	0.3
185.11800	0.7
186.04546	0.3
186.12051	1.3
203.14301	2.1
203.15735	0.2
220.11993	0.8
221.04240	3.1
221.07909	1.0
221.12289	0.9
222.13463	1.2
233.54524	0.2
287.07266	0.2
383.13211	100.0
384.13660	7.6
384.18518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	1.3
69.92285	3.0
77.38218	0.9
80.51151	0.9
85.02892	1.4
98.22715	0.9
107.99815	0.8
116.98562	0.9
136.06181	14.2
137.06657	4.5
145.02859	2.9
171.51599	0.8
177.05498	3.1
183.89938	1.0
185.04216	28.1
185.05896	1.8
220.12006	4.3
221.04187	14.5
221.07841	1.5
221.12263	10.5
233.90714	1.0
267.08633	2.8
276.18912	0.9
278.84613	0.8
383.09219	27.5
383.13132	100.0
383.17542	12.7
384.09229	1.9
384.13864	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	383.1596
Annotation	CHEBI:67508
Peak:m/z	Relative Intensity
53.76321	0.5
56.96555	2.0
67.05501	1.3
81.07045	1.1
91.05465	0.7
93.07053	0.8
94.61335	0.4
109.10175	0.7
119.50214	0.5
179.14211	0.9
207.09941	0.5
209.11411	0.5
237.10881	0.5
329.17471	0.5
344.39676	0.5
347.14362	1.4
347.18341	26.7
348.18622	1.6
354.68350	0.5
360.19141	1.2
365.16620	0.6
371.35529	0.5
378.20197	0.5
383.15924	100.0
384.16318	7.8
384.39651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.6
55.01873	9.3
55.05521	12.7
57.03444	5.0
57.06330	2.3
61.02919	4.7
62.22780	2.4
67.05504	16.3
68.99796	6.7
69.03432	53.1
69.07058	6.2
71.05005	6.0
73.02911	4.3
73.60530	2.8
77.03923	3.2
79.05511	18.7
81.03417	18.8
81.07057	36.2
82.10597	2.1
83.04979	12.1
85.02915	30.1
85.06560	3.2
87.00833	17.5
91.05493	30.7
93.07050	100.0
95.04959	24.2
95.08604	30.7
97.02888	20.4
97.06536	6.7
99.04457	6.0
103.03943	2.8
105.01874	6.1
105.04520	5.1
105.07037	62.2
107.04974	7.4
107.08596	88.1
108.08910	3.8
109.02882	7.3
109.06522	10.8
109.10158	9.4
111.04446	18.0
111.08051	3.1
113.47751	3.0
115.03917	4.9
115.05470	3.4
117.07011	11.3
117.20677	2.4
119.04971	3.2
119.06121	3.2
119.08589	28.1
121.06498	8.2
121.10159	23.2
123.04420	6.4
123.08053	8.5
123.11756	5.6
125.05988	4.7
127.03921	12.6
129.01854	3.2
129.06992	7.0
131.08577	22.1
133.06458	6.8
133.10129	29.3
135.08063	9.6
135.11691	42.0
137.06001	6.5
137.13269	3.1
141.06995	2.8
142.07805	4.9
143.08598	11.1
145.06473	3.3
145.10117	20.8
147.08080	6.7
147.11694	30.8
149.05991	3.4
149.09578	5.2
149.13252	7.8
151.11176	7.0
155.08519	5.4
157.10147	9.9
158.07246	2.8
159.08090	8.3
159.11702	17.2
161.05879	2.5
161.09590	8.5
161.13289	5.5
163.07547	3.7
163.11169	34.6
165.12791	23.7
169.10106	5.2
171.11671	6.7
173.09579	7.0
173.13354	4.8
175.11198	11.1
177.12769	16.7
179.10780	3.1
181.12347	2.7
183.11647	4.4
185.09639	6.5
187.11098	3.8
189.03963	4.9
189.12718	5.9
193.12257	9.7
197.13237	7.3
201.03978	5.7
201.09122	3.6
201.12761	6.3
203.10683	4.2
203.14305	4.1
205.12267	5.2
207.11842	2.8
207.13754	5.6
209.36855	2.6
213.12750	3.0
215.14314	15.6
217.12256	3.1
219.13817	7.3
222.57477	2.7
223.13412	3.8
225.12709	6.6
226.85550	2.9
233.15407	4.9
243.13850	40.9
246.19461	2.6
261.14865	60.6
262.15146	5.2
279.15921	10.6
295.15167	6.5
321.16806	4.3
347.14777	26.0
347.18304	3.2
353.10291	3.1
365.15796	25.6
365.19562	3.0
383.16205	25.3
383.20416	57.1
384.20782	5.1
404.00827	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	383.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
54.26720	0.9
55.01879	2.1
55.05508	2.7
57.03437	1.3
58.57138	0.8
61.02923	1.8
64.09486	0.9
67.05515	4.7
68.99799	1.9
69.03432	12.8
69.07055	2.1
70.63189	1.2
71.01342	1.3
71.04996	2.5
73.02921	1.2
74.76545	0.9
79.05502	7.9
81.03432	5.1
81.07051	11.8
83.04987	4.3
85.02902	11.6
87.00831	5.0
87.04492	0.9
91.05476	10.2
93.07046	28.9
94.07377	1.0
95.04401	1.2
95.04961	7.4
95.08591	9.1
97.02892	5.0
97.06575	1.5
99.04456	1.6
103.03963	1.2
105.01870	1.1
105.04557	1.4
105.07030	15.1
107.04938	2.7
107.08591	29.0
109.02875	2.3
109.06508	4.0
109.10140	2.0
111.04458	5.6
115.03938	1.8
117.07005	2.0
119.04923	1.3
119.08578	8.1
121.06506	3.3
121.10149	6.3
123.04463	1.5
123.08079	3.0
123.11739	1.2
125.02364	1.2
125.06052	0.9
127.03935	3.2
129.01849	2.0
129.07039	0.8
131.08560	5.1
133.06493	1.7
133.10123	8.7
135.04430	1.1
135.08028	2.6
135.11682	14.8
137.06026	1.6
142.07840	2.5
143.08580	3.2
145.06583	1.2
145.10133	7.0
147.08049	2.6
147.11687	7.5
149.06062	1.1
149.09625	1.7
149.13232	1.2
150.90651	0.8
151.07619	1.2
151.11200	1.8
153.12691	1.1
155.08585	1.7
157.10139	4.6
159.02921	1.4
159.08067	2.4
159.11726	4.1
161.09595	1.7
161.13251	1.1
163.11189	11.1
165.09111	1.2
165.12744	6.6
167.07014	1.1
169.10097	1.0
171.11766	2.0
173.09622	1.4
173.13237	1.7
175.11230	4.5
177.12794	2.5
183.11755	1.0
187.11183	1.9
189.04037	1.6
189.12767	3.0
193.12299	3.0
195.10001	1.1
197.13342	1.9
201.03954	1.4
201.12817	1.5
203.10605	1.0
205.12227	1.2
207.13852	1.9
211.09453	3.6
215.14354	2.7
219.13741	1.2
225.12772	1.6
231.13824	1.1
243.13823	10.8
255.06108	0.9
261.14880	15.5
262.93738	1.2
279.15897	2.8
295.15207	7.2
321.17084	1.7
347.14859	5.5
347.18414	3.2
363.83859	0.9
365.15814	7.0
365.19382	1.3
367.19119	0.9
383.20453	100.0
384.20752	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	383.2429
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
51.11731	1.8
53.03942	3.0
55.01870	6.1
55.05513	32.0
57.03440	7.0
57.07075	3.3
59.04998	4.5
62.89023	1.6
65.03948	2.7
67.05505	100.0
67.58154	1.7
69.03425	7.0
69.07070	19.1
71.05003	6.1
71.08631	2.2
79.05489	24.1
81.03427	6.2
81.07061	37.6
81.07508	1.4
82.94595	2.5
83.04980	30.8
83.08607	12.5
83.60834	1.7
85.02900	4.0
85.06565	4.1
91.05469	20.8
93.07048	19.3
95.04974	8.5
95.08604	15.4
97.02887	5.5
97.06532	4.2
97.10173	10.7
99.08109	2.5
105.07038	11.6
107.04947	5.5
107.08595	17.0
109.06547	3.6
109.10156	64.5
109.10894	3.5
110.10510	2.5
111.08096	6.5
114.09964	1.6
117.07036	8.2
119.08578	18.1
121.06546	3.5
121.10187	3.9
121.37865	1.8
123.08092	6.0
125.09628	11.5
129.06979	3.8
131.08577	9.6
132.31593	1.8
133.06523	3.1
133.10146	5.1
135.08073	5.7
135.11714	3.1
137.09641	8.3
143.08487	2.8
145.10124	6.5
147.08064	8.8
147.11682	3.7
149.09616	3.3
149.13240	2.0
153.09200	1.9
155.10675	4.2
157.10048	2.4
159.11688	3.0
161.09572	2.1
165.09178	2.7
165.12749	2.1
171.11751	2.5
173.11743	25.5
173.13242	2.5
174.12061	2.1
175.11182	3.7
177.12697	2.4
189.11244	7.6
193.12308	4.3
209.11732	2.3
223.13254	13.5
245.19006	2.6
273.18481	18.6
291.19531	81.4
292.19980	5.4
297.16730	2.1
347.21817	2.6
364.59760	2.0
365.23199	40.6
366.23364	2.5
383.24329	39.7
383.29257	3.1
384.24820	4.2
384.30887	7.7
384.40015	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2433
Annotation	Pleurogenin
Peak:m/z	Relative Intensity
53.03957	3.2
55.01879	13.5
55.05518	35.1
57.03440	13.3
57.07096	2.7
59.05000	3.5
63.13194	2.3
67.05507	91.6
68.47840	2.3
69.07069	23.8
69.46545	5.3
69.46933	5.2
71.04989	7.0
79.05498	49.2
81.03423	10.8
81.07061	72.7
83.04984	13.4
83.08637	16.6
85.02931	2.7
85.06548	5.0
91.04937	4.1
91.05484	55.0
93.07050	51.3
95.04981	17.7
95.08609	34.8
97.02892	4.6
97.06534	9.6
97.10165	11.0
103.86823	2.8
105.07036	43.0
107.04962	17.6
107.08601	35.7
108.08920	2.9
109.06505	8.0
109.10161	52.4
111.04436	6.0
111.08099	5.7
117.07024	13.5
119.08577	22.5
121.06484	13.4
121.10155	12.8
123.04453	3.9
123.08077	10.1
125.09618	10.4
129.07043	5.7
131.08554	19.1
132.61499	2.8
133.06508	14.1
133.10138	45.8
135.08090	14.7
135.11685	8.0
137.09595	5.2
143.08557	10.1
145.10164	12.6
147.08058	10.5
147.11697	11.0
149.09628	16.2
149.13268	2.4
151.11195	21.4
157.10095	4.8
159.08066	3.7
159.11720	4.5
161.09616	10.7
161.13269	5.3
163.11169	5.8
165.09109	3.1
169.12224	3.1
171.11665	4.4
173.11702	8.0
173.13182	3.5
175.11197	7.2
177.09128	9.4
178.64664	2.3
185.13377	4.1
189.12807	5.1
193.12292	2.8
197.09460	2.5
215.12796	4.9
223.13287	10.6
227.12776	3.0
245.19034	12.9
253.14400	12.7
255.17485	6.8
263.20065	7.6
269.13791	8.0
271.15381	6.9
273.18494	37.2
274.18997	2.5
291.16199	5.5
291.19540	100.0
292.19873	6.7
309.20618	3.7
347.22174	5.3
365.23245	82.0
366.23572	6.9
383.24365	21.4
384.30896	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91211	1.5
53.03949	6.1
53.81340	1.4
55.01873	19.7
55.05509	28.2
57.03437	37.5
57.07066	2.9
65.03923	2.2
67.05505	68.4
68.05852	1.9
69.03436	4.9
69.07069	27.5
69.97453	3.9
70.06616	2.5
71.04987	12.9
71.08652	1.9
73.02941	1.5
73.28029	1.5
75.04488	2.2
77.03932	2.0
79.05492	61.2
80.05800	1.8
81.03425	16.1
81.07056	100.0
82.07378	2.3
83.04982	14.5
83.08612	17.2
85.02921	2.3
85.06541	8.4
89.06010	2.0
91.05478	46.2
93.06445	2.9
93.07043	58.4
94.07392	2.1
95.04966	29.8
95.05531	2.7
95.08610	40.7
97.06528	35.9
97.07120	3.3
97.10157	13.5
99.08081	10.5
100.11260	1.9
103.98930	1.7
104.77207	1.8
105.04543	3.1
105.07017	37.4
107.04952	14.7
107.08593	31.9
109.06519	54.7
109.10159	17.0
111.04424	3.4
111.08099	6.1
113.06006	9.6
115.05492	3.1
115.07615	4.7
117.07014	15.6
117.22855	1.9
119.08588	21.4
121.06525	9.2
121.10141	19.7
123.04414	2.9
123.08074	21.7
123.11703	3.8
125.06041	2.6
125.09645	13.1
127.07560	5.5
128.06175	2.3
129.07024	7.7
130.07784	1.8
131.07066	3.6
131.08559	19.2
133.06485	4.5
133.10124	18.8
135.08044	15.6
135.11652	9.9
137.06015	2.3
137.09593	8.5
139.07538	3.9
139.11172	4.4
141.07013	3.1
143.08560	7.9
145.06476	2.0
145.10158	12.6
147.08092	8.5
147.11679	13.0
149.09636	10.5
149.13261	9.3
151.07486	1.8
151.11157	2.3
153.09128	3.2
157.10146	8.8
159.08092	4.5
159.11702	10.2
159.70053	1.7
160.12007	1.8
161.09612	10.6
161.13367	3.3
163.11180	11.9
165.09113	4.1
165.12755	11.3
167.10663	2.8
169.10190	3.2
171.11693	4.7
173.09578	2.7
173.11850	2.9
173.13290	4.7
175.11200	7.1
177.12749	9.2
181.10172	2.5
185.11697	2.8
185.13219	4.1
187.11192	3.3
189.11238	11.0
189.12811	3.9
191.14325	3.8
193.12285	8.5
193.99918	1.9
195.13820	4.9
199.11090	2.3
199.14828	3.4
201.12674	3.2
203.12720	2.2
207.13661	2.1
217.15898	6.9
219.13817	4.6
221.15292	4.2
227.12729	3.7
227.17950	2.0
229.14337	3.3
235.17000	5.9
239.16446	2.0
241.14391	2.9
245.04778	3.1
245.13902	2.3
245.19038	5.6
255.17488	6.6
263.20145	5.9
269.17368	9.0
273.18475	50.6
274.18784	3.2
286.70270	1.9
291.19537	72.3
292.19913	6.0
307.19101	5.4
309.20602	4.7
325.20078	4.1
347.22104	8.9
365.23242	56.3
366.23633	3.1
375.92667	1.8
383.20514	1.9
383.24319	24.3
384.24496	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	5.0
55.05510	6.2
57.03443	2.3
57.07063	0.9
58.83111	0.9
59.05006	1.5
66.41302	0.9
67.05508	15.1
69.07072	5.3
71.08630	1.1
71.46564	1.2
79.05496	5.5
81.07060	26.7
82.07407	1.2
83.05001	2.1
83.08630	2.4
84.33839	0.9
85.06585	1.5
91.05481	4.3
93.07034	7.5
95.04965	1.5
95.08614	8.4
97.06564	2.2
100.41115	0.9
105.07036	3.8
107.08598	5.4
109.06515	12.9
109.07101	1.1
109.10159	10.6
111.04451	17.1
111.08120	1.5
116.98660	1.2
117.07043	1.0
119.08601	6.0
121.10126	3.9
123.08102	2.5
123.11720	2.2
125.06015	6.3
125.09724	0.8
131.08589	2.2
133.10110	4.7
135.08067	3.5
135.11717	3.8
137.05984	100.0
137.09608	1.6
137.13275	1.6
138.06335	3.5
139.07567	1.2
145.10124	1.4
147.08110	1.8
147.11703	6.7
149.09637	5.1
149.13290	1.2
151.07556	3.2
151.11255	0.9
155.10645	1.3
157.10162	3.8
159.11717	1.7
161.09634	6.2
161.13269	2.2
163.11220	3.5
165.09076	1.8
171.11723	1.1
173.11755	2.5
175.11206	5.6
175.14812	1.0
177.12842	1.0
179.10712	2.8
181.12175	1.0
184.99980	0.8
189.12808	2.0
193.12143	1.8
203.17975	6.2
205.19724	1.1
205.38150	1.0
213.16411	3.2
221.18961	1.9
231.17467	7.7
232.17844	1.3
241.15955	1.7
249.18484	9.1
277.17987	77.6
278.18201	5.1
283.16986	0.9
295.19052	11.8
296.19553	1.5
351.21652	6.0
383.16592	1.1
383.24362	18.1
384.25397	1.6
384.30838	9.0
400.68793	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.3
55.01880	19.8
55.05515	58.2
57.03436	20.0
59.04984	3.2
67.05159	4.6
67.05507	65.4
69.03431	9.4
69.07068	37.9
69.33722	5.4
69.34108	5.2
71.05013	4.7
79.05498	57.1
81.03422	14.4
81.07058	100.0
83.04977	27.2
83.08620	31.3
85.02927	9.3
85.06521	3.6
91.05482	28.9
93.07045	42.0
95.04975	24.8
95.08616	32.6
97.06525	14.0
97.10172	45.2
99.04515	5.6
100.11302	2.4
102.59148	2.4
103.02725	2.5
105.03419	4.3
105.07030	24.8
107.04973	10.0
107.08600	29.6
109.06557	11.0
109.10165	20.7
111.04437	24.2
111.08098	13.4
113.59036	2.6
113.68929	2.1
114.30574	2.6
116.79917	2.3
117.07035	11.1
119.08588	23.8
121.06512	7.6
121.10146	17.1
123.04324	2.9
123.08075	57.0
123.11731	2.5
125.09634	45.3
129.07013	6.1
131.08551	13.4
131.71625	2.3
133.10152	8.1
135.08043	9.0
135.11662	14.5
137.09625	9.1
137.36244	2.6
142.17751	2.4
143.08607	5.0
143.10666	3.2
145.10126	16.7
147.08054	9.5
147.11728	6.7
149.09622	10.6
153.09113	4.9
153.12779	12.6
157.10123	6.2
159.11642	4.2
161.09570	4.9
163.11195	26.3
165.09016	12.2
165.12776	2.8
171.10255	2.6
171.11691	3.7
173.09607	3.2
175.11137	4.2
177.12773	4.4
181.12213	14.3
189.11227	57.0
191.10619	12.1
193.12271	9.8
209.11729	3.0
211.13290	3.5
223.13287	5.4
227.12753	19.3
227.17914	3.1
245.13753	4.2
245.19136	3.2
263.20096	3.2
273.18500	26.4
291.19565	78.6
292.19955	3.8
309.20654	5.7
347.22311	4.6
365.23288	18.5
383.16135	5.2
383.19788	9.6
383.24237	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.1
67.05161	1.5
67.05511	24.2
69.04556	0.9
69.07076	9.9
69.22504	1.7
69.22911	3.5
71.04996	5.2
79.05488	3.7
81.07066	6.7
85.06538	3.2
87.37543	0.9
88.07632	1.2
91.05469	2.7
93.07038	3.7
95.05002	5.4
95.08598	3.4
97.06559	1.2
105.03767	2.1
105.07036	8.0
107.08591	4.7
109.06518	1.6
109.10161	100.0
110.10485	2.3
115.94900	0.9
117.06975	1.0
119.08592	2.8
121.10149	3.7
127.11197	12.1
129.06956	1.4
131.08615	2.2
133.10106	1.9
135.08044	3.3
137.09628	1.4
142.07779	2.1
143.08566	2.3
145.10136	3.2
147.08005	1.3
147.11633	1.6
149.09639	1.1
156.09297	1.2
157.10106	6.4
159.11639	1.5
161.09618	2.0
169.10146	1.4
173.09561	1.6
173.13330	1.2
175.11130	1.7
183.11748	1.2
185.13284	1.8
194.10791	1.1
195.11687	3.1
209.13242	2.1
211.14717	1.2
213.12753	3.9
221.15370	2.6
227.14417	1.2
273.18365	3.0
320.29391	2.1
365.24805	1.4
383.20364	10.4
383.25711	6.2
384.25699	1.1
384.34586	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
51.02382	2.9
53.03943	4.4
55.01855	2.1
55.05509	16.4
57.03427	2.4
57.07074	8.3
59.04992	6.2
65.03923	2.5
65.12136	1.5
67.05504	29.6
69.03424	15.3
69.07079	9.5
69.67886	3.2
69.68276	3.1
71.04994	6.8
77.03909	3.0
79.05494	32.4
81.03416	1.6
81.07059	40.5
81.07504	3.5
83.05006	8.9
83.08622	5.0
85.06541	6.0
91.04936	3.3
91.05481	52.2
92.54520	1.7
93.07047	99.1
94.07355	2.4
95.04970	34.7
95.08607	36.1
97.06523	13.7
103.05457	5.0
105.04501	4.9
105.07032	87.7
105.80448	1.7
106.07327	1.6
107.04943	3.3
107.08596	42.7
107.09333	2.0
108.05732	1.8
108.08949	1.6
109.06519	23.4
109.10166	19.5
111.08078	9.2
115.05454	4.3
117.07023	13.6
119.05011	2.1
119.08580	58.5
121.06511	15.5
121.10146	46.3
121.10987	3.3
123.08070	31.2
123.11693	1.9
125.05994	3.4
125.09634	2.5
128.06216	10.5
129.07007	11.7
130.07733	3.2
131.08566	29.2
133.06491	9.9
133.07430	2.0
133.10133	32.9
135.08078	27.2
135.11690	4.5
137.05969	3.6
137.09631	11.6
139.11160	2.7
141.06960	7.8
142.07793	24.6
143.08562	31.0
144.09320	5.1
145.06465	2.3
145.10120	41.7
146.07263	2.4
147.08057	28.4
147.11671	18.6
148.08730	3.3
149.09622	21.9
151.07542	37.9
153.09122	4.5
155.08562	11.4
156.09323	10.1
157.10132	45.4
158.10832	2.5
159.08069	9.6
159.11671	17.9
160.08833	4.2
161.09630	23.1
161.13194	8.8
162.10214	1.5
163.07451	2.0
163.11180	8.0
165.07014	2.9
165.09123	34.1
169.10060	10.5
170.10927	4.8
171.08051	1.9
171.11644	9.6
172.08875	2.1
173.09586	10.6
173.13232	8.4
175.11212	23.8
175.14818	11.9
177.09077	8.7
177.12686	3.3
178.09792	2.0
179.08394	1.9
181.10042	2.8
181.12314	2.8
182.10866	2.8
183.11673	6.1
185.09665	4.5
185.13260	24.2
187.11198	8.8
187.14839	4.6
188.11922	2.2
189.12689	10.8
191.10661	2.0
191.14351	3.7
193.10214	2.6
195.11641	4.6
197.13324	9.7
199.11211	3.8
199.14784	3.6
201.12732	7.4
203.10530	1.8
203.12508	3.3
203.14294	31.3
207.11888	3.5
207.13814	11.7
208.12393	2.0
209.13254	6.2
209.15343	8.1
211.11183	4.2
211.14848	3.9
213.12668	3.8
213.16298	2.4
214.13522	1.9
215.10802	2.0
215.14317	9.7
216.15050	2.1
217.12198	2.5
219.13829	4.6
221.13507	3.0
221.15356	90.0
222.15694	4.9
225.12735	2.1
225.16351	2.4
227.14342	7.0
231.13863	2.6
233.15401	7.2
234.16138	10.5
235.14795	2.0
235.16878	1.8
237.14777	3.8
239.17790	1.8
241.15816	3.3
243.13783	3.6
247.16904	2.3
263.18115	2.7
265.15897	2.3
269.18863	2.5
281.19095	2.1
285.18628	1.7
286.19183	7.1
287.20010	8.6
299.20142	5.1
303.19595	8.4
309.18478	3.0
313.21567	2.3
325.21609	2.5
327.19534	2.3
347.23709	4.3
365.24686	16.8
383.11221	6.1
383.20624	5.2
383.25766	100.0
384.11218	2.3
384.26102	12.4
401.13788	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86237	3.6
55.05515	15.4
57.07077	22.5
59.05000	8.2
67.05503	34.0
69.03442	17.4
69.07063	8.0
71.04993	5.9
79.05503	24.8
81.07055	29.6
83.04972	3.8
85.06527	7.7
87.04456	4.9
87.08628	3.3
89.06020	15.3
91.05473	38.1
93.07045	85.6
95.04966	28.5
95.08614	32.5
96.99054	3.9
97.06519	8.7
98.23449	11.2
105.04491	4.5
105.07027	67.4
107.08599	30.3
109.06531	27.8
109.10170	22.2
111.08069	12.6
117.07005	12.9
119.04910	3.5
119.08586	45.9
121.06517	22.6
121.09522	3.0
121.10156	33.5
123.08080	29.2
128.06227	7.2
129.06996	8.8
131.08559	19.4
133.06490	8.9
133.08606	5.7
133.10124	22.6
135.08061	16.6
135.11720	6.5
137.09627	11.7
141.06944	4.2
142.07750	13.2
143.08562	18.9
144.09329	4.0
145.06464	4.5
145.10088	25.9
147.08061	22.7
147.11716	7.8
149.09639	14.8
151.07568	31.2
153.09099	3.9
155.08571	3.8
156.09349	6.0
157.10161	31.2
159.08038	7.8
159.11713	13.1
160.08829	3.2
161.09595	17.8
161.13246	4.6
163.11195	4.7
165.09108	45.7
169.10141	7.4
169.41183	3.3
171.11673	8.4
173.09625	12.4
173.13293	9.0
175.11194	11.4
175.14891	5.2
177.09090	5.5
178.09947	3.8
179.08543	4.5
183.11700	3.8
185.13251	18.5
187.11256	6.1
189.12712	5.3
191.14418	4.9
195.11700	4.1
197.13303	4.3
201.12682	6.1
203.14351	26.1
207.11823	5.5
207.13821	11.3
209.15402	8.2
211.11258	6.3
213.12784	5.9
215.14336	4.6
219.13858	5.1
221.13214	5.5
221.15369	100.0
227.14230	4.0
231.13904	4.2
233.15234	4.8
234.16100	7.5
243.13940	5.8
271.15268	14.1
274.97510	3.8
286.19217	9.0
287.20081	7.9
299.20209	3.9
303.19586	10.1
365.24664	11.6
383.25830	77.2
384.26102	11.9
384.38593	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	383.2582
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
50.89023	1.5
53.03938	4.5
55.01879	4.0
55.05515	16.5
57.07075	11.5
59.04990	7.3
67.05500	30.6
69.03436	16.1
69.07074	8.6
69.48144	1.7
71.05004	8.9
72.95438	1.7
77.03901	2.1
79.05491	30.5
79.15562	1.9
80.39499	1.6
81.07059	34.4
83.04985	7.8
83.08615	7.1
85.06536	7.3
91.05479	47.6
93.07043	100.0
94.07343	2.9
95.04405	3.3
95.04970	32.2
95.08602	36.5
97.06530	18.0
103.05461	2.9
105.04526	4.6
105.07029	82.6
106.07371	2.6
107.04987	3.0
107.08591	47.0
109.06522	25.5
109.10155	16.6
111.08083	8.0
112.91734	1.6
115.05450	2.9
116.06228	1.9
117.06998	11.3
119.04912	2.1
119.08578	60.0
120.09457	2.3
121.06511	16.5
121.10141	44.0
121.11493	2.5
122.10488	2.5
123.08064	29.7
125.09585	2.6
128.06224	5.2
129.07008	14.4
130.07800	7.2
131.08557	26.6
133.06474	7.1
133.07468	2.5
133.10139	28.4
135.08060	21.8
135.11708	4.4
137.05977	3.5
137.09641	11.7
139.11241	1.9
141.06985	6.5
142.07784	24.1
143.08569	24.6
144.09290	5.7
145.06465	2.5
145.10120	41.1
146.07262	3.8
147.08041	23.7
147.11685	14.4
148.08759	3.1
149.09604	19.9
149.13376	2.2
151.07529	29.4
154.07904	2.1
155.08536	9.0
155.10632	2.7
156.09343	8.0
157.10124	41.6
158.07230	2.0
158.10750	2.9
159.08020	8.9
159.11682	15.9
160.08868	4.5
161.09607	22.4
161.13278	7.1
163.11220	6.8
165.07048	2.0
165.09125	28.9
167.08511	4.7
169.10112	7.5
170.10873	5.6
171.11725	9.0
173.09598	9.3
173.13252	6.6
174.10352	2.2
175.11189	23.9
175.14822	6.7
177.09074	9.3
178.09866	2.6
181.10097	4.7
181.12230	3.6
182.10875	4.5
183.11685	5.0
185.09627	4.1
185.13263	15.9
187.11177	6.0
187.14780	6.3
189.12712	11.7
191.14359	5.5
192.09268	1.9
194.10843	2.7
195.11729	4.8
196.12387	2.9
197.13223	7.1
199.11028	2.8
199.14844	3.8
201.12741	6.0
203.14299	23.7
207.11882	3.4
207.13829	9.3
208.12401	3.5
209.13339	2.5
209.15356	7.0
211.11205	3.4
211.14793	4.0
213.12778	5.3
215.14325	13.9
217.12347	3.3
219.13754	4.4
221.13309	3.3
221.15337	68.3
222.15575	4.3
225.12740	3.7
225.16379	2.1
227.14313	7.8
229.12238	2.2
231.13799	2.3
233.13263	2.3
233.15388	5.4
234.16156	10.5
243.13872	3.5
247.17021	2.5
281.19098	3.7
286.19244	6.2
287.20047	10.3
299.20062	4.5
303.19553	8.7
309.18393	4.7
337.50095	2.3
365.24731	11.2
366.24829	2.6
383.17975	5.9
383.25793	81.2
384.26282	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
55.05516	13.7
56.00395	2.9
57.07078	11.2
59.05008	7.1
65.03940	3.2
67.05508	48.6
68.57545	2.8
69.03429	15.4
69.07076	9.9
69.76299	9.2
71.05001	13.6
79.05494	25.6
81.07066	33.2
83.04996	5.9
85.06540	7.2
91.05486	35.3
93.07054	87.1
95.04983	24.1
95.08604	39.3
97.06551	15.4
105.07024	72.6
107.04970	4.2
107.08600	42.6
107.41902	3.8
109.06532	29.5
109.10162	51.4
111.08051	8.0
117.07049	12.3
119.08585	41.6
120.09385	3.7
121.06512	14.6
121.10149	39.0
121.10970	3.5
123.08048	23.3
124.15027	3.3
127.11197	3.3
128.06216	7.6
128.81114	3.0
129.07016	11.9
131.08572	28.6
133.06503	7.9
133.10136	28.0
135.08032	22.2
135.11707	5.2
137.09648	8.7
142.07816	13.6
143.08569	21.9
144.09328	3.8
145.10132	34.2
147.08070	28.4
147.11703	14.9
149.09592	21.3
151.07550	36.1
153.09100	6.0
155.08574	6.6
156.09424	6.8
157.10121	42.2
159.08093	9.3
159.11752	12.1
161.09644	15.2
161.13322	8.5
163.07745	2.9
163.11201	10.4
165.09142	34.5
169.10107	5.0
170.10954	5.8
171.11679	6.0
173.09657	9.5
173.13272	10.0
175.11206	23.9
175.14851	9.9
177.09103	9.6
183.11760	7.7
185.13284	17.9
187.11176	7.0
187.14864	3.8
189.12767	11.1
195.11693	7.1
197.13275	7.5
199.11189	4.6
203.14337	30.4
207.13890	10.1
209.15405	6.1
213.12837	4.0
215.14467	3.3
219.13889	3.6
221.13310	4.7
221.15359	93.9
221.17439	6.3
222.15819	6.4
225.12868	4.1
227.14395	6.2
234.16234	7.7
237.14931	4.5
258.43411	3.7
271.16983	4.0
286.19168	4.0
287.20135	9.1
299.20215	6.7
303.19574	9.5
318.94379	3.1
365.24774	14.0
383.20410	64.6
383.25809	100.0
384.20819	9.9
384.26199	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
53.76844	0.4
55.01837	1.2
56.98921	0.4
57.03447	1.9
59.55875	0.3
69.03411	0.8
70.06566	0.7
71.01332	0.7
73.02895	0.9
84.73080	0.3
85.02913	1.7
88.02194	0.6
94.04044	0.6
96.61679	0.4
97.02856	1.1
110.07152	0.6
115.03863	0.5
115.58033	0.3
118.04049	0.3
119.03548	0.5
121.05091	1.2
122.01493	0.3
122.38503	0.4
133.04877	0.6
134.02684	1.0
135.06615	1.2
136.06194	28.6
137.04543	0.9
137.06540	0.4
148.06189	5.9
155.05652	0.8
160.06198	0.7
161.05934	0.5
162.07755	33.0
163.03949	0.4
163.08023	1.0
188.05673	11.3
192.05170	16.9
193.05540	0.5
206.06761	6.5
216.05087	0.6
234.06224	10.9
235.06444	0.5
252.07286	100.0
253.07616	4.1
384.11523	28.4
385.11890	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.2
55.01876	8.5
56.42208	0.9
57.03438	6.2
57.07081	2.5
61.02940	7.7
61.49028	0.9
67.26741	0.9
68.99801	2.5
69.03432	35.4
70.37228	2.1
71.05009	5.4
73.02925	8.2
81.03425	25.2
85.02908	100.0
86.03230	1.8
87.00833	48.7
87.04469	2.1
91.03953	2.5
91.04488	1.1
97.02898	35.8
97.46055	0.9
98.23327	1.2
99.04463	16.4
101.09653	1.2
103.03934	1.5
104.77373	1.0
105.01871	81.9
109.02885	34.6
109.03648	1.4
115.03967	1.8
117.01852	3.1
119.10693	6.0
127.03918	80.0
128.04251	2.0
129.01845	2.5
145.04961	38.6
147.02937	2.2
153.05489	3.6
159.02885	19.0
177.03987	1.2
181.05034	0.9
189.03958	3.5
206.80356	1.1
213.03955	7.0
231.04994	22.6
249.06050	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	384.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.6
56.96556	0.9
57.03437	1.1
57.07080	3.5
60.08171	6.2
67.05511	0.6
69.07027	0.5
70.01179	1.4
71.04979	0.6
71.07375	2.1
72.56705	0.6
78.50532	0.5
83.66094	0.6
86.09712	29.3
87.09991	0.7
98.98463	1.6
100.11260	0.8
104.10754	2.6
107.94068	0.5
109.10168	1.2
110.06854	0.7
111.70817	0.5
114.02214	0.6
125.00008	17.7
141.81807	0.6
184.07350	100.0
185.07681	1.5
201.14897	1.6
211.06578	0.7
229.07507	3.5
230.07840	3.2
247.08548	2.1
248.08897	1.9
259.32266	0.7
262.85962	0.6
366.20288	1.3
384.16928	3.1
384.22052	2.9
385.02109	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.4
55.05259	2.1
55.05510	31.5
57.07042	0.9
67.05508	1.8
69.07069	1.1
69.73451	2.2
69.73813	1.9
70.06574	1.0
70.85915	1.0
71.04989	18.9
79.05477	8.7
81.07057	45.5
81.57304	0.9
83.04977	15.6
85.02898	4.2
89.06062	1.3
93.07075	1.1
95.04980	1.5
95.08609	1.0
97.06529	7.8
98.22754	1.6
98.68436	1.1
105.07020	1.5
107.08604	8.2
109.10146	8.3
123.11708	8.9
127.11198	6.6
131.07043	1.5
133.10086	1.3
136.06227	4.8
151.11162	11.3
169.12239	100.0
170.12610	4.3
229.39137	0.9
252.10994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.223
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65216	4.1
55.01870	4.6
55.05507	15.6
57.03434	10.1
59.04996	6.5
59.98151	3.9
61.02913	5.8
69.03435	8.6
69.07068	59.1
71.04982	5.0
78.44857	3.6
79.05507	6.7
81.03415	9.1
81.07041	11.2
82.90532	3.7
83.08625	7.7
85.02904	29.3
87.00846	5.0
87.04469	49.6
91.64587	4.4
95.10627	4.2
97.02900	9.5
97.06532	9.7
97.10171	24.5
98.97578	7.7
99.04470	5.0
99.79832	4.0
101.05985	3.9
101.28568	4.1
103.57080	4.7
105.01864	10.8
105.07060	9.2
107.08594	11.4
109.02832	5.2
115.05476	5.9
123.11720	6.2
125.09628	24.1
127.03915	11.6
127.11182	19.6
137.06033	4.8
139.46237	4.5
143.10672	65.3
145.04950	11.4
145.06372	4.2
147.04439	11.6
151.11200	6.0
153.12737	10.2
161.06001	8.9
167.07027	18.9
169.12248	100.0
187.13274	37.4
193.08556	9.0
205.12260	5.4
209.08052	6.5
239.09079	5.0
240.02487	5.1
241.54482	4.4
255.08531	5.7
321.09738	15.2
339.10541	6.8
349.09152	9.0
352.12662	5.1
357.11865	9.9
384.06833	6.8
384.17520	9.7
385.14734	57.2
401.92078	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	385.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	0.8
53.03951	0.7
55.01873	3.1
59.84494	0.7
60.95987	0.5
61.02925	1.5
62.78340	0.6
67.05503	0.9
69.03416	0.9
69.90772	1.5
69.91141	1.2
78.04713	0.7
79.05492	5.6
83.01334	2.3
85.02898	2.5
87.00833	0.8
91.05489	3.1
95.01297	1.0
95.04973	5.2
97.02880	2.4
102.04779	0.6
103.05473	6.3
105.07035	57.8
106.04160	0.9
106.07367	3.1
107.04964	1.5
109.02861	1.2
111.04478	0.7
115.03925	1.0
115.05452	15.3
117.07014	3.3
118.04144	3.6
119.04967	1.1
121.06525	1.0
123.04456	6.4
124.05177	0.6
127.03923	1.3
128.06181	0.8
129.07001	1.3
130.04184	0.8
131.04933	3.7
132.05695	2.2
133.06496	56.0
134.02710	1.0
134.06813	1.9
136.06166	1.9
139.03911	1.4
140.04688	2.7
143.04994	1.4
143.06047	6.2
144.05701	1.3
145.06465	5.7
147.04420	2.0
147.07941	0.9
151.03888	1.4
155.04942	0.8
155.06018	1.2
155.07045	4.5
157.05074	1.0
157.06453	2.2
159.04393	1.3
159.07983	0.8
160.05205	2.0
161.05981	100.0
162.06396	4.0
162.07603	0.7
163.07555	1.1
167.07040	27.1
168.07416	1.4
169.05005	0.8
171.04326	0.9
172.05215	1.2
173.05992	4.5
175.03938	3.0
175.06006	2.0
175.07587	2.9
177.05414	0.6
178.06235	0.7
179.06970	1.1
181.05011	1.9
183.06508	4.3
185.05995	1.4
187.07565	1.1
189.05519	3.3
190.02602	1.2
190.06241	2.6
191.07016	2.5
192.07808	2.2
193.08604	69.4
194.08998	2.3
200.04720	1.1
201.05435	4.3
203.07042	2.5
204.04117	1.0
205.08626	6.7
206.05759	1.3
206.09404	0.8
207.06540	8.4
213.05516	1.2
215.06995	1.1
217.05025	1.0
217.08528	0.9
218.05713	1.4
219.06534	6.0
220.07222	1.6
221.08025	1.9
223.09712	0.9
227.07182	0.8
229.05031	3.0
230.05441	0.7
231.06525	4.4
233.04459	5.7
233.08009	5.2
234.08841	1.8
235.09685	1.7
236.03033	1.2
243.06467	1.4
245.08118	2.0
246.05081	1.1
247.06017	2.6
247.09630	1.3
249.07541	2.7
251.05406	1.1
251.09142	25.2
252.07210	1.4
253.07518	2.4
257.04388	1.1
257.08167	1.0
259.06015	1.8
259.09848	0.9
260.06635	1.4
261.07611	10.5
263.09219	4.1
273.07590	1.7
275.09155	3.5
277.07138	2.0
278.97592	0.7
279.08646	2.5
287.09091	0.8
289.07037	2.7
291.08810	0.9
293.10184	3.8
301.07025	1.4
305.10138	2.1
307.08044	7.3
319.08090	1.4
321.09592	1.3
349.09235	0.9
367.10202	2.3
386.19751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	10.1
81.03432	5.2
85.02909	31.9
86.09703	5.4
97.02887	8.3
105.07072	9.2
109.06480	5.6
113.15308	5.2
119.04892	5.9
121.10116	8.3
123.08044	12.4
127.03974	5.5
130.51079	5.8
135.08066	6.3
137.05962	15.4
137.09610	11.7
138.74738	5.7
143.08598	6.8
145.04990	7.3
145.10120	6.8
163.11137	11.2
165.09097	7.0
167.07022	9.2
179.10692	7.9
201.01450	5.8
201.05495	16.0
205.12231	21.8
223.09708	6.2
223.13313	100.0
223.15443	7.4
241.77351	6.4
246.72917	5.7
335.09045	8.7
367.11935	7.1
385.12531	83.6
385.18201	68.0
386.12863	9.4
386.19504	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	385.126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08112	2.0
55.01883	2.1
57.40642	1.8
64.09610	2.0
65.91902	2.0
69.03410	3.8
69.82996	8.2
73.98378	2.0
76.07101	2.3
85.02898	2.5
109.06496	2.5
121.06513	4.8
137.09586	8.0
163.11261	2.5
167.07034	6.9
177.05501	2.4
201.05452	7.5
205.12277	5.6
213.05508	3.3
223.13264	32.7
279.26855	2.3
335.09103	4.6
385.12531	100.0
385.18146	58.6
385.22891	4.5
386.12988	8.7
386.18860	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	385.147
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
54.22944	0.3
54.25475	0.3
70.06586	0.9
72.08141	0.6
81.20193	0.2
81.77797	0.3
85.02892	0.4
94.55056	0.3
106.40975	0.3
134.02718	0.9
136.06183	2.5
145.02875	0.3
148.20660	0.3
169.12122	0.3
219.33990	0.3
223.09462	1.2
271.11624	0.5
325.09781	0.4
385.14667	100.0
386.15073	6.6
386.19897	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.147
Annotation	Asp Asn His
Peak:m/z	Relative Intensity
54.97393	1.4
79.57459	1.5
81.07067	3.0
91.05473	1.6
93.07049	1.9
98.53676	1.5
221.05013	2.7
223.13049	6.1
299.14133	1.7
341.15674	18.6
342.16476	1.7
385.14639	100.0
386.14948	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	385.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98834	0.6
57.06611	0.6
70.04985	1.8
73.98246	0.6
74.02325	0.6
81.07063	1.2
84.79745	0.7
98.22760	0.9
119.08614	0.6
121.06479	1.0
127.01751	0.6
149.05998	0.7
149.79074	0.8
163.11201	1.4
185.04210	2.6
201.05467	0.8
203.05289	2.8
205.12149	1.5
223.09419	91.8
223.13049	4.3
224.09756	3.7
246.16501	0.7
258.10287	0.7
385.14462	48.4
385.18359	100.0
386.14856	2.6
386.19153	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	385.1647
Annotation	Sigmoidin J
Peak:m/z	Relative Intensity
62.27465	1.4
69.03437	1.5
69.32351	5.7
70.02954	1.3
70.06579	2.7
78.04708	2.6
79.05498	9.3
81.07017	1.7
84.08088	1.7
86.09702	2.6
91.05470	5.8
93.07041	5.6
95.04966	5.4
95.08640	1.7
96.42462	1.5
97.02871	1.4
103.05479	2.4
105.07040	8.8
107.04955	16.8
115.05447	2.7
121.06522	13.9
121.91267	1.4
123.04393	6.9
124.05218	4.0
125.06036	2.1
128.06252	3.4
133.06462	7.2
137.05977	4.2
138.06796	1.7
145.06506	3.4
147.04387	1.7
149.05992	6.3
151.07573	1.5
152.04663	3.3
156.05679	8.2
157.06418	1.3
161.06007	9.4
166.06311	1.9
167.07040	100.0
168.07356	2.9
170.07202	2.6
171.08073	2.2
173.05983	5.2
177.05431	1.8
179.07036	3.7
180.07841	1.9
181.08606	36.0
182.08888	1.7
187.07516	3.9
189.05411	2.0
190.07878	1.5
193.08607	34.3
194.08969	2.1
199.07524	4.9
205.08577	6.3
205.12259	2.6
215.08528	3.2
216.07733	1.5
217.08646	14.6
218.07214	2.7
219.07901	1.8
223.09479	3.0
223.13225	3.9
229.15431	1.4
231.10121	14.2
232.08812	1.8
233.09578	6.3
235.07530	3.1
245.13570	1.7
247.07411	1.5
248.08095	1.5
250.09680	1.4
259.07388	1.6
260.08160	1.3
261.09045	4.9
263.10284	1.4
275.06720	1.7
278.09433	3.5
279.10202	1.4
289.08618	2.7
293.11624	4.6
293.19510	2.0
307.09341	1.5
310.11887	3.1
321.11191	6.2
325.14227	6.5
338.11063	1.9
353.10400	1.8
353.13889	14.7
354.14322	2.8
385.11887	3.0
385.16635	27.6
386.16519	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1846
Annotation	His Thr Gln
Peak:m/z	Relative Intensity
54.80844	0.4
55.05510	0.6
55.86594	0.4
62.06055	0.6
69.03424	1.2
69.07080	0.5
79.05534	0.6
81.07047	0.9
85.02900	1.2
87.04472	2.9
88.70256	0.4
91.05487	1.3
93.07041	1.1
95.08595	0.5
97.06531	0.7
105.07008	0.7
106.69209	0.5
107.05001	0.5
107.08577	0.9
109.06527	2.8
119.08588	0.8
121.06513	3.5
121.10140	1.1
137.05995	1.1
137.09613	9.1
143.89680	0.4
147.08081	0.8
149.05981	1.1
149.09711	0.8
163.11208	1.3
167.07019	1.3
177.12709	0.9
184.08714	0.5
201.05463	0.8
205.12212	1.7
221.97252	0.4
223.13266	13.9
224.13664	0.6
239.07077	0.9
335.08939	0.6
351.15820	0.9
353.10339	0.8
368.18744	2.2
385.18307	100.0
386.18747	8.2
386.23279	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1858
Annotation	Artesunate
Peak:m/z	Relative Intensity
55.87276	1.0
57.03431	1.9
61.02934	1.6
67.05505	1.6
69.03426	8.3
70.06600	1.3
71.05000	2.0
73.02890	1.6
79.05481	1.1
81.03397	1.7
81.07055	1.1
83.04971	1.5
85.02908	28.8
87.04453	2.4
91.05506	2.4
93.07059	4.9
95.04991	1.8
95.08601	2.6
97.02886	3.7
103.65305	0.9
105.07019	4.3
107.08569	5.5
109.10136	3.5
117.06985	1.1
119.08579	6.5
121.06509	3.0
121.10134	10.3
123.08044	1.8
133.10110	1.3
135.08017	1.0
137.05963	2.7
137.09605	12.5
145.10126	4.6
146.07416	1.0
147.08072	2.0
149.05977	6.3
161.09587	2.4
163.11179	16.1
165.09088	1.1
167.07079	3.0
172.50957	1.1
177.05411	1.4
177.12692	2.2
179.10672	5.5
187.11124	1.4
201.05461	1.6
205.12238	30.5
206.12666	2.7
223.13286	100.0
224.13643	4.9
236.16429	3.7
254.17479	2.8
298.92212	1.0
385.13882	1.9
385.18268	13.1
386.19202	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2563
Annotation	Pro Arg Leu
Peak:m/z	Relative Intensity
67.05501	0.3
69.14957	1.7
81.07029	0.5
91.05483	0.3
121.10188	0.3
123.11663	0.3
157.01433	0.3
159.11676	0.3
213.99101	0.2
222.49368	0.3
385.25589	100.0
386.25949	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
55.05512	10.7
55.68179	0.7
57.03442	4.1
57.07075	1.2
61.04395	0.7
61.35817	0.7
67.05513	18.6
68.81618	0.7
69.03436	1.8
69.07069	4.4
69.68056	2.1
71.04990	1.3
71.08636	14.4
73.69616	0.7
79.05493	9.2
79.91521	0.7
81.03421	1.0
81.07059	13.1
83.04971	2.1
83.08620	4.4
91.05476	6.4
92.71929	0.8
93.07051	7.8
94.32845	0.7
95.04968	3.3
95.08621	7.5
96.08954	1.1
97.06522	1.6
97.10168	6.1
99.08100	9.2
105.07026	5.9
107.04960	3.0
107.08571	5.8
108.05726	1.2
109.06524	2.5
109.10168	9.1
111.08099	0.8
117.07057	1.8
119.08557	2.2
121.06509	3.9
121.10157	3.0
125.09635	6.6
131.08592	1.6
133.10126	2.8
135.08080	2.2
135.11761	0.9
137.09615	1.2
139.11159	1.6
141.09035	0.7
145.10123	2.4
147.11746	1.5
149.09621	0.8
149.13252	1.3
151.11201	2.1
153.23413	0.8
159.11687	1.4
165.12758	4.0
171.10237	1.0
173.11736	2.1
173.13211	1.3
173.24731	0.7
177.12794	2.3
189.11208	4.7
195.13805	0.8
227.12875	1.8
229.14354	8.0
233.15184	1.0
245.13945	0.8
275.20065	9.6
293.21109	100.0
294.21457	8.1
367.24789	29.2
368.25101	1.9
382.49991	0.7
386.19476	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.5
55.05510	9.9
57.03448	1.6
57.07084	5.3
65.03934	1.2
65.05634	1.2
67.05507	23.3
69.03434	8.1
69.07061	7.9
70.09149	2.5
70.09496	1.9
71.05008	2.8
71.08637	13.1
79.05498	19.3
81.07065	22.5
83.04981	5.2
83.08631	3.5
83.55431	1.1
85.06541	3.9
91.05476	19.4
93.07048	29.7
95.04958	13.7
95.08605	16.7
96.05769	3.3
97.02898	16.4
97.06528	10.6
98.23430	1.4
99.08121	8.2
105.04530	1.5
105.07034	13.1
107.04980	1.3
107.08596	9.1
109.06522	15.2
109.10159	8.3
111.04453	15.6
111.08104	2.5
113.06039	5.0
119.08605	8.6
121.06522	14.3
121.10146	14.3
123.04431	7.9
123.08105	4.7
123.11694	1.8
124.05213	3.0
125.06001	4.3
129.07022	2.0
131.08589	15.0
133.06485	1.8
133.10196	3.1
135.08073	5.5
135.11719	1.6
137.06001	4.4
137.09645	5.4
139.11206	2.6
141.09052	1.5
145.10120	3.6
147.08049	3.9
147.11661	2.5
149.02315	2.2
149.09590	11.7
151.11177	1.5
157.10182	1.5
161.13257	3.6
163.11224	4.8
165.12775	17.1
167.10678	3.9
171.11717	2.4
179.10776	1.6
179.14330	3.0
181.12242	100.0
182.12581	3.9
185.13358	2.0
189.12743	3.5
191.12746	1.3
191.14331	3.5
193.05005	1.6
193.12170	1.5
207.13821	4.4
213.12790	1.7
221.15532	1.6
251.16585	1.7
253.14081	1.4
261.22189	1.7
263.16559	1.8
277.21664	3.6
287.20087	3.2
289.21695	10.7
290.22144	1.4
293.21127	1.3
305.21112	22.7
306.21524	2.6
333.24222	2.0
349.23706	1.5
351.25311	70.0
352.25659	5.4
358.96576	1.2
367.24820	1.9
403.89951	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.1
55.05522	22.8
57.03443	12.9
63.63653	2.7
66.01569	2.8
67.05509	46.9
68.39206	3.2
69.07080	15.3
71.08638	41.5
78.20609	3.6
79.05499	28.5
81.07062	35.0
83.08633	13.2
85.06547	3.0
91.05492	11.1
91.89710	2.8
93.07039	16.4
95.04980	7.8
95.08632	22.4
97.06589	3.3
97.10202	11.4
99.08106	41.9
105.07043	13.6
107.04955	4.0
107.08607	12.4
107.95692	3.0
109.06517	6.2
109.10168	25.8
118.08139	3.1
119.01929	3.7
119.08602	8.4
121.06517	9.1
121.10186	7.9
125.09621	7.2
131.08537	3.3
133.10211	5.1
135.08034	7.4
136.99631	3.1
139.11240	3.1
145.10019	3.8
147.11751	4.5
149.13297	4.9
151.11230	6.3
173.11778	7.9
173.13264	3.0
173.40735	2.9
177.12737	3.6
189.11133	6.3
195.13895	4.4
217.04572	3.1
229.14342	17.9
257.68472	3.4
259.20505	4.0
275.20084	12.5
293.21149	100.0
294.21585	6.2
298.48477	3.1
335.48425	3.6
337.27414	12.6
356.67654	3.5
364.58209	3.1
367.24875	32.7
385.25082	6.2
385.29694	3.6
386.19702	9.3
395.30475	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.1
55.05509	72.5
57.03444	28.3
67.05505	100.0
68.05840	6.4
69.03444	7.7
69.07060	38.2
71.05009	11.6
71.08635	36.4
71.45909	5.7
79.05495	36.7
81.03414	56.4
81.07056	56.5
83.04968	23.8
83.08618	42.5
85.02479	4.8
85.02900	27.1
91.05485	29.4
93.07040	39.4
94.45205	4.9
95.04964	30.8
95.08628	32.9
97.06565	8.9
97.10175	26.7
99.08099	34.0
105.07035	27.6
107.04957	6.9
107.08600	26.7
109.06554	8.9
109.10149	51.2
111.04449	12.1
111.08104	12.3
113.06014	6.3
117.07016	10.1
119.08588	23.0
121.06446	6.4
121.10157	20.7
123.08086	6.1
123.11754	4.7
125.09631	20.0
129.07007	7.9
131.08603	12.9
133.06583	5.5
133.10190	7.3
135.08058	7.7
135.11713	8.9
137.09644	6.9
139.11208	20.1
145.10123	8.3
147.08086	6.5
147.11688	12.7
149.02374	19.6
149.09674	11.3
151.11208	13.5
155.10718	4.7
157.10181	9.6
157.12289	8.8
159.11737	7.0
163.11214	12.8
173.11769	33.5
173.13142	7.1
175.11203	8.9
177.12886	9.0
179.01472	4.9
188.25601	4.2
189.11272	15.8
193.04971	13.7
193.12244	53.4
195.13828	9.5
205.22737	4.6
211.13240	42.1
223.13307	7.7
227.12808	4.7
229.14462	38.6
245.04771	18.5
247.20573	5.4
260.02597	4.4
267.06784	7.1
275.20068	35.3
276.20407	6.0
285.07944	8.6
285.17010	14.8
293.21085	93.7
294.21509	9.5
299.12256	11.2
310.78717	5.4
349.15366	9.8
349.19769	51.8
367.24762	26.3
385.09186	12.4
385.17300	6.5
385.25748	71.7
386.19650	17.7
386.26074	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01867	2.4
55.05512	11.5
57.03443	4.8
57.07059	1.3
67.05505	17.2
69.03428	3.0
69.07065	6.0
69.69588	3.1
71.08629	14.0
78.62665	0.9
79.05498	10.1
81.03414	3.4
81.07059	11.3
83.04968	1.9
83.08624	5.3
85.06523	1.5
91.02014	1.0
91.05483	7.1
93.07053	7.5
95.04940	5.7
95.08610	7.4
97.06543	1.2
97.10166	5.7
98.63055	0.9
99.08096	10.0
105.07024	4.1
107.04953	3.9
107.08598	6.0
108.05735	2.0
109.06494	2.0
109.10152	6.0
111.08068	1.3
116.04694	1.0
117.06994	2.1
119.08570	3.7
121.06519	7.1
121.10152	2.2
124.07310	0.9
125.09630	5.0
125.73769	0.9
129.05478	1.4
129.07072	0.9
131.08543	2.5
133.10143	1.8
135.08028	2.4
135.11691	0.9
135.35791	0.8
136.05174	1.3
137.09625	3.4
138.92535	0.9
139.11198	1.2
143.08621	1.0
145.06465	0.9
145.10121	1.1
149.02301	0.9
149.13251	1.8
150.06732	1.3
151.07521	8.2
151.11168	3.0
153.09138	1.5
159.11691	1.8
163.11188	1.9
165.09132	2.7
165.12798	1.5
166.06261	4.8
171.59412	1.0
173.11699	1.8
177.09163	2.2
177.12773	3.6
178.58354	0.8
181.08609	8.9
188.08446	0.9
189.09271	1.0
189.11220	5.6
193.12289	1.3
203.10538	0.9
215.89145	0.8
223.13110	1.0
227.12889	2.1
229.14340	4.1
275.20081	12.2
293.21106	100.0
294.21368	6.4
332.17432	1.6
337.27499	0.9
350.14569	1.0
350.18576	1.4
353.17447	1.2
354.17984	1.1
367.24823	27.4
368.25238	1.8
370.17648	2.8
385.20038	12.7
386.19788	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96244	2.1
55.01872	4.7
55.05513	13.6
57.07071	5.0
67.05513	23.6
69.03426	7.1
69.07062	11.1
71.05013	3.0
71.08640	14.1
71.08984	3.0
71.45792	2.3
74.62393	2.9
78.36382	2.5
79.05495	16.8
81.07053	25.8
83.04980	6.5
83.08636	5.3
85.02914	2.2
85.06545	3.2
91.05506	11.6
93.07048	31.5
93.18569	2.5
95.04975	10.5
95.08609	18.0
97.02904	12.4
97.06544	10.4
98.07320	2.8
99.08097	8.6
105.07042	14.8
107.04955	6.0
107.08618	7.5
109.06508	17.0
109.10172	8.9
111.04448	16.6
111.08096	2.8
113.06013	3.9
119.08601	7.8
121.06500	16.0
121.10183	11.1
123.04441	10.5
123.08071	7.4
123.11707	3.1
124.05196	2.7
124.38167	2.2
129.06975	3.4
131.08539	11.5
133.10150	7.9
135.08035	3.8
137.05946	4.0
137.09639	3.5
139.11205	4.0
145.10146	3.3
147.08160	3.8
147.11658	3.2
149.09602	12.6
151.11200	4.8
161.13260	2.7
163.11197	4.9
165.12790	15.4
167.10701	5.6
181.12236	100.0
189.12770	4.4
191.14351	3.6
263.16483	3.0
277.21674	3.4
289.21640	8.6
293.05112	2.5
293.21182	9.4
305.21115	22.2
306.21848	3.2
351.25308	66.6
352.25726	3.2
367.24792	4.8
374.00986	2.4
385.20078	11.0
385.23834	2.6
385.29077	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	385.2588
Annotation	Betaenone D
Peak:m/z	Relative Intensity
55.01871	17.8
55.05521	27.1
57.03436	19.1
57.07071	3.6
57.09998	2.4
65.03957	3.9
67.05509	69.7
68.77673	2.2
69.03426	5.8
69.06712	2.6
69.07059	14.4
71.05006	11.9
71.08636	79.6
79.05494	27.0
81.03425	8.8
81.07058	33.8
83.04980	18.8
83.08619	10.2
85.02913	5.9
85.06539	4.5
91.05485	23.3
93.07060	27.5
95.04965	19.8
95.08613	60.1
97.06554	9.7
97.10182	8.9
97.92377	2.3
99.08099	66.4
105.07027	7.8
107.04962	4.8
107.08589	10.4
109.06512	5.2
109.10163	47.0
111.08098	13.6
113.06003	5.0
117.07029	8.8
119.08572	19.1
121.06492	5.0
121.10160	10.8
123.08051	4.5
125.09626	7.8
127.11186	4.9
131.08572	8.6
133.10115	13.0
135.08069	4.5
135.11716	6.0
137.09641	18.4
139.11185	27.1
141.00713	2.8
145.10133	4.5
147.11644	4.0
149.09706	3.4
149.13290	4.8
151.11182	28.3
155.10652	28.5
159.11702	8.9
161.09639	9.2
163.11148	4.6
165.09061	2.5
165.12773	6.8
167.10641	4.1
167.14349	4.8
173.11786	18.6
173.13159	4.1
177.12747	22.2
179.10678	5.2
181.12222	2.4
191.14343	6.8
195.13770	24.0
197.95810	2.8
229.14217	2.6
247.20654	5.2
253.14450	4.5
257.19058	7.6
265.21503	3.0
275.20071	52.6
277.21487	2.7
293.21121	100.0
293.24435	5.2
294.21439	5.8
311.22058	13.3
349.19809	12.2
349.23541	4.8
367.24756	34.5
368.25198	4.1
385.17575	3.0
385.26001	39.9
386.19629	8.2
386.26111	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	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01618	4.9
55.01875	76.4
55.05256	4.5
55.05511	52.4
57.03444	17.1
57.07076	8.5
65.03951	4.8
67.05157	5.5
67.05506	88.2
69.07063	23.0
71.04996	5.8
71.46162	3.3
79.05496	38.3
80.68877	3.1
81.03416	12.8
81.07059	55.7
82.07345	3.0
83.04990	15.1
83.08618	10.2
85.06530	5.4
87.52751	3.2
91.05481	33.4
93.07053	33.4
95.04958	19.8
95.08607	27.5
97.06528	3.8
97.10178	17.4
99.08085	3.6
105.07040	20.1
107.04958	13.6
107.08577	19.1
109.06523	9.7
109.10168	56.5
111.08073	8.5
117.07040	4.8
119.08565	19.8
121.10118	11.2
123.08047	6.9
125.09636	100.0
126.09983	4.5
131.08559	12.6
133.10144	13.4
135.08072	4.5
135.11679	9.1
137.09621	16.4
139.11172	5.0
145.10117	7.9
147.11664	5.7
149.09604	4.3
151.11198	12.6
153.12624	3.1
155.10674	6.4
159.11716	5.9
163.11212	5.5
167.10645	4.9
173.11758	38.8
177.12762	12.4
181.12238	4.5
191.14287	3.7
199.13275	7.8
229.14351	64.1
243.15930	5.1
247.20605	7.6
257.19043	5.8
275.20081	26.9
276.20660	3.6
288.54019	3.5
293.21133	11.4
349.23727	8.5
351.25113	5.4
359.08682	4.0
367.24741	44.0
385.25641	11.4
386.19525	9.4
406.27579	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	386.0907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	3.1
53.69342	2.9
55.01871	31.4
58.99582	10.4
59.35421	3.1
61.02919	4.1
63.79296	4.0
65.03938	7.3
66.88364	3.1
67.01870	27.7
68.77971	3.5
68.99781	6.1
69.07063	3.4
72.11759	3.6
79.05500	29.8
87.00816	9.8
91.05495	11.3
93.07048	5.8
95.04979	14.6
97.01128	16.6
98.22694	6.1
101.00642	3.7
103.05473	22.9
105.01884	9.3
105.07021	26.0
109.01102	3.7
110.46499	3.2
115.05457	24.3
116.06245	7.7
119.04976	15.0
120.08160	3.9
121.06481	3.9
123.02650	20.6
125.00567	6.8
129.01833	6.6
131.04958	8.4
132.05722	7.4
133.01268	5.0
133.06503	10.0
134.01862	23.4
135.02667	5.2
137.04214	17.9
137.05984	12.9
147.02628	57.0
148.03264	4.1
150.01375	9.8
151.02133	59.4
157.01404	4.3
161.05960	23.2
165.03694	44.7
171.01131	5.6
175.02252	18.9
177.03711	7.5
181.05045	3.6
185.02739	7.1
193.03186	100.0
194.03769	4.6
219.04877	5.4
234.03798	3.5
265.05298	51.3
289.03754	13.5
351.05322	4.4
386.19995	5.8
387.14392	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	386.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09039	0.4
69.03419	0.5
69.61420	1.5
80.10028	0.4
85.02899	1.3
87.04472	0.7
91.05479	0.8
92.05806	0.5
93.07025	0.4
97.02885	0.5
98.22717	0.9
105.07052	0.8
118.64087	0.4
119.08607	0.8
121.06499	0.5
123.08068	0.5
123.11778	0.5
127.03944	0.5
137.06036	0.4
139.44106	0.4
141.43272	0.4
147.04491	0.5
147.11589	0.9
159.08142	0.5
166.05019	0.4
167.07153	0.5
178.65839	0.4
189.12714	0.9
207.13800	2.6
225.11076	0.4
225.14743	0.5
238.08560	0.9
239.09410	1.1
240.10173	0.9
242.08179	0.5
243.08952	0.5
252.06416	0.7
252.10158	1.8
253.07352	3.3
254.08105	0.9
254.11763	0.6
255.08409	0.4
256.09802	0.5
266.08200	2.1
267.08939	2.4
268.09668	12.4
269.10095	0.8
270.07590	0.7
276.15787	0.6
277.07321	0.8
278.08328	0.4
280.06076	6.2
281.06467	0.7
281.10532	0.8
282.07596	1.3
282.11087	0.9
284.09113	2.0
292.09708	4.2
294.07626	3.2
295.08395	6.4
296.09152	17.9
297.09766	3.0
298.10715	0.7
309.09885	1.1
310.10727	40.5
311.11285	6.0
312.08661	22.7
312.11731	0.6
313.09064	1.8
315.10431	1.5
324.63638	0.4
326.10236	3.9
327.10922	6.8
328.11725	2.8
340.08243	0.8
343.13504	1.0
354.09705	1.7
355.10489	47.8
356.10919	5.3
386.12317	100.0
387.12598	11.0
387.16379	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
53.20729	1.1
55.01872	4.8
57.03432	15.3
59.04997	2.9
61.02926	15.8
67.56344	1.1
69.03429	30.2
69.71132	1.2
69.79182	2.7
70.06576	2.9
71.01353	3.4
71.05004	1.5
73.02917	85.9
74.31812	1.1
79.05464	1.4
81.03415	4.7
85.02903	100.0
86.03202	1.5
86.09710	1.4
87.04475	6.2
91.03971	6.0
91.05488	1.5
97.02889	49.4
99.04465	4.3
103.03941	2.9
109.02858	8.2
115.03925	26.0
127.03916	32.3
128.78824	1.2
133.04962	32.4
133.05925	2.1
145.04956	58.2
150.07596	2.0
157.04910	1.4
163.06021	28.3
175.03867	2.1
193.04784	1.2
199.06067	1.3
207.06497	3.9
223.06033	4.9
234.96410	1.1
237.13268	5.5
241.07138	5.9
242.70914	1.2
259.08173	7.2
277.09094	1.8
295.10349	2.7
364.60886	1.1
386.15063	1.4
386.19507	2.6
387.16220	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	386.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01878	7.6
57.03438	16.6
59.04993	2.1
61.02929	16.0
69.03432	28.9
70.19649	1.6
70.19966	1.5
71.01340	3.0
71.05000	1.7
73.02919	87.4
81.03420	4.5
85.02907	100.0
86.03233	1.6
87.04466	4.2
91.03969	4.6
97.02895	53.0
98.03230	1.4
99.04456	4.3
103.03915	2.2
109.02895	6.0
115.03929	24.7
127.03917	34.0
132.06554	1.1
133.03955	1.8
133.04965	37.7
145.04964	58.0
146.05350	1.0
148.41451	1.2
148.82100	1.0
150.07693	2.2
163.06020	32.3
193.04976	1.2
217.07092	1.5
223.06006	4.5
237.13368	4.8
241.07085	6.8
259.08200	8.8
277.09363	1.2
295.10266	4.4
357.81140	1.2
387.16187	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	386.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.5
57.03435	1.1
57.07076	12.1
59.04992	1.0
60.10599	0.4
61.02907	2.0
69.03431	3.5
70.51044	0.7
73.02919	0.6
73.06547	1.0
81.03423	1.4
83.08605	2.3
85.02409	0.6
85.02910	12.1
89.06033	59.1
90.06352	1.3
90.08344	0.5
97.02899	3.2
99.04441	1.0
101.09656	9.3
105.07058	0.5
105.47999	0.5
107.07082	2.3
109.02908	1.2
117.09185	0.6
119.10670	1.1
127.03896	1.7
128.34822	0.6
133.08612	17.3
134.08914	0.9
145.04922	1.9
145.12233	9.9
151.09659	22.8
193.24956	0.5
207.15916	100.0
208.16235	3.3
226.73625	0.5
386.18832	1.4
387.14648	0.6
387.19687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	10.2
55.05504	28.1
55.81405	5.8
57.03436	37.3
57.07080	7.0
57.97565	7.8
67.05506	75.7
68.76008	6.2
69.07066	29.7
69.65522	24.8
71.12521	6.5
79.05494	70.9
81.07057	80.6
83.04988	8.2
83.08614	9.1
85.06580	12.5
91.05482	62.9
93.07049	100.0
95.04913	6.4
95.08609	62.9
97.06544	8.3
97.10175	9.4
98.22678	13.2
99.08103	5.7
105.07037	70.1
107.04949	7.7
107.08599	58.7
109.06535	8.1
109.10159	24.9
111.07991	6.7
117.07021	22.4
119.08585	48.2
121.10149	39.9
125.52465	6.8
129.06993	10.2
131.08588	30.7
132.62842	6.3
133.10127	43.7
135.11684	42.6
137.09679	7.0
139.11142	7.0
143.08537	9.8
145.10135	29.7
146.19810	6.3
147.11685	46.4
149.13226	22.4
157.10176	8.4
159.11740	23.8
161.13295	19.1
163.11209	10.1
171.11626	11.5
173.13309	7.4
175.14835	10.1
177.12691	8.1
185.13306	8.3
187.14798	18.3
201.16454	9.7
205.15942	10.4
225.75905	6.5
229.14465	7.4
241.19534	25.2
259.20541	62.2
277.21582	34.7
351.25235	58.0
367.75125	6.9
386.19507	22.2
387.21317	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	18.7
55.05509	36.0
57.03439	53.9
67.05499	90.9
69.07056	23.3
69.46774	32.9
79.05489	84.4
81.07068	93.0
81.49964	10.3
81.60390	9.4
83.08624	17.4
91.05486	68.9
93.07048	100.0
95.04950	23.7
95.08600	90.3
105.07049	61.8
106.07351	14.2
107.08610	65.2
109.10168	35.1
117.06971	22.8
119.08540	53.1
119.52326	10.1
121.10137	63.0
123.54927	10.3
129.07062	10.1
131.08522	29.2
133.10118	57.2
134.10461	13.3
135.08121	14.9
135.11693	26.1
145.10109	26.7
147.11700	26.9
149.13225	18.2
151.11180	17.2
159.11667	27.7
161.13321	30.2
209.81079	10.2
212.13469	13.7
235.67877	9.9
259.20688	50.1
274.75797	10.9
277.21616	19.8
351.25333	70.3
386.19745	19.3
387.15652	18.5
387.21329	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.05491	1.8
67.53854	1.1
69.03419	1.8
70.06526	4.0
73.06544	3.0
74.06913	1.2
79.05479	1.4
85.02891	3.8
86.09711	1.2
91.05467	1.8
93.07037	2.0
95.08611	1.7
96.46745	1.0
97.02905	1.1
99.04465	1.5
105.07037	2.4
107.08598	2.3
109.06528	1.6
119.08577	1.3
120.08057	1.4
121.06509	1.7
123.08066	3.3
127.03866	1.1
133.10149	1.3
137.05959	1.2
137.09671	1.2
138.12778	2.8
145.04927	1.0
145.10135	1.0
147.04433	2.5
149.06169	1.1
149.09613	1.9
151.07571	2.7
161.13139	1.3
162.12802	2.3
163.11174	2.4
165.09120	1.9
167.06960	1.7
167.10620	1.5
181.12268	2.2
189.12709	2.1
191.07086	1.3
204.13852	13.0
207.13795	8.6
207.15477	1.5
208.16208	1.2
221.08078	1.2
225.14899	2.9
260.16428	1.1
387.14139	100.0
387.19821	17.0
388.14313	7.7
388.21167	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
54.19009	1.3
55.05491	1.9
56.11377	1.4
59.58145	1.4
65.03936	2.4
67.05507	4.8
69.03419	2.0
69.07061	4.9
71.11982	2.5
79.05511	4.1
81.07050	2.6
82.56226	1.5
91.05492	3.9
91.70855	1.3
93.07052	3.3
94.04202	3.3
95.04971	3.1
95.08617	2.5
103.05462	14.1
103.06052	2.3
107.04934	2.2
108.08138	1.5
115.05485	2.9
117.06993	1.7
118.04176	4.4
119.04974	1.8
119.08606	2.4
120.08130	1.6
122.03658	8.7
131.04915	12.3
133.02881	1.7
133.06487	2.5
136.07562	5.0
137.05977	100.0
138.06346	2.8
138.12811	2.6
143.04915	4.0
143.30960	1.6
145.06430	1.9
147.06638	1.9
148.05179	7.4
151.03914	36.1
151.05029	4.5
151.07588	1.6
162.12718	3.8
163.03932	3.7
163.07559	12.2
165.77032	1.6
166.72176	1.5
167.07031	11.3
167.11794	2.8
173.02333	1.6
173.06029	2.7
181.04955	24.4
187.03947	3.6
191.07031	45.1
192.07437	2.5
203.06953	2.6
204.13834	18.2
209.08141	2.2
233.08040	2.0
235.09711	1.9
260.16394	1.8
271.09790	1.6
299.12714	8.0
355.12241	2.5
357.13382	12.6
370.19806	2.8
387.14182	30.9
387.22647	4.9
387.26678	4.5
388.15060	2.5
388.21143	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1442
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
53.03923	2.1
54.37594	1.6
55.01866	3.7
55.05507	2.1
65.03939	5.3
67.05501	4.8
69.03428	3.0
71.04990	4.9
71.46330	1.6
79.05496	3.8
81.03417	3.2
81.07053	3.5
84.04507	2.1
85.02896	2.9
86.09714	17.9
87.04511	1.6
91.05482	10.3
94.04176	4.0
95.04957	4.0
95.08633	2.4
96.08144	1.8
97.02893	2.3
97.06558	1.8
99.04459	29.5
103.05455	20.0
105.03384	1.7
105.07022	19.2
107.04953	6.1
107.08569	1.7
109.06495	2.4
111.04471	2.3
111.08112	2.0
115.05470	5.2
117.07021	5.8
118.04191	4.9
119.04939	2.7
119.08567	14.6
121.06506	8.2
122.03648	6.8
124.05174	2.3
125.06008	1.8
128.06262	3.4
131.04921	21.9
133.02931	2.0
133.06454	5.4
133.10139	13.9
135.08026	3.0
137.05981	100.0
138.06299	3.2
143.04950	4.4
143.08545	6.6
145.06488	3.6
145.10153	2.7
146.07245	6.5
146.11743	5.9
147.08038	23.9
148.05193	14.2
149.06018	2.1
151.03915	62.1
151.05026	6.0
161.05966	2.0
161.09619	62.5
163.07544	22.1
163.11200	5.3
165.05434	1.7
167.07031	19.3
171.06531	2.8
171.07951	2.2
173.05960	7.0
174.06715	1.7
175.07596	3.6
176.04698	3.0
179.10776	2.9
181.04953	47.4
187.07594	2.0
189.09114	15.3
191.07025	81.7
192.07384	4.4
197.12862	2.0
203.07088	3.2
204.13837	12.0
205.08623	2.6
207.10143	19.9
209.08070	4.5
219.10211	2.0
225.11273	2.8
233.08093	2.6
235.07544	2.0
235.09615	3.0
242.15224	1.7
263.09204	3.7
264.07907	2.1
269.08139	3.4
311.12943	2.0
325.10840	1.8
351.12308	2.1
355.11838	3.7
357.13385	11.6
360.28537	1.7
369.13300	3.8
385.06635	1.7
387.14117	40.9
387.17944	4.9
388.14587	2.7
388.15485	2.9
388.21188	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	387.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.1
69.03429	2.7
69.56085	1.8
69.56450	3.0
70.06594	1.9
72.08152	1.3
73.02923	3.2
75.06343	0.9
81.50397	1.0
85.02904	5.2
86.03239	1.2
86.09716	3.9
91.05491	1.7
93.69385	0.9
93.77661	0.9
97.02900	2.2
98.03202	1.4
105.07034	0.9
115.03940	2.3
127.03937	1.8
130.51143	0.9
138.12781	2.0
141.15546	1.0
145.04990	3.0
145.41339	0.9
146.05324	1.8
148.07664	0.9
155.03535	1.0
162.09204	1.1
162.12833	2.3
163.11166	1.4
167.07089	1.3
177.05486	1.1
204.13847	13.7
207.09926	1.0
207.13719	1.2
225.10947	8.8
260.16507	2.9
275.12823	1.9
325.16287	2.6
387.16309	100.0
388.16562	5.4
388.21112	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	387.163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38515	0.4
69.03439	0.6
70.53296	0.8
70.53641	0.5
79.05492	0.7
81.07082	0.4
90.63799	0.4
93.23120	0.4
95.08616	0.5
96.08125	0.5
105.07061	0.8
107.04991	0.4
113.00858	0.5
119.07340	0.5
120.08102	0.8
133.10146	0.5
138.12778	1.2
145.03528	0.6
148.07591	0.9
150.09256	0.5
151.96507	0.5
162.09167	0.9
162.12788	1.5
167.07117	0.7
183.02353	0.4
190.12318	0.5
204.13841	9.8
232.16965	0.6
260.16479	1.8
271.04257	1.2
275.12753	1.1
283.15256	0.7
301.16217	1.1
343.17273	12.7
344.17706	1.0
369.16766	1.5
387.16266	100.0
388.16455	6.4
388.21182	21.9
388.24924	0.5
388.26450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.2
57.03425	6.7
67.05502	6.0
69.03419	6.7
69.07074	6.1
71.04996	8.3
79.05481	12.1
81.03415	4.4
81.07050	15.7
86.09695	16.7
91.05491	14.7
93.07041	12.2
95.04990	5.8
95.08617	10.0
97.02897	9.9
99.04453	17.8
100.75227	3.6
103.05456	11.1
105.07031	36.4
107.04956	5.4
107.08607	8.1
108.96964	3.9
117.07039	4.3
120.08126	4.3
121.06557	4.6
124.05276	4.1
127.86058	4.0
131.04926	18.0
131.08435	5.9
133.06512	7.6
133.10127	29.2
135.08078	4.8
137.05991	63.1
139.03868	6.9
143.08545	7.4
145.06503	6.5
145.10193	4.8
146.11771	6.6
148.05092	4.8
151.03882	21.4
151.04996	5.3
161.09625	35.8
162.12802	9.4
163.07567	12.3
163.11203	9.3
165.09097	4.3
165.36449	3.7
167.07034	26.6
177.05374	5.0
179.10699	19.0
181.04980	22.6
189.09108	16.3
191.07030	26.9
203.14191	4.4
204.13843	48.8
207.10187	13.7
213.09200	5.0
225.11299	20.0
233.08104	5.0
259.20786	3.9
260.16507	9.6
269.07999	10.6
273.11310	7.9
275.13168	4.4
286.08527	4.1
301.10583	6.2
311.12787	11.0
325.10974	5.1
337.10590	4.6
339.12320	10.5
357.13339	15.4
387.14258	17.3
387.18698	9.3
388.21234	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.1
55.01852	0.1
65.03954	0.4
66.04717	0.1
69.44836	0.2
69.45232	0.2
75.04484	0.1
76.82563	0.1
77.03918	0.2
78.04702	0.4
79.05489	0.7
79.21315	0.1
80.06277	0.7
90.04700	0.6
91.04944	0.1
91.05486	2.7
93.07042	0.2
94.04205	0.1
95.04961	0.3
95.56254	0.1
96.08145	0.1
98.22730	0.2
103.05479	0.3
105.03394	0.3
105.04510	0.1
105.07002	0.2
106.04177	0.5
107.04957	5.7
108.05754	3.0
109.06535	0.4
115.05470	0.4
117.07014	0.8
118.04145	0.4
119.04960	0.2
119.06041	0.2
119.08591	0.1
121.06511	3.6
122.03648	0.1
128.06265	0.1
130.04146	0.1
130.62302	0.1
131.04927	0.5
132.05754	0.1
133.06514	0.4
134.07281	0.1
135.03474	0.1
135.04427	1.7
135.08038	0.1
136.05219	2.4
136.11201	0.1
137.05975	0.2
138.06770	0.1
138.12807	0.1
139.07611	0.2
145.06477	1.3
146.07280	4.2
147.04414	0.2
147.08047	0.9
149.05986	2.6
149.09596	0.2
150.06696	0.3
151.07547	100.0
152.07877	3.6
155.03381	0.1
157.06493	0.1
158.07277	0.2
159.04446	0.1
159.08105	0.4
161.05989	0.4
162.06770	1.2
162.09096	0.1
162.12802	0.2
163.07549	1.0
165.05499	1.3
165.09117	1.0
171.08116	0.2
172.08804	0.4
173.05998	0.2
174.06674	0.2
175.07530	0.4
176.08347	0.2
177.09116	9.6
177.71982	0.1
178.09428	0.5
179.07025	2.3
188.08324	0.5
189.09090	0.9
190.06194	0.1
190.09546	0.1
190.82727	0.1
191.07036	2.3
192.07686	0.2
193.08614	0.4
200.08136	0.1
201.09183	0.5
203.10703	0.7
204.13847	1.4
205.08597	0.6
213.09087	0.2
215.10608	0.7
217.08617	0.2
231.08134	0.1
231.10202	0.5
233.09799	0.1
235.09569	0.1
245.09665	0.8
246.10269	0.1
247.11208	0.1
249.11215	0.2
258.10385	0.2
259.11111	0.1
260.16507	0.2
261.09161	0.3
262.09912	0.3
263.10690	0.4
273.09097	0.4
274.09863	0.4
275.10675	0.2
276.11371	0.2
277.12219	0.4
278.12982	1.0
282.05664	0.1
288.11438	1.6
289.08627	0.3
289.12170	0.6
290.09274	0.2
291.09998	0.1
303.09882	0.1
304.10934	0.8
305.11667	1.0
306.12216	0.2
309.14853	2.0
309.18414	0.1
310.15186	0.2
314.76825	0.1
318.12274	0.1
319.13284	6.6
320.13870	1.4
321.11279	0.3
335.13089	0.1
336.13522	0.3
337.14343	2.4
338.14493	0.2
340.30618	0.1
347.15421	0.1
351.11465	0.1
351.15918	3.4
352.16266	0.3
369.16995	3.9
370.17236	0.3
387.17996	1.1
388.21310	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
50.61385	1.0
53.03939	2.9
55.01859	3.3
55.05518	1.3
57.03441	7.5
57.07075	3.9
59.04993	3.0
61.02929	11.0
62.93898	0.9
67.05514	4.9
67.28302	1.1
69.03430	27.4
69.07052	1.9
69.44878	4.8
69.53416	0.9
71.04980	4.4
73.02909	4.6
79.05496	3.9
81.03419	11.7
81.07048	6.4
83.04974	4.0
83.08624	1.1
85.02907	70.7
85.06558	3.2
87.04465	4.5
91.03963	3.8
91.05489	4.3
93.07043	5.0
95.04948	3.1
95.08616	10.1
97.02892	23.8
97.06532	3.8
99.04473	5.7
99.28323	1.0
105.07033	8.5
107.04957	1.2
107.08591	6.4
108.05738	1.3
109.02897	6.4
109.06514	4.4
109.10168	1.9
117.06976	1.1
119.08584	4.6
119.84372	1.0
120.08136	1.1
121.06516	4.6
121.10123	6.3
122.07331	1.7
123.08070	54.9
125.06003	7.5
125.09727	1.0
127.03910	17.4
130.07889	1.0
131.08537	2.2
133.06491	4.1
133.10135	3.8
135.08020	2.1
135.11690	3.0
137.05971	3.7
137.09630	3.0
138.12836	1.5
145.04958	29.7
145.10138	4.0
147.11696	3.4
149.09579	3.1
151.07545	100.0
152.07896	4.0
153.09125	2.4
159.08037	1.0
161.13235	1.1
163.06013	2.4
163.11180	50.8
165.09213	1.0
165.12727	1.4
167.07001	1.6
171.11749	1.7
181.10640	1.8
181.12228	32.6
189.12721	18.5
191.14337	2.8
191.18695	1.0
198.82091	1.0
204.13832	7.0
207.13805	58.3
208.14139	2.1
209.15359	4.7
223.13367	1.2
225.14822	11.3
260.16556	1.4
369.18567	1.4
387.20111	76.7
388.21045	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	387.2014
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.05004	8.5
67.05498	14.1
69.03423	14.8
69.07084	5.3
69.20998	4.8
70.73245	9.1
71.04984	19.7
79.05484	12.4
81.07037	11.1
85.02905	22.3
91.05490	16.5
93.07035	8.7
95.04986	9.3
95.08607	11.5
97.02847	10.7
101.70370	4.5
105.07013	23.0
107.08604	30.7
109.06524	10.5
109.10162	18.4
119.08588	19.2
121.06455	4.6
121.10139	23.6
121.42896	4.3
123.08054	32.7
125.09669	6.3
131.08589	9.6
132.65054	5.3
133.10129	5.7
135.08083	12.1
135.11786	4.8
135.86357	5.5
137.05992	18.6
137.09618	82.5
138.12737	6.0
145.06447	4.9
147.11668	15.6
149.09622	98.1
150.87956	5.2
151.07550	14.9
153.05479	16.9
161.13263	17.8
162.12706	6.3
163.11247	5.6
165.12698	9.4
165.85805	5.3
167.07065	31.0
171.11630	5.1
179.14304	5.5
189.12756	72.1
204.13826	50.9
207.13844	100.0
208.14146	5.3
225.14868	67.5
267.10181	5.6
307.09354	6.0
309.08459	6.9
310.05490	5.1
386.64142	4.9
387.14291	64.8
387.19891	50.1
388.21170	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71170	1.8
55.05492	3.8
57.07072	4.3
59.05001	1.8
67.05505	23.1
69.03430	3.9
69.46078	7.7
81.07036	4.6
83.04986	2.9
85.02916	3.2
85.06541	10.4
89.06063	11.1
89.90034	1.9
91.05484	4.3
93.07037	8.4
95.05003	3.8
95.08607	100.0
98.22584	2.4
105.07061	5.4
107.08586	9.3
109.10134	2.5
113.06003	11.1
115.27222	2.0
119.08582	17.8
121.10168	5.7
122.10604	1.9
123.08064	33.6
123.11806	1.9
124.11322	1.7
129.45479	2.0
131.08453	2.2
133.08595	7.8
133.10179	3.7
135.11670	15.7
137.09630	3.5
146.08719	1.7
146.46104	2.0
147.11679	6.9
149.09619	31.9
151.14824	2.5
161.13249	14.4
163.11230	5.2
165.12769	6.7
177.11209	2.0
179.14342	6.6
189.12750	17.3
192.08031	1.9
204.13893	7.7
207.13800	72.3
208.14188	5.3
225.10957	2.0
225.14748	2.4
289.56281	1.9
327.08447	1.7
346.02640	2.1
371.22617	4.4
387.14487	6.6
388.21158	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	387.2016
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.93648	1.7
54.16295	2.2
55.05516	2.3
57.07079	3.2
57.45555	1.8
58.28875	1.9
61.71391	2.0
67.05206	2.5
67.05513	23.9
68.94572	1.8
69.03419	3.1
69.49894	5.0
81.07061	3.7
81.38316	1.9
83.04964	2.1
85.02894	3.9
85.06541	11.4
86.09705	4.3
89.06036	3.2
91.05471	2.2
93.07032	7.7
95.04970	2.4
95.08612	100.0
96.08945	2.5
105.07028	6.4
107.08577	7.4
113.06016	14.8
119.08583	12.7
121.10136	7.3
123.08076	31.4
123.11667	3.9
135.11671	16.8
139.65044	1.9
145.10214	2.1
147.11676	4.0
149.09631	28.4
151.14830	3.7
161.13286	11.8
163.11183	10.5
165.12758	5.9
179.14275	4.5
189.12749	13.9
204.13884	3.9
207.13797	63.5
215.17133	1.9
225.10953	8.5
225.15150	1.9
308.73297	1.9
387.16785	10.9
388.21228	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2015
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.05509	3.4
59.04992	9.4
62.00940	2.2
67.05502	7.9
69.03422	3.5
70.62811	4.5
79.05491	4.8
81.07071	5.7
85.02900	10.9
91.05462	6.0
93.07053	9.9
95.04987	4.8
95.08595	6.2
105.07043	17.9
107.08600	29.8
109.06525	13.9
109.10162	10.5
119.08583	15.3
121.10133	4.6
123.08100	20.9
123.34736	2.4
127.03852	3.5
131.08551	3.4
133.10121	2.8
135.08052	8.7
135.11707	14.5
137.09624	100.0
138.09932	6.5
138.12807	2.8
147.08034	2.9
147.11685	10.2
149.09650	5.8
153.09106	6.1
161.13251	11.2
189.12779	10.0
204.13852	7.6
207.13809	14.4
225.14973	4.3
248.60277	2.9
299.10239	3.0
328.05612	2.8
355.09219	6.4
387.12003	5.3
387.14871	2.9
387.19739	5.9
388.21420	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	387.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.8
55.05518	3.2
57.07082	3.8
64.95084	0.3
65.45574	0.3
67.05502	1.7
69.03422	0.8
69.07074	3.2
69.67372	1.0
69.67732	0.4
70.06596	82.1
71.05003	2.4
71.06924	1.3
71.08633	1.4
74.02442	1.1
79.05501	1.0
81.07080	1.9
83.04944	0.3
83.08622	2.5
87.09233	1.3
88.07672	0.6
89.97395	0.3
91.05502	0.9
93.07049	1.2
95.05035	0.4
95.08613	1.3
96.08138	0.9
97.07665	3.4
97.10202	2.0
98.06075	1.2
99.04448	0.5
99.06862	0.7
99.08100	0.4
105.07034	0.7
106.06628	0.3
107.08599	0.9
109.10181	0.6
111.11717	0.4
112.07639	1.0
113.07122	2.6
114.05547	0.7
115.08695	100.0
116.07097	14.4
116.08984	1.7
119.08578	0.5
120.08128	1.2
121.10167	0.8
122.09659	0.4
131.55252	0.3
133.08900	0.4
133.09709	2.1
138.12799	1.3
139.08687	0.5
141.06587	2.7
147.06792	0.4
148.07605	1.3
150.12929	0.3
151.07562	0.6
152.10703	0.4
155.03358	0.5
157.09732	1.6
158.08102	1.1
162.09181	0.5
162.12816	1.7
176.14404	0.8
183.06615	0.5
188.08313	1.1
203.10718	3.3
204.13835	13.6
219.29958	0.3
227.69685	0.3
259.16956	13.3
260.16519	2.3
275.12708	1.6
275.69403	0.4
305.29431	0.4
333.29065	2.2
351.30084	11.2
352.29956	0.5
369.31134	15.4
370.30191	1.6
387.32211	11.5
388.21191	24.4
388.32437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01865	1.2
57.03431	8.2
59.05004	1.5
67.05530	1.9
68.81570	1.0
69.03430	12.4
69.63167	1.1
69.63503	3.9
71.04996	1.4
75.04484	20.1
77.03923	1.2
79.05470	6.5
81.03410	1.9
81.07057	7.2
83.84372	1.1
85.02895	6.3
89.06023	2.0
91.05471	9.0
93.07045	100.0
94.07422	2.3
95.01326	17.1
95.04955	3.8
95.08601	7.3
96.08133	2.1
97.02896	28.6
98.23507	1.2
99.04429	1.1
105.04524	1.3
105.07035	13.3
105.07671	2.1
106.06573	1.8
106.07314	1.1
107.08591	5.8
109.06521	7.8
109.10128	2.0
111.08078	15.3
113.02376	18.9
117.07068	1.3
119.08560	2.7
120.08103	3.1
121.06507	1.3
121.10145	92.1
122.10458	2.3
123.00789	26.8
123.08061	3.4
123.11726	2.7
124.11260	1.4
125.02342	5.3
125.05981	3.2
127.03915	1.7
131.08592	2.7
133.06503	2.2
135.08025	3.1
136.11214	2.6
138.12773	7.2
139.11182	16.3
141.01830	17.5
143.03383	15.9
147.06779	1.6
147.08025	1.4
148.07564	4.5
149.09598	19.9
151.04024	1.1
155.03441	2.8
162.09142	3.3
162.12758	9.4
164.14360	1.7
167.10675	69.3
168.11124	2.2
169.01314	17.8
174.12799	1.6
176.14389	1.5
186.12793	1.5
187.02344	5.4
190.12317	1.9
191.10680	1.2
191.14328	4.0
204.10066	1.9
204.13841	48.3
205.14273	2.2
207.13850	1.7
208.16501	1.4
209.15337	2.3
218.11818	1.5
260.16418	8.1
261.11377	1.2
275.12857	4.3
370.20288	1.4
388.21167	93.6
389.15723	3.5
389.21426	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.5
53.03934	0.6
55.01860	0.8
57.03432	0.7
61.02929	0.6
67.05486	0.6
68.90634	0.3
69.03429	5.1
69.07083	0.3
71.04985	0.9
71.47722	0.4
72.08138	0.4
73.02890	0.7
77.03909	0.5
79.05489	3.9
81.03428	2.6
81.07067	0.7
83.01357	0.3
83.04983	0.4
85.02901	8.6
86.09709	1.8
87.00826	4.7
89.06020	0.4
91.05476	1.1
93.07044	0.8
94.06582	0.3
95.04969	2.0
95.08591	0.3
96.08120	1.4
97.02889	7.6
99.04454	1.8
100.36899	0.3
103.05465	2.9
105.01865	10.3
105.07026	100.0
106.06539	1.0
106.07362	3.5
107.08595	0.7
108.04475	0.4
109.02866	2.7
109.06593	0.4
112.25343	0.3
118.06552	0.4
119.08543	0.9
120.08094	1.7
121.06478	1.3
122.09664	1.0
123.08054	0.3
124.11253	0.4
125.09599	0.3
127.03908	9.5
128.04248	0.4
128.88428	0.3
129.05499	0.6
129.07068	0.4
130.06529	0.4
131.08577	0.6
136.11177	0.8
137.05899	0.3
138.12776	3.4
138.31395	0.3
141.41345	0.2
143.08519	0.4
145.04947	8.1
147.06836	0.3
147.08035	0.6
148.07565	1.8
149.06000	0.3
150.09146	0.5
151.03897	0.3
151.07582	0.5
153.05524	0.5
155.03375	1.2
159.02873	2.1
159.08046	0.6
161.08293	0.4
162.09123	1.0
162.12776	2.8
163.11136	0.3
164.14441	0.4
165.05501	0.4
167.07037	0.3
171.02943	0.3
171.08023	0.3
174.12764	0.4
175.07617	0.3
176.14374	1.0
181.08482	0.3
183.06531	0.6
186.12781	0.5
189.03923	0.7
189.09099	0.5
190.12256	0.6
191.10677	0.6
195.08095	0.3
204.13831	19.7
205.08586	0.4
205.14275	1.1
207.10321	0.4
213.03935	0.5
213.09087	0.7
218.15388	0.3
221.10066	0.3
231.04979	5.0
231.10327	0.4
232.17120	0.3
233.08112	0.4
249.06036	2.8
260.16458	3.4
273.11154	0.5
275.12732	1.3
317.09967	0.3
370.20093	0.4
388.21133	38.0
389.21402	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87346	0.9
52.35938	0.9
53.03938	3.1
55.01870	4.9
55.05520	0.8
57.03429	3.9
61.02919	2.9
68.82068	1.0
68.99810	2.2
69.03065	1.8
69.03429	20.7
70.06581	1.1
70.59495	2.0
71.04987	2.9
73.02906	3.1
77.38161	1.0
79.05503	3.4
81.03419	14.2
81.07068	2.2
83.01339	1.1
83.01790	0.8
85.02905	54.6
87.00832	22.3
87.01375	0.9
89.06059	1.6
91.05495	2.7
93.07041	4.7
94.06525	1.0
95.01328	1.1
95.04969	1.2
96.08134	3.1
97.02886	15.8
99.04439	7.2
105.01870	40.7
105.07027	18.0
106.06566	1.9
107.79012	1.0
108.04525	2.3
109.02876	15.4
109.06481	1.0
109.43806	1.0
113.02386	1.3
118.06535	1.2
119.08567	1.4
120.08131	4.6
121.10116	6.5
122.09656	1.0
123.00815	2.0
124.11243	1.5
126.12901	1.0
127.03919	43.2
128.04280	1.3
128.10658	0.9
129.01875	2.2
131.08598	1.1
133.10199	1.0
134.05971	1.2
135.04393	1.0
136.11247	2.3
137.05989	3.3
137.09612	1.0
138.12772	7.5
139.11255	1.4
145.04953	21.8
147.02922	1.1
147.06683	2.0
147.07968	1.0
148.07578	4.4
151.03897	0.9
151.07570	0.9
155.03387	3.7
155.12642	1.0
159.02870	7.8
161.08296	1.4
162.09116	3.0
162.12766	8.8
164.14267	1.3
165.05452	1.0
166.64331	1.0
167.07008	2.2
167.10735	3.4
168.07307	0.9
174.12831	2.4
176.14313	2.1
177.03998	1.1
181.04973	2.3
182.09906	1.0
183.06601	2.1
186.12708	1.7
189.04007	1.9
190.12224	1.6
203.09415	1.0
204.13838	53.6
205.14325	2.8
213.03886	2.0
217.08649	1.1
231.04974	16.9
248.07693	1.3
249.05992	6.1
260.16458	9.0
266.05658	1.0
268.07764	1.0
273.11234	1.1
275.12775	6.8
291.43365	1.0
326.91589	1.0
356.11743	1.0
370.20300	1.2
388.15576	4.6
388.21164	100.0
389.17154	1.2
389.21472	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	388.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87346	0.9
52.35938	0.9
53.03938	3.1
55.01870	4.9
55.05520	0.8
57.03429	3.9
61.02919	2.9
68.82068	1.0
68.99810	2.2
69.03065	1.8
69.03429	20.7
70.06581	1.1
70.59495	2.0
71.04987	2.9
73.02906	3.1
77.38161	1.0
79.05503	3.4
81.03419	14.2
81.07068	2.2
83.01339	1.1
83.01790	0.8
85.02905	54.6
87.00832	22.3
87.01375	0.9
89.06059	1.6
91.05495	2.7
93.07041	4.7
94.06525	1.0
95.01328	1.1
95.04969	1.2
96.08134	3.1
97.02886	15.8
99.04439	7.2
105.01870	40.7
105.07027	18.0
106.06566	1.9
107.79012	1.0
108.04525	2.3
109.02876	15.4
109.06481	1.0
109.43806	1.0
113.02386	1.3
118.06535	1.2
119.08567	1.4
120.08131	4.6
121.10116	6.5
122.09656	1.0
123.00815	2.0
124.11243	1.5
126.12901	1.0
127.03919	43.2
128.04280	1.3
128.10658	0.9
129.01875	2.2
131.08598	1.1
133.10199	1.0
134.05971	1.2
135.04393	1.0
136.11247	2.3
137.05989	3.3
137.09612	1.0
138.12772	7.5
139.11255	1.4
145.04953	21.8
147.02922	1.1
147.06683	2.0
147.07968	1.0
148.07578	4.4
151.03897	0.9
151.07570	0.9
155.03387	3.7
155.12642	1.0
159.02870	7.8
161.08296	1.4
162.09116	3.0
162.12766	8.8
164.14267	1.3
165.05452	1.0
166.64331	1.0
167.07008	2.2
167.10735	3.4
168.07307	0.9
174.12831	2.4
176.14313	2.1
177.03998	1.1
181.04973	2.3
182.09906	1.0
183.06601	2.1
186.12708	1.7
189.04007	1.9
190.12224	1.6
203.09415	1.0
204.13838	53.6
205.14325	2.8
213.03886	2.0
217.08649	1.1
231.04974	16.9
248.07693	1.3
249.05992	6.1
260.16458	9.0
266.05658	1.0
268.07764	1.0
273.11234	1.1
275.12775	6.8
291.43365	1.0
326.91589	1.0
356.11743	1.0
370.20300	1.2
388.15576	4.6
388.21164	100.0
389.17154	1.2
389.21472	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	388.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43585	0.4
53.03927	0.4
69.03423	0.7
70.21043	0.8
77.03918	0.8
79.88285	0.4
91.05479	2.9
93.06513	0.5
93.07052	4.6
95.04953	1.3
96.08141	1.1
103.05485	2.7
105.04518	0.6
106.06509	0.4
118.06552	0.6
120.08121	0.5
121.06510	100.0
122.06860	2.6
136.87541	0.4
138.09146	32.6
138.12772	1.7
139.09460	0.9
148.07605	0.5
162.09097	0.7
162.12784	1.4
176.14282	0.6
183.06471	0.7
184.79712	0.4
204.13853	7.3
204.37634	0.4
245.63324	0.4
260.16519	1.3
275.12784	1.1
346.05905	0.4
365.22235	0.5
388.21201	18.6
389.21439	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.212
Annotation	UCS1025 A
Peak:m/z	Relative Intensity
57.03410	0.3
59.42504	0.4
67.05481	0.6
68.05023	0.5
69.03438	3.3
69.79559	1.2
70.37021	0.4
71.05009	0.7
74.76485	0.4
79.05498	1.3
80.05019	0.5
81.03413	0.7
81.07069	0.8
82.06557	0.8
83.01340	0.9
83.07358	0.7
89.09042	0.4
91.05500	1.1
93.07028	1.2
94.06547	0.4
95.08545	0.5
96.08128	3.3
97.72036	0.4
98.23387	0.7
99.04462	1.5
105.07007	1.1
106.06561	1.5
107.08556	0.9
109.06524	0.5
118.06550	1.0
119.07327	0.6
119.08543	0.9
120.08097	3.3
121.06516	0.7
122.09663	0.6
123.08105	0.5
124.11250	0.7
127.03936	1.1
129.05502	0.4
129.07066	0.4
130.06494	0.6
131.08598	0.4
132.08069	0.5
133.05244	0.5
134.09674	1.0
136.11188	2.1
137.05957	0.6
138.12775	7.7
143.08531	0.4
144.08080	0.7
145.06519	0.5
145.40431	0.4
147.06795	1.4
147.08028	0.6
148.06506	0.4
148.07553	2.9
154.12242	0.4
155.03369	2.3
155.07092	0.4
159.08058	0.7
159.11632	0.4
161.08368	0.7
162.09138	2.5
162.12778	7.3
164.14330	0.7
165.05507	0.8
167.07045	0.7
174.12772	1.6
176.14333	3.0
179.07001	0.6
183.06549	1.9
183.07962	0.5
186.12756	1.1
187.07591	0.4
187.11211	0.6
188.14412	0.8
190.12222	2.0
203.09427	0.4
204.10153	1.2
204.13832	47.1
205.14262	2.8
206.15411	0.5
207.10350	0.6
218.11769	0.9
218.15323	0.9
232.17052	1.0
233.08060	0.5
234.18573	0.4
247.09895	0.5
260.16470	8.8
261.16855	0.6
273.11151	1.4
275.12793	5.0
276.13040	0.8
341.17331	0.8
370.20126	1.6
388.21179	100.0
388.25232	4.4
389.21494	9.9
389.26154	0.9
397.78241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01866	1.4
55.05511	1.9
61.02924	1.2
67.05506	1.5
68.99786	0.7
69.03442	6.1
69.07066	1.1
69.39310	3.3
71.04987	1.6
74.86439	0.8
79.05501	4.1
81.03407	4.6
81.07052	2.5
83.04974	1.2
84.96013	0.8
85.02910	12.2
87.00832	3.3
91.05482	1.1
93.07042	1.4
95.08592	2.2
96.08123	1.5
97.02898	3.8
99.04462	2.2
100.11262	1.1
103.05477	1.2
105.01850	4.2
105.07034	100.0
106.06686	0.8
106.07401	3.7
107.08599	2.9
108.04499	0.9
109.02877	2.3
109.06502	1.5
109.10110	1.2
115.03933	0.8
119.08598	2.7
120.08114	2.0
121.10153	3.0
122.09715	0.9
127.03924	6.8
131.08606	1.6
133.10138	2.3
134.52776	0.9
135.08060	1.1
136.11194	1.6
138.12782	4.6
145.04977	3.1
145.10165	1.1
147.08049	2.7
148.07552	2.2
149.09685	1.3
149.13220	1.9
151.11169	5.0
155.03354	1.6
157.10175	0.9
159.02898	1.9
159.08080	1.7
162.09135	1.4
162.12802	3.8
163.14833	1.3
165.05582	0.9
167.07135	0.8
171.08029	1.0
173.13327	1.2
174.12781	1.4
176.14279	1.6
185.09599	1.0
186.12651	0.8
189.03952	1.1
189.09102	1.2
190.12230	1.5
191.14322	7.2
204.13846	27.7
205.14337	1.1
209.15349	12.0
213.09114	1.8
231.05016	1.9
231.10216	1.4
232.16844	0.9
248.07669	0.9
260.16403	5.2
275.12820	2.4
388.21198	52.0
389.21695	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	388.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53836	0.6
52.28510	0.7
55.01860	1.0
55.05501	1.9
57.07058	1.7
67.05492	2.7
69.03438	3.6
69.07059	5.0
69.81813	2.3
71.04984	1.1
72.31100	0.6
79.05500	3.4
80.04945	0.7
81.03407	1.4
81.07058	12.9
82.06551	0.7
83.08611	1.7
85.02889	2.1
85.06541	1.3
86.09698	0.7
91.05473	2.9
93.07040	6.2
95.04976	1.4
95.08620	3.8
96.08116	2.3
97.06532	3.8
98.23381	1.4
99.04454	0.7
101.02361	0.7
105.07016	4.9
106.06564	0.9
107.08600	9.3
108.08121	0.9
109.06494	2.0
109.10152	5.4
111.08067	1.1
117.06954	0.8
119.08571	2.4
120.08115	2.8
120.81335	0.6
121.06487	1.0
121.10145	8.9
123.08086	6.0
123.11712	43.2
124.12035	1.3
127.03894	1.7
129.06950	0.8
131.08563	4.2
133.10133	21.5
135.08043	4.5
135.11737	3.4
136.11235	1.2
137.05957	1.0
137.09608	0.9
138.12772	6.5
145.06456	0.7
145.10083	1.5
147.06804	0.8
148.07584	2.6
149.09613	1.4
149.13278	1.6
155.03380	1.8
158.10890	0.9
159.11642	0.7
162.09175	1.6
162.12747	4.5
163.14854	4.9
165.05463	0.8
167.07088	1.3
173.13251	8.8
174.12642	0.8
176.14377	3.0
183.06500	1.3
190.12277	1.5
191.14313	100.0
192.14638	5.3
203.09381	0.8
204.13840	35.4
205.14241	2.1
214.15919	0.9
232.16910	1.4
246.17043	1.2
260.16467	6.1
262.18048	0.8
275.12848	3.7
315.91287	0.8
370.20184	1.5
388.21185	69.6
388.25522	4.0
389.16873	1.0
389.21463	6.8
413.97601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
55.01883	2.8
55.05516	2.7
57.03434	2.7
61.02919	1.5
66.05791	1.0
67.05494	5.7
69.03423	9.8
69.07063	2.6
69.23948	2.3
69.24358	5.1
69.47057	1.3
71.04994	15.8
73.02929	2.1
77.79001	1.0
79.05489	4.2
79.05909	1.0
80.50965	1.1
81.03435	5.3
81.07052	4.3
83.08623	4.1
85.02908	19.9
85.06541	39.2
87.00848	6.8
91.05484	6.3
93.07034	10.3
95.04958	3.1
95.08647	5.8
96.08130	4.0
97.02890	6.5
97.06536	5.5
97.32748	1.0
98.23692	1.0
99.04459	4.3
105.01869	6.4
105.07020	10.1
106.06543	2.6
107.04979	1.2
107.08599	18.2
108.04478	2.5
108.05753	1.3
108.08182	1.3
109.02881	4.8
109.06528	7.0
109.10162	5.4
111.08085	6.7
115.05457	1.3
117.07007	4.5
119.08595	4.1
120.08125	3.2
121.06497	1.5
121.10149	16.9
123.08065	12.7
123.11681	1.3
127.03925	18.8
129.06963	1.5
130.06586	1.4
131.08585	7.3
133.10114	8.8
135.08061	11.7
136.11169	2.5
136.76027	1.1
137.06007	3.0
138.12796	5.2
143.08632	1.6
145.04933	10.5
145.10143	3.2
147.02837	1.4
147.11676	5.7
148.07570	3.8
149.09599	1.9
149.13254	4.1
155.03378	1.9
159.02866	6.5
162.09206	2.2
162.12807	8.8
164.14330	1.7
165.05544	1.6
167.07025	1.9
173.13278	16.7
175.07632	1.1
176.14404	3.0
181.04958	2.0
183.06575	1.5
189.04027	1.7
190.12276	3.0
191.06979	1.7
191.12543	2.8
191.14307	58.4
192.07465	1.4
192.14641	3.1
204.13834	52.3
205.14259	1.9
209.15393	2.0
228.15930	2.1
229.75044	1.1
231.05077	3.1
246.17061	5.6
260.16479	10.0
261.16904	1.5
275.12729	3.9
284.58069	1.2
388.21182	100.0
389.21548	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	388.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
56.96572	1.1
61.64901	0.6
65.95878	0.5
69.33960	3.0
73.06567	1.0
79.05466	0.9
85.02910	1.3
85.06565	0.8
86.09697	2.0
87.04475	3.4
89.06036	100.0
90.06365	1.3
91.05489	1.1
91.07568	0.8
96.08115	0.8
98.23448	0.8
98.97596	6.9
107.07075	1.8
108.77382	0.5
116.98628	4.0
119.08558	0.9
121.10172	0.7
123.94992	0.5
128.93721	0.5
130.08664	0.7
131.07063	1.5
131.08589	0.8
133.08612	57.9
134.08929	0.9
134.99651	1.3
138.12819	0.7
141.40022	0.5
149.09624	1.0
162.12793	0.6
162.43695	0.5
163.03908	0.6
175.09605	0.6
175.14819	1.1
177.11223	22.6
191.14368	2.2
191.42117	0.5
195.12222	1.1
204.13824	4.7
221.13904	3.2
226.05371	2.3
227.12820	0.6
237.00745	1.1
239.14909	1.4
255.01717	5.0
260.16333	1.0
265.16556	0.7
273.02686	0.9
283.17575	3.3
314.49271	0.6
327.20285	2.9
347.04495	0.9
371.22778	28.3
372.23138	1.8
388.16907	0.7
388.21185	12.9
388.25732	1.1
389.05469	0.8
407.06583	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05515	5.2
57.03440	1.4
57.07074	1.1
67.05511	11.0
68.05045	0.7
69.03435	2.8
69.07079	4.8
69.38091	1.1
69.38484	1.5
71.04984	1.8
71.08645	2.2
77.03932	0.7
79.05504	6.6
80.05016	1.0
81.03417	1.2
81.07063	10.7
83.01363	0.7
83.05001	1.4
83.08621	2.1
85.06528	0.8
89.06065	0.6
91.05470	3.5
93.07045	6.6
95.04990	2.1
95.08606	8.0
96.08144	2.7
97.10188	2.3
99.04456	1.5
99.08096	2.1
105.07037	2.3
106.06581	3.0
106.07212	0.6
107.08614	4.6
107.43305	0.5
109.06520	1.0
109.10162	4.4
111.08105	0.6
117.07048	1.3
118.06571	0.9
119.08595	1.9
120.08109	4.6
121.10152	2.9
122.09673	0.8
123.08170	0.5
123.11700	1.2
124.11287	1.2
125.09698	1.2
127.03950	1.7
130.06564	1.1
131.08601	1.2
132.08116	0.8
133.05226	0.8
134.06027	0.7
134.09656	1.5
135.08035	0.8
135.11729	2.3
136.11250	3.0
137.06009	0.9
137.09653	0.9
138.12782	7.9
145.10173	1.0
146.09673	0.8
147.06813	1.8
147.08038	0.9
147.11694	1.0
148.07559	5.2
149.13268	1.4
153.09059	0.7
155.03433	3.3
155.07101	1.1
158.09680	0.6
160.07581	0.8
160.11255	1.4
161.08397	1.0
161.12010	0.6
161.13246	0.7
162.09172	4.6
162.12793	10.4
163.11197	1.2
163.13182	0.7
163.14780	0.6
164.14305	0.9
165.05507	1.7
165.12772	0.8
173.11864	1.1
173.13338	1.3
174.12819	1.5
175.14854	0.8
176.10854	0.8
176.14325	4.2
179.06998	0.9
183.06569	1.8
186.12802	1.4
187.11200	0.8
188.14375	1.1
189.11249	0.9
190.12285	2.9
191.07050	0.6
203.09366	0.9
204.13850	65.6
205.14203	5.6
207.10208	0.9
208.20276	0.6
218.11803	1.7
221.08099	0.5
222.88199	0.5
225.07550	0.8
227.12967	0.7
232.16960	2.0
234.18521	0.8
243.21056	0.9
252.50397	0.6
260.16473	11.7
261.16925	1.2
261.22144	2.3
262.18030	0.8
273.11298	1.8
275.12839	6.0
277.21564	0.6
278.22006	0.6
279.23282	5.0
353.26907	10.9
354.27158	1.0
360.21637	0.8
370.20096	1.0
388.21198	100.0
389.21606	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	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05515	5.2
57.03440	1.4
57.07074	1.1
67.05511	11.0
68.05045	0.7
69.03435	2.8
69.07079	4.8
69.38091	1.1
69.38484	1.5
71.04984	1.8
71.08645	2.2
77.03932	0.7
79.05504	6.6
80.05016	1.0
81.03417	1.2
81.07063	10.7
83.01363	0.7
83.05001	1.4
83.08621	2.1
85.06528	0.8
89.06065	0.6
91.05470	3.5
93.07045	6.6
95.04990	2.1
95.08606	8.0
96.08144	2.7
97.10188	2.3
99.04456	1.5
99.08096	2.1
105.07037	2.3
106.06581	3.0
106.07212	0.6
107.08614	4.6
107.43305	0.5
109.06520	1.0
109.10162	4.4
111.08105	0.6
117.07048	1.3
118.06571	0.9
119.08595	1.9
120.08109	4.6
121.10152	2.9
122.09673	0.8
123.08170	0.5
123.11700	1.2
124.11287	1.2
125.09698	1.2
127.03950	1.7
130.06564	1.1
131.08601	1.2
132.08116	0.8
133.05226	0.8
134.06027	0.7
134.09656	1.5
135.08035	0.8
135.11729	2.3
136.11250	3.0
137.06009	0.9
137.09653	0.9
138.12782	7.9
145.10173	1.0
146.09673	0.8
147.06813	1.8
147.08038	0.9
147.11694	1.0
148.07559	5.2
149.13268	1.4
153.09059	0.7
155.03433	3.3
155.07101	1.1
158.09680	0.6
160.07581	0.8
160.11255	1.4
161.08397	1.0
161.12010	0.6
161.13246	0.7
162.09172	4.6
162.12793	10.4
163.11197	1.2
163.13182	0.7
163.14780	0.6
164.14305	0.9
165.05507	1.7
165.12772	0.8
173.11864	1.1
173.13338	1.3
174.12819	1.5
175.14854	0.8
176.10854	0.8
176.14325	4.2
179.06998	0.9
183.06569	1.8
186.12802	1.4
187.11200	0.8
188.14375	1.1
189.11249	0.9
190.12285	2.9
191.07050	0.6
203.09366	0.9
204.13850	65.6
205.14203	5.6
207.10208	0.9
208.20276	0.6
218.11803	1.7
221.08099	0.5
222.88199	0.5
225.07550	0.8
227.12967	0.7
232.16960	2.0
234.18521	0.8
243.21056	0.9
252.50397	0.6
260.16473	11.7
261.16925	1.2
261.22144	2.3
262.18030	0.8
273.11298	1.8
275.12839	6.0
277.21564	0.6
278.22006	0.6
279.23282	5.0
353.26907	10.9
354.27158	1.0
360.21637	0.8
370.20096	1.0
388.21198	100.0
389.21606	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	388.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
55.05515	5.2
57.03440	1.4
57.07074	1.1
67.05511	11.0
68.05045	0.7
69.03435	2.8
69.07079	4.8
69.38091	1.1
69.38484	1.5
71.04984	1.8
71.08645	2.2
77.03932	0.7
79.05504	6.6
80.05016	1.0
81.03417	1.2
81.07063	10.7
83.01363	0.7
83.05001	1.4
83.08621	2.1
85.06528	0.8
89.06065	0.6
91.05470	3.5
93.07045	6.6
95.04990	2.1
95.08606	8.0
96.08144	2.7
97.10188	2.3
99.04456	1.5
99.08096	2.1
105.07037	2.3
106.06581	3.0
106.07212	0.6
107.08614	4.6
107.43305	0.5
109.06520	1.0
109.10162	4.4
111.08105	0.6
117.07048	1.3
118.06571	0.9
119.08595	1.9
120.08109	4.6
121.10152	2.9
122.09673	0.8
123.08170	0.5
123.11700	1.2
124.11287	1.2
125.09698	1.2
127.03950	1.7
130.06564	1.1
131.08601	1.2
132.08116	0.8
133.05226	0.8
134.06027	0.7
134.09656	1.5
135.08035	0.8
135.11729	2.3
136.11250	3.0
137.06009	0.9
137.09653	0.9
138.12782	7.9
145.10173	1.0
146.09673	0.8
147.06813	1.8
147.08038	0.9
147.11694	1.0
148.07559	5.2
149.13268	1.4
153.09059	0.7
155.03433	3.3
155.07101	1.1
158.09680	0.6
160.07581	0.8
160.11255	1.4
161.08397	1.0
161.12010	0.6
161.13246	0.7
162.09172	4.6
162.12793	10.4
163.11197	1.2
163.13182	0.7
163.14780	0.6
164.14305	0.9
165.05507	1.7
165.12772	0.8
173.11864	1.1
173.13338	1.3
174.12819	1.5
175.14854	0.8
176.10854	0.8
176.14325	4.2
179.06998	0.9
183.06569	1.8
186.12802	1.4
187.11200	0.8
188.14375	1.1
189.11249	0.9
190.12285	2.9
191.07050	0.6
203.09366	0.9
204.13850	65.6
205.14203	5.6
207.10208	0.9
208.20276	0.6
218.11803	1.7
221.08099	0.5
222.88199	0.5
225.07550	0.8
227.12967	0.7
232.16960	2.0
234.18521	0.8
243.21056	0.9
252.50397	0.6
260.16473	11.7
261.16925	1.2
261.22144	2.3
262.18030	0.8
273.11298	1.8
275.12839	6.0
277.21564	0.6
278.22006	0.6
279.23282	5.0
353.26907	10.9
354.27158	1.0
360.21637	0.8
370.20096	1.0
388.21198	100.0
389.21606	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	389.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.2
67.05491	0.2
69.03434	0.7
70.59909	0.2
71.04979	0.2
72.08133	0.2
76.39649	0.1
79.04216	0.1
80.04993	0.2
81.07038	0.2
86.09695	0.3
95.04971	0.2
96.08104	0.5
97.02893	0.2
97.08477	0.1
99.04427	0.2
100.69083	0.1
106.02930	0.6
106.06545	0.3
107.03668	0.2
109.05117	0.4
110.03533	2.2
120.08107	0.4
122.09694	0.3
123.04428	0.2
124.02554	0.1
124.03932	1.3
128.04556	0.6
134.04597	0.2
134.09642	0.2
135.03023	4.1
136.01334	0.1
136.11188	0.3
138.12817	0.8
139.13081	0.3
148.07559	0.3
152.05673	100.0
153.04097	5.4
153.06096	1.6
155.03317	0.2
162.09113	0.3
162.12732	0.6
163.13115	0.2
164.10692	0.1
165.05511	0.2
176.14357	0.3
177.14684	0.2
183.06473	0.2
184.19321	0.1
186.12854	0.2
190.12195	0.1
195.51921	0.2
197.24031	0.1
204.13841	3.3
205.14194	2.2
238.07111	1.0
241.25497	0.1
260.16553	0.5
261.16833	0.5
275.12708	0.3
276.13101	0.4
292.19080	0.2
376.40015	0.1
388.21161	4.2
389.21518	9.8
390.22690	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1443
Annotation	10-Acetylaucubin
Peak:m/z	Relative Intensity
55.01857	5.0
56.51130	1.9
60.04515	7.6
67.05512	2.7
69.03423	3.4
70.62305	4.7
72.08135	2.2
73.02907	23.5
79.05479	2.6
81.07079	2.8
81.60297	2.3
85.02912	6.8
86.06052	3.1
86.09701	29.7
91.05474	6.5
93.03396	3.0
93.07030	4.6
95.04960	8.0
105.07025	2.2
107.87798	2.2
109.06438	2.4
121.06481	9.1
123.04424	39.5
137.05949	4.2
138.12755	4.0
140.04672	31.1
141.06494	2.3
147.08028	6.0
151.07561	9.5
153.05429	3.8
155.07005	49.5
161.05951	2.6
162.12849	2.7
164.04616	3.8
165.05466	23.9
165.09099	4.0
171.06551	3.3
173.08076	3.0
173.12907	5.5
179.06926	2.6
181.04942	65.0
181.08646	3.7
182.05138	2.9
189.12386	4.4
193.08553	4.2
201.08696	2.5
201.12315	3.3
204.13852	13.9
205.14160	16.4
209.08080	15.0
211.09673	13.6
227.09134	100.0
228.09492	6.2
261.16745	4.1
268.16595	4.2
296.16174	2.8
357.10513	4.6
389.13394	2.9
389.17477	7.8
389.21613	63.3
390.22501	8.2
392.41290	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	389.1442
Annotation	Swertiajaposide A
Peak:m/z	Relative Intensity
55.01873	3.8
61.02891	1.6
65.03947	2.4
69.03436	2.3
71.02133	2.3
72.08147	2.0
73.02919	22.9
75.10677	1.6
85.02904	7.6
86.09715	11.3
95.04962	3.9
97.02914	2.1
123.04422	9.4
137.84688	1.6
140.04674	31.4
151.07523	2.1
153.05438	3.5
155.07021	53.6
161.06029	2.0
163.13164	2.2
171.06451	2.1
181.04944	54.1
181.08594	4.4
187.84433	1.7
204.13808	4.1
205.14142	3.9
209.08031	13.6
211.05846	2.2
211.09685	3.2
227.09137	100.0
228.09435	4.1
241.11273	1.8
251.82063	1.9
357.10168	2.6
389.17377	5.2
389.21594	11.5
390.22415	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	389.2171
Annotation	Debiloside B
Peak:m/z	Relative Intensity
55.05521	7.3
56.08266	2.1
67.05509	4.6
69.03426	13.0
69.07060	5.0
69.34348	4.4
69.34743	7.2
71.04970	2.4
72.08162	3.1
79.05515	3.8
81.07049	6.3
83.04982	7.4
85.02923	2.6
85.06537	4.1
86.09702	18.6
89.06036	10.9
90.06351	3.2
91.05466	3.5
93.07050	7.3
95.04987	4.2
95.08624	7.6
97.06529	2.9
97.10184	7.9
98.97623	2.8
99.08102	6.5
105.07021	3.6
106.59232	2.2
107.08591	14.4
109.10177	7.1
111.08109	6.4
113.05990	3.7
116.98607	2.5
121.06527	2.6
121.10170	10.0
123.08074	4.3
125.06044	2.8
125.09637	62.4
125.10511	4.0
127.07648	2.8
131.08563	3.4
133.08621	6.3
133.10124	4.0
134.08945	3.7
134.65573	1.9
135.08034	4.4
139.07576	3.0
145.10130	2.2
147.11685	3.6
149.09624	59.3
149.13292	5.3
150.09999	2.6
151.11218	12.4
152.14813	1.9
153.09161	17.5
154.09862	2.7
163.14825	8.2
173.13297	6.6
173.44902	2.1
178.11642	2.2
191.14325	30.7
205.14149	2.8
209.15366	100.0
210.15759	5.8
227.08900	2.6
227.16498	8.5
288.03876	2.2
336.96652	2.2
372.23184	3.8
389.14017	6.7
389.21939	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	0.6
58.45184	0.7
60.36110	0.6
63.02369	1.1
64.55028	0.6
65.03938	5.8
67.05488	0.9
69.07064	2.2
69.11508	1.6
69.11932	2.4
75.02366	2.3
79.05526	0.7
79.57082	0.6
81.07046	0.8
86.09709	45.9
87.10049	1.0
88.07635	1.0
89.03423	0.4
89.03915	17.8
91.05483	24.8
93.06960	0.8
102.04695	1.9
103.01832	0.7
103.12363	1.2
107.08604	0.7
108.35973	0.6
115.05457	60.7
116.06313	3.7
117.07021	26.5
118.07353	0.6
133.88857	0.6
143.04921	100.0
144.05278	3.9
145.06487	73.5
146.06812	1.9
162.09195	0.9
165.10194	1.1
178.07510	0.6
199.98039	0.6
204.13878	2.1
205.14270	2.9
228.13863	9.4
229.65149	0.6
230.15396	10.6
233.93440	0.7
245.16502	12.3
246.16953	0.8
247.18071	13.6
248.18291	1.0
256.26288	3.0
271.14401	5.1
273.16022	7.5
354.27075	0.7
371.21005	1.8
389.22092	35.0
390.22302	3.5
390.35748	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	389.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74426	0.4
51.95133	0.4
63.12022	0.3
67.12081	0.4
69.95176	0.4
70.18986	0.7
98.22704	0.4
140.26436	0.4
204.13930	0.6
335.66577	0.4
389.22992	100.0
390.23294	9.7
390.35916	0.6
410.38565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.6
67.05499	0.9
68.05004	0.4
69.03413	0.4
69.07062	0.8
70.06592	1.4
71.08646	0.4
71.45794	0.4
79.05489	0.8
80.75742	0.4
81.07037	1.7
88.07646	0.5
91.05479	0.9
93.07043	1.7
95.08602	2.8
100.13178	0.4
101.00882	0.9
102.09177	0.5
105.06998	1.3
107.08588	0.9
109.10146	1.0
119.01927	9.7
119.08570	1.8
131.08522	0.8
132.10223	0.6
133.10147	0.7
137.02971	5.3
139.13161	0.4
142.03473	1.4
145.10110	0.9
146.11749	0.6
147.11687	0.6
155.02855	0.4
159.11707	0.9
160.04535	0.5
168.50769	0.4
175.08441	0.4
178.39581	0.4
189.16376	0.4
204.13908	1.6
205.14188	1.8
284.29559	0.9
328.32101	4.1
353.23328	1.6
371.24420	4.2
389.22919	100.0
390.23016	8.9
390.35797	8.8
407.26587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	2.6
69.11787	2.1
70.06574	0.4
81.07058	0.6
87.04486	0.3
88.04002	1.5
98.23494	0.9
105.07024	0.4
107.08621	0.7
137.05937	0.7
138.12761	0.4
148.07547	0.4
163.13144	0.7
185.04883	0.5
189.04343	0.4
199.06490	0.6
204.13849	2.5
205.14209	3.7
213.08084	0.5
217.07509	0.4
231.09042	0.3
251.09628	0.5
255.09142	1.3
260.16602	0.4
261.16837	1.1
267.09155	1.6
269.10614	2.5
273.10138	0.7
276.13113	0.5
285.10089	2.1
287.11783	0.9
292.12305	0.5
302.30719	1.5
331.15909	0.8
349.16846	2.4
367.17972	3.3
389.22971	100.0
390.23276	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	389.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58940	0.6
50.65704	0.7
60.91925	0.7
62.41934	0.7
64.99681	0.7
79.57003	0.7
81.64146	0.7
88.07619	1.1
91.05477	0.9
105.06999	0.9
108.87830	0.9
119.08590	0.7
120.08090	1.0
128.97476	0.8
138.12758	0.9
155.03415	0.8
162.12708	1.4
204.13794	4.9
205.14171	9.3
260.16412	1.0
261.16666	0.8
371.25293	0.9
389.21466	21.5
389.26492	100.0
389.34650	3.1
390.22333	4.4
390.26889	9.3
390.35303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01868	0.5
60.20989	0.3
61.02946	0.4
67.05499	0.6
69.03439	0.8
70.06586	0.6
71.18208	0.3
71.45187	0.3
73.02920	0.4
79.05468	0.5
81.07056	0.7
85.02905	1.2
86.09712	1.1
91.05479	1.4
93.07055	0.8
95.04971	14.8
96.05270	0.5
97.02878	0.5
103.05490	0.6
105.07019	3.3
105.83547	0.4
107.08569	0.4
115.05484	0.8
119.04992	0.5
121.06507	2.1
122.09682	0.4
123.04432	100.0
124.04778	2.6
129.06985	0.5
133.06500	3.3
137.05980	1.0
138.12805	0.4
140.04674	0.5
147.04411	1.3
147.08061	2.3
149.02339	1.0
155.07036	1.0
156.07372	0.7
161.05997	7.1
162.09299	0.4
165.05482	63.7
165.09109	1.8
166.05783	2.9
179.07028	0.4
181.04956	0.6
182.05266	0.8
182.11757	0.8
193.08600	4.7
204.13881	0.6
205.14204	1.1
206.14490	0.5
211.09708	0.7
211.14545	0.4
227.09062	0.9
228.09497	1.8
229.15359	0.5
236.16539	0.7
267.65228	0.3
292.19061	1.1
326.31863	0.4
389.21545	1.9
390.17438	1.3
390.22617	12.1
391.15768	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	390.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77377	0.8
54.94188	0.9
55.01866	1.6
59.05048	1.1
66.43313	0.8
69.03426	0.8
69.07056	1.4
69.46511	2.5
69.46907	1.7
74.06072	3.1
79.31369	0.8
81.07063	1.1
83.86998	0.9
86.09706	24.1
89.03905	1.7
91.05460	3.6
93.07035	2.6
95.04961	1.3
95.08546	0.8
103.05461	6.9
105.06938	1.3
107.04949	3.8
117.03371	2.5
119.04910	1.9
121.06493	15.4
123.04439	5.4
126.05507	0.9
131.04938	13.8
134.03644	1.6
135.04436	1.5
137.05951	5.6
141.39433	0.8
145.02840	3.3
147.04387	2.9
147.16284	0.8
149.02312	1.2
149.05977	20.4
150.09137	1.4
155.07094	1.6
159.04420	12.2
161.05948	2.7
163.03955	2.5
165.05461	4.1
167.07037	21.7
168.07329	0.9
177.05470	100.0
177.72635	0.9
178.05844	4.1
180.70033	0.9
182.11725	2.3
191.07033	4.0
193.08578	1.9
194.05782	1.9
195.77284	0.8
204.13873	2.8
205.14218	2.4
208.07390	1.2
209.08089	47.3
210.08388	2.1
223.09682	1.7
227.09116	7.2
228.09889	0.8
231.47089	0.9
239.13989	2.0
247.12872	2.8
251.09103	3.0
269.10156	8.9
292.18985	1.9
389.21805	4.5
390.18002	5.0
390.22513	24.3
391.15573	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	390.176
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28661	0.3
69.84596	0.2
70.95838	0.3
75.21859	0.3
77.03916	0.4
77.79956	0.2
86.09700	0.6
91.05485	2.9
93.07053	5.2
95.04971	1.0
98.97578	0.3
103.05480	3.1
105.04478	0.3
111.95375	0.3
118.98875	0.3
119.05013	0.3
121.06506	100.0
121.14146	0.3
122.06832	3.2
123.04424	1.2
132.93596	0.3
137.05983	1.9
138.09140	29.9
139.09470	1.0
152.07033	0.4
154.08669	0.8
155.69527	0.2
189.76926	0.3
191.57684	0.3
227.58994	0.3
236.11122	0.3
245.46426	0.3
251.03035	0.3
288.81488	0.3
390.15823	0.3
390.22574	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24275	1.4
50.36688	1.3
51.24218	1.2
55.01878	4.2
61.02918	2.6
64.54472	1.3
69.03444	3.5
69.44460	5.0
79.05501	5.2
82.01933	1.3
85.02900	12.9
86.09715	3.4
89.03963	1.7
91.05486	4.8
95.04987	7.5
97.02889	3.2
98.22758	3.2
103.05457	7.7
105.03400	1.6
105.07033	48.9
106.07378	3.0
107.05000	1.8
108.92998	1.3
115.05463	10.7
118.04179	5.7
119.04955	5.6
121.06499	2.3
123.04440	38.0
124.80152	1.6
133.06502	46.2
143.06082	4.3
145.04951	3.6
149.05974	2.9
151.07559	4.1
153.05466	2.6
161.05983	100.0
162.06361	3.8
165.05481	19.3
168.07730	1.9
179.07056	1.4
180.08711	3.3
193.08617	72.1
193.10403	3.4
194.08983	3.2
196.07184	1.8
200.40363	1.5
211.09631	14.7
389.99933	1.8
390.22388	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	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	27.7
71.46728	1.0
71.95268	1.6
78.70993	1.1
79.05499	5.7
80.94821	2.0
81.07074	1.3
91.05476	2.9
93.07043	1.0
95.04957	1.3
97.96818	2.9
98.97577	2.4
100.29466	0.9
105.07014	2.2
107.08569	3.1
109.06590	1.0
109.10166	1.1
110.97534	6.3
115.97800	1.4
123.01193	1.5
128.98615	7.5
133.10121	5.0
137.02820	1.4
139.00684	1.0
143.00180	1.6
146.99644	2.4
149.02333	2.8
151.11162	1.7
153.02203	1.4
155.03734	1.7
157.01736	1.1
161.01331	1.1
161.09554	2.1
169.01889	0.9
171.03287	2.9
173.04832	3.4
175.02829	1.8
179.10681	3.0
185.04848	3.4
189.04367	3.0
191.05942	1.5
199.06421	7.5
201.04277	1.7
201.07985	1.6
203.05885	5.1
205.01770	1.6
205.07489	3.1
210.02000	1.3
211.06429	2.0
211.13269	3.8
213.07965	2.6
217.07497	7.4
223.02962	4.6
223.06403	1.3
223.08430	2.1
225.04382	1.7
225.08046	3.0
227.05838	1.6
227.09572	1.5
229.14430	1.9
231.09003	3.4
237.07953	1.4
243.08978	9.2
253.11143	2.0
255.08968	2.8
257.10641	1.6
261.10101	4.8
262.08804	2.1
268.09760	0.9
269.10645	3.3
273.10110	1.8
279.09039	3.9
280.09805	4.4
297.10172	2.7
298.10858	2.6
303.11502	1.0
313.14609	1.3
321.17297	1.4
331.09399	3.3
331.15787	73.9
332.16150	4.1
349.16846	100.0
350.17212	8.6
355.18497	2.3
367.17892	41.6
368.18234	2.6
372.18439	12.9
373.18402	1.4
390.19073	3.7
390.22604	4.6
391.20065	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	14.3
57.64443	0.5
69.40153	1.7
69.40555	1.1
73.19662	0.5
77.66672	0.6
79.05474	1.3
80.94851	1.5
81.07046	0.9
91.05486	1.1
93.48977	0.5
95.08609	0.7
97.96843	1.0
98.97564	2.7
100.08762	0.7
107.08608	0.8
110.97566	4.2
112.99198	0.7
114.09388	0.6
115.00684	0.7
116.98610	1.7
123.01247	0.7
123.17307	0.6
128.98605	4.2
133.01764	0.5
133.10199	0.6
137.02762	0.7
141.02187	0.6
143.00157	1.2
145.01662	0.7
146.99655	3.7
153.02228	1.2
155.03784	0.8
157.01762	0.9
161.01192	1.3
162.12827	0.6
167.03790	0.7
171.03305	2.5
172.04118	0.7
173.04848	0.7
181.05357	0.9
183.03258	0.9
183.06915	0.6
185.04857	3.8
186.71487	0.6
189.04364	1.2
191.05878	0.7
193.01953	1.0
197.04877	1.0
199.06480	2.9
200.11775	0.7
201.07930	0.7
203.05939	3.4
205.01900	0.8
205.07541	2.5
205.14186	0.9
209.04897	0.7
211.02766	1.2
211.06401	1.8
212.03336	0.6
213.08029	1.6
217.07491	2.0
221.08392	0.7
223.02766	1.5
223.06430	1.0
223.08430	1.4
224.03604	0.7
225.04343	0.7
225.07944	1.0
229.07491	1.9
231.09041	3.0
237.04451	2.8
237.07932	1.2
239.09554	2.2
241.07516	1.1
243.09041	2.6
249.08110	0.9
251.05872	0.9
252.06665	0.7
255.05331	1.1
255.09093	3.7
257.10648	1.0
261.10165	0.7
267.08948	1.7
273.10208	0.9
280.09787	2.8
281.10568	1.1
293.07086	1.1
298.10770	1.2
305.14163	1.7
311.08072	2.2
311.11539	0.7
323.15289	1.4
331.15775	30.0
332.16132	2.2
339.14758	0.8
349.16852	100.0
350.17245	8.4
355.18671	1.6
367.14130	9.8
367.17960	16.4
368.14185	1.2
368.18280	1.8
372.18289	3.2
383.55283	0.7
385.15320	4.0
390.15173	0.9
390.22522	7.9
391.20596	1.1
391.26810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
63.60561	0.5
68.76466	0.6
69.43046	3.0
72.08156	1.7
81.89250	0.6
84.04517	1.4
84.08146	1.8
86.09690	2.1
91.05491	3.6
93.07053	4.7
95.04968	1.6
98.97579	0.8
103.05467	2.3
121.06507	100.0
122.06853	3.9
123.04436	2.2
123.60621	0.5
127.94876	0.6
129.10272	0.7
135.04433	1.2
137.04782	0.6
137.05934	3.7
138.09140	31.3
149.02373	2.8
152.06995	0.6
154.08667	1.0
163.03839	3.2
164.04195	0.7
165.05457	0.7
292.19223	0.8
304.33154	0.6
358.37427	0.7
390.22580	5.4
391.23288	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2278
Annotation	11(S),12(R)-Dihydrostemofoline
Peak:m/z	Relative Intensity
55.01870	0.6
55.05516	0.5
56.05037	0.3
58.66742	0.2
60.35869	0.2
67.05496	0.5
68.05022	0.2
69.03430	2.7
70.06595	3.3
71.05000	1.9
71.08635	0.3
79.05495	1.1
80.05009	0.9
81.07056	3.3
83.04965	0.4
84.08122	1.2
86.09710	0.2
91.05477	1.1
93.07059	1.3
94.06584	1.0
95.04987	0.4
95.07397	0.2
95.08601	1.0
96.05745	0.3
96.08131	1.1
97.02860	1.0
97.06530	0.4
97.08899	0.3
98.06038	0.2
99.04465	0.3
100.07615	0.2
104.30154	0.2
105.07022	1.0
107.08607	1.5
108.08146	0.3
109.06506	1.1
109.10104	0.2
110.09660	1.1
111.08069	1.0
112.07619	0.2
117.07024	0.3
119.08593	0.8
120.08099	0.6
121.06489	0.4
121.10186	0.3
122.09672	3.3
123.08089	0.7
124.08851	1.0
124.11234	0.6
125.06007	0.6
125.09614	0.3
126.09133	0.3
128.07077	0.4
131.08572	0.4
133.10132	0.5
134.09691	0.3
135.08063	0.6
136.11189	1.5
137.05974	8.6
138.09102	0.3
141.38544	0.2
145.10104	0.4
147.08144	0.2
148.11208	0.3
149.02339	1.1
150.09117	2.5
150.10074	0.2
150.12781	0.4
150.95929	0.2
152.10727	0.7
154.12299	0.5
156.10172	0.2
159.11734	0.3
160.11275	0.2
161.09743	0.2
162.09293	0.2
162.12741	1.1
164.14377	0.5
166.08681	0.2
166.15923	1.3
168.10165	2.5
173.09602	0.2
175.11247	0.3
176.14284	0.3
179.16644	0.2
180.10309	0.3
182.11743	5.4
184.13347	0.9
190.15961	0.4
192.13802	0.3
193.08690	0.2
194.15413	0.9
198.31461	0.2
203.10736	0.2
218.15358	0.3
221.11673	1.9
222.15123	0.2
234.14835	0.5
234.24358	0.3
236.16441	5.9
237.16901	0.4
264.19565	2.2
265.20007	0.2
272.04474	0.2
274.18185	0.3
278.17569	0.5
290.17596	0.4
292.19049	7.1
293.19571	0.3
316.19089	2.8
321.67734	0.2
372.21838	0.3
390.22733	100.0
391.23077	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.2
65.36891	1.3
67.05495	3.5
67.19685	1.3
68.26686	1.1
69.03426	2.1
69.07083	8.4
71.04990	5.7
71.45615	1.2
79.05463	3.5
80.93144	1.2
81.07070	10.5
83.08608	4.6
85.02891	2.8
91.05478	11.9
93.07042	4.6
95.08611	10.1
100.11263	1.9
102.02723	1.2
105.07038	20.4
106.07381	1.8
107.08592	17.6
109.10133	1.4
110.07204	1.6
111.04438	1.3
111.83262	1.3
117.07034	3.9
119.08582	100.0
120.08904	2.8
121.10157	3.0
123.11688	2.0
127.03947	1.9
131.08524	1.9
133.10129	19.1
145.04971	1.4
145.10112	2.2
147.11632	2.9
149.02341	5.3
175.14827	72.1
176.15167	4.1
178.21530	1.1
182.15431	1.9
205.14075	1.4
206.14326	1.3
210.14948	2.1
215.09134	3.1
221.52124	1.4
233.10292	3.3
321.01663	1.5
321.85327	1.3
390.22495	30.6
390.27490	2.7
391.21515	1.7
413.07687	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	17.0
56.21925	2.6
57.03429	3.1
57.07070	4.1
58.06584	8.3
66.11943	2.3
67.05507	20.8
69.07069	19.9
70.06582	10.2
75.58557	2.2
77.49940	2.2
79.05482	3.1
81.06632	3.1
81.07057	28.5
81.82372	2.3
83.08599	10.5
85.06499	2.9
87.00848	3.2
91.05480	3.8
93.07025	8.7
95.04914	2.9
95.08620	20.6
97.10129	5.7
100.11220	3.0
107.08578	5.8
109.10133	10.5
119.08533	4.0
121.10152	4.2
123.11732	5.9
135.11702	6.0
145.10025	3.9
145.84608	2.5
149.02316	12.0
149.13217	3.7
205.19577	2.9
207.09677	2.9
224.23711	75.2
225.24068	4.7
240.23215	86.7
241.21512	9.2
241.23650	2.9
242.24788	21.0
243.24927	3.9
250.21606	10.5
258.20682	3.3
258.24280	11.7
268.22617	13.0
286.23764	13.6
304.24847	5.9
346.25522	5.6
348.08206	2.5
372.23737	22.6
390.24710	100.0
391.20786	13.0
391.25107	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	390.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03997	2.2
55.05502	6.2
57.07076	2.7
67.05495	4.4
69.03416	3.8
69.07066	7.3
71.46191	2.7
76.77219	2.4
79.05497	9.7
81.07053	24.4
83.08623	2.8
85.02920	4.9
85.06532	2.5
91.05493	11.7
92.39465	2.3
93.07047	37.5
95.08614	20.8
99.08102	2.7
105.07034	22.9
107.08593	46.8
109.06531	4.0
109.10143	6.8
109.99843	2.0
114.63197	2.2
117.07018	3.2
119.08583	63.7
120.08878	3.2
121.06499	3.0
121.10148	3.0
123.11705	6.3
133.10135	56.6
135.11702	92.0
136.12042	2.7
137.09622	2.8
147.11691	6.5
149.02357	8.6
163.73088	2.3
175.14822	100.0
176.15170	4.5
193.15878	35.5
211.16893	4.1
256.18115	2.1
342.17532	4.9
344.22580	2.8
390.23108	15.3
390.27216	4.3
403.49326	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	391.1576
Annotation	Chidamide
Peak:m/z	Relative Intensity
50.68940	0.5
51.00034	0.5
55.49630	0.4
56.11224	0.4
63.70281	0.5
69.73830	1.9
72.06038	0.5
85.02881	0.5
92.92416	0.5
98.22686	1.0
105.07018	1.2
106.07365	1.2
107.08663	0.6
112.19373	0.6
113.02421	0.5
123.04438	0.8
133.06508	1.3
134.06851	2.3
149.02348	3.6
155.03029	0.7
161.06001	2.9
161.29274	0.5
162.06310	4.1
169.04968	0.6
171.76723	0.5
193.08658	2.3
194.08931	2.5
199.06319	0.6
199.27231	0.5
211.09747	0.9
225.07991	0.6
229.10455	0.5
252.47311	0.5
259.11523	1.8
306.38843	0.6
391.15744	100.0
392.16156	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	391.194
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
51.47639	0.2
56.16569	0.2
62.17896	0.3
66.00488	0.2
69.28441	1.5
77.05841	0.2
77.69367	0.3
81.07045	0.3
81.47591	0.3
85.02901	0.2
86.20625	0.2
87.58247	0.2
98.23476	0.5
109.10190	0.3
138.21252	0.3
149.02344	2.3
156.08827	0.3
168.46767	0.3
186.34001	0.3
203.43013	0.3
211.16849	0.2
229.14137	6.3
230.14299	0.5
347.05688	0.3
391.19357	100.0
392.11545	0.4
392.19687	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	391.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44987	0.5
56.15969	0.5
62.06088	0.8
69.46430	1.6
69.46792	0.9
70.66681	0.5
81.07042	0.6
117.06982	0.6
134.52831	0.5
149.02327	3.8
214.99792	0.5
236.28613	0.6
317.17218	0.8
373.23346	0.7
391.20804	100.0
391.24725	55.8
392.20221	7.7
392.24799	7.2
409.19006	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.6
53.03936	1.0
55.01651	0.6
55.01875	6.9
60.01015	0.5
63.02365	1.2
65.03941	5.3
67.05493	0.9
69.07049	2.3
69.10251	1.3
69.10661	3.0
77.03928	3.9
78.04708	0.6
79.05500	5.1
81.03391	0.9
81.07043	3.8
84.08139	0.6
86.09711	51.2
87.10046	0.9
88.07639	0.8
89.03918	15.5
91.05486	55.9
92.05812	1.6
93.07037	3.9
95.04935	1.4
99.46445	0.5
103.05461	4.5
103.12337	0.8
104.06258	3.9
104.06831	0.6
105.03398	22.9
105.04498	1.3
105.07025	2.1
106.03719	0.5
107.04951	1.6
109.06537	0.8
115.05460	45.1
116.05777	1.0
117.07022	18.4
118.07357	0.8
119.08585	16.1
121.06477	0.7
128.06215	2.1
129.06987	3.2
131.04921	0.8
132.05699	2.7
135.11720	0.9
143.04924	100.0
144.05264	3.4
145.06483	7.1
146.11734	0.5
147.08052	65.2
148.08401	2.4
149.02328	1.0
165.10197	0.6
227.15408	0.7
228.13864	10.7
232.16995	9.7
233.17314	0.6
245.16502	16.6
245.18907	1.2
246.16818	0.9
249.19637	10.8
250.17838	0.7
271.09888	0.6
271.14417	8.6
275.17517	6.2
295.52927	0.6
317.24753	2.5
373.22778	2.3
391.23840	43.5
392.24225	3.9
405.41342	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07042	1.0
66.33115	0.6
70.06596	0.9
79.05491	1.0
81.07043	1.3
88.07683	0.7
91.05477	1.7
93.07056	1.2
95.04965	1.6
95.08618	1.2
105.07031	2.4
119.08565	1.0
121.10116	1.0
131.08478	0.8
132.10199	1.0
133.10143	0.7
145.10146	1.6
149.02342	2.9
157.10072	1.5
159.11667	0.9
169.10112	0.8
183.11841	0.9
218.69159	0.8
249.76439	0.7
276.88336	0.7
284.29608	1.1
328.32138	1.1
328.79712	0.8
329.32339	0.8
390.35736	2.3
391.24551	100.0
391.35684	2.8
392.24783	8.5
398.49002	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85272	0.8
66.69011	0.6
67.54041	0.6
69.77879	2.3
72.74919	0.6
78.26305	0.6
87.57738	0.6
98.97573	0.8
116.98622	0.7
143.59103	0.6
149.02322	4.8
259.59637	0.6
283.74893	0.6
342.18402	0.7
350.17389	0.8
362.13406	0.6
373.23538	0.8
391.24536	100.0
392.24832	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	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	1.3
57.07074	0.6
65.37390	0.4
69.62611	1.3
69.63005	1.0
70.06595	1.4
71.08641	0.5
72.05763	0.5
77.94767	0.5
80.94843	3.5
86.09695	0.6
87.76731	0.5
88.07632	0.6
93.07083	0.9
98.22734	0.6
102.00369	0.5
116.20776	0.5
132.10231	1.0
146.11737	0.6
149.02350	2.5
241.72760	0.5
242.84016	0.5
315.16022	0.6
328.31729	1.1
329.32529	1.0
332.15701	0.5
350.17209	2.3
355.18738	2.4
368.18140	3.1
369.19348	0.7
373.12091	2.4
390.35681	3.1
391.24551	100.0
392.24896	7.9
414.46521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07072	0.4
67.05512	0.4
68.41904	0.4
69.07063	0.5
81.07075	0.5
91.05450	0.3
107.32418	0.3
130.64209	0.3
147.08014	0.6
149.02394	1.1
155.01112	0.4
279.70541	0.4
354.36261	0.4
391.24564	100.0
392.24881	8.6
392.29993	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	2.3
62.71986	2.2
71.46253	2.7
72.27540	2.3
80.94839	2.2
93.07055	2.5
95.08614	3.5
99.04431	2.6
105.07047	2.6
121.10210	2.2
132.10211	3.3
145.10075	2.3
146.12743	1.9
149.02391	12.0
149.09572	2.7
171.88699	2.4
179.71860	1.9
182.81702	1.8
233.55264	2.0
252.49620	2.1
285.12296	2.1
333.17172	3.9
338.24783	2.5
351.18399	12.1
368.07870	2.3
368.94601	2.1
369.19531	8.7
390.35632	2.9
391.24561	100.0
391.35941	2.7
392.24667	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	391.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96586	0.3
62.59742	0.3
69.64953	0.4
69.65331	0.4
90.12128	0.2
95.02052	0.2
98.23416	0.5
149.02371	1.2
151.41953	0.2
177.83945	0.3
184.78029	0.2
257.29584	0.2
260.12631	0.3
275.05325	0.3
297.93842	0.3
321.16879	0.4
350.17197	0.5
351.18369	0.4
368.18402	0.8
369.19388	0.5
391.24539	100.0
392.24847	8.0
404.17679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60198	0.9
56.96564	1.9
57.07066	1.6
69.84544	1.5
70.06600	4.7
80.94857	1.0
86.09667	1.1
88.07623	1.6
93.07037	1.0
106.42849	0.8
116.83753	1.0
117.07101	0.9
119.08606	1.7
132.10176	1.3
146.11707	1.0
149.02354	4.9
168.56050	1.1
213.07933	1.2
216.96962	1.0
284.29449	1.8
314.00549	0.9
328.32132	3.7
329.32339	3.1
351.18436	5.9
355.18222	0.9
369.19434	9.5
390.35663	7.0
391.24539	100.0
392.25058	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97927	0.3
67.34202	0.3
74.81031	0.3
90.66663	0.3
91.05482	0.3
105.07038	0.3
109.19321	0.4
126.65587	0.3
147.08052	0.4
149.02367	0.4
150.34764	0.3
233.64706	0.3
391.24545	100.0
392.24823	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	391.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97852	0.6
56.96550	1.1
57.09710	0.6
68.02045	0.7
71.34589	0.6
71.46207	0.7
80.94846	1.3
81.07058	1.0
98.97589	0.6
135.88814	0.6
147.24101	0.5
149.02373	3.4
152.24324	0.6
160.82983	0.6
212.08960	0.7
213.09787	1.6
230.09836	0.8
231.10953	0.8
323.20697	1.6
333.20645	0.8
350.17328	1.6
351.18280	1.0
355.18533	2.7
368.18021	1.6
373.23428	1.4
391.24527	100.0
392.24762	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	391.2455
Annotation	Juruenolide E
Peak:m/z	Relative Intensity
55.63306	0.6
59.87128	0.6
61.15565	0.6
62.50589	0.6
70.22456	0.6
70.74650	0.8
74.24990	0.6
78.72869	0.5
123.75864	0.6
149.02377	1.2
150.30530	0.5
150.92230	0.5
391.24561	100.0
392.24799	8.6
404.37006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.05479	9.1
57.07057	4.4
61.17631	2.2
63.02354	2.5
65.03910	5.1
66.66628	2.1
67.05485	6.7
69.07064	4.9
70.06564	3.0
71.46275	2.3
79.05497	15.1
81.07059	25.5
82.47797	2.3
83.04962	2.8
84.08123	3.8
86.09703	23.9
89.03905	4.1
91.05475	37.4
93.07052	26.8
95.04973	27.4
95.08609	13.8
97.06503	4.4
103.05434	4.6
105.04468	2.8
105.06374	2.7
105.07026	45.2
107.08582	13.4
109.06463	6.5
109.10122	5.2
115.05447	24.5
117.07012	29.6
119.08582	37.6
121.06449	8.9
121.10153	13.6
128.06137	7.5
128.91325	2.1
129.07011	10.9
130.07755	5.3
131.08548	11.1
133.10057	8.3
135.08011	3.7
135.11694	4.0
141.06938	4.1
142.07803	13.5
143.04927	32.5
143.08537	16.6
144.09244	3.1
145.06502	51.4
145.10130	27.7
146.06726	3.3
147.07988	4.3
147.11618	7.5
149.02306	4.7
154.07701	2.7
155.08505	8.5
156.09242	9.3
157.10143	22.8
159.07961	4.0
159.11598	9.9
161.09561	6.2
163.11102	2.4
165.06914	3.5
167.08450	6.8
168.09174	3.9
169.10139	14.0
171.11716	11.7
173.09607	4.9
173.13174	9.8
175.11131	3.1
175.14685	3.4
179.08444	8.1
180.09256	5.2
181.10027	9.6
182.10849	3.8
183.11560	8.5
184.12154	3.0
185.13185	3.2
187.11128	3.3
187.14700	4.1
192.09242	3.3
193.10101	11.9
194.10767	6.4
195.11662	13.2
196.12418	2.3
197.13152	7.0
198.13702	3.5
199.14690	5.9
205.10062	3.3
206.10733	3.5
207.11713	13.8
208.12383	5.2
209.13300	12.2
211.14690	6.9
213.12578	3.1
215.14409	2.7
219.11505	2.9
221.13092	8.5
222.13976	2.6
223.14725	6.5
228.13795	10.9
230.15405	17.9
231.15567	3.3
233.13274	5.2
233.15318	4.9
234.13779	3.8
235.14658	7.8
236.15703	2.7
237.16295	5.2
245.13068	4.2
247.14775	5.1
247.17758	2.4
248.15518	2.8
249.16154	8.7
249.18605	2.4
261.16211	2.9
263.17810	6.4
267.17328	4.1
275.18015	4.0
279.17426	3.5
281.18777	2.5
282.19711	6.1
297.18384	4.5
329.32272	4.8
332.20956	2.4
335.19769	5.2
373.25082	9.8
391.15433	3.8
391.24698	100.0
391.35712	10.2
391.47171	2.2
392.25253	9.7
392.30911	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	391.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97464	2.4
55.05518	14.4
57.07072	6.7
67.05500	27.3
68.38475	2.9
69.07066	29.5
71.46701	3.8
79.05500	15.5
81.07057	67.0
83.08629	15.9
88.72071	2.5
91.05482	17.1
93.07043	31.7
95.08606	69.2
97.06531	3.7
97.10186	6.5
98.98465	6.5
103.88608	2.7
105.07036	35.9
107.08595	41.2
109.10155	63.3
111.11726	5.3
117.07027	4.5
119.08578	39.4
121.10150	34.8
123.11718	23.1
131.08551	13.9
133.10120	24.6
134.06599	2.7
135.11697	27.7
137.13263	10.1
145.10133	20.1
147.11685	32.9
149.02338	9.9
149.13257	36.9
151.11183	5.7
155.01054	7.4
159.11734	13.4
161.13264	45.7
163.14803	16.9
165.12764	21.9
173.13261	18.0
175.14853	16.7
177.16440	9.2
179.14302	100.0
180.14648	7.1
187.14825	8.4
189.16414	13.2
191.14320	64.9
192.14691	3.8
193.15900	6.3
201.16472	8.6
203.18019	4.0
205.15924	11.3
207.17409	18.3
215.18001	11.8
219.17476	4.5
229.19479	3.8
231.21124	3.0
233.18977	4.2
245.22595	2.6
247.20645	4.5
259.24268	3.9
271.24200	33.7
272.24643	5.0
289.25229	80.8
290.25546	8.7
358.46255	2.5
391.24463	44.0
392.24734	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	392.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.0
56.96566	21.5
57.07047	1.0
67.05495	1.7
69.07079	0.8
71.95280	1.0
79.05505	0.7
80.94847	1.9
81.07067	1.5
83.08609	1.5
97.10161	2.8
97.96835	1.1
98.97591	1.4
109.10146	2.2
110.97568	1.7
115.00682	2.1
123.01183	1.1
123.73143	0.7
125.09629	3.0
128.98605	2.1
137.02744	1.1
145.01842	0.8
147.03380	0.8
150.02754	0.9
153.02283	0.9
155.03815	1.3
155.10747	1.1
157.12233	2.7
159.03340	1.0
167.03790	0.8
169.05412	0.9
169.06956	0.6
171.03291	2.2
173.04913	1.0
173.11826	5.0
175.06509	0.7
185.04848	2.3
188.25850	0.6
189.04355	1.3
189.08000	1.5
195.07014	1.0
199.06430	5.4
201.08031	1.6
201.11298	1.0
203.05989	2.2
203.09615	1.1
211.06520	1.2
213.08031	3.6
215.05937	1.3
215.09598	0.9
217.07466	5.0
219.08974	1.0
225.07964	1.9
227.09566	2.2
229.07533	1.8
231.09129	2.0
233.10583	0.9
239.09584	1.3
241.07471	1.4
241.10963	1.6
243.09001	3.6
245.10698	1.1
251.09468	0.8
253.11159	1.7
255.09048	2.5
261.10062	1.5
269.10559	1.9
269.14096	1.0
273.09827	1.0
281.10666	1.1
297.17575	0.8
305.18057	1.0
307.19446	0.9
309.17212	0.8
315.16428	0.9
333.17334	35.2
334.17624	1.7
351.18430	100.0
352.18793	7.4
357.20038	3.0
369.19498	69.1
370.19867	4.5
374.20093	10.3
376.26044	1.7
387.20203	1.1
392.20859	7.9
392.24820	16.5
393.21667	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	392.211
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	51.1
57.07077	1.2
64.85225	0.8
69.67322	1.8
69.67681	3.7
70.06589	1.0
71.95288	2.5
72.96024	2.5
79.05501	1.1
80.53257	0.9
80.94859	2.5
84.23843	0.9
86.09710	1.2
93.07041	1.0
97.96834	1.3
98.22675	1.9
98.97578	1.3
105.00163	1.8
110.97595	4.6
112.48370	0.9
115.00694	1.4
119.01744	1.6
128.98621	2.8
133.35851	1.0
137.02762	2.3
146.99622	1.5
153.02310	1.2
155.03825	2.9
159.03317	1.1
162.68515	0.9
164.80954	1.0
167.03757	1.8
171.03308	3.4
173.04877	3.2
181.05362	4.1
183.03337	1.9
183.06972	3.4
185.04839	4.3
185.08470	1.5
187.06349	1.3
189.04369	1.7
195.06975	4.1
199.06432	20.5
201.08006	7.1
203.05960	3.3
205.07527	1.4
211.06369	13.3
213.07999	35.7
214.08344	1.5
215.06071	1.3
215.09634	1.4
217.07481	17.6
219.09055	3.1
221.06915	1.2
222.07993	1.3
225.08023	3.3
227.09631	2.5
229.07489	92.1
230.07878	4.4
231.09048	32.7
232.09337	1.6
236.09557	3.1
239.09622	1.8
241.11189	1.3
243.09053	16.2
247.08546	59.0
248.09018	2.8
248.64011	1.1
251.09668	2.0
252.09052	8.8
254.10558	2.4
255.09013	5.2
261.10077	7.3
266.10788	1.5
267.09042	2.6
269.10654	8.2
270.10193	4.5
273.10059	2.1
285.10080	4.3
287.11630	2.1
305.17923	1.5
309.17349	1.5
333.17358	8.3
351.18433	50.3
352.18738	4.4
357.19955	4.7
369.19501	100.0
370.19897	6.6
387.20370	4.7
391.36276	2.6
392.20886	10.9
392.25211	23.2
392.36127	2.2
393.14221	1.4
393.25970	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	392.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.1
56.96571	14.6
57.07079	4.0
67.05491	2.1
69.27292	10.0
70.06588	3.6
71.95289	2.5
79.05493	1.7
81.07061	2.2
83.67087	1.8
91.05485	2.8
93.07051	2.2
98.22715	3.2
98.97600	2.4
105.07029	6.5
106.24323	1.7
107.08594	2.3
110.97550	8.9
111.98330	1.9
119.08595	7.5
128.98618	8.7
129.99425	5.7
131.08595	3.0
133.10165	2.9
141.99313	1.8
143.00217	3.9
145.10126	5.4
146.99669	6.7
148.00461	5.7
149.02301	2.5
157.10138	3.9
159.11644	2.2
160.00385	2.7
171.03320	4.4
171.11607	2.1
172.02652	1.8
182.99634	2.5
184.04028	1.9
189.04308	4.4
197.01193	6.4
199.06471	5.4
201.07962	1.8
203.05908	3.2
213.08041	3.7
215.02293	7.9
217.07489	4.3
227.05907	2.8
229.07408	8.5
231.09006	3.1
239.05942	6.6
240.06784	5.7
244.06229	2.2
245.06944	3.3
245.73186	2.0
247.08560	3.2
257.06970	18.3
258.07733	25.6
259.08179	2.8
275.08047	3.7
276.08832	13.3
288.01187	1.7
293.43524	1.8
309.17499	4.6
315.16214	2.9
333.17352	18.0
351.18417	61.0
352.18790	3.3
357.20074	4.8
369.19507	100.0
370.19888	9.2
374.19745	2.8
387.20447	6.1
391.36349	5.2
392.20535	17.1
392.25528	12.0
392.30887	1.9
392.35565	3.7
393.26071	25.5
393.30753	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	392.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01879	0.9
55.05514	1.6
57.03434	2.1
57.07077	7.2
61.02927	4.7
67.05508	4.2
69.03432	6.9
69.07058	4.9
69.94674	1.6
71.05001	1.0
73.02887	0.8
76.84332	0.7
79.05494	34.1
81.03414	2.5
81.07072	5.1
83.04986	9.3
83.08612	0.7
85.02908	28.9
86.03230	1.1
86.09715	1.8
91.03963	1.0
91.05486	3.9
93.07047	32.9
94.07395	0.8
95.04961	2.1
95.08611	2.8
97.02888	6.4
97.06533	5.5
99.04458	1.1
105.04451	0.8
105.07025	2.0
107.04991	5.2
107.08595	11.9
109.02884	3.1
114.01508	0.7
117.07023	1.5
120.08085	2.1
121.06535	1.9
121.10115	1.0
124.77038	0.7
125.05109	1.5
125.05987	16.9
127.03127	0.8
127.03912	4.1
131.08507	1.0
133.10129	10.6
135.11694	100.0
136.12056	3.7
139.07536	13.8
145.04962	6.0
149.02361	1.9
149.13280	8.7
151.11203	0.9
153.09099	2.8
153.12729	4.1
159.11761	4.0
177.12746	18.5
180.08714	1.9
195.13808	100.0
196.14088	4.0
213.14803	2.3
230.17522	1.1
392.24234	6.5
393.18973	1.3
393.23932	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	30.0
56.59958	6.0
57.03428	13.5
67.05505	36.7
69.03397	8.9
69.07042	8.6
71.05005	8.9
76.30924	6.7
79.05485	18.1
81.07055	29.7
82.03077	7.2
83.04959	7.0
83.08614	23.1
85.06562	7.1
91.05484	12.7
93.07035	24.0
95.04987	10.4
95.08610	26.2
97.06542	13.8
97.10151	22.4
105.07006	19.1
107.04951	10.3
107.08579	14.4
109.06511	61.9
109.10145	15.6
111.08083	33.3
119.08576	12.2
121.02863	7.1
121.06497	11.0
121.10120	12.9
123.04424	15.1
123.08064	21.0
125.06002	12.0
125.09641	23.5
131.08507	8.8
133.06482	7.8
135.08081	9.1
137.05972	14.4
137.09593	7.2
139.07561	18.6
147.08049	8.6
149.02328	15.2
149.05939	11.4
149.09631	7.8
150.02686	13.2
151.07487	30.1
155.10593	6.6
160.11420	6.1
167.07010	18.3
169.08647	16.8
171.32451	6.2
171.90654	5.7
173.11760	20.1
185.08070	20.0
189.11195	24.5
219.96922	6.0
247.16905	7.8
275.16437	56.1
279.15900	6.7
293.17502	57.7
303.15903	35.3
321.16971	100.0
322.17249	7.5
339.18015	62.9
340.18683	7.1
392.24313	83.4
393.24384	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	392.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	81.4
57.07078	36.9
64.26804	3.7
67.05505	29.8
69.07071	100.0
71.08646	16.3
79.05525	5.8
81.07054	38.5
83.08626	80.9
85.10194	7.3
95.08607	35.2
97.10168	73.5
98.98473	7.0
109.10149	21.6
111.11730	25.3
123.11732	11.9
125.13295	7.2
155.01059	11.1
268.51251	4.4
376.25861	4.3
392.24307	21.3
392.37729	6.8
392.42502	84.8
393.42758	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	393.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90450	0.4
60.42497	0.4
64.78545	0.4
68.85851	0.4
69.20652	2.5
71.62874	0.5
86.09701	0.9
96.91158	0.4
98.22622	0.8
120.08109	0.5
124.24345	0.4
185.04080	0.4
271.04233	1.6
307.11597	2.7
331.11734	0.9
343.64117	0.4
349.12585	25.3
350.12854	1.5
393.11548	100.0
394.11880	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	393.1886
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
67.05494	0.3
69.03448	0.3
69.26303	1.2
75.14423	0.2
79.05478	0.3
81.03414	0.3
83.80955	0.2
85.02900	1.0
87.00809	0.4
91.05511	0.2
93.07015	0.3
97.02882	0.8
97.06608	0.2
105.01877	0.5
105.79750	0.2
109.02879	0.5
109.10173	0.3
110.72405	0.2
111.08060	1.0
119.08589	0.2
121.06464	0.3
127.03954	1.0
127.34671	0.2
134.08124	0.2
143.08565	0.2
145.04987	0.4
152.09282	0.2
158.24719	0.2
159.02945	0.2
196.12425	0.2
197.15388	0.3
201.03690	0.3
203.05302	1.6
213.12576	0.5
231.13571	1.6
273.14630	0.2
290.71603	0.2
359.13492	0.2
393.18823	100.0
394.14734	0.3
394.19208	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	393.1885
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
52.27670	1.4
55.05471	1.5
69.13448	9.9
70.06586	2.9
97.06548	1.8
109.10167	1.4
148.70215	1.4
175.47176	1.4
216.52959	1.6
254.38228	1.8
333.06012	1.5
393.18747	100.0
394.19067	9.2
414.38925	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80884	0.2
95.08640	0.2
141.73183	0.1
147.04396	0.3
203.05278	0.6
231.13629	0.3
239.27753	0.2
393.18811	100.0
394.19193	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	393.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.7
57.07071	68.8
59.99098	34.0
69.07088	7.2
76.91071	7.6
81.07040	13.1
91.05482	19.7
93.07050	21.6
95.04948	18.5
95.08601	17.2
105.07031	35.1
106.25681	7.8
107.08594	14.6
109.10191	9.3
116.05310	79.1
119.08568	26.3
121.06544	10.3
132.49088	7.6
135.08022	21.6
145.10158	15.6
149.09673	10.2
172.11563	100.0
181.51785	7.8
191.14307	13.6
195.47980	7.8
204.08844	15.4
205.15842	32.4
223.43379	8.6
276.77658	8.5
308.52072	8.5
313.40448	8.0
376.25150	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	393.2095
Annotation	Phe Asn Leu
Peak:m/z	Relative Intensity
55.05495	0.4
62.39050	0.4
63.72596	0.4
65.09559	0.3
68.48933	0.3
69.03410	0.5
70.16842	0.5
70.17207	0.4
70.77682	0.4
72.08143	2.3
81.07050	1.1
83.06110	1.7
84.04512	1.7
85.02903	0.4
88.04292	0.3
98.56560	0.4
100.48023	0.4
109.06469	0.6
118.08635	1.0
120.08092	4.0
125.06004	0.7
133.10135	0.5
137.05969	9.1
156.10719	0.4
160.33997	0.4
175.76045	0.4
179.10683	4.1
186.09100	1.1
190.85327	0.4
197.11745	6.7
216.08855	0.8
230.12895	1.6
231.11319	1.0
245.47014	0.4
259.10620	0.4
283.26035	0.3
375.20337	1.0
393.20917	100.0
394.21317	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	393.2135
Annotation	Leu-Phe-Asn
Peak:m/z	Relative Intensity
55.05513	4.6
56.05035	4.9
69.68623	2.6
70.06593	2.4
72.08157	65.9
73.08485	1.2
78.59969	0.7
83.06106	50.7
84.04503	37.3
84.06451	1.2
85.04852	1.1
86.09689	3.5
91.05483	3.2
93.07017	1.5
101.07141	9.8
103.05486	3.0
118.08656	50.8
119.07330	2.0
119.09006	0.8
120.08105	100.0
121.08445	2.3
127.71478	0.7
129.06586	2.6
131.05022	0.8
139.08731	0.7
158.09688	1.9
166.08662	1.2
173.34914	0.7
185.16550	1.3
186.09157	24.9
187.09486	1.4
203.11800	4.2
230.12894	37.2
231.11279	33.0
231.12965	1.7
232.11620	2.1
248.13976	11.0
258.12372	12.7
259.10703	5.1
265.15500	3.3
276.13486	10.2
330.18057	1.2
358.17267	0.7
375.20270	33.6
376.19785	2.6
382.89810	0.8
393.21216	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.0
57.03440	3.3
57.07076	36.9
60.12194	0.7
67.05508	11.6
69.07066	6.8
69.77003	1.4
71.08275	1.4
71.08636	22.5
74.63018	0.7
79.05489	2.0
81.07058	17.5
83.08616	9.1
85.06544	0.8
85.10185	13.4
89.06022	5.5
93.07047	1.2
94.73728	0.7
95.08028	1.3
95.08611	22.7
97.10181	5.3
98.98467	56.7
99.11738	0.9
105.07037	1.1
109.10155	10.7
111.11736	2.1
116.99462	0.9
121.10091	0.8
123.11708	3.7
125.13246	0.9
133.08595	2.1
137.13257	2.8
151.14787	1.3
155.01039	100.0
156.01353	0.9
177.11281	1.0
179.18005	0.8
183.44849	0.7
195.12292	4.9
196.03809	1.2
221.22633	1.9
239.23724	11.1
376.25604	0.9
377.32410	1.5
393.24356	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	5.0
57.03438	5.0
57.07077	37.4
64.46416	0.7
67.05161	0.9
67.05508	14.9
69.07072	8.2
71.08633	26.1
79.05502	1.2
81.07059	17.9
83.08614	11.6
85.10183	13.8
89.06029	6.2
91.05453	1.0
93.07040	2.1
95.04961	1.1
95.08604	22.1
97.10185	5.0
98.98470	68.1
99.11711	0.9
105.07030	1.5
107.08614	1.9
109.10156	10.7
111.11706	1.0
116.99487	1.3
119.08549	2.6
120.95630	0.7
123.11713	5.5
131.08514	0.8
133.08603	1.8
133.10091	1.3
137.13235	2.9
138.13535	0.9
145.10143	1.7
155.01041	100.0
156.01363	1.7
157.10060	1.0
159.11731	1.6
195.12297	7.1
238.44328	0.7
239.23734	8.9
291.26334	0.7
308.61029	0.7
313.73114	0.7
376.25668	1.0
393.24182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	1.2
51.02377	1.8
53.03942	1.2
55.01875	8.6
65.03941	3.9
67.05515	1.7
69.03425	0.8
69.07065	3.6
69.60546	1.7
69.60897	2.1
73.88374	0.7
77.03937	4.1
78.04725	1.4
79.01851	1.0
79.05489	11.2
81.05605	0.8
81.07068	5.6
86.09709	72.2
87.10027	1.0
89.03890	1.7
91.05483	100.0
92.05804	3.0
93.07073	3.9
95.04989	3.8
102.04709	3.0
103.01791	1.0
103.05489	5.8
104.06276	6.9
105.03395	32.7
105.04474	1.6
105.07030	2.5
107.04978	2.4
107.08559	0.8
109.10172	1.1
115.05463	22.6
116.06239	3.6
117.07024	46.2
118.07341	1.7
119.08585	20.8
125.05976	1.4
128.06226	3.1
129.07007	3.5
132.05736	3.7
145.06488	99.4
146.06854	3.3
147.08047	91.3
148.08374	2.8
230.15407	17.0
231.15823	1.2
232.16943	13.1
233.17346	1.3
247.18080	25.0
248.18341	1.5
249.19626	18.6
273.16006	12.9
275.17545	7.5
303.47995	0.9
333.17303	1.6
351.18576	0.9
361.68732	1.1
375.24454	2.7
376.25919	1.6
393.25534	77.4
394.25754	7.4
394.33118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93416	0.3
57.07080	3.5
58.07411	0.8
67.87761	0.4
69.21948	1.2
69.22376	0.9
82.38116	0.3
86.09726	1.9
87.76832	0.4
89.03903	1.1
115.05463	2.8
121.01073	1.0
143.04927	7.3
145.34712	0.4
149.00560	9.6
150.00938	0.6
156.04817	0.4
190.47827	0.5
194.11121	0.3
207.11340	0.6
225.14259	0.4
251.12048	0.4
271.14386	2.2
308.19696	0.5
309.19995	1.7
310.66550	0.3
363.25354	0.3
375.24756	1.6
376.25748	0.7
393.26089	100.0
394.26471	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	393.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94663	0.4
69.72945	1.9
106.64731	0.5
144.89563	0.5
153.71039	0.4
260.03342	0.5
393.26093	100.0
394.26477	8.8
412.92245	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2618
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
54.54067	1.0
55.58311	0.8
56.58712	0.8
57.07070	1.2
69.89947	2.1
71.68990	0.9
86.09721	4.1
91.05486	11.0
115.05456	7.6
117.07026	11.6
119.08585	2.3
143.04927	1.0
143.28026	0.9
144.05226	1.3
145.06493	10.3
147.08073	3.6
247.18018	1.6
249.19547	1.2
393.26080	100.0
394.26462	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	393.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
57.07080	0.4
57.93927	0.4
61.84541	0.4
67.09954	0.4
68.51883	0.4
69.07067	0.4
70.22266	0.4
70.22610	0.9
80.94876	0.6
81.07067	0.7
90.46930	0.4
91.05444	0.5
93.07101	0.4
95.08622	0.7
109.10140	0.5
137.29094	0.5
149.00717	0.5
156.08246	0.5
165.27530	0.4
174.14417	0.4
286.10181	0.4
286.38309	0.4
352.18661	0.6
357.19852	0.5
370.19977	0.9
376.25986	1.2
393.26117	100.0
394.26492	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	393.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	0.7
67.05526	0.6
71.08625	0.6
72.76958	0.5
73.01081	0.5
81.07056	0.8
91.05473	0.7
93.07023	0.5
95.08614	0.6
105.07015	0.6
109.10143	0.4
114.34797	0.5
119.08675	0.5
188.96344	0.5
200.01251	0.5
306.55774	0.5
353.19974	0.7
370.19836	0.5
376.25891	2.0
393.26117	100.0
394.26501	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11615	0.3
71.22256	0.3
79.12743	0.4
82.94553	1.0
83.03732	0.3
122.90826	0.4
139.91296	0.4
225.95688	0.3
355.18353	0.6
393.26016	100.0
394.26419	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	393.2615
Annotation	Xenimanadin C
Peak:m/z	Relative Intensity
70.05944	0.3
70.73811	0.4
79.46266	0.4
80.94865	0.4
90.42547	0.3
109.46198	0.3
118.60996	0.4
217.78470	0.3
311.70602	0.4
332.77823	0.3
393.26117	100.0
394.26501	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	393.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	8.0
55.01869	5.3
55.05510	24.5
57.07081	43.7
59.05017	4.3
67.05502	39.4
69.07065	32.0
69.61593	4.9
69.61976	9.3
71.08629	28.2
77.03934	3.3
79.05497	46.6
81.07056	74.7
83.04965	6.9
83.08623	14.6
85.10184	18.4
89.06032	19.2
90.68598	3.8
91.05483	65.5
93.07050	88.6
95.04971	67.4
95.08606	73.6
97.06521	17.9
98.98478	27.2
99.11721	4.3
105.04500	3.2
105.07030	100.0
106.07342	5.6
107.08605	52.8
109.06528	20.0
109.10163	31.7
115.05418	4.9
117.07030	25.4
119.08585	97.7
121.06501	30.8
121.10146	48.1
123.11714	18.3
128.06221	10.3
129.06996	17.7
130.07777	7.3
131.08582	39.3
133.06445	4.0
133.08627	7.0
133.10127	53.6
135.08023	11.8
135.11670	22.9
141.07001	8.8
142.07793	20.2
143.08569	38.9
144.09338	10.8
145.10130	76.1
146.10495	4.9
147.08098	4.3
147.11674	25.1
149.09604	5.5
149.13298	6.6
154.07680	4.6
155.01018	47.5
155.08574	14.9
156.09344	14.7
157.10126	54.6
158.10834	6.9
159.08138	5.8
159.11691	47.2
160.51088	3.6
161.09621	15.9
161.13292	9.4
163.11174	4.2
164.70634	3.9
165.06982	4.4
167.08572	6.0
168.09328	7.4
169.10089	24.6
170.10878	8.0
171.11668	26.1
172.12395	4.4
173.09776	3.9
173.13292	24.1
175.11200	15.9
175.14819	19.4
177.11182	4.5
179.08592	6.0
181.10182	8.8
182.10931	6.1
183.11642	21.7
184.87144	4.0
185.09659	7.5
185.13258	15.5
187.11244	8.9
187.14848	12.0
191.14320	4.5
192.09259	5.3
193.10089	5.1
195.12146	23.8
196.12462	6.2
197.13214	16.8
198.14027	3.3
198.89095	3.4
199.11261	4.0
199.14807	9.4
201.16409	13.5
203.27657	3.6
206.10968	4.1
207.11729	6.2
208.12439	4.9
209.13281	16.3
211.14899	10.2
213.16550	4.5
215.14308	4.3
219.17354	4.0
221.13301	10.1
223.14803	6.0
225.16486	6.6
227.14436	4.0
239.23590	6.0
251.17825	5.7
253.15968	5.3
253.19453	4.1
295.20728	4.4
304.26437	20.8
376.26160	6.6
377.32565	16.2
393.27792	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	394.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.9
54.03164	2.9
55.01867	11.2
57.03425	7.9
61.02927	7.9
66.37054	2.4
66.96786	2.6
67.05499	5.2
69.03432	29.6
69.07079	3.9
70.06608	2.9
71.04986	5.4
73.02909	10.6
78.95298	2.7
79.05530	3.2
81.03414	33.2
81.07066	4.8
82.07389	3.7
85.02404	5.1
85.02908	100.0
87.00340	4.8
87.00829	47.4
87.04415	2.5
90.41491	2.6
91.03963	3.0
93.07043	3.4
95.08580	3.7
97.02890	51.4
99.04434	21.3
100.11229	3.1
105.01868	61.7
105.02533	5.1
108.04485	14.9
109.02892	29.4
109.06490	3.0
109.10147	5.7
115.03912	2.7
117.01852	3.3
119.08607	2.9
121.10125	4.3
126.05512	6.4
127.03914	85.0
129.01819	3.9
129.09090	6.0
137.13254	4.2
145.04965	44.9
159.02884	20.6
177.03987	3.2
181.06665	2.5
197.15320	3.5
213.03879	3.4
230.88359	2.8
231.04991	17.9
248.07643	7.7
249.06027	3.1
266.08524	3.0
394.19089	10.4
394.34283	3.3
395.15723	5.2
395.20435	63.6
418.82953	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74197	0.7
54.00529	0.7
55.01644	0.7
55.01863	3.4
55.05510	1.7
58.39610	0.7
62.80603	0.7
67.05510	1.0
69.03445	1.2
70.06596	1.1
70.83390	1.2
72.08154	2.6
79.05494	1.9
81.03422	0.8
81.07065	9.4
83.06062	1.2
83.70280	0.6
84.04507	2.1
85.02909	3.5
91.05476	1.5
93.07054	1.2
95.05000	0.9
97.02899	1.2
98.22766	0.8
105.07043	1.9
107.08604	1.4
109.06522	6.7
109.10147	1.7
111.04397	0.7
115.10632	0.8
118.08674	1.2
119.08604	2.5
120.08113	2.8
121.06560	0.9
121.08432	1.4
125.05991	6.3
127.03936	4.1
132.03958	0.7
133.10136	2.9
137.05983	100.0
137.09552	3.5
138.06326	2.2
143.08582	0.9
146.05878	0.6
151.11200	1.7
161.09599	6.7
166.07689	0.8
179.10667	47.8
180.11064	2.0
197.11734	70.3
198.12045	2.3
210.98337	0.7
215.12921	1.0
364.35324	0.8
376.20853	0.9
394.21310	42.5
395.16959	1.3
395.21524	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	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47022	1.3
53.03942	6.8
55.01866	10.9
55.05516	8.9
57.03437	7.2
57.07090	1.8
59.10185	1.4
61.02914	5.2
67.05496	4.3
68.99778	3.2
69.03431	46.9
69.07069	89.2
69.30215	3.4
69.30615	6.2
70.06563	2.7
70.07394	1.3
71.04998	8.0
73.02917	7.9
79.05489	3.1
81.03425	30.7
81.07054	5.5
83.08619	3.1
85.02907	100.0
85.06543	6.1
86.09113	1.4
87.00836	41.3
87.04462	3.6
91.03934	3.4
91.05461	2.5
93.07041	6.1
95.04953	4.0
95.08611	3.6
97.02892	38.1
97.06505	2.0
99.04459	15.3
99.08163	1.8
103.03912	1.6
103.64519	1.4
105.01867	40.6
105.07024	5.6
107.08594	6.2
108.04459	1.9
109.02886	28.4
109.06506	2.9
109.10132	6.4
110.06017	2.1
111.04472	3.6
111.08086	22.8
111.11713	27.4
115.03893	3.7
117.01876	4.5
117.06956	1.5
119.08604	3.6
121.06488	2.2
123.11687	6.9
123.90657	1.4
124.86554	1.4
125.09640	1.9
127.03922	57.3
127.11205	9.9
128.04283	2.4
129.01837	3.5
129.12769	21.9
131.08546	2.8
133.10127	5.2
135.08044	1.7
135.11690	5.1
139.07574	7.3
139.11201	4.3
141.12727	11.0
143.08571	2.4
145.04974	29.3
147.02907	1.7
149.09659	1.9
151.11234	3.7
153.12671	2.1
159.02914	17.6
159.11638	3.3
161.09636	4.4
163.11151	1.9
165.12743	2.2
169.12228	8.0
170.15370	1.6
171.02916	2.2
173.13266	1.9
175.11237	2.1
175.96048	1.4
177.12752	2.2
179.10703	4.3
181.12198	2.0
195.13831	4.0
197.11723	2.1
198.15065	1.4
201.03876	2.6
201.12802	4.6
208.35718	1.4
213.04059	3.3
219.13808	10.9
231.05031	14.4
237.14912	14.7
248.07733	3.4
249.06055	2.9
255.15698	3.5
297.16998	4.3
323.14835	23.9
324.15155	2.6
341.15891	5.3
394.30991	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92540	1.8
53.03944	6.0
55.01873	7.5
55.05514	7.4
57.03417	4.9
57.07047	2.3
61.02923	8.7
66.77044	2.3
69.03429	29.4
69.07072	34.4
71.04995	6.0
73.02930	5.6
81.03417	20.5
81.07054	3.6
85.02905	100.0
86.09688	2.3
87.00834	43.1
87.01329	3.6
91.05497	2.0
93.07034	2.6
94.11090	1.9
95.08605	2.5
97.02894	31.4
98.22692	4.8
99.04456	17.1
100.11290	3.3
105.01868	76.9
107.08605	3.2
109.02877	25.7
109.10148	4.0
111.11723	5.5
117.01891	3.2
126.05539	2.4
127.03915	77.2
128.04271	2.5
129.01862	3.4
145.04956	43.5
147.02879	2.9
159.02875	14.4
168.13828	2.8
181.95807	2.1
182.15413	3.2
189.03970	4.6
191.65555	2.2
196.13390	2.9
197.15338	4.3
206.29884	2.2
213.03946	4.4
231.05008	29.7
249.06033	11.8
300.02844	2.0
394.18933	4.1
395.20227	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	394.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40152	3.2
53.03944	5.7
55.01870	8.6
55.05511	10.8
57.03430	10.2
58.36404	3.0
61.02929	6.2
65.80035	3.4
65.93573	3.3
67.05499	9.6
69.03432	36.5
69.07066	59.5
69.95313	7.4
69.95641	7.6
70.06583	6.3
71.04990	5.0
73.02919	8.3
79.05482	4.7
81.03424	34.9
81.07048	7.2
83.08624	7.7
85.02901	100.0
87.00832	43.8
91.05452	5.7
93.07054	6.3
95.04955	5.5
95.08596	4.1
97.02890	38.0
99.04455	15.8
105.01874	51.5
107.08582	6.5
108.04513	4.7
109.02882	36.3
109.10133	6.3
111.08102	3.8
111.11715	25.9
115.03903	7.1
119.08575	3.7
124.63573	3.3
127.03913	68.6
129.01805	5.1
129.12750	29.4
133.10127	4.0
137.06003	6.4
139.11310	6.1
140.10736	5.2
145.04971	36.2
147.11662	6.1
159.02873	22.6
189.03923	3.7
219.04979	5.3
231.04987	15.6
237.14899	10.5
323.14978	5.3
387.60931	4.0
394.25760	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
55.05510	15.3
57.07075	7.3
66.03698	6.0
69.03430	20.5
69.07072	100.0
70.06588	10.1
71.04971	5.8
71.46567	6.7
73.67535	5.9
81.03417	13.8
85.02911	48.9
85.10165	9.6
87.00836	21.2
93.46815	6.2
95.08609	7.1
97.02893	25.5
99.04420	11.4
105.01862	26.7
109.02879	11.4
109.10148	6.7
111.11718	33.0
119.08553	6.2
127.03903	38.1
129.12756	15.3
145.04971	21.4
145.60573	6.2
155.14383	10.4
159.02875	12.2
169.79494	6.5
231.04892	8.5
242.70348	6.5
254.17566	8.8
288.91681	7.1
377.19745	7.2
394.25977	19.2
395.20474	80.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	99.5
58.07443	2.2
69.07082	6.2
69.43770	8.4
71.08633	81.9
72.09006	1.9
73.06535	3.4
83.08633	2.5
85.10181	49.8
89.06036	100.0
99.11739	7.5
107.07074	6.7
113.13293	8.5
127.14827	4.6
133.08609	46.1
133.09555	3.0
141.68047	2.0
151.09622	5.6
177.11215	15.1
195.12289	89.8
196.12682	2.4
238.69211	1.9
271.26315	2.1
294.38043	2.2
377.32635	76.5
378.32846	6.9
390.27829	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.2
57.07076	71.5
58.07415	1.9
67.05526	2.3
69.07067	5.6
69.65187	5.5
71.08630	68.3
85.10179	35.4
87.04454	1.8
89.06030	100.0
95.08627	2.9
97.10178	1.8
98.22736	3.0
98.98486	5.8
99.11715	5.7
107.07090	5.7
109.10175	2.3
110.92877	1.4
111.11753	2.5
113.13294	5.1
125.13297	1.9
127.14879	4.3
133.08601	41.7
151.09671	4.5
155.01030	9.4
177.11200	13.9
183.21249	1.6
195.12276	86.1
196.12556	3.8
240.24060	1.4
271.26328	1.7
377.32608	75.8
378.32999	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	395.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20815	2.7
68.33043	2.8
70.06567	3.2
70.07343	6.9
76.49468	2.9
88.96658	2.8
98.97662	3.2
102.42551	3.0
119.12617	2.9
145.02791	3.2
147.04472	2.9
147.84229	2.8
188.40279	2.7
192.83923	2.9
208.56274	3.0
232.06992	6.4
233.07816	5.1
266.68958	3.0
280.20230	2.9
337.56686	2.8
346.66354	3.0
353.83572	3.0
394.25055	9.3
395.07343	25.0
395.13101	100.0
396.13385	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	395.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61336	5.4
51.16098	6.0
56.96568	14.1
67.05493	8.3
69.03452	11.7
69.07072	18.5
69.11853	41.1
70.06589	12.9
72.08171	17.7
79.05476	7.2
81.03419	7.1
81.07045	8.3
85.02901	22.1
85.06543	5.9
88.86414	5.4
93.07061	13.0
95.04969	8.7
97.02901	8.3
98.97585	52.4
107.04957	54.1
109.02894	9.3
110.97560	12.2
111.11724	9.6
112.60295	5.8
115.22111	7.5
116.98630	19.6
127.03920	15.9
128.98627	16.4
129.12733	8.9
131.00171	8.2
134.13553	6.0
143.00255	5.7
145.04990	5.7
146.99646	6.5
158.99602	6.4
162.92021	6.0
164.65680	6.3
177.00662	9.1
190.95456	6.8
207.03349	14.9
219.01794	21.8
237.02794	16.3
251.07251	7.6
266.58456	5.3
279.06512	6.9
290.65723	6.1
309.06528	34.5
327.07529	100.0
336.08673	11.1
350.09088	6.1
359.13770	6.9
369.08640	10.3
378.13419	38.9
395.07480	73.1
395.16364	80.5
395.21533	11.0
396.16406	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1127
Annotation	Chinensinaphthol methyl ether
Peak:m/z	Relative Intensity
56.62560	0.4
64.05285	0.4
67.05494	0.7
71.65723	0.4
75.04469	0.6
88.00172	0.5
121.26974	0.4
186.06657	0.5
190.07727	0.4
199.07793	0.6
202.07761	0.6
203.08551	0.5
207.08052	1.3
214.06310	1.1
217.06560	0.5
217.88521	0.5
218.07248	1.5
219.08055	2.9
220.08842	0.6
223.07521	1.2
229.08560	1.7
231.07988	0.6
232.08931	0.5
233.05963	1.4
233.09648	1.4
233.87373	0.5
234.06786	2.0
235.07538	3.9
236.08229	0.7
246.06818	1.6
247.07561	5.7
247.09824	0.5
248.08231	2.9
249.05521	0.8
249.09061	2.7
250.06255	0.9
250.09792	0.8
251.07082	0.8
257.08127	3.0
259.07556	0.9
260.08325	1.2
261.05463	1.1
261.09079	2.5
262.06284	3.7
262.09830	2.1
263.07095	6.7
263.09964	0.9
264.07678	0.9
265.08572	1.9
274.06299	1.3
275.07013	6.2
276.07736	4.2
277.08542	4.1
278.05768	4.3
278.09354	2.9
279.06546	1.5
279.09900	1.0
280.10678	0.6
281.11728	0.8
282.08749	0.6
287.06924	0.6
288.07706	1.0
289.05148	0.8
289.08578	4.5
290.05762	3.2
290.09375	4.8
291.06509	5.2
291.10086	2.4
292.07300	3.1
292.10776	1.0
293.08063	2.1
293.11749	3.8
294.08618	0.7
295.09680	2.5
302.05652	0.5
303.06549	1.9
304.07248	3.9
305.08032	7.1
306.05408	1.0
306.08789	4.9
307.06146	1.0
307.09543	2.1
308.10413	1.6
309.11099	1.3
316.07141	0.5
317.04568	1.1
317.08081	1.0
318.05432	0.6
318.08734	1.1
319.06067	1.9
319.09576	17.4
320.06909	0.8
320.10385	18.3
321.07532	4.2
321.11157	5.0
322.08237	1.6
323.12784	1.1
331.05869	1.1
332.06839	1.6
333.07516	3.7
334.08188	1.7
335.05618	0.7
335.09106	4.5
336.09888	10.9
337.10516	1.6
346.08374	1.3
347.09064	3.7
348.68475	0.5
349.06769	0.5
349.10672	0.8
350.07794	1.8
350.11490	3.4
351.08206	1.0
351.12250	10.6
352.12750	0.6
362.07761	1.5
363.08679	1.5
364.09384	5.6
365.10229	5.0
377.10178	1.4
380.09018	1.3
395.11255	100.0
396.11581	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	395.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	1.2
71.38051	0.9
83.30202	0.7
86.09702	1.0
87.11990	0.8
99.59261	0.9
112.87058	0.8
116.98603	1.3
117.11113	0.9
120.08102	5.6
126.98272	0.8
145.02895	1.0
147.04431	0.8
167.79016	0.8
177.05565	1.0
185.04231	2.6
192.09056	0.8
217.04669	1.1
232.07071	10.1
233.07808	6.5
234.11234	0.9
237.00815	1.7
250.17430	0.8
255.01730	2.6
273.02829	1.3
337.05698	0.8
364.11301	0.9
395.13107	100.0
396.08798	0.9
396.13177	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	395.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95723	0.2
57.32731	0.2
65.03934	0.8
67.05477	0.2
69.65696	0.4
70.06613	0.2
86.09715	3.9
91.05486	8.1
93.07050	0.2
95.08622	0.2
103.08926	0.2
103.11705	0.2
103.12351	3.4
107.08532	0.2
109.10145	0.2
119.04947	20.5
120.05284	0.4
121.06521	0.2
125.15963	0.2
129.10184	0.3
147.04410	100.0
148.04741	3.1
159.66252	0.2
231.14922	0.2
232.13338	1.2
249.15988	40.8
250.16327	2.3
275.13885	1.9
280.43710	0.2
316.44333	0.2
377.19055	0.2
395.19785	6.4
395.25037	0.2
396.16000	0.6
396.20172	0.5
418.57712	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	395.204
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
51.85390	0.5
54.33840	0.5
54.65142	0.5
55.68823	0.5
67.38849	0.5
69.07066	1.6
69.55980	0.8
69.56347	1.0
84.43453	0.5
85.02905	1.1
86.03235	0.7
91.77341	0.5
97.02922	0.6
98.22705	1.0
105.47110	0.5
111.11769	0.6
123.91852	0.7
127.03923	1.2
145.04950	0.6
242.80084	0.6
248.72491	0.6
395.20389	100.0
396.20685	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	395.2042
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
69.03429	1.4
69.07060	1.4
69.33997	2.5
70.80399	0.9
71.04974	1.1
78.17327	0.9
79.99911	0.8
81.03432	1.0
81.07023	1.7
85.02905	1.4
97.02886	1.1
98.57825	1.0
105.01911	1.3
105.07027	1.0
135.11784	0.8
141.06813	0.8
199.06891	0.9
203.05278	5.2
234.45447	0.9
377.19281	2.7
395.20392	100.0
396.20795	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	395.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05516	1.0
57.07077	2.1
58.19934	0.4
58.71003	0.5
59.04995	1.5
65.03950	0.8
67.05505	5.7
69.03433	2.1
69.07071	100.0
69.26080	2.2
70.07409	1.8
79.05499	1.8
81.07061	23.8
83.04965	2.4
86.09711	15.6
89.03915	2.4
91.05508	0.9
92.83466	0.6
93.07047	1.0
95.04964	2.9
95.08610	4.1
98.22686	1.0
103.12344	0.9
107.08604	4.7
109.06526	2.8
109.10168	7.3
115.05469	7.4
116.05823	0.6
120.21022	0.4
121.10156	1.3
123.08089	0.8
123.11711	28.0
124.12064	0.9
129.10191	0.6
133.10144	0.9
143.04922	35.7
144.05254	1.2
149.09630	0.5
151.11185	42.2
151.28874	0.4
152.11563	1.1
154.26962	0.5
199.75772	0.5
201.10556	0.4
228.13838	7.8
236.20160	1.1
245.16505	47.0
246.16852	2.2
253.22588	0.7
271.14438	4.9
279.20615	0.7
283.46432	0.5
327.20779	1.8
354.23270	0.5
377.25894	1.3
395.14111	0.9
395.26993	17.5
395.31003	0.6
396.27374	2.0
396.34616	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
55.05515	9.4
57.03431	9.2
57.07073	3.6
58.99583	3.1
61.01161	5.6
62.99083	1.9
67.05509	23.4
69.07059	3.9
71.04991	2.4
71.08632	12.8
71.47465	1.0
77.00639	3.0
79.05492	5.8
81.07061	6.0
83.08623	4.4
85.00297	1.2
85.01149	1.6
85.06520	1.9
86.99065	3.3
87.00829	10.6
89.00633	8.2
93.07056	2.0
95.04990	1.5
95.08590	1.7
97.10172	4.7
98.01703	1.1
99.08095	6.1
101.26125	1.1
105.00114	2.9
105.01875	24.0
105.07027	2.7
107.08593	4.3
109.06562	1.3
109.10160	16.7
113.04214	4.8
119.08602	1.5
121.06520	1.6
127.03840	1.5
127.11200	80.2
128.11560	3.1
131.01608	2.4
141.03682	2.1
147.11678	1.3
159.08405	100.0
160.08722	2.8
166.94041	1.1
180.78946	1.1
185.10033	6.1
189.16397	1.5
191.00064	2.1
203.11015	34.4
204.11263	1.7
209.01160	1.9
225.18057	1.3
328.79709	1.4
349.03809	1.3
349.73801	1.1
397.17715	2.2
397.22205	7.6
419.76514	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53001	1.3
55.05515	2.9
57.03424	2.8
59.04999	5.0
67.05503	63.0
68.05820	1.4
68.99799	1.6
69.07050	1.2
69.57442	2.9
69.57830	2.8
70.06604	1.4
71.04992	2.5
75.89578	1.5
79.05514	1.1
81.07080	6.6
83.08618	4.1
85.02897	1.8
85.06559	2.5
87.00839	2.0
89.67332	1.2
91.05469	5.7
93.07046	3.3
95.08610	5.0
107.04968	2.2
107.08588	1.5
109.10155	81.5
110.10515	2.1
111.08113	3.7
119.04932	6.7
119.08576	7.6
120.08892	1.1
123.11786	1.1
137.05974	2.7
137.09627	6.3
143.03363	1.5
147.04404	35.9
147.08052	1.7
155.10677	22.9
156.11028	1.6
163.41141	1.1
165.01884	2.5
173.11729	100.0
173.31277	1.2
174.12085	3.4
204.10213	1.4
212.75749	1.2
229.14346	5.3
233.12868	8.0
251.13991	4.6
269.10202	18.3
277.08704	2.0
283.06015	5.4
287.11295	8.2
295.09595	3.5
298.04736	1.2
310.64908	1.3
313.07214	5.5
323.09088	1.9
343.13892	10.8
344.79886	1.2
361.14911	68.8
362.15265	4.8
379.08139	1.6
379.16296	2.3
381.00772	1.2
396.16284	6.9
396.20883	2.2
397.09360	2.8
397.14682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07136	0.6
53.03946	3.9
55.01882	4.8
57.03440	5.3
57.07066	1.9
59.88612	0.8
61.02928	5.7
65.32932	0.8
67.05497	1.4
68.99796	2.0
69.03428	33.5
69.07066	2.1
69.80982	1.6
69.81381	1.7
70.06585	7.5
71.04989	4.8
71.08619	1.9
73.02915	6.4
76.39475	0.8
77.35223	0.8
81.02957	1.3
81.03419	19.4
81.07059	1.5
82.06570	1.4
83.01372	1.2
83.07354	1.5
84.08148	1.4
85.02904	100.0
86.03233	2.1
87.00829	37.8
88.01180	1.2
91.05488	0.8
93.07088	0.8
94.29791	0.7
95.04930	1.0
97.02892	24.6
99.04453	13.9
101.02442	0.8
105.01865	63.7
106.02202	0.9
107.08546	0.7
108.04482	1.7
109.02878	26.6
109.10140	1.2
111.06836	1.5
111.11725	1.3
117.01860	2.7
126.05536	1.3
127.03915	64.7
128.04269	0.9
129.01813	3.6
145.04959	29.3
147.02905	2.9
147.04378	1.1
152.14339	1.8
159.02888	12.7
177.04001	1.0
180.13858	8.3
189.03966	3.6
213.03967	3.2
231.04993	23.0
233.13597	0.8
249.06067	7.6
254.17659	2.3
272.81299	0.8
396.27399	22.3
397.18326	1.6
397.27783	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36031	1.0
55.01862	1.4
55.05504	2.3
67.05494	4.7
68.05023	1.6
69.07059	4.9
70.06594	40.7
71.05009	1.5
71.11846	1.8
71.84517	1.3
74.98847	1.2
79.05498	1.9
81.07047	3.2
82.06579	3.4
83.07363	4.4
84.08152	10.6
91.05513	1.9
93.07015	4.5
94.04778	1.1
95.08607	1.5
105.07036	1.4
107.08574	1.3
109.10140	3.2
110.06042	1.4
111.06839	7.9
113.08370	1.6
113.38947	1.3
133.10152	1.2
152.14302	7.7
180.13826	63.5
181.14104	2.8
182.15355	2.3
197.13615	1.2
237.02892	1.2
254.17564	6.1
255.79185	1.2
354.13040	3.0
396.27426	100.0
397.17715	2.9
397.27698	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	396.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.8
56.65030	1.1
57.07076	27.7
59.04996	1.7
69.07085	2.5
71.08633	30.5
73.06562	4.8
81.07050	1.4
83.08608	4.2
83.55908	0.9
85.10181	24.4
87.04472	1.1
87.79032	1.0
89.06032	100.0
91.05483	2.2
91.07587	1.3
95.08611	1.0
99.11724	3.0
105.07018	1.5
107.07105	2.3
117.09172	1.2
126.18458	1.0
130.08632	1.3
133.08609	52.9
134.08936	1.4
141.16425	4.8
151.09683	3.0
177.11238	12.7
185.19025	3.9
187.14943	1.1
195.12381	1.5
221.13814	1.0
223.71046	0.8
229.21625	9.6
229.38469	0.9
236.77400	0.9
239.14891	23.4
273.24182	4.8
335.27829	1.3
350.01807	1.0
379.30539	43.1
380.30881	3.3
396.34473	4.8
397.28961	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29921	1.9
56.26839	2.1
57.02440	1.9
68.53812	2.3
69.83919	2.4
69.84245	6.7
70.06560	3.0
80.94868	3.2
81.38488	2.1
86.09730	5.0
98.22828	3.5
116.98601	3.0
124.99948	2.3
184.07324	11.5
360.65463	2.4
397.08945	100.0
397.14169	4.8
398.09021	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	397.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.7
62.35439	1.4
69.16576	7.7
70.06584	5.0
80.94852	1.5
81.07060	2.3
83.08607	1.8
88.07625	1.6
91.05469	5.0
92.22301	1.3
95.08629	1.6
100.11264	8.9
114.09165	1.4
119.04927	13.7
127.25396	1.6
136.06198	2.2
147.04407	61.4
148.04738	3.2
148.12271	1.6
179.91972	1.5
182.15378	2.9
187.03636	1.9
192.59380	1.5
201.05167	4.2
202.06021	45.2
204.10306	1.4
204.56612	1.6
210.14911	1.5
218.05446	3.2
233.12863	15.3
243.04710	12.0
245.06323	3.8
251.13960	6.0
252.48775	1.3
287.13895	1.5
333.26968	3.5
367.11548	5.6
379.11798	3.0
379.16702	4.9
397.12509	100.0
397.18088	25.0
398.12881	9.5
416.31226	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1628
Annotation	Rheediaxanthone C
Peak:m/z	Relative Intensity
63.29799	2.0
74.06090	2.6
74.56288	2.5
75.75789	2.2
81.07047	3.2
83.08646	2.6
87.44217	2.2
105.53008	2.7
109.10193	2.7
166.46712	2.2
182.15355	2.5
229.07513	2.4
235.13228	4.3
319.01437	2.4
335.18161	2.9
335.25705	2.8
344.12518	2.3
379.17294	35.7
396.27451	3.3
396.35760	2.8
397.16058	100.0
397.26285	9.0
398.16663	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	397.1762
Annotation	LGK974
Peak:m/z	Relative Intensity
55.01866	0.1
58.06602	0.1
65.03938	0.4
69.21830	0.5
70.06596	7.0
71.69623	0.1
75.42010	0.1
79.05487	0.1
85.02911	0.2
87.09230	0.2
88.07635	3.5
91.05482	5.8
105.10258	1.2
119.04945	19.4
120.05235	0.5
121.02883	0.8
145.02837	0.3
147.04408	100.0
148.04755	3.4
148.05751	0.1
163.03911	0.2
164.07108	0.2
165.01849	1.0
182.15334	0.1
183.02936	0.4
204.10204	2.6
204.86546	0.1
210.14897	0.1
216.10219	2.3
233.12851	23.2
234.11147	0.4
234.13171	0.9
243.17767	0.1
251.13921	8.3
252.14130	0.4
267.06540	0.2
271.05963	0.4
277.11774	0.3
279.06586	0.1
281.08105	0.2
283.06015	5.0
284.06418	0.4
293.07913	0.2
295.06290	0.3
295.09473	0.2
297.07825	0.3
305.08112	0.4
307.06003	0.2
308.06674	0.3
309.03964	0.3
309.07565	0.6
321.07568	0.2
323.09085	1.4
324.09363	0.2
333.07483	0.3
337.07111	0.3
349.07056	1.4
351.08698	0.5
361.07138	0.6
367.08319	0.3
379.08615	1.3
379.16516	5.6
380.16205	0.4
397.09235	2.5
397.17380	1.6
398.09540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96022	0.6
55.01857	2.7
55.05498	1.6
57.40467	0.5
67.05482	1.4
68.05015	2.0
68.76733	0.6
69.03426	0.6
69.72826	2.3
70.06589	80.4
71.04971	4.2
71.06920	1.1
79.05491	1.4
81.07043	0.6
83.08626	0.9
84.04472	1.3
85.02897	1.1
88.07615	1.4
91.05489	2.0
94.06557	7.9
95.04957	1.3
96.04497	0.7
98.02416	2.2
100.11249	5.4
104.04971	2.2
105.03395	0.7
106.06561	0.7
107.04951	1.0
110.02433	1.9
113.09635	0.8
114.09992	0.9
119.04937	2.8
121.07628	3.9
122.06023	92.8
123.06388	1.6
132.04462	3.1
138.05486	0.8
147.04391	7.9
147.05444	0.8
149.07098	100.0
150.05495	11.3
150.07372	3.1
154.12274	1.6
167.08154	79.2
168.06570	3.1
168.08546	2.2
185.09204	23.5
209.16704	0.6
213.09125	0.7
217.14378	0.9
251.03299	0.6
257.72324	0.6
334.14899	0.9
361.15695	1.1
362.13843	1.1
379.16455	8.6
380.16983	1.4
397.17899	44.6
397.31699	6.3
398.17957	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	397.1889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01281	0.7
70.01815	1.3
70.02155	1.0
81.66530	0.6
98.23395	0.7
119.08554	1.0
122.98295	0.6
185.04207	2.6
204.38519	0.6
235.16536	0.7
241.56546	0.7
312.68939	0.7
363.19254	1.9
375.16074	0.8
397.18829	100.0
397.32660	4.2
398.19107	8.5
398.23413	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.0
57.07088	2.1
59.04998	1.2
65.82196	0.4
67.05510	5.5
69.03432	1.8
69.07069	100.0
69.41325	1.9
70.07401	2.1
79.05479	1.9
81.07056	26.5
83.04973	2.6
86.09708	19.2
89.06040	0.6
91.05485	5.8
93.07072	1.2
95.04982	1.8
95.08598	4.7
102.04679	0.4
103.12360	1.3
105.07036	0.9
107.08582	3.2
109.06496	3.0
109.10155	6.3
115.05459	2.5
116.06273	0.8
117.07023	6.2
119.08606	2.3
123.08089	0.7
123.11707	26.8
124.12009	1.0
131.83638	0.4
133.10130	0.9
145.06483	34.9
146.06851	1.0
151.11182	39.6
152.11539	1.3
202.90016	0.4
230.15402	10.9
236.20105	1.3
247.18059	47.5
247.62932	0.4
248.18336	2.8
253.22813	0.8
273.15936	4.9
298.66229	0.4
329.22357	1.8
341.22122	0.8
379.27466	0.7
386.46085	0.4
397.13028	1.3
397.28528	22.8
398.13596	0.8
398.28925	2.7
398.36462	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13504	1.0
55.05505	1.5
57.07083	1.7
59.04989	1.3
65.03938	1.2
67.05505	10.2
69.07068	100.0
70.07413	1.9
71.04993	3.6
71.08633	3.0
75.19958	0.8
79.05497	3.6
81.07053	12.1
83.04984	0.9
83.08640	1.6
85.06544	2.1
91.05477	25.4
92.05805	7.8
93.07036	3.8
95.04961	2.1
95.08601	8.8
96.08950	1.0
97.06537	2.2
98.22620	2.0
100.50401	1.1
101.09655	93.4
102.09998	2.0
104.84007	0.8
105.07049	3.1
106.06558	3.5
107.08626	3.2
108.08120	3.3
109.06547	2.7
109.08474	1.8
109.10164	1.8
111.04453	1.1
119.08587	3.5
121.10112	1.9
122.85699	1.0
123.08060	1.2
123.11709	1.6
128.21690	0.9
133.10100	1.1
135.11687	3.4
137.13298	0.8
142.07790	0.9
145.10158	0.9
147.11694	3.0
148.02359	0.8
149.13264	2.0
165.12740	8.0
166.13113	2.5
167.10747	1.0
173.13350	0.8
175.11133	1.0
179.14211	1.3
181.12244	3.1
183.13831	3.8
185.13383	0.9
191.14313	1.0
197.15442	4.7
201.14825	2.4
239.08852	1.7
279.19589	1.8
299.22104	0.9
303.26804	1.3
319.26276	2.8
329.24854	1.6
343.81039	0.9
347.25839	17.4
348.26135	1.4
379.28455	10.1
397.24414	1.2
397.29239	6.6
397.34763	10.8
398.36005	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	398.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.1
56.96537	0.1
59.41780	0.1
64.90349	0.1
65.03934	0.4
69.03421	0.6
69.45528	0.6
72.08155	7.2
73.06551	0.3
81.03416	0.2
90.09202	0.6
91.05476	4.0
96.57087	0.1
97.02887	0.3
99.67735	0.1
119.04941	15.1
120.05270	0.4
121.03568	0.1
127.03930	0.6
147.04405	100.0
148.04749	3.0
165.05432	0.2
177.05493	0.1
194.77148	0.1
231.06499	0.2
236.10728	0.2
236.12851	1.2
243.28909	0.1
284.61783	0.1
291.08582	0.8
309.09671	2.7
309.13202	0.1
310.10135	0.2
310.73358	0.1
398.13098	0.2
398.18066	2.2
399.18668	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	398.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60800	1.6
53.03940	2.1
55.01868	5.9
57.03437	15.8
59.05005	1.6
61.02928	17.6
62.55900	1.2
67.05478	1.5
68.43811	1.5
69.03428	34.3
69.07068	33.1
70.07391	1.9
70.22766	2.8
71.01360	4.0
71.04991	3.2
73.02917	80.2
74.03261	1.2
78.90651	1.2
81.03437	6.7
81.07059	2.2
85.02905	100.0
87.04474	6.2
91.03957	5.2
96.04464	1.7
97.02889	63.3
98.03259	1.3
98.20659	1.3
99.04460	3.3
103.03944	5.2
105.07041	1.4
109.02874	10.2
109.06522	2.0
111.04404	1.4
111.08064	3.5
114.79120	1.5
115.03931	30.3
123.08115	1.5
127.03911	35.2
133.04965	47.0
145.04961	59.3
146.05328	1.4
150.07610	4.2
157.05074	1.3
162.90013	1.3
163.06026	38.6
165.09142	1.8
183.10103	3.3
193.04787	1.7
199.05980	2.2
201.11176	4.4
213.11186	2.0
217.07120	3.0
223.05986	7.7
223.95435	1.3
231.12292	2.9
241.07045	10.2
259.08145	19.2
277.09241	6.4
295.10202	17.5
303.93741	1.3
342.31726	1.4
398.19049	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.0
55.01856	5.0
57.03436	8.2
57.03687	1.4
57.07076	10.6
59.05001	70.3
61.02921	6.2
62.98253	1.4
67.05499	1.7
68.99780	3.3
69.03432	37.8
70.80398	1.5
71.05002	6.7
73.02917	8.8
79.05495	1.6
81.03417	25.5
83.04969	1.8
84.04521	2.2
85.02905	100.0
86.03237	2.3
87.00829	53.1
87.04444	1.6
91.03962	2.0
91.05485	2.1
93.07039	1.9
95.08591	1.9
97.02894	39.6
99.04449	13.1
100.11229	3.0
105.01868	83.3
105.07026	6.6
107.08574	2.3
109.02173	2.7
109.02871	29.4
114.92226	1.4
115.11217	23.5
115.11974	2.8
115.98805	1.3
117.01853	3.2
119.08556	2.3
127.03919	68.8
129.01799	4.3
130.04987	2.1
131.08502	3.3
133.10121	1.9
133.12239	11.5
141.97220	1.5
145.04953	28.9
145.10139	2.1
147.02939	1.7
147.08014	3.8
159.02846	13.2
159.11844	2.1
161.09624	2.6
175.13390	1.8
182.04951	3.9
189.03969	3.5
213.03964	3.7
231.04987	23.5
233.15372	2.8
239.53041	1.5
249.05916	8.4
266.10660	4.0
348.80969	1.5
398.11444	5.3
398.18671	3.2
398.32458	2.6
399.20053	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	398.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	10.4
55.05516	28.0
57.03445	23.3
67.05511	42.9
69.07073	12.4
70.06576	8.0
76.82758	5.8
79.05494	32.2
81.03462	7.0
81.07057	28.4
83.04977	10.7
83.08640	17.2
85.68707	6.6
87.94617	6.1
91.05495	26.5
93.07043	21.4
95.08616	7.7
97.06516	7.2
97.10183	19.7
98.97598	6.9
102.09165	9.9
105.07035	8.2
107.04950	13.5
107.08624	12.7
109.06506	10.1
109.10159	11.1
117.07051	12.7
119.08597	12.8
125.09634	9.4
129.52864	6.2
130.70360	7.4
131.08591	6.9
133.10164	5.9
135.08078	8.0
137.09628	5.7
137.72072	5.9
145.10188	7.5
145.62421	6.3
148.25029	6.9
159.08127	21.5
159.96490	6.5
189.11284	9.7
189.32394	6.2
233.15462	10.4
271.16953	18.6
289.17944	61.3
363.21597	100.0
398.22131	12.6
398.26929	14.6
398.32706	12.8
399.15509	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	398.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93991	0.5
55.05512	2.4
57.03410	0.6
62.80255	0.5
63.03980	0.6
67.05507	4.0
68.05005	2.0
69.03419	0.6
69.05821	3.6
69.07040	1.7
69.15983	3.5
70.06595	36.3
71.04980	1.3
71.06886	0.6
71.08649	2.9
79.05482	2.0
81.07067	2.9
82.06556	1.0
83.04958	0.8
83.07366	5.4
83.08607	1.6
84.08151	2.9
91.05473	1.2
93.07046	2.5
95.04962	0.8
95.08611	2.8
96.08104	0.6
97.10165	0.8
98.09702	0.5
98.22716	1.1
99.08074	1.6
105.07035	1.9
107.08569	1.5
109.10149	3.1
119.08546	1.1
119.12488	0.5
121.10116	1.0
125.09650	0.8
139.11174	2.1
145.10149	0.6
151.11182	1.0
154.15930	4.1
165.12723	0.5
173.11708	1.1
175.68794	0.5
182.15408	95.1
183.15750	3.0
184.16971	2.6
187.14897	0.5
229.19635	0.8
269.17175	0.6
274.97528	0.5
293.21133	1.4
339.44354	0.6
367.19324	2.8
380.27960	0.7
398.29019	100.0
399.24112	0.7
399.29340	8.4
399.34274	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	8.2
57.03445	12.5
67.05505	11.5
69.07056	6.1
70.24604	1.7
71.04969	2.4
71.35174	2.0
79.05486	11.2
81.07052	12.7
83.08632	3.0
84.28450	1.8
85.06563	3.3
91.05486	17.8
93.07052	18.0
95.04973	2.6
95.08608	9.7
99.04458	3.0
99.25321	1.9
105.07024	15.6
107.04958	2.5
107.08601	5.3
109.06531	4.2
109.10156	6.5
117.07024	6.4
119.08583	14.9
121.10141	6.1
123.08099	2.7
123.48886	2.1
131.08580	7.6
133.10153	7.8
135.11729	2.9
137.09615	2.9
143.08572	2.3
145.10100	5.3
147.11664	3.4
159.11705	4.2
173.13286	3.0
185.13254	2.9
190.63937	1.9
201.16414	3.0
203.14177	2.5
219.17444	62.7
275.19998	13.7
286.26343	1.9
349.23734	100.0
350.24124	7.3
353.24625	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	398.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89175	0.3
56.94532	0.3
56.96568	7.1
69.19858	0.8
69.20287	1.1
71.95274	0.4
74.66129	0.3
97.02933	0.3
98.97581	70.6
99.97924	0.7
101.00951	0.3
116.98623	34.5
130.93275	0.7
134.99657	9.8
136.00041	0.3
140.00191	0.4
153.00682	1.1
158.01326	0.3
172.94379	3.8
177.00923	0.8
190.95416	2.9
197.95154	0.4
214.95392	2.8
216.98741	0.3
219.02058	0.6
232.96471	6.3
233.96629	0.3
234.99779	0.4
240.98853	0.8
250.97528	3.0
256.96439	15.8
257.96823	0.6
258.99869	3.7
259.99985	0.6
261.03122	1.9
262.03275	0.7
263.02802	0.8
274.97507	100.0
275.97861	2.3
276.97964	0.7
277.00848	4.5
279.00842	0.4
282.99991	4.6
284.00171	1.2
284.99570	0.7
286.00076	0.3
292.98557	49.7
293.98895	1.1
297.99228	1.6
298.97839	1.1
300.98053	0.5
301.01105	4.6
301.19614	0.3
302.01221	1.2
303.00653	0.7
304.00806	0.5
310.99515	0.4
316.00089	0.6
316.98761	1.3
317.98248	0.3
340.01129	0.3
344.02350	0.5
357.03720	3.2
358.03867	0.4
359.00443	0.3
398.97952	3.9
399.02975	0.5
399.97830	0.6
416.99017	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	399.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05031	10.5
56.96558	4.9
61.70436	5.0
70.36597	13.7
72.29295	4.4
94.93005	27.1
97.02898	47.1
98.97594	64.3
102.05563	19.8
110.97588	15.1
112.89611	100.0
112.90337	7.9
114.89333	54.6
116.89143	7.0
116.98643	22.2
118.08770	5.3
128.98622	17.7
136.06213	51.8
146.99733	6.9
150.26151	4.6
158.99657	55.2
161.09201	12.2
170.99696	19.4
177.00713	33.0
189.00751	19.8
200.02386	5.2
207.01808	5.1
212.85243	23.2
219.01772	41.7
226.86797	12.0
231.01936	8.9
237.02739	5.8
248.89624	29.7
249.02760	26.4
250.09341	60.6
270.68945	4.9
279.03970	34.7
298.09787	16.0
324.82565	6.7
326.84683	5.5
339.09265	12.3
357.10165	6.5
399.06744	21.6
399.11353	28.1
419.09586	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	399.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12713	0.9
51.38919	0.8
55.05518	1.2
57.07069	1.0
70.06589	2.7
71.08634	1.3
82.94543	0.8
86.09718	1.4
97.02921	1.5
98.23446	1.9
98.97578	1.7
100.11208	1.3
111.04435	0.9
114.18391	0.8
116.98605	1.2
124.83113	0.9
132.26976	0.8
136.06151	1.2
138.18504	0.9
148.04837	1.0
179.81389	0.8
202.05991	7.6
251.41437	1.0
274.97324	1.8
292.98648	1.3
351.12036	1.3
399.14166	100.0
400.14456	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	399.1418
Annotation	D 4476
Peak:m/z	Relative Intensity
52.38876	1.1
69.41861	1.5
69.42252	3.0
70.06570	1.0
71.08641	1.5
86.09695	1.6
87.01191	0.9
93.07049	1.1
98.97566	2.4
100.11259	1.5
101.06056	1.1
111.04381	1.0
111.78821	0.9
116.98553	1.6
131.15601	1.1
136.06227	1.1
140.04759	0.9
155.74121	1.0
164.30486	1.0
202.06006	8.6
227.21973	0.9
239.91060	1.0
250.09441	1.1
269.07983	1.2
274.97595	2.7
292.98553	1.2
398.82462	1.0
399.14145	100.0
399.19211	3.7
400.14374	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	399.1627
Annotation	Glu Asn His
Peak:m/z	Relative Intensity
52.18354	0.5
55.01844	0.5
55.30004	0.5
55.74575	0.5
57.03430	1.2
61.02936	1.2
64.27230	0.5
69.03424	2.1
73.02914	4.5
85.02902	8.0
96.76187	0.5
97.02892	3.9
98.23498	1.2
114.09191	3.2
115.03936	1.6
127.03918	1.9
133.04977	1.8
145.04958	3.5
150.16411	0.5
151.45985	0.4
156.13814	0.5
159.98459	0.5
163.06081	1.8
197.58640	0.5
212.07071	0.9
219.09952	0.7
223.06068	0.6
237.00903	0.6
237.10953	3.8
238.08798	0.5
250.09425	0.8
255.69205	0.5
259.08109	0.6
274.97556	0.6
292.98907	0.5
367.12863	1.0
381.14841	0.8
399.16315	100.0
400.12833	0.7
400.16772	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	399.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.79090	0.4
55.01868	0.7
55.05488	0.9
57.03439	0.7
57.07080	3.4
59.04997	1.6
61.02926	4.2
65.03938	0.5
67.05504	8.7
68.09917	0.4
68.52000	0.4
68.99790	5.3
69.03429	6.2
69.07068	100.0
70.06596	0.5
70.07409	1.8
70.69692	0.6
71.04987	2.0
71.08620	0.5
76.67384	0.4
79.05483	3.2
81.03419	13.3
81.07058	34.8
82.07382	0.8
82.94555	0.4
83.04988	2.9
83.08601	0.5
85.02908	11.0
87.00845	3.8
91.05470	1.5
93.07041	1.4
94.50605	0.4
95.04976	2.3
95.08606	5.6
97.02892	4.7
98.97580	1.1
99.04459	2.8
105.01868	0.8
105.07055	1.7
107.08587	6.9
109.02876	11.0
109.06519	3.8
109.10156	9.0
116.98591	0.4
117.07060	0.5
121.10138	1.5
122.00351	0.5
123.08078	0.8
123.11707	55.4
124.12042	1.5
127.03915	16.3
129.01836	7.7
129.05525	0.6
131.08609	0.4
133.10143	1.5
145.10112	0.5
147.02881	4.9
151.11179	53.4
152.11575	1.5
153.01823	1.2
157.34062	0.4
163.07497	0.6
177.02931	0.4
182.15497	0.4
188.33452	0.5
189.12701	0.5
203.14201	0.4
209.18739	0.4
210.24536	0.5
213.04019	1.3
274.97610	0.8
292.98840	0.6
295.15359	0.8
399.16458	8.0
399.21341	0.6
400.30255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01854	2.4
55.05490	3.9
57.03421	2.4
57.07057	2.5
59.04993	3.7
61.02936	6.6
67.05495	9.3
68.99791	9.2
69.03433	21.8
69.07074	1.6
69.57654	2.7
69.58041	2.6
71.04978	5.9
73.02903	2.3
73.12061	1.3
79.05486	7.6
81.03417	15.0
81.07057	52.6
82.07349	1.9
83.04963	2.8
83.08602	1.4
85.02905	27.6
87.00834	15.4
91.05482	15.2
93.07044	100.0
94.07349	2.8
95.04967	10.6
95.08601	12.2
97.02891	10.4
99.04433	4.1
101.05951	2.1
105.01374	1.2
105.01868	13.2
105.07014	10.4
107.08604	9.6
109.02879	18.2
109.06499	5.9
109.10108	2.3
111.04391	2.8
119.08533	4.3
121.06429	2.0
121.10155	6.6
123.08051	3.5
123.11707	42.5
127.03050	1.6
127.03921	29.0
127.84429	1.3
129.01866	10.9
129.05447	2.0
131.08566	2.9
133.10138	11.6
136.86183	1.3
145.04886	4.1
145.10051	2.1
147.02863	8.3
147.04430	3.0
147.06369	1.6
147.11670	2.3
149.09641	3.4
151.11192	28.5
159.02870	3.0
159.11638	1.8
169.12202	1.7
175.11101	1.8
191.10635	1.8
213.03844	4.4
213.12785	1.8
217.12120	1.5
229.07425	5.9
231.04845	4.3
232.07062	20.7
235.13104	2.1
241.12057	1.6
247.08508	2.1
259.13138	2.7
274.97244	2.1
292.98203	1.9
311.11508	1.7
381.15677	1.6
399.13864	46.9
399.17673	3.4
400.14371	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	399.238
Annotation	Neorustmicin B
Peak:m/z	Relative Intensity
53.03942	11.1
55.01869	21.0
55.05254	5.4
55.05515	74.8
57.03440	58.7
57.07067	5.4
59.05012	5.1
61.25891	3.7
65.03947	5.9
67.05159	6.1
67.05502	74.3
69.03416	10.9
69.07074	62.3
70.07427	3.8
70.16474	9.4
71.01337	3.9
71.04999	36.2
71.08643	3.7
73.02906	5.9
79.05491	82.8
81.03419	54.4
81.06619	6.2
81.07055	61.9
82.07376	3.9
83.04980	33.5
83.08620	31.1
83.70496	3.6
85.02891	7.0
85.06541	11.7
89.05986	4.5
91.05492	46.1
93.07054	50.3
95.01350	9.6
95.04984	52.9
95.08612	33.2
97.02908	7.9
97.06547	51.9
97.10169	49.3
99.04463	4.5
99.08106	5.9
101.06054	4.9
102.37476	4.1
105.04484	4.1
105.07013	33.3
107.04953	52.7
107.08602	40.6
109.06517	55.6
109.10172	24.0
111.04433	14.8
111.08060	12.8
113.06013	13.4
115.05573	4.4
115.07563	35.7
117.07008	22.7
119.04919	5.0
119.08574	33.0
121.02895	4.4
121.06513	60.3
121.10134	14.7
123.04425	10.0
123.08078	19.2
123.11628	3.6
125.06013	10.0
125.09644	42.6
127.07603	3.9
129.06995	13.6
131.08560	20.6
133.06520	9.0
133.10126	13.5
135.08078	38.6
135.11713	16.2
137.06004	3.9
137.09641	18.0
139.07542	31.0
145.06554	7.5
145.10107	14.4
147.08047	13.4
147.11679	18.6
149.09625	12.4
149.13255	4.1
151.07590	5.4
153.09131	7.4
157.10155	11.3
159.08081	61.8
159.11693	10.1
161.09650	7.2
163.07547	13.0
163.11249	20.4
169.10068	5.8
171.10143	7.6
171.11555	4.6
173.13243	9.2
175.07451	3.9
175.11156	12.4
177.09113	7.8
177.12778	5.1
181.12257	5.1
187.11224	5.9
189.11232	38.2
191.14291	12.4
193.12263	31.5
211.13248	17.1
215.14447	5.8
219.13806	37.5
221.11729	5.0
223.13237	10.6
227.12758	14.7
233.15375	21.2
237.14899	23.8
241.14270	12.9
243.17438	8.8
247.13324	5.5
249.14816	8.8
253.15865	10.4
261.18457	8.7
267.15872	6.1
271.16934	41.6
275.16452	6.4
279.15872	4.4
289.17993	100.0
293.17477	29.3
297.17117	4.8
307.19009	26.1
336.83667	4.2
363.21744	40.1
381.22726	47.0
399.23804	95.6
399.28827	6.0
400.23926	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	399.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.4
55.01870	5.3
55.05325	1.0
55.05520	9.5
56.05875	1.1
57.03432	8.9
57.07080	1.3
65.03944	2.5
67.05511	20.7
67.95715	1.0
69.03441	2.7
69.07073	5.4
71.04991	2.5
73.02926	1.6
78.09145	1.0
79.05501	37.3
80.05834	1.4
81.03431	5.3
81.07063	100.0
82.07394	2.0
83.04977	6.8
83.08621	5.0
85.02921	1.2
85.06570	1.6
86.40249	1.1
91.05497	12.0
93.07053	13.2
95.04992	6.2
95.08627	11.6
97.02907	3.3
97.06544	4.3
97.10145	5.6
105.04542	1.5
105.07037	10.0
107.04967	12.7
107.08605	11.4
109.02896	6.1
109.06526	72.7
109.10156	6.3
110.06879	1.9
111.04448	5.2
111.08063	3.4
115.05424	1.4
117.07016	7.1
119.08578	10.8
121.06499	6.0
121.10162	4.9
123.04423	5.8
123.08081	8.2
125.05959	2.5
125.09628	5.6
129.07047	2.4
131.08589	5.1
133.06537	2.8
133.10188	6.7
135.08101	8.3
135.11649	2.7
137.09610	5.0
143.08577	3.0
145.06519	4.2
145.10136	4.7
147.08022	2.5
147.11656	2.2
149.09618	2.1
151.07555	4.0
151.11185	1.9
153.09154	1.6
157.10092	2.1
159.08075	8.8
159.11729	3.0
161.09622	7.1
163.07539	4.1
163.11218	3.0
165.09186	2.1
169.10120	2.1
171.08072	2.0
171.11789	1.4
173.11852	1.5
173.13283	1.3
177.09128	1.9
177.12747	1.7
179.10672	6.8
183.10231	2.2
187.11261	2.3
189.09160	1.4
189.11220	3.2
193.12303	1.4
195.56604	1.2
207.10173	1.9
223.13483	1.3
225.11267	2.2
233.15364	4.3
241.14328	3.6
243.17468	5.1
253.16003	1.6
255.16017	1.7
257.13718	1.8
261.18491	8.6
271.16876	9.5
274.97537	2.8
289.17999	46.4
290.18375	3.1
297.16956	2.1
307.19159	6.8
319.29343	1.4
363.21716	20.9
375.55984	1.3
381.22739	30.2
399.15637	2.7
399.23679	6.3
399.28952	2.1
399.34384	1.9
416.03027	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.6
55.01893	9.8
55.05515	41.7
57.03185	3.7
57.03443	50.0
61.90366	1.8
61.95213	2.0
65.03937	3.1
67.05167	3.4
67.05508	50.3
69.03445	11.1
69.07074	26.8
69.41340	9.7
70.06609	3.1
71.04999	13.0
71.08601	1.9
79.05045	3.8
79.05495	60.1
79.47454	1.7
81.03428	12.7
81.06625	3.5
81.07060	43.3
83.04980	12.4
83.08628	18.9
85.02923	2.6
85.06530	3.5
91.05490	34.5
93.07047	37.5
95.01347	5.5
95.04986	24.5
95.08620	23.5
97.06535	38.7
97.10170	22.8
99.08073	5.0
103.05520	2.0
105.04485	2.2
105.07021	23.4
107.04964	26.1
107.08605	27.2
108.05760	5.1
109.06519	22.8
109.10144	15.8
111.04438	3.3
111.08086	9.0
113.06051	2.5
115.07580	10.0
117.07012	17.3
119.08589	22.5
121.02895	3.0
121.06509	25.6
121.10165	20.0
123.04431	3.8
123.08070	53.0
124.08432	3.3
125.06020	14.7
125.09628	18.6
129.05484	2.8
129.07013	8.2
131.04958	2.0
131.07053	5.7
131.08580	19.2
133.06473	4.7
133.10115	8.2
135.08061	24.7
135.11711	5.1
137.09636	5.9
139.07573	3.7
139.11180	6.7
143.08507	5.2
145.06511	5.8
145.10150	9.6
147.06549	2.7
147.08029	11.6
147.11703	8.3
149.06070	2.3
149.09608	10.8
151.07581	3.8
153.09106	6.1
155.08530	4.9
155.10744	3.1
157.10107	3.1
159.08061	73.3
159.11667	4.8
160.08441	2.8
161.09634	6.2
163.07565	7.0
163.11186	6.9
165.09085	2.9
165.12746	2.4
167.10677	2.2
167.12149	2.5
169.10065	3.4
171.10289	2.8
171.11711	5.2
173.09624	7.4
173.11681	3.3
173.13107	2.6
175.11195	4.9
177.09096	10.4
182.15459	4.5
183.11632	3.0
185.09660	5.1
185.11755	3.5
187.14835	4.5
189.11212	16.5
189.12790	5.1
191.10641	2.7
193.12242	10.9
201.12801	2.4
205.12103	2.5
205.15762	2.2
211.13168	2.8
213.77214	2.3
215.14302	8.1
219.13840	6.1
221.11790	2.9
225.16350	3.6
227.12804	5.3
233.15393	36.2
234.15628	2.1
237.14868	7.6
243.17502	5.7
245.13858	4.0
251.16464	15.3
253.15898	13.5
259.15497	2.8
261.18475	4.7
267.15994	2.4
271.16910	39.4
274.97391	2.3
288.36035	2.4
289.17996	100.0
290.18350	6.1
292.98706	2.5
303.74637	2.2
307.19043	40.0
311.18546	10.1
313.16574	2.5
325.20056	9.3
363.17484	3.7
363.21646	34.9
381.22711	82.2
382.23120	5.3
399.15378	8.6
399.23917	48.1
399.29239	7.8
399.40494	2.0
400.23999	3.9
411.69339	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	0.4
65.70241	0.2
72.04514	5.0
72.99879	0.3
81.07089	0.4
87.04485	0.3
88.02216	7.4
89.06077	0.3
95.08634	0.3
105.28876	0.3
130.26888	0.2
133.06151	0.3
180.89789	0.3
238.12582	0.6
250.12640	0.7
270.97604	0.3
344.16861	0.7
388.42834	0.4
399.30823	100.0
400.23004	1.0
400.31143	8.4
400.37061	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02388	1.8
56.96320	1.8
56.96555	9.9
69.03413	2.7
70.02206	4.9
70.06580	4.7
71.08635	2.6
72.08164	4.1
73.02928	2.3
79.05486	2.7
80.27803	1.6
81.03425	1.6
85.02902	9.8
86.09693	5.1
91.05485	2.1
97.02906	4.3
101.05972	2.1
107.04940	3.3
109.99161	31.9
115.03862	2.1
115.87560	1.8
119.13033	1.7
127.03955	1.6
128.00212	30.5
129.05498	2.3
133.04909	2.1
145.04962	3.4
146.01244	9.7
154.86580	1.9
155.99715	3.7
163.06046	2.7
164.10756	2.9
167.07037	6.5
174.00735	7.7
177.05478	2.0
180.29987	1.8
181.04883	2.2
184.00781	2.5
192.10211	2.6
202.01759	10.5
208.02840	2.6
210.14865	1.7
217.08620	2.6
220.02821	47.8
221.03127	2.1
222.04396	3.0
238.03836	24.6
238.10646	12.8
241.02805	3.9
246.04356	7.2
247.03908	16.4
247.09790	2.2
248.02101	1.7
255.04381	6.1
258.04431	2.2
259.03894	21.0
262.03955	3.0
264.05463	4.9
265.04947	17.3
273.05499	12.3
274.03693	2.5
276.05347	2.8
277.04895	12.6
280.04950	4.6
283.03873	20.1
283.06616	2.7
291.06516	7.7
291.10016	2.5
295.06113	2.4
301.04938	100.0
302.05212	6.2
315.06421	23.6
319.06027	22.9
324.06619	3.4
330.10947	3.1
333.07559	64.4
334.07758	4.2
351.08542	3.6
356.09085	4.8
377.06638	4.1
383.14832	4.8
400.11636	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	400.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.3
55.01852	0.2
65.03938	0.2
66.40185	0.2
67.05465	0.2
69.03439	0.5
72.30408	0.2
79.05488	0.2
80.69695	0.2
80.93861	0.3
81.03398	0.4
81.07080	0.3
83.05453	0.2
85.02904	0.7
87.00862	0.2
91.05485	4.1
93.07043	0.3
97.02893	0.7
98.03193	0.3
98.23522	0.4
109.02887	0.4
115.05462	11.9
116.06213	0.2
117.07021	100.0
118.07354	3.0
121.06504	0.3
127.03912	0.3
135.11760	0.3
159.08014	0.4
167.07076	0.9
220.09027	0.3
248.93063	0.2
282.89865	0.3
311.46735	0.3
351.12399	0.2
368.12350	0.3
383.14813	0.9
399.26700	0.4
400.14133	0.7
400.20084	0.4
400.26782	0.3
401.16113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01881	0.9
55.05511	15.0
56.05841	0.2
57.03435	7.5
57.06810	0.3
57.07075	3.2
59.04994	0.6
62.06078	0.4
67.05157	0.3
67.05503	5.7
69.03426	0.3
69.07066	19.8
70.07401	0.3
70.20975	0.2
71.04989	2.2
71.08630	1.2
71.46204	0.2
73.06557	0.9
79.05492	3.5
80.05855	0.2
81.06564	0.3
81.07057	8.4
83.04989	1.4
83.08617	21.3
84.08943	0.3
85.06538	1.7
85.10164	0.4
87.04461	0.3
87.08096	0.3
91.05469	0.7
93.07043	7.9
94.07388	0.2
95.04950	0.2
95.08604	3.1
97.06533	5.6
97.10165	5.7
98.98454	1.9
99.08090	0.6
100.10449	0.2
101.06017	1.0
101.09645	0.3
105.07029	0.4
107.08594	8.1
108.08930	0.2
109.10144	2.5
111.08079	4.5
115.07546	0.7
121.10140	3.5
123.11708	0.6
124.01601	0.3
125.09635	1.8
125.13286	0.9
129.09094	0.4
133.10112	0.3
133.78435	0.2
135.08017	0.2
143.14215	0.2
147.11702	0.3
147.51718	0.2
149.13252	12.8
150.13548	0.5
155.01022	0.7
156.45174	0.2
159.11618	0.2
167.12883	0.4
167.14307	6.0
167.15685	0.3
173.02145	0.3
185.15399	1.4
198.05251	0.2
201.34122	0.2
216.06296	0.7
228.19617	1.8
241.17973	1.4
258.21521	0.2
259.19034	100.0
260.19354	5.7
339.15582	0.5
359.23318	0.6
370.22568	0.9
370.72171	0.3
382.19775	0.3
400.20746	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57733	1.0
53.01609	0.9
55.01865	8.1
57.03435	15.8
59.04991	1.5
61.02923	15.8
61.93489	1.0
69.02403	1.1
69.03429	32.0
70.06590	1.7
70.07169	2.8
71.01348	3.0
71.05010	1.7
72.04539	1.0
73.02917	75.0
81.03029	1.0
81.03423	5.1
85.02904	100.0
86.03236	1.4
86.09711	2.2
87.04473	5.0
91.03950	5.5
97.02889	49.4
98.23350	1.3
98.97600	1.0
99.04475	4.0
103.03965	3.5
109.02876	7.8
111.04414	1.3
115.03925	25.3
122.82021	1.0
127.03915	31.4
133.04955	33.5
133.05919	2.1
134.05058	1.1
142.08684	1.1
145.04956	56.5
146.05464	1.4
150.07629	2.7
163.06006	23.6
169.05011	1.1
174.07506	1.0
191.51877	0.9
199.06052	1.1
217.07156	1.4
223.06007	4.2
241.07019	5.8
242.54581	1.1
251.14948	3.8
259.08112	7.8
277.09155	2.8
282.57419	1.0
295.10172	2.5
359.96570	1.1
400.30026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71891	1.3
51.75974	1.5
52.91365	1.6
55.01867	1.9
56.96572	1.6
57.03439	26.9
59.05000	9.4
61.02938	15.2
69.03430	32.0
70.06573	2.7
71.54531	1.5
72.08167	4.0
73.02918	59.6
79.05504	1.6
81.03414	5.1
85.02905	100.0
87.00879	1.7
87.04451	10.3
91.03942	4.0
91.05491	2.1
92.17185	1.6
95.24651	1.6
97.02890	47.6
99.04460	4.0
101.06023	1.6
102.98292	1.6
105.01885	2.7
105.07019	1.8
107.04944	4.0
109.02906	8.3
115.03931	31.1
115.05427	1.6
117.09129	2.4
127.03906	32.7
133.04965	8.1
133.44893	1.6
137.05991	2.8
145.04962	59.6
147.56668	1.5
150.07552	3.3
163.06012	24.5
163.07359	3.2
167.07056	7.5
181.04909	9.1
185.68459	1.7
217.08607	3.7
221.13927	2.5
223.05948	3.9
238.05492	2.6
238.10745	8.6
241.07111	4.3
251.14912	5.8
259.08148	4.9
274.97754	1.9
276.10638	1.8
282.82690	1.8
294.74628	1.6
295.10284	2.9
299.08743	1.8
315.08606	4.9
330.10889	4.9
351.12341	2.1
357.15213	4.8
383.15219	7.7
393.43222	1.6
400.20660	2.0
400.27374	2.1
401.13190	11.8
401.17831	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	400.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
53.49319	0.9
55.01865	4.0
57.03436	23.8
59.04985	1.7
61.02921	12.7
63.84483	1.0
65.64592	0.9
68.40131	1.1
69.03426	30.4
69.34589	3.5
69.34995	1.6
69.96243	1.1
70.03767	1.1
71.01353	2.3
71.04974	1.6
71.08632	1.3
73.02914	59.5
79.05478	1.3
81.03424	5.2
83.04951	1.1
85.02901	100.0
86.03233	1.7
86.09711	1.7
87.04465	5.6
91.03948	6.5
97.02889	49.2
99.04445	5.9
100.11277	1.6
101.11577	1.0
103.03960	1.8
107.04973	2.7
109.02872	7.0
111.04485	1.5
115.03927	33.6
118.59669	0.9
127.03906	27.7
128.04227	1.3
128.07256	1.4
132.06584	1.3
133.04962	17.2
145.04958	61.2
150.07637	4.7
163.06010	31.9
167.07072	3.8
182.15367	1.7
183.15677	1.3
210.14813	3.0
211.15137	2.4
217.08594	2.1
219.08160	1.1
221.13660	1.1
223.06055	3.0
226.32491	1.0
231.08055	1.2
231.78482	1.0
241.07027	4.2
247.09654	1.4
251.14880	5.9
259.08130	5.1
264.07690	1.2
269.08191	1.2
291.10077	1.1
295.10126	2.3
301.04901	1.4
315.08664	1.8
330.10980	1.4
331.11606	1.3
338.21558	1.7
355.24167	1.4
383.14844	3.9
383.23639	1.7
401.16245	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00442	4.9
55.05518	5.1
55.56733	3.5
57.03436	9.2
66.68959	3.3
69.03429	4.5
69.07070	5.8
69.28033	18.7
70.06602	4.6
71.04996	65.1
73.02923	4.5
83.04985	9.7
83.08656	3.9
85.02908	100.0
86.09712	16.3
93.07053	4.2
97.02905	5.1
98.22704	7.7
98.97582	6.2
99.04423	3.7
101.52583	4.1
104.10743	23.9
111.04453	11.9
121.10128	4.6
125.00018	6.3
129.05478	33.6
129.10199	4.1
137.72871	4.2
145.04938	6.2
147.06522	25.0
163.05988	4.2
175.75079	3.8
177.05475	4.0
180.34602	4.1
184.07338	22.2
259.15256	18.0
274.97400	4.0
400.21091	7.4
401.12097	5.1
406.10999	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	400.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.4
55.01878	12.5
55.05516	23.8
57.03439	10.6
62.98262	7.6
63.55520	4.4
67.05515	68.7
69.03452	7.2
69.07066	33.2
69.58268	6.3
69.58601	16.0
71.05033	5.1
79.05506	51.8
81.03413	8.4
81.07059	69.4
83.04984	17.9
83.08625	15.1
85.06544	9.0
87.90147	5.0
91.05489	39.7
93.07059	39.0
95.05000	10.3
95.08625	29.0
97.10184	12.3
105.07043	45.7
107.04971	12.7
107.08582	31.2
109.06557	10.7
109.10157	49.3
111.08064	5.9
117.07063	10.5
119.08580	18.6
121.06532	9.3
121.10162	13.8
123.08127	8.1
123.11699	9.0
125.09662	8.8
131.08598	18.3
133.06467	8.4
133.10136	65.5
135.08043	9.2
135.11708	6.7
143.08516	9.2
145.10123	11.3
147.11678	7.6
149.09586	8.6
151.11185	43.0
159.11714	8.4
161.09633	9.6
169.12221	6.5
175.11229	7.2
177.09084	5.6
179.10704	5.5
215.12869	5.6
217.19597	5.3
223.13278	13.1
245.19128	8.1
253.14352	31.0
263.20135	8.6
271.15375	26.3
273.18423	31.0
291.19550	92.8
347.22137	7.0
365.23279	100.0
366.23511	7.9
400.17487	7.9
401.16690	40.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.0
57.32009	2.3
62.87135	3.3
65.63585	2.5
67.05501	15.0
69.07071	5.7
70.63000	2.8
70.63325	3.8
71.08634	15.1
79.05495	14.8
81.07069	22.8
81.20879	2.9
83.08598	4.1
91.05476	9.6
93.07065	23.7
95.04984	3.0
95.08611	17.0
97.06545	4.3
99.08087	10.7
105.07042	9.2
107.08596	13.9
109.10158	10.2
119.08564	8.0
121.10139	13.0
133.10172	5.9
135.11676	13.3
147.11673	4.2
149.13234	2.9
151.11133	5.7
161.13268	5.6
163.11131	3.2
179.14307	48.5
267.22147	2.6
277.21661	33.8
328.85956	2.7
351.25269	100.0
352.25601	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	400.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05528	15.0
56.87078	13.8
57.03419	14.0
57.93520	12.1
62.33536	13.6
67.05499	23.8
70.62260	28.2
71.08624	21.3
71.19067	13.5
79.05459	23.9
81.07043	44.3
87.04477	14.7
91.05492	33.0
93.07040	37.7
95.08593	34.3
96.97369	13.6
105.07032	25.6
107.08581	28.3
109.10121	16.0
116.82550	15.0
118.26340	12.7
118.56387	11.6
119.08570	15.0
128.39145	14.6
131.08585	22.0
133.10144	22.3
133.19922	13.5
135.11697	20.5
147.11647	14.9
161.13339	19.9
161.81862	12.3
179.14281	25.4
222.01918	12.8
251.40302	12.4
258.16266	14.3
259.20642	30.6
277.21704	30.7
312.38156	13.9
351.25189	100.0
381.91202	15.9
383.20596	18.4
401.21637	20.3
403.85153	18.5
419.22620	19.4
423.79868	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	400.306
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76707	13.9
55.05514	26.2
56.37992	14.5
57.03429	24.6
57.44696	11.4
57.95860	13.3
67.05506	53.9
69.10410	100.0
79.05504	56.3
81.07059	50.9
91.05505	41.2
93.07050	67.9
95.08619	58.7
105.07056	43.8
107.08589	47.7
109.10165	17.4
119.08603	33.5
119.77773	12.8
121.10190	42.9
131.08568	25.1
133.10130	43.2
135.11700	36.5
142.39984	14.5
144.24359	16.8
147.11685	23.2
149.13332	23.0
159.11728	24.2
161.13342	22.8
175.14832	14.5
241.19583	20.8
259.20645	46.8
271.29361	16.2
277.21796	34.3
339.02927	15.0
351.25345	55.5
391.06064	14.0
395.20670	13.9
401.20575	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	401.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74044	0.5
56.96568	8.0
60.60236	0.6
69.57108	2.2
98.22709	0.7
98.97586	100.0
99.97886	0.9
100.97200	0.8
116.98624	49.2
117.98838	0.5
118.99079	0.6
134.99658	14.8
153.00726	1.2
153.61296	0.6
172.94386	1.4
177.00905	0.6
181.95988	0.6
190.95352	0.8
198.47179	0.6
214.95461	1.0
216.98766	1.5
232.96544	1.1
234.96317	0.6
234.99887	1.9
240.98653	8.0
256.96429	3.4
258.99780	70.3
259.99887	5.5
260.99832	1.8
261.03098	2.5
263.02737	1.5
274.94510	1.2
274.97534	22.0
275.97888	1.9
277.00812	75.1
278.01031	5.2
279.00870	1.1
282.01447	0.8
282.99899	3.4
284.00101	1.0
284.99847	4.7
292.95648	0.6
292.98572	10.5
293.98752	0.8
294.98608	1.5
295.01962	0.8
298.97873	1.4
300.02588	0.8
300.97888	1.0
301.01080	3.9
302.01257	1.2
303.00864	6.4
304.00873	1.2
316.98718	0.8
317.95129	0.6
317.98898	1.2
318.98441	0.8
341.02438	0.8
358.99661	0.7
359.03763	4.0
360.00061	1.2
382.99820	6.6
384.00012	1.3
396.94797	0.8
401.01019	25.5
402.01407	3.2
414.95441	0.8
418.97748	1.9
419.02786	4.3
424.02878	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49694	1.4
67.05485	1.6
70.82195	1.9
78.04694	1.7
79.05495	17.0
80.19233	1.3
81.03431	2.7
81.07054	5.0
85.02890	2.1
87.00820	1.4
91.05473	8.9
93.07047	4.2
95.04971	5.0
97.02882	1.4
97.44874	1.2
103.31073	1.3
105.03400	1.5
105.04494	1.7
105.07056	4.0
106.04139	1.4
106.63059	1.4
107.04953	41.4
107.08615	5.9
109.06500	2.2
111.04478	2.1
115.05463	4.1
116.06241	2.3
117.07010	3.2
119.08586	3.8
119.38569	1.2
121.06534	2.9
121.10142	2.0
123.04393	8.1
124.05213	6.7
125.06012	3.3
128.06226	4.6
129.07005	8.6
131.04938	2.3
131.08557	11.4
132.05606	1.5
133.06509	1.5
133.10117	3.6
135.11725	5.3
137.06007	1.7
137.09621	3.3
141.06996	5.4
144.05692	9.0
145.06490	5.2
145.10126	2.3
147.08040	1.4
149.06017	2.5
152.04686	4.0
153.05492	3.8
156.05699	24.1
157.06493	5.3
158.07272	2.3
159.08067	17.1
161.06012	4.9
163.03926	4.3
163.22401	1.4
165.05411	1.7
165.07007	1.5
167.07037	100.0
168.07448	2.8
169.06436	3.1
169.07698	3.0
172.05235	2.7
173.05984	3.2
174.03047	1.7
174.06810	1.5
177.05579	1.7
179.07123	2.7
181.04959	3.3
181.06508	1.7
181.08609	5.8
183.06491	2.6
184.05226	7.5
186.06766	5.6
187.07518	13.7
189.06906	1.5
190.06285	1.9
190.07817	2.0
191.07042	3.2
191.14316	3.2
193.08618	2.0
194.07318	2.1
195.06575	4.2
201.09180	1.8
202.06204	13.4
202.07800	2.6
203.08611	3.0
204.07776	3.4
205.06638	2.3
205.08583	19.0
207.06483	10.2
207.08185	2.2
208.05185	10.8
209.05980	1.4
209.07982	2.9
210.06778	4.0
211.07559	4.9
215.06961	4.1
215.08774	1.7
217.08588	70.0
218.07249	4.0
218.09024	3.8
219.08087	10.4
219.10194	10.4
220.08780	4.3
221.06012	4.3
229.08606	3.8
231.08076	8.1
231.10127	3.5
232.08820	2.1
233.09656	5.0
234.06876	2.0
235.07555	2.8
236.04700	3.5
236.08296	3.1
237.09016	1.6
238.06244	3.6
239.06892	1.6
241.04855	1.4
241.08522	1.5
245.09622	4.6
247.07489	12.0
247.09705	22.4
248.08163	14.2
249.09073	4.7
251.10585	2.5
254.05830	4.9
255.06535	3.5
259.07568	3.8
260.08273	2.7
261.09164	5.7
262.06195	2.0
262.09906	3.9
263.07004	3.5
263.10681	11.7
264.07788	7.6
265.08521	6.1
266.05640	2.5
267.06522	5.0
268.10904	1.6
269.08090	10.8
271.09619	11.9
272.06836	1.8
275.06985	5.6
275.10223	1.4
276.07907	5.7
277.08618	6.9
278.05832	1.8
278.09265	2.1
279.06924	2.7
279.10150	8.9
280.10751	1.3
281.08237	1.7
282.05765	1.8
282.08783	6.8
285.07498	2.9
287.09277	2.8
289.08755	2.8
290.09409	5.6
291.10120	16.7
292.07324	6.2
292.10641	2.7
293.08002	9.0
294.08762	2.7
296.10486	1.8
299.09167	7.8
300.06287	2.4
300.09601	2.3
301.07190	3.5
303.06476	1.6
304.07230	1.7
305.08093	4.7
305.11465	2.0
306.08755	2.1
307.06223	2.1
307.09604	13.8
308.10281	7.7
309.11255	2.1
310.08405	5.3
311.12738	2.9
315.08627	40.8
316.09180	2.7
318.08856	2.1
319.09583	6.1
320.10492	1.8
321.07553	5.0
321.11060	2.4
322.08322	3.0
322.11877	2.3
323.09375	2.5
323.12741	13.5
324.13266	2.2
325.10593	2.2
330.10977	34.6
331.11703	22.5
335.09180	2.1
336.09952	4.5
337.10648	7.0
338.07465	1.7
339.12289	9.8
340.13016	1.8
343.11774	9.8
351.12280	29.9
352.12863	5.5
353.10220	5.5
356.12384	1.6
368.12534	5.7
369.13467	3.7
371.15027	6.0
383.14886	46.3
384.15164	4.9
401.15918	28.8
401.21545	7.7
401.28699	13.0
402.15100	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1594
Annotation	Gomisin R
Peak:m/z	Relative Intensity
55.01872	3.2
67.05487	2.1
69.03441	2.0
69.29845	3.6
69.30229	3.0
72.08173	2.2
79.05493	15.5
80.96714	1.3
81.03398	2.1
81.07073	3.6
85.02917	1.4
86.09710	3.2
86.66705	1.4
91.05481	6.6
93.07094	1.6
95.04980	5.4
96.36970	1.4
98.06056	1.8
100.11281	1.9
105.04501	1.5
105.07040	1.3
107.04962	29.2
107.08639	1.4
109.06519	2.0
114.80154	1.5
115.05418	3.1
116.06243	2.8
119.82265	1.6
121.06538	2.3
121.10133	1.5
123.04451	4.8
124.05217	6.8
125.06023	3.2
128.06239	3.7
129.07011	7.2
131.08551	12.1
132.05769	1.6
132.29951	1.6
135.04485	1.7
135.08020	1.8
141.07001	6.0
144.05685	7.3
145.06499	5.0
147.04485	2.5
149.06047	2.6
151.03940	2.6
152.04716	3.3
153.05389	3.2
156.05692	11.7
157.06497	5.8
158.07195	2.2
159.08047	15.7
161.06027	1.9
163.03926	2.6
165.06973	2.4
167.07050	74.3
169.06409	3.6
170.07275	2.2
173.05997	5.0
174.06842	1.5
175.07576	1.9
177.05499	2.3
179.06941	1.8
181.04959	2.9
181.08629	2.5
182.07324	1.5
184.05234	4.0
186.06763	4.2
187.07516	9.5
190.07704	1.9
191.07010	1.9
191.08572	3.6
195.06560	1.8
201.09122	2.5
202.06250	4.9
202.07829	3.6
203.08598	2.9
204.05815	1.6
205.06631	2.7
205.08533	13.9
205.12227	2.5
206.07385	1.8
207.06511	3.6
208.05257	13.0
208.08942	2.2
209.05635	1.8
209.08055	1.9
215.08789	1.8
217.08546	32.2
217.10420	2.3
218.07153	3.6
218.09053	1.9
219.08070	12.2
219.10182	4.7
220.08780	5.0
221.05972	4.4
221.09660	1.5
222.06551	2.4
225.05501	1.9
225.65858	1.6
229.08539	11.1
230.07224	2.5
231.08076	10.2
231.10217	3.6
232.08829	2.7
233.09700	6.6
234.06764	2.3
235.07568	4.2
236.04736	5.9
236.08315	4.3
237.09209	2.6
238.06293	1.7
239.07028	2.3
240.04190	2.9
245.09665	4.1
246.06789	3.6
247.07510	13.5
247.09732	19.7
248.08270	12.5
249.05531	2.0
249.09120	5.2
250.06261	1.6
251.07182	1.5
251.10649	3.5
253.08614	2.0
254.05736	8.4
255.06332	2.1
256.07199	1.5
259.07550	1.9
260.08261	2.2
261.05344	1.5
261.09125	5.6
262.09930	5.2
263.07065	4.4
263.10693	10.2
264.07822	10.8
265.08588	6.4
266.05759	2.7
267.06543	5.6
268.11035	1.6
269.08112	15.9
269.13632	3.0
271.05948	2.8
271.09769	7.5
272.06757	2.8
275.07025	7.0
276.07864	7.8
277.08643	5.3
277.31262	1.7
279.10184	11.5
280.10953	1.7
281.08139	2.1
282.05551	2.2
282.08859	8.8
285.07788	1.8
287.09433	2.3
290.09402	6.1
291.10193	14.8
292.07373	5.8
292.10519	1.6
293.08078	12.2
294.08728	2.4
299.09149	4.1
300.06366	1.9
301.06882	2.1
304.07281	2.7
305.08176	4.1
305.11725	3.0
306.08817	2.2
307.09650	15.7
308.10379	9.2
309.11264	2.4
310.08517	7.2
311.12939	3.5
315.08630	47.0
315.14105	2.1
316.09082	3.4
318.08783	2.5
319.09637	8.5
320.10193	1.6
321.07553	4.7
321.11246	2.8
322.08414	1.8
322.11771	2.2
323.09341	2.7
323.12732	15.5
324.13116	1.9
325.10538	2.4
328.09421	3.2
330.10989	61.9
331.11621	13.3
336.09933	6.9
337.10791	7.7
339.12076	9.9
341.10211	2.9
341.14185	1.6
343.11771	17.0
350.11185	2.0
351.12271	28.0
352.12976	6.1
353.10092	10.4
356.12607	2.4
368.12750	12.7
369.13217	3.6
371.14975	5.5
373.77762	1.6
383.14911	100.0
384.15112	9.6
401.15787	61.7
401.21475	25.0
402.14487	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
64.19950	0.3
64.23740	0.4
69.07085	0.3
70.36171	0.7
75.50152	0.3
79.05507	0.5
81.07018	0.4
87.93108	0.3
91.05479	0.4
97.06564	0.3
119.01915	0.8
124.92079	0.3
145.03519	0.5
218.70793	0.4
244.35815	0.3
271.04404	1.0
315.17767	1.6
333.18057	0.4
339.17847	0.5
339.49817	0.4
347.18552	0.4
357.18848	11.6
358.19165	0.9
365.19424	2.1
401.17810	100.0
402.18137	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	0.3
64.19950	0.3
64.23740	0.4
69.07085	0.3
70.36171	0.7
75.50152	0.3
79.05507	0.5
81.07018	0.4
87.93108	0.3
91.05479	0.4
97.06564	0.3
119.01915	0.8
124.92079	0.3
145.03519	0.5
218.70793	0.4
244.35815	0.3
271.04404	1.0
315.17767	1.6
333.18057	0.4
339.17847	0.5
339.49817	0.4
347.18552	0.4
357.18848	11.6
358.19165	0.9
365.19424	2.1
401.17810	100.0
402.18137	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01871	13.6
55.05508	21.8
57.03435	10.6
57.07076	13.2
59.05004	12.6
61.02924	14.2
61.29921	2.2
65.03934	4.6
67.05503	32.6
68.13541	2.0
68.99788	12.5
69.03427	63.9
69.07068	100.0
70.07377	2.3
70.25119	5.5
71.01345	2.5
71.04988	10.5
73.02907	10.1
79.05499	23.9
81.03417	59.3
81.06576	3.1
81.07056	76.8
83.04981	41.0
83.08612	18.6
85.02903	87.1
85.06536	7.2
87.00825	41.3
87.04487	3.0
91.05479	32.5
93.07042	85.9
94.07348	2.9
95.04967	68.4
95.08601	51.4
95.92986	2.2
97.02888	31.7
97.06538	22.8
97.08971	2.3
99.04449	17.6
99.08144	2.8
101.06046	3.4
103.03938	8.7
105.01857	22.6
105.04555	2.9
105.07032	38.7
106.07362	3.4
107.04947	11.4
107.08592	79.8
108.08962	2.5
109.02882	45.2
109.06519	26.0
109.10157	41.6
111.04475	11.5
111.08085	9.7
111.11769	3.3
113.47356	2.2
114.42967	1.9
115.03911	3.8
115.05492	2.8
116.46780	1.9
117.01847	3.6
117.06986	10.7
118.68859	2.1
119.06111	1.9
119.08580	32.7
121.06531	15.0
121.10132	20.7
123.04446	5.2
123.08058	8.3
123.11671	10.7
125.05975	9.9
125.13255	24.9
127.03908	59.6
128.06306	2.4
129.01842	18.3
129.05496	3.4
129.07014	5.0
131.08594	19.3
133.06480	3.7
133.10136	16.5
135.08066	8.3
135.11696	56.5
137.05957	2.6
137.09625	6.9
137.13187	10.4
137.82361	2.0
139.11177	2.8
142.07747	5.4
143.08565	8.7
145.04961	14.5
145.06406	3.8
145.10130	17.3
147.02872	9.6
147.08043	9.6
147.11694	16.7
149.05908	10.5
149.09608	7.0
149.13249	6.9
151.07578	6.7
151.11220	11.9
153.12740	38.0
155.07268	2.2
155.08630	2.6
156.09293	2.4
157.10121	11.5
159.02867	10.9
159.08089	9.3
159.11729	9.7
161.09648	8.8
161.13310	2.7
163.07515	3.7
163.11171	10.0
165.09087	13.8
165.12793	7.5
167.07071	4.4
167.10649	3.0
169.10091	4.8
171.11673	8.8
173.04482	4.4
173.09590	4.5
173.13269	4.9
175.11153	9.9
177.09143	5.0
177.12801	8.7
177.21114	2.3
179.10701	3.5
181.12173	2.9
183.11694	3.3
185.09651	4.1
187.07660	3.0
187.11191	3.7
187.14861	2.3
189.03949	11.0
189.12679	4.7
189.66951	2.1
193.12259	7.5
195.13843	3.4
197.13300	4.6
199.11264	4.9
201.12767	8.9
203.10715	3.0
205.08617	2.9
205.12234	2.6
207.13834	6.1
213.03912	5.4
215.14261	5.1
217.12265	5.0
219.13885	6.2
225.12726	6.1
231.04941	14.0
237.14728	2.5
243.13785	14.6
261.14838	17.4
279.15778	4.6
347.15005	3.8
360.70535	2.2
365.15939	10.0
383.16763	7.9
394.98846	2.9
401.17825	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	401.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
53.94238	1.4
55.01872	2.9
55.05509	5.1
57.03438	2.8
57.07074	7.9
57.65018	1.3
67.05504	27.3
67.80798	1.3
69.03426	5.7
69.07070	16.9
69.18946	1.6
79.05490	7.7
81.03414	4.7
81.07056	100.0
82.07407	3.6
83.04995	8.4
85.02904	13.7
85.06540	1.5
87.00822	7.2
88.84905	1.7
91.05484	8.4
93.07043	26.4
95.04990	6.9
95.08604	56.1
96.08930	1.5
97.02886	6.8
97.06519	2.7
99.04445	1.7
105.01850	3.5
105.07025	5.4
107.04976	1.4
107.08588	14.6
107.82166	1.5
109.02895	4.2
109.10161	24.5
115.03944	5.2
117.06960	2.3
119.08591	2.9
121.06489	1.7
121.10125	3.5
123.11663	1.5
127.03930	5.2
133.04930	1.5
133.10110	3.5
135.08080	3.0
135.11705	15.5
137.13249	36.1
139.07462	1.4
145.05013	2.5
147.11763	2.0
153.12704	2.9
159.02876	2.5
165.12796	2.9
175.11273	1.6
177.09114	2.1
195.13805	1.5
261.14825	2.3
401.16583	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.01875	4.3
55.05507	7.4
55.72172	1.0
57.03439	2.1
57.07082	9.4
58.02843	1.0
59.05019	1.6
60.86163	0.9
61.02921	1.3
62.55191	0.9
64.94624	1.0
65.03938	1.4
67.05156	1.9
67.05505	26.4
68.99784	2.4
69.03430	5.3
69.07069	19.0
70.77570	2.0
71.04982	1.2
71.08626	2.2
73.02875	1.2
76.34400	1.0
79.05489	11.1
81.03435	5.8
81.07059	100.0
82.07395	2.7
83.04999	6.8
83.37754	1.0
85.02901	11.7
87.00832	4.9
91.05479	6.6
93.07050	22.2
94.07352	1.1
95.04977	8.5
95.08608	58.8
96.08969	2.3
97.02909	6.8
97.06546	2.2
99.04478	2.8
105.01866	3.1
105.07041	5.8
107.04971	1.5
107.08594	15.4
109.02870	2.4
109.06519	2.0
109.10158	21.3
110.10500	1.2
111.08105	1.2
115.03934	3.8
117.07036	1.2
119.08589	4.1
121.06496	1.7
121.10147	3.7
121.39827	1.2
122.13374	0.9
123.08058	1.5
125.64314	1.0
127.03931	4.0
131.08543	2.4
133.10156	1.7
135.08075	1.5
135.11688	15.2
137.13261	33.1
138.13562	1.4
139.07558	1.2
145.04997	1.9
145.10074	1.3
147.11664	1.9
149.02345	10.7
149.09618	2.3
151.11165	1.4
153.12741	2.0
159.02959	2.5
161.09662	1.2
165.09097	1.2
165.12747	5.9
177.09094	1.7
177.12798	1.8
183.08209	1.0
186.53665	1.2
189.03931	1.6
195.10112	1.4
207.13788	2.2
211.09908	1.0
243.13899	2.4
261.14941	2.6
269.85117	1.1
284.84952	1.0
383.16745	2.6
401.20282	1.3
402.27277	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.9
54.15721	3.1
55.01862	15.4
55.05509	13.5
57.03442	8.7
61.02922	7.5
67.05502	16.7
68.99806	8.6
69.03439	47.6
69.07044	15.0
71.04980	7.7
71.47392	4.1
73.02911	7.4
79.05498	32.8
81.03419	37.3
81.07056	56.7
83.04974	13.2
83.08619	6.1
85.02908	100.0
86.09686	8.2
87.00827	35.7
91.05479	30.9
93.07043	75.0
94.07262	3.6
95.04965	13.3
95.08601	41.1
97.02893	37.7
97.06524	14.1
99.04444	14.7
105.01867	38.1
105.07041	38.3
107.04969	24.7
107.08594	95.2
109.02875	23.5
109.06513	12.9
109.10149	14.9
111.04446	9.2
111.08096	4.5
115.03936	10.6
117.07050	9.2
119.08585	20.9
121.06496	15.3
121.10147	13.0
123.04420	12.0
123.08050	6.7
127.03909	52.8
129.01843	8.6
129.07018	7.5
131.08559	11.6
133.10133	41.3
135.08072	11.8
135.11693	60.7
137.05957	8.3
137.09615	19.9
137.13222	12.0
143.08566	11.6
145.04936	21.9
145.10106	11.1
147.02817	4.5
147.11685	16.7
149.05966	7.7
149.09622	4.1
149.13268	11.4
153.12717	21.4
155.08530	4.6
156.05653	6.5
157.10095	7.3
159.02925	13.4
159.08075	12.7
159.11710	18.7
161.09601	5.1
163.11143	20.4
165.12740	22.3
167.07037	57.7
173.13239	5.5
175.11176	7.1
177.05478	5.9
177.12761	11.9
181.05008	6.5
181.08614	6.4
187.07553	8.4
187.11203	5.0
189.03857	5.2
191.14302	15.1
193.12248	7.7
197.13339	5.3
203.10672	4.4
205.08571	11.9
205.12280	6.6
207.06517	6.8
208.05032	4.5
209.08112	6.3
209.15372	8.9
217.08621	31.3
219.08022	7.5
219.10159	5.5
220.08815	4.5
223.13310	17.9
225.12802	6.3
229.08598	4.5
231.04927	7.2
231.08112	4.1
243.13774	16.1
247.07495	13.9
247.09647	10.0
248.08185	9.4
261.09042	4.8
261.14893	42.7
262.09818	7.2
263.10675	6.3
271.09558	5.6
276.07806	6.5
279.10190	9.1
279.15738	5.4
282.08835	4.7
291.10184	11.4
293.08002	7.7
297.16721	7.6
301.07074	7.7
307.09799	9.7
315.08539	21.8
319.09741	6.1
321.16864	10.5
323.12714	12.4
324.09756	5.5
330.10953	20.4
331.11646	9.4
334.85944	4.2
337.10413	5.2
339.12204	8.5
343.11746	5.0
347.14850	21.7
351.12354	13.1
351.26321	3.9
355.03629	5.9
365.15894	16.8
368.12244	6.4
369.13281	12.2
383.14697	47.8
401.15671	22.9
401.21405	42.7
401.28732	10.8
402.14453	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	401.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64582	14.9
51.97445	13.0
52.81567	12.7
54.11953	17.1
54.82621	12.1
55.05519	13.7
61.93465	14.7
67.05508	21.7
69.07076	13.8
70.52033	13.6
71.05013	14.6
79.05482	31.1
80.48278	15.6
81.07061	35.3
86.30813	13.2
91.05495	29.9
93.07053	18.3
95.08595	14.6
106.28206	13.6
108.38128	13.8
109.06502	15.7
129.72231	12.8
137.84831	13.4
163.11053	17.5
236.69063	14.8
239.15816	15.2
299.06406	14.5
354.63196	15.3
401.15479	25.4
401.22998	100.0
401.28366	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	401.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.0
55.05516	45.0
57.03439	59.9
57.07097	6.8
57.72330	3.2
63.36389	3.5
67.05503	81.8
68.85461	3.8
69.03431	9.2
69.07067	55.7
71.01344	3.7
71.04999	38.5
77.03932	5.0
79.05493	71.3
81.03403	19.5
81.07059	100.0
83.05002	18.3
83.08629	21.2
85.06541	13.3
86.09773	3.9
91.05492	47.0
93.07042	67.2
95.04983	29.8
95.08607	55.5
97.06546	61.2
97.10165	20.3
99.08098	5.9
100.44436	3.7
102.91582	4.1
105.04528	4.6
105.07037	36.6
107.04959	14.6
107.08591	34.8
109.06519	31.7
109.10168	21.3
111.04485	4.4
111.08074	5.7
111.11723	4.0
113.05992	14.5
115.07582	12.0
117.07019	15.2
119.08598	30.3
121.06500	12.0
121.10144	33.2
123.08079	19.4
123.11717	7.8
125.09650	23.9
127.07549	4.7
129.07022	9.6
131.08557	23.6
133.06532	3.2
133.10144	14.7
135.08070	12.1
135.11717	9.9
137.09686	5.6
139.11185	8.6
143.08513	6.7
145.10130	17.0
147.11658	17.8
149.09619	7.9
149.13295	7.6
151.08685	8.8
151.11226	3.6
157.10194	6.7
159.11742	7.2
161.09602	9.3
161.13283	5.7
163.03922	5.1
163.11246	9.1
165.12794	6.9
173.09650	3.9
175.11179	5.4
177.12805	5.4
179.14432	3.9
186.22197	5.2
189.11246	15.3
191.14191	4.2
193.12221	4.7
195.13782	9.4
219.13895	5.7
221.15335	13.1
223.13257	4.9
233.15369	5.7
245.13783	8.4
245.19414	4.0
254.93242	4.7
255.17516	5.0
269.17551	5.3
273.18439	31.3
291.19571	40.8
292.19861	5.9
299.12640	6.7
307.18988	12.9
310.89005	3.8
347.22134	11.4
355.62347	4.9
365.23401	21.2
366.23334	6.0
383.24307	24.4
401.24966	15.8
401.29044	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	401.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.8
56.80402	1.4
57.07078	3.1
61.87090	1.5
67.05498	5.7
69.03413	2.3
69.07073	3.0
69.33018	8.1
71.05003	2.2
79.05493	3.7
81.03415	2.4
81.07052	9.7
83.08595	2.6
85.02913	4.9
85.06541	20.3
91.05481	7.1
93.07042	4.4
95.08612	6.1
97.02895	1.8
97.06482	1.5
99.08114	2.9
105.07024	4.9
107.08576	4.7
109.10207	2.6
111.08109	2.7
116.22070	1.5
117.07039	2.2
119.08585	100.0
121.06521	3.4
121.10129	6.1
123.11720	6.5
125.09621	3.0
127.03876	2.2
129.07016	1.9
131.08594	3.6
133.10130	4.2
145.10107	2.8
147.11748	3.2
149.06039	1.3
151.62508	1.6
157.10016	1.9
158.46559	1.7
159.11732	3.5
161.13310	2.0
163.14798	1.8
167.07011	2.4
203.17924	4.1
221.18985	8.0
239.19942	2.1
261.18823	1.7
401.12616	2.8
401.21323	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	401.2842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	9.3
57.07069	4.7
59.05005	3.8
60.42368	1.9
63.94465	2.1
65.03937	3.1
67.05505	15.8
68.91538	1.6
69.07053	13.4
70.06609	2.5
71.04996	12.7
79.05499	26.4
81.07056	31.7
83.08603	6.1
86.99320	1.8
88.07629	2.6
91.05482	47.1
92.06270	2.5
93.07051	57.4
95.04958	10.6
95.08611	24.4
97.06532	4.6
103.05462	4.4
105.04510	2.1
105.07032	100.0
106.07349	3.7
107.08604	44.3
109.06519	53.3
109.10142	13.7
111.08066	8.7
115.05421	5.0
116.06256	3.4
117.07015	31.5
119.06060	2.2
119.08585	82.0
121.10143	18.3
123.08096	3.5
123.11719	2.1
128.06210	14.4
129.07013	22.9
130.07806	9.1
131.08569	65.1
133.10130	87.5
134.10455	3.3
135.08072	16.9
135.11705	23.9
137.09605	7.1
138.73236	2.4
141.06990	7.5
142.07773	32.1
143.08566	47.1
144.09344	11.6
145.10127	98.8
146.10519	3.8
147.08023	6.4
147.11707	17.2
149.09599	4.8
153.06955	2.5
154.07802	3.3
155.08571	19.6
156.09367	20.9
157.10144	62.7
158.10883	13.1
159.08031	2.8
159.11699	30.8
161.09578	4.9
161.13295	2.9
165.07060	6.3
166.07776	4.7
167.08556	9.6
168.09334	7.4
169.10144	27.2
170.10870	9.1
171.11681	33.9
172.12370	3.2
173.13264	43.5
174.13525	2.0
175.11230	3.6
175.14828	14.9
179.08559	14.4
180.09389	5.5
181.10124	12.1
182.10847	8.9
183.11740	21.8
184.12476	3.9
185.13226	16.7
187.11235	3.0
187.14809	36.4
189.12727	4.6
192.09265	2.9
193.10133	11.7
194.10896	11.6
195.11693	17.3
196.12399	5.9
197.13268	18.5
199.14798	21.2
201.12714	6.9
201.16394	5.6
205.10120	3.3
206.10922	8.6
207.11688	15.8
208.12502	7.4
209.13281	24.9
210.13934	3.2
211.14804	10.8
213.12770	6.5
214.05254	2.1
219.11667	4.1
221.13242	13.4
222.13861	3.8
223.14754	10.3
225.12914	2.3
225.16309	4.0
231.11694	4.5
233.13120	3.7
235.14803	6.2
237.16371	8.6
239.17889	2.4
246.14099	2.7
247.14670	3.7
249.16530	2.4
251.17963	7.0
252.18813	3.3
253.19356	3.2
259.14816	4.6
261.16342	4.5
263.17795	3.4
265.19519	8.3
266.20261	4.6
273.16473	2.8
275.17822	5.1
277.19489	5.6
279.17529	2.9
288.18347	2.0
317.22766	2.4
318.23166	2.0
343.24182	4.0
383.32993	4.9
401.13818	7.4
401.17673	7.6
401.28314	22.6
402.18649	4.9
402.28699	3.3
402.39432	3.6
403.66934	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	402.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36510	9.3
72.08150	13.8
79.42616	8.4
86.09704	25.7
131.04871	24.4
140.04707	18.1
141.06937	16.1
155.07019	12.8
173.05936	13.3
187.03935	22.4
189.05421	12.2
191.06970	24.5
204.04167	14.8
219.06569	27.5
234.39720	9.4
240.34804	10.0
260.06772	21.9
275.09103	100.0
277.06982	17.8
287.05554	18.6
319.07983	32.1
337.09250	54.8
364.02231	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	402.14
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.7
56.31291	1.8
56.96559	2.2
57.69464	1.7
61.02926	5.9
69.03440	4.2
69.29350	9.3
72.08165	2.7
73.02908	2.2
79.05494	2.4
81.03413	2.8
85.02905	12.7
87.00835	5.4
91.05482	2.0
93.07079	2.3
95.01344	5.2
97.02892	5.9
97.14011	1.9
98.97586	10.5
99.04455	3.1
99.05065	2.3
103.05476	3.0
105.01862	3.9
105.07040	12.9
107.04955	4.6
109.02938	2.4
110.97548	1.8
111.00823	4.3
115.05441	5.2
117.07007	5.0
121.06528	6.7
127.03913	11.9
129.01849	2.2
131.04950	6.0
133.06499	18.3
136.05223	1.9
137.06017	2.2
138.02769	1.9
140.74330	1.9
145.04971	7.3
145.06500	8.4
147.04396	4.3
147.08038	3.6
148.05193	5.7
149.06000	7.3
159.02986	3.2
161.05977	24.0
165.05377	2.2
167.07045	100.0
168.07370	2.4
171.07930	2.8
173.05981	9.8
175.07515	2.9
176.04666	7.6
177.05536	11.8
178.06281	12.0
179.07005	5.6
181.08614	20.9
187.07635	2.7
189.00826	2.1
189.05440	5.1
190.06262	2.7
191.07045	10.1
193.04921	3.2
193.08606	31.7
193.10187	3.5
194.05696	9.7
194.08902	2.1
195.06482	7.3
197.08057	4.4
203.07143	2.2
205.08562	10.1
206.05821	2.8
207.06532	7.9
208.07201	2.3
209.08095	30.6
211.09698	13.4
215.07043	3.6
217.08688	2.9
219.01964	2.2
219.06569	5.8
220.07306	5.6
221.08084	11.7
223.06029	2.7
223.09682	4.8
227.07109	3.0
231.04900	2.6
233.07959	4.5
237.02762	2.5
237.07594	12.6
239.09122	13.6
249.07651	5.7
251.09128	2.2
255.08638	18.2
261.07587	5.3
269.10220	11.7
275.09158	2.3
277.07297	2.6
279.08652	3.7
293.10123	9.2
297.09634	9.7
303.08759	2.3
305.10187	8.2
307.08057	6.4
321.06143	3.7
321.09698	52.5
322.10056	3.6
323.11279	38.3
324.11435	2.7
329.12390	3.9
331.07983	2.7
339.10785	38.0
340.11264	2.4
349.09171	68.5
357.11795	67.9
358.12088	5.6
360.09683	15.8
367.10208	17.4
402.13608	2.6
402.18640	4.2
403.13776	10.1
403.18985	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05185	0.3
62.03949	0.4
67.05490	0.7
69.03439	2.4
69.51102	1.8
71.05015	0.4
73.02908	1.0
75.67388	0.4
77.47860	0.4
79.05488	1.4
81.03419	0.9
81.07031	0.6
83.05004	0.4
84.04482	0.9
85.02917	4.5
86.09736	0.5
87.00829	1.7
87.04467	0.7
89.06033	1.8
91.05483	42.0
92.05817	1.2
93.07009	0.6
95.04971	0.9
95.08597	0.6
97.02901	2.9
97.06542	0.5
99.04436	0.6
103.05462	0.4
105.01868	5.5
105.07019	0.6
107.04869	0.4
107.08596	1.8
109.02859	0.8
109.06540	1.0
109.10182	0.7
116.07211	0.4
119.08582	100.0
120.08904	3.8
121.06495	0.5
121.10147	1.6
125.09676	0.5
127.03931	4.3
129.01848	0.5
129.06999	0.7
131.08594	0.7
133.08653	0.9
133.10107	0.9
135.08099	0.6
136.11316	0.5
145.04976	4.9
147.11780	0.5
149.09682	0.8
149.13289	0.6
151.11198	2.1
157.10083	0.5
163.14806	0.7
167.07066	0.7
173.13210	0.7
177.11223	0.4
180.10193	0.4
181.32593	0.4
184.05376	0.4
188.78615	0.5
191.14316	2.5
209.15352	5.2
223.06186	0.5
231.04982	2.3
248.42482	0.4
249.06030	2.0
284.09830	0.6
317.15735	0.8
359.16779	4.4
402.14713	2.0
402.26761	0.9
403.15784	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	402.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.6
62.73074	2.2
67.05520	3.2
69.03426	6.8
71.04993	7.1
71.46564	3.1
72.08154	6.0
79.05502	5.5
81.07045	4.8
83.05001	9.0
84.04504	3.1
85.02911	9.0
86.09719	11.7
91.05470	3.6
93.07055	10.8
95.04980	2.6
99.04420	2.7
105.07032	8.9
107.04961	6.6
107.08568	4.5
109.06508	4.3
119.08620	7.3
121.06522	16.2
121.10146	10.9
123.08062	7.4
129.01857	2.8
135.08057	6.2
137.09659	5.8
143.08546	2.8
145.10153	17.7
147.08040	12.5
149.05986	43.4
151.03946	4.3
159.11748	5.0
161.09685	10.1
162.10471	7.1
163.03943	2.5
163.07587	2.8
163.11194	92.9
164.07018	3.1
164.11581	2.7
167.06969	3.1
177.12761	13.4
187.11174	3.0
205.10321	4.9
205.12253	100.0
223.13287	47.4
254.05098	2.8
254.67400	2.5
280.11774	2.3
280.65155	2.8
383.08994	2.7
402.11749	10.6
403.19217	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	402.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60774	0.2
53.03956	0.3
53.28246	0.3
56.96571	0.4
63.74733	0.3
70.75030	0.3
70.75396	0.3
72.08179	0.3
84.08164	0.3
91.05464	2.7
92.42993	0.2
93.07049	5.2
95.04984	1.0
98.97604	1.1
103.05485	3.7
105.04524	0.7
105.37141	0.3
116.98670	0.4
121.06513	100.0
122.06835	2.7
129.10252	0.4
138.09149	29.8
139.09496	1.0
146.79388	0.3
257.55850	0.2
360.06757	0.4
402.07819	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.9
67.05492	8.1
69.07059	6.9
69.38567	18.4
73.30777	3.3
79.05486	15.7
81.07063	66.0
91.05468	20.5
93.07044	22.2
95.04967	5.7
95.08617	31.3
105.07030	53.7
107.08604	40.0
109.10133	9.6
117.07056	4.4
119.08586	98.0
121.10156	13.5
123.08064	3.9
123.11707	6.1
131.08618	4.8
132.05797	3.4
133.10132	30.2
135.11678	36.7
143.08562	6.3
147.11691	12.3
148.18739	3.4
157.10098	5.5
159.11690	15.5
161.09677	3.7
161.13237	52.5
189.16388	100.0
217.15897	14.6
307.20120	3.5
366.19598	5.3
367.17404	9.0
402.16074	3.8
402.27161	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	402.2854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	14.0
55.05510	35.7
56.14290	6.7
57.03437	29.8
65.03924	7.4
67.05508	95.8
69.07065	64.5
77.60960	7.1
79.05507	78.5
81.03413	8.2
81.07066	100.0
81.07803	8.2
83.04993	16.0
83.08598	25.2
85.06550	15.2
91.05479	85.9
93.07054	85.7
95.04983	22.4
95.08624	57.7
97.06529	21.7
97.10191	15.8
105.07033	63.8
107.04898	12.5
107.08600	53.2
109.10168	32.9
110.69979	7.6
111.08067	8.1
117.07021	22.7
119.08555	43.0
121.10127	30.3
123.08077	9.9
125.09627	13.9
129.07019	9.1
131.08553	46.2
133.10129	39.5
135.08041	13.2
135.11729	18.7
143.08594	15.0
145.10141	33.5
147.11697	19.3
149.09665	9.2
157.10164	11.1
159.11700	29.7
173.13240	15.4
194.28537	9.1
199.14963	10.9
227.12834	9.7
229.14326	16.4
245.13959	10.7
255.15816	14.0
264.27933	9.6
269.17529	46.0
275.20108	64.8
286.20383	9.3
309.20624	34.6
349.23743	66.9
367.24783	16.3
373.09067	19.3
402.28751	13.8
403.13733	24.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	74.8
55.05516	61.4
57.03436	11.3
67.05510	45.3
67.80544	2.7
69.03429	5.2
69.07083	14.9
71.08645	5.1
74.37337	2.5
79.05495	22.2
81.03438	7.2
81.07064	34.0
83.05012	6.9
83.08629	20.0
91.05485	12.2
93.07043	27.1
95.04981	14.1
95.08627	19.2
97.10173	39.1
99.08140	6.0
105.07047	8.3
107.04971	13.4
107.08630	17.1
109.06576	6.3
109.10152	18.6
111.08057	3.5
117.07033	7.0
119.08565	7.8
121.06522	4.3
121.10163	7.0
123.08117	6.1
125.09641	100.0
131.08582	8.1
133.10173	5.7
135.08081	13.4
135.11659	5.2
137.09650	7.5
145.10187	5.3
147.11713	3.0
147.52615	3.1
149.09622	6.0
149.13329	3.3
151.11223	12.5
153.09111	5.0
156.76782	3.2
163.11111	3.3
167.10645	3.6
173.11761	5.9
177.12753	16.8
187.11185	3.6
189.11195	23.7
199.13361	11.7
208.95589	3.5
227.12788	52.9
229.14357	25.1
243.15892	7.4
245.13780	16.2
247.20523	5.6
257.19022	8.2
275.20068	44.2
293.21094	32.7
294.21252	5.0
349.23721	12.7
367.24802	90.0
368.25134	4.2
402.19449	5.3
402.26227	4.0
403.13837	4.0
403.20782	4.5
416.19904	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97287	11.6
55.05504	25.8
57.03436	23.1
61.43654	9.8
62.98279	12.4
67.05497	33.1
68.58183	10.1
69.07080	37.9
70.37048	21.7
71.74018	11.7
79.05500	44.8
80.94892	16.1
81.07060	41.4
83.08620	12.1
91.05482	31.9
93.07041	46.5
95.08596	21.4
97.10171	35.4
98.81693	11.5
100.79551	11.2
105.07024	42.8
107.08601	64.8
109.10141	13.8
117.07011	22.1
118.85033	12.7
119.08598	34.2
121.10151	12.0
125.09632	18.7
129.01868	17.3
131.08633	22.0
133.10191	31.4
145.10112	25.3
149.09680	14.0
177.55368	10.9
185.13297	16.6
189.11223	20.6
212.06232	11.9
227.12779	34.1
257.19034	31.9
275.20163	45.0
349.23608	100.0
403.16443	12.5
403.20963	62.4
425.92328	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07539	1.4
54.61553	1.4
56.96565	4.3
70.09332	1.7
81.91191	1.7
86.71545	1.6
93.43608	1.8
98.97583	46.2
99.97931	1.8
116.98625	25.0
119.01925	5.7
124.77168	1.7
129.01833	2.2
134.99673	10.4
177.00977	11.4
178.01085	2.0
201.00887	1.9
216.99011	2.9
219.02040	15.9
225.00900	2.9
235.00044	3.4
236.99855	2.8
237.75070	1.5
240.98824	4.4
242.98848	2.1
243.02051	9.7
244.02261	2.2
256.96732	1.9
258.99884	37.1
260.00027	7.1
260.99738	22.7
261.03085	100.0
262.00436	2.9
262.03101	12.5
263.02856	4.7
264.98917	2.4
277.00912	30.8
278.01056	6.8
279.00702	23.8
282.96799	2.5
282.99979	50.8
284.00137	6.2
284.99936	13.1
285.99985	2.6
286.99753	5.2
300.97678	3.5
301.01074	56.6
302.01038	8.1
303.00906	13.0
304.00989	4.6
305.00809	6.4
343.02063	2.8
360.99789	2.6
361.03693	2.6
367.02255	2.7
380.96732	16.7
383.00540	2.5
384.99274	5.1
385.03854	15.4
386.03384	3.0
398.97833	39.7
400.49332	2.1
401.01080	4.8
403.00229	30.4
403.04944	8.4
404.00766	4.7
404.20688	8.0
420.97574	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	403.137
Annotation	5,6,2',3',5',6'-Hexamethoxyflavone
Peak:m/z	Relative Intensity
69.03448	4.0
72.08151	9.6
83.04978	3.7
85.02898	10.8
86.09717	6.5
91.05462	2.6
93.07037	4.1
95.08600	4.0
97.02909	2.3
98.97582	3.0
105.07027	3.2
107.08612	6.2
119.08611	3.3
121.06510	2.0
121.10158	5.5
123.08106	2.2
126.48585	1.8
127.03953	2.3
129.01843	6.0
134.73595	1.6
135.08067	7.7
137.06004	4.0
137.09613	7.0
139.00372	2.4
139.07568	6.6
143.03334	1.8
143.10703	2.6
145.05078	2.0
167.07007	3.8
171.11366	2.5
175.10730	2.4
181.08580	5.7
201.12291	2.8
205.12367	3.6
207.13792	6.8
223.13271	11.0
229.11772	2.2
241.10399	3.9
241.14401	11.3
343.10941	2.2
385.18393	4.0
403.13815	100.0
403.19440	28.6
404.13931	5.3
404.20563	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	403.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	3.0
56.29352	2.0
56.96565	17.1
66.06538	1.9
69.89616	5.9
76.48067	1.8
80.94854	2.1
82.34399	1.9
83.04954	1.8
84.96030	9.1
88.61040	1.9
98.23450	4.1
98.97578	58.5
100.11231	5.8
110.97559	14.1
112.99146	3.1
116.98618	24.3
124.99103	2.3
125.03953	2.6
128.98628	11.9
129.01825	5.7
134.99643	7.6
136.92444	1.8
140.98610	5.1
143.00175	7.9
144.98099	2.7
146.99675	4.4
152.98610	7.2
157.01305	3.4
158.99675	13.1
161.01207	8.6
162.99185	2.1
168.90662	2.0
170.99655	8.1
173.01234	3.0
177.00705	12.2
182.15292	2.6
185.08052	2.3
189.00728	3.1
201.00656	3.2
219.01776	17.5
233.10674	4.5
237.02805	28.5
317.12692	35.6
317.16238	3.1
335.13754	100.0
336.14035	5.5
353.14789	2.5
358.15469	9.2
359.13754	11.5
377.14789	25.0
378.14728	2.9
395.89435	2.1
400.16428	3.3
402.27127	4.7
403.13235	25.0
403.27448	8.2
404.20508	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	403.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70989	0.7
55.01873	3.4
63.23455	0.7
67.05502	1.4
71.47545	0.9
73.83603	0.8
79.05477	0.9
81.07068	1.6
84.32492	0.8
87.04488	1.3
91.05476	1.2
93.07060	1.3
95.04945	0.9
98.97602	0.9
100.11274	1.6
103.05489	1.1
105.07024	4.2
107.04981	1.2
109.06534	1.1
111.04452	1.0
116.49923	0.8
120.08108	0.9
123.04486	1.4
129.01863	3.3
133.06512	3.0
139.00247	1.1
145.10202	0.9
146.06042	1.7
153.05522	1.1
158.09697	1.1
161.06017	4.0
167.03397	0.9
167.07048	33.0
170.08376	1.1
181.04944	1.4
182.09662	0.9
184.09891	1.0
185.07037	1.4
185.10779	2.7
186.09167	1.0
187.11185	0.8
188.03322	0.8
193.08675	4.7
196.09985	1.0
198.07751	4.1
199.08687	9.9
200.09326	0.9
201.10097	0.9
209.10770	2.4
210.09134	1.9
212.09448	4.6
213.06897	4.2
213.10219	18.8
214.07339	1.7
214.10791	1.4
215.08269	1.0
223.08633	1.3
225.10277	2.2
226.07434	2.2
227.08185	11.3
227.11726	9.5
228.08885	6.0
229.06061	1.3
229.09692	4.5
237.10236	3.5
239.08235	1.6
239.11839	0.9
240.08838	6.7
241.06100	9.7
241.09717	37.0
242.10349	4.0
242.17528	2.0
243.11292	0.9
246.35129	0.9
253.09789	1.9
254.10393	1.1
255.07623	4.8
255.11288	37.1
256.08661	1.6
256.11725	2.7
257.09140	5.4
265.09717	3.9
267.11288	2.2
268.08505	1.7
269.09216	25.3
270.09912	7.8
282.09787	1.2
283.07712	1.6
283.10800	43.8
284.11102	2.0
287.13922	2.8
292.34299	0.8
293.09229	1.9
311.10266	29.3
312.10623	2.1
315.09921	1.5
315.13290	8.6
317.13144	0.8
325.11801	2.8
329.11230	2.2
339.09732	6.9
343.12900	100.0
344.13193	7.2
353.11316	2.6
367.21021	0.8
371.12384	80.0
372.12692	5.7
385.13873	1.3
389.13348	1.5
403.14923	19.1
404.15353	1.2
404.20609	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	403.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.7
55.01875	24.4
55.05509	10.1
57.03440	15.2
57.07073	4.4
58.69297	2.0
59.05018	2.4
61.02935	3.5
65.03941	2.6
67.05513	15.6
68.99793	15.0
69.03428	28.6
69.07059	9.7
69.40079	1.9
71.01357	7.7
71.04996	22.5
71.45878	2.5
73.02918	7.9
77.03893	2.5
79.05499	15.7
81.03421	45.7
81.07062	21.1
83.04974	16.2
83.08633	5.4
84.08131	3.2
85.02905	39.9
85.06547	18.5
87.00838	14.8
87.04483	4.7
91.05484	31.4
92.05790	3.6
93.07047	20.3
95.01356	2.1
95.04974	24.4
95.08607	21.1
95.27710	1.9
97.02900	36.9
97.06538	6.2
97.10172	2.1
98.97527	1.9
99.04469	10.7
103.03957	7.2
103.05437	2.6
105.07037	47.6
107.04961	11.5
107.05596	2.1
107.08592	23.7
108.08945	2.4
109.02892	24.3
109.06522	73.0
109.10175	4.0
111.00858	2.0
111.04452	23.2
111.08079	6.9
115.03929	13.8
115.05465	7.1
117.07025	19.6
118.07380	2.6
119.04944	6.0
119.08586	54.4
119.30917	1.8
120.08931	2.8
121.06524	9.5
121.10143	20.4
123.04448	15.3
123.08077	62.5
124.08387	2.7
125.06053	2.7
125.09641	7.5
127.03920	41.3
128.06230	13.8
129.01852	7.7
129.05495	4.1
129.07010	23.8
130.07794	7.6
131.04884	5.5
131.08577	29.9
133.06477	20.7
133.10143	26.9
135.04387	4.0
135.08073	9.7
135.11694	3.8
137.05998	5.5
137.09602	5.0
137.13275	8.0
139.03961	3.7
141.05605	1.6
141.05959	2.2
141.06960	13.5
142.07800	13.0
143.08572	34.7
145.06480	14.5
145.10132	74.2
146.07219	3.3
146.10477	2.8
147.08043	17.9
147.11696	24.9
149.06018	3.3
149.09578	9.7
149.13280	2.3
151.11209	4.3
153.05560	11.8
153.06830	10.2
154.07721	5.5
155.08559	25.3
155.14316	11.8
156.09335	24.4
157.06548	7.8
157.10136	30.2
158.07300	2.8
158.10817	5.5
159.02827	2.4
159.08060	16.6
159.11708	21.1
161.06039	3.4
161.09579	11.3
161.13287	4.7
163.07567	3.1
163.11180	9.9
165.05734	2.8
165.06985	13.3
166.07780	4.4
167.07043	6.7
167.08604	14.3
168.09348	8.4
169.10152	20.2
170.10913	5.6
171.02907	13.0
171.08041	14.4
171.11694	37.0
172.08852	2.2
172.12004	3.4
173.06015	3.0
173.09628	15.0
173.13264	24.5
175.07542	16.5
175.11182	20.4
177.09140	3.0
177.12700	2.4
178.07771	3.6
179.08580	11.9
179.10745	5.4
180.09373	11.4
181.05026	3.2
181.06480	4.8
181.10164	12.0
182.07402	3.0
182.10928	5.3
183.08084	13.5
183.11696	18.4
185.09691	8.8
185.13251	16.0
187.07568	4.8
187.11154	12.3
187.14861	4.1
189.09142	9.1
189.12753	24.5
191.06987	2.2
191.08568	4.6
191.14285	9.2
192.09265	4.4
193.10123	7.2
194.11034	3.7
195.08110	7.3
195.11703	24.9
196.08707	3.6
196.12358	3.1
197.09637	16.5
197.13269	14.5
198.10445	2.9
199.07576	3.2
199.11191	15.2
201.09146	7.6
201.12775	7.2
203.07100	6.1
203.14439	9.3
205.10223	3.9
206.10931	8.5
207.08160	2.4
207.10048	4.0
207.11848	3.0
208.08856	8.4
209.09717	10.6
209.13284	5.9
209.70453	2.2
210.10446	4.6
211.07622	3.0
211.11127	10.7
211.14859	10.6
212.11832	2.0
213.03973	5.1
213.09178	3.9
213.12750	25.6
215.10725	6.1
215.14284	4.4
215.16138	2.2
217.12291	5.8
220.12547	4.2
221.13274	17.7
221.15279	2.7
222.10593	2.7
223.11191	45.6
224.11824	6.7
225.09142	6.8
225.12775	4.6
227.14313	11.4
229.12352	5.5
229.16011	2.7
231.04984	4.8
231.13791	11.1
233.09628	4.6
235.14941	3.8
237.12825	4.5
238.13547	15.2
239.10698	3.7
239.14308	47.2
240.14703	4.7
241.12202	26.5
243.13812	2.9
253.15903	6.3
255.13800	5.6
257.15353	17.8
259.13300	5.2
261.11234	6.4
263.14325	11.9
266.13120	2.6
269.15555	2.6
275.16391	2.5
281.15353	93.3
282.15698	7.0
299.16422	35.9
300.16833	4.8
317.17432	15.3
335.18640	8.8
345.13263	4.9
359.18625	6.2
385.16425	11.2
386.16589	2.4
403.17551	100.0
403.22510	4.4
404.16977	6.3
404.21024	7.4
421.18536	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	403.2094
Annotation	Met Pro Arg
Peak:m/z	Relative Intensity
53.28307	0.4
55.05505	0.6
57.03447	0.4
67.05501	1.1
69.07033	0.5
69.87828	0.5
69.88191	1.2
73.99934	0.4
79.05472	0.6
81.07066	1.0
91.05479	0.7
93.07062	0.8
96.01873	0.8
105.07026	0.5
107.08626	0.5
109.10161	0.5
129.01859	0.6
142.58163	0.4
151.06483	0.4
151.07498	2.2
181.08643	1.2
182.71434	0.4
185.08189	0.5
241.48216	0.4
258.19131	0.4
329.17267	1.4
345.16888	0.5
350.24051	1.1
403.20920	100.0
404.21075	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	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
57.03442	2.0
61.02925	2.4
65.03947	1.0
69.03429	4.8
69.55690	2.0
69.56076	1.5
70.59147	0.9
71.74525	0.8
73.02898	1.3
81.03436	2.5
85.02906	18.3
91.05482	13.9
95.04950	0.9
97.02905	5.2
103.05448	0.9
109.02907	1.7
118.04179	1.4
119.04946	21.2
121.06551	1.2
127.03919	3.7
145.04936	6.3
147.04407	22.8
150.27193	0.9
157.03958	2.5
164.04742	1.7
175.02393	2.0
175.03909	38.4
176.04274	1.0
179.07065	2.5
180.08719	3.5
192.04152	9.3
193.04974	1.9
207.06525	100.0
208.06862	3.3
214.03154	0.8
225.07578	45.4
226.07935	2.8
265.35110	1.0
404.20465	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
57.03436	0.8
57.07066	0.9
61.02916	1.6
63.18491	0.5
65.03925	0.8
65.51236	0.5
65.68227	0.5
67.05489	1.7
69.03426	3.3
69.44704	1.4
69.45117	1.2
77.03897	0.7
79.05481	1.3
81.03400	0.7
81.07059	9.0
85.02900	43.1
86.03215	0.6
86.09698	1.3
87.04465	1.0
91.05477	13.5
93.07033	1.1
95.04939	0.8
95.08596	2.3
97.02860	2.5
103.05433	0.9
105.07037	3.3
107.08580	2.1
109.02859	0.7
109.06512	1.3
109.10156	4.7
112.25574	0.5
118.04125	1.0
119.04939	23.9
119.08592	5.2
121.06493	0.9
121.10110	3.9
123.08057	0.9
123.11701	45.4
124.12022	1.1
125.05947	2.8
125.09594	0.5
127.03921	1.2
128.91365	0.5
131.08553	1.3
132.02095	0.9
136.05180	0.5
141.07123	0.5
143.08580	0.7
145.04973	1.9
145.10120	1.7
146.03619	0.6
147.04402	19.0
147.08028	0.7
147.11676	6.0
149.02345	1.0
149.09618	3.1
151.07510	1.2
156.09338	0.8
157.04012	2.9
163.11227	0.9
163.33858	0.5
164.04671	2.4
165.12802	0.8
171.11621	0.8
175.03902	43.2
176.04263	1.4
177.01782	0.6
179.07033	1.4
180.08707	1.8
183.06639	0.5
189.12727	9.6
192.02486	0.3
192.04149	11.4
207.06514	100.0
207.13789	31.2
208.06926	3.2
208.14124	1.5
221.42722	0.5
225.07568	39.6
225.14827	8.6
226.07918	2.0
337.01340	0.6
341.58322	0.6
404.20724	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75534	0.5
53.03965	0.6
61.02913	1.2
65.03923	0.8
69.03433	2.5
69.63806	2.0
69.64150	0.6
72.04515	0.9
72.08179	2.7
73.02929	1.0
84.08160	1.0
85.02911	7.2
86.09715	3.3
88.02229	1.5
91.03944	0.9
91.05478	12.1
97.02902	2.5
99.04462	1.1
99.05577	1.7
103.03918	0.7
118.04128	0.8
119.04942	23.1
121.06522	0.7
127.03914	1.6
132.02087	0.7
132.04712	0.7
136.05252	0.7
139.79951	0.5
142.08636	1.7
145.04950	1.5
146.29845	0.6
147.04411	20.3
149.02341	1.1
157.03986	3.1
159.05875	0.9
163.03915	0.7
164.04663	1.6
174.03166	1.1
175.03918	42.3
176.04271	1.9
177.01907	0.6
179.07062	1.8
180.08614	1.2
184.09717	0.7
192.04172	12.2
207.06528	100.0
208.06898	4.3
225.07578	36.8
226.07919	1.3
242.04791	0.8
261.12796	0.9
331.92978	0.6
335.40182	0.5
404.20807	2.6
405.16919	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.2
55.07764	0.7
57.03439	0.9
58.98761	0.7
63.52361	0.9
65.03957	1.1
67.05504	0.8
69.03444	1.5
79.05526	3.6
81.03415	1.2
81.07054	1.9
82.04652	0.8
83.04970	1.2
85.02914	2.7
91.05476	7.7
93.03403	0.8
93.07054	2.1
95.04967	2.9
95.08615	1.6
97.02924	1.1
97.06580	0.7
99.04471	1.2
102.04728	2.0
103.05470	12.5
104.06281	4.8
104.13712	0.7
105.03360	1.0
105.07043	7.0
107.04957	8.8
109.06583	2.1
114.04647	1.4
115.05483	5.6
117.07033	13.1
118.04155	4.7
119.04942	3.4
119.08566	3.0
121.06524	4.3
121.10148	3.5
123.04442	7.8
123.08078	28.0
125.05987	1.2
128.06252	6.4
129.07019	3.1
130.04138	2.9
131.04936	34.9
131.08586	3.7
132.05722	37.7
133.02873	1.2
133.06534	9.8
133.10188	1.0
135.04401	4.1
135.08034	0.9
137.05968	3.3
140.04723	0.7
145.06508	11.0
145.10149	0.9
146.03691	0.8
146.06857	1.2
147.04459	3.8
147.08063	2.3
147.11638	1.4
148.05180	4.0
149.06009	5.0
149.09616	1.8
151.07567	2.4
154.06345	1.0
155.06046	2.1
155.07144	1.4
156.09315	1.5
158.03671	1.0
159.04453	1.6
160.05206	18.1
160.06453	1.5
161.05986	14.7
161.13298	1.4
163.03920	1.2
163.07573	7.7
163.11163	4.9
165.05412	2.3
165.06857	1.0
167.07043	10.7
171.11696	3.8
173.05994	31.0
174.06410	1.8
176.04692	5.8
176.08249	0.8
176.29816	0.9
177.05482	20.3
178.05908	1.4
178.07657	1.1
179.07043	3.0
179.08511	1.5
180.07832	1.8
181.05022	4.8
181.06360	0.9
181.08615	0.9
181.12260	3.7
183.06519	2.5
185.05173	0.8
187.27278	0.7
189.12781	6.9
190.08629	2.6
191.07040	77.1
192.07822	100.0
193.08562	15.5
194.09100	0.9
204.13692	1.6
205.06702	0.8
205.08594	4.3
206.07300	1.0
207.06514	2.5
207.08105	2.3
207.13850	4.2
208.07343	1.3
209.06224	1.1
209.08125	3.3
210.08815	0.8
211.11188	1.3
221.09575	1.1
223.07507	1.1
224.08310	2.6
225.14879	7.4
234.06807	1.2
235.07556	2.3
239.10602	2.2
249.09172	2.2
251.07028	2.0
251.09258	1.7
252.07668	1.8
252.09966	2.4
263.07086	2.9
265.08527	1.3
266.09439	1.0
267.10141	4.5
269.08096	2.5
271.13315	2.0
277.08459	1.3
281.09088	1.0
283.09598	1.7
284.10477	1.5
294.08813	0.9
295.09708	9.3
297.11215	0.9
298.11722	1.1
299.09888	1.0
299.12927	2.2
309.08374	1.1
309.11423	1.9
312.09763	1.2
327.12308	62.6
328.12686	5.3
345.10947	1.8
355.09195	1.8
373.10370	2.2
387.14401	49.6
388.14716	2.6
404.16226	11.5
404.21643	8.0
405.12189	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.6
59.34966	0.8
59.94609	1.0
63.71540	0.9
65.03965	1.0
67.05508	2.0
69.03428	2.3
69.11169	0.9
77.03933	1.2
79.05518	4.4
81.03424	0.9
81.07040	1.2
83.04978	1.9
85.02914	3.0
91.05474	10.1
93.07075	3.0
95.04960	3.1
95.08593	1.9
97.06555	1.3
102.04703	1.5
103.05460	10.8
104.06262	3.6
105.03378	1.1
105.07030	7.3
107.04957	7.5
107.08598	1.9
109.06525	1.1
111.08045	1.2
111.31969	1.0
115.05454	4.6
117.03381	1.7
117.07024	15.4
118.04141	4.3
119.04936	3.1
119.08583	2.3
121.06528	3.8
121.10146	3.3
123.04447	7.5
123.08067	38.6
124.08419	0.9
125.06014	2.3
128.06204	5.7
129.07014	2.9
130.04199	4.6
131.04932	30.3
131.08575	3.1
132.05710	34.7
133.06503	9.2
133.10132	1.1
135.04399	5.9
137.05989	3.0
137.09601	1.6
145.06487	12.0
147.04437	4.3
147.08055	1.9
148.05196	4.1
149.05974	6.6
149.09616	1.3
151.07581	2.7
151.11171	1.2
154.06161	0.9
155.05971	1.9
155.07056	2.5
156.09402	1.1
159.04385	1.3
160.05194	17.0
160.06445	1.4
161.05978	14.1
161.13312	1.2
163.07544	6.6
163.11145	4.3
165.05540	1.9
167.07027	11.0
167.08316	1.2
171.11650	2.6
173.04503	1.7
173.05992	33.0
174.06415	1.3
176.04677	6.0
177.05455	19.8
177.06949	1.4
178.07738	1.7
179.07083	3.4
180.07805	1.8
181.04976	2.9
181.06459	1.0
181.08681	1.3
181.12283	4.0
183.06543	3.3
183.08018	1.4
189.12758	7.5
190.08696	1.2
191.07030	77.6
192.07806	100.0
193.08566	17.0
193.10318	0.7
196.08904	1.2
202.07706	1.1
205.08638	3.5
207.06519	3.7
207.08147	2.8
207.09964	1.0
207.13821	4.7
208.07339	1.7
209.06201	1.0
209.08124	3.1
221.09662	0.9
223.07613	1.4
223.64412	0.9
224.08395	2.4
225.14842	12.3
235.07564	2.1
239.10759	2.6
249.09189	2.7
251.09140	2.3
252.07788	2.4
252.09952	2.7
253.09315	1.1
263.07129	3.2
265.08795	1.4
266.09436	1.3
267.10223	4.0
268.04739	0.9
269.08112	2.7
271.13370	2.6
275.02240	1.0
277.08514	1.5
283.09958	2.8
284.10541	2.0
294.09021	1.8
295.09628	10.2
296.10358	1.0
299.09879	1.1
299.12955	1.8
309.08292	1.1
309.11325	2.8
327.12305	70.2
328.12567	5.8
345.10919	3.2
355.09268	2.1
373.10364	3.5
387.14401	51.1
388.14624	3.7
404.16302	12.5
404.20840	5.3
405.17426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03330	0.6
56.96567	14.4
69.55904	2.1
71.95238	0.8
72.78217	0.6
81.07065	0.8
82.74086	0.6
94.04171	0.7
96.98418	0.7
98.22732	1.2
98.97582	100.0
99.29265	0.6
99.97929	0.9
104.99300	1.0
116.98623	52.3
119.41660	0.6
122.03682	3.9
122.04402	0.6
133.21101	0.6
134.99658	18.7
135.07980	0.7
137.05981	49.5
138.06256	1.2
140.00179	4.8
153.00731	1.0
158.01251	1.8
162.12820	0.7
179.00183	2.4
180.00980	0.9
193.31839	0.7
197.01221	2.5
208.10130	0.9
211.02930	0.8
220.00436	3.9
224.09621	2.4
226.11131	20.4
235.02771	61.2
236.03096	2.6
238.01428	3.4
244.12233	7.8
253.03842	82.7
254.04211	2.8
256.97629	0.7
267.13837	1.3
268.12161	3.8
271.04834	4.2
276.05432	11.4
277.05777	0.7
280.12106	1.4
286.47165	0.8
329.12970	1.1
344.15323	6.7
345.15845	1.0
362.16376	1.8
372.43585	0.8
404.17389	90.0
405.17676	6.6
405.22202	1.2
422.17435	0.7
428.24683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.01867	2.3
55.05506	3.8
57.03431	2.2
61.02929	3.2
67.05499	3.5
69.03428	12.4
70.06556	1.5
70.58853	3.1
70.59192	1.6
71.04998	10.2
79.05492	11.3
81.03409	2.8
81.07060	30.5
82.88146	1.6
84.04513	4.5
85.02911	14.2
85.06551	3.6
89.16730	1.6
90.22128	1.7
91.05478	14.4
93.07044	24.1
95.04959	6.2
95.08606	6.3
97.02895	19.2
97.06506	2.7
97.80580	1.6
99.04456	40.8
102.05571	1.7
103.05435	1.4
105.07028	54.3
106.07356	1.5
107.04970	4.3
107.08595	19.0
107.32127	1.3
109.06532	6.0
109.10150	1.6
111.04446	1.6
111.08088	17.1
113.05986	3.7
117.06990	1.8
119.04953	1.8
119.06141	1.6
119.08585	7.8
121.06487	4.4
123.08063	4.2
125.06026	2.3
127.03911	3.4
128.06229	2.0
131.08533	3.0
133.06528	7.8
133.10132	70.4
134.10480	4.9
135.11691	3.9
137.06006	10.4
137.09604	1.6
143.08528	10.7
145.04955	3.9
145.10118	5.3
146.07240	4.3
147.08014	4.5
151.07550	4.5
151.11166	6.9
161.09624	78.2
162.09952	4.0
163.11189	22.9
171.08014	2.6
179.10674	37.5
180.08673	2.9
189.09122	36.4
207.10165	37.3
225.11217	100.0
226.11624	5.8
286.09714	1.6
287.99130	1.6
346.90775	1.3
348.47610	1.7
404.20633	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04987	1.8
55.01876	4.7
55.05516	4.0
57.02930	1.8
57.03441	2.3
61.02943	1.9
65.03937	2.8
67.05505	5.4
69.03430	10.4
69.07065	2.8
71.04987	12.1
73.02937	1.9
77.03917	2.1
79.05501	9.9
81.03428	3.6
81.07059	28.2
83.04973	2.2
83.08621	2.6
84.04520	5.5
85.02912	14.7
85.06526	3.6
91.05489	14.1
93.07043	25.0
93.16898	2.0
95.05001	4.5
95.08607	10.4
97.02892	16.8
99.03883	3.4
99.04461	34.9
100.11214	2.1
105.04569	1.8
105.07025	52.3
107.04960	5.0
107.08599	17.5
109.06519	8.1
109.10153	4.6
109.11828	2.0
111.08088	17.1
113.06051	2.4
117.07014	4.1
119.04974	3.1
119.08547	10.0
121.06519	6.6
123.08061	5.5
125.05972	2.8
127.03913	2.5
128.06233	3.6
130.05020	3.6
131.04961	2.2
131.08524	2.4
132.05693	2.7
133.06503	9.0
133.10130	78.1
134.35278	2.0
135.11717	10.1
137.05966	14.8
143.08522	11.3
144.09258	2.3
145.04976	2.8
145.10124	5.6
146.07300	4.0
151.03844	2.0
151.07533	6.0
151.11180	7.0
159.11728	2.3
161.09613	77.4
163.11172	30.5
165.05367	2.5
171.07895	2.5
175.14890	2.6
179.10669	40.9
179.12248	2.3
181.04999	2.4
189.09096	28.8
189.12823	2.9
191.07048	3.2
192.07787	4.3
193.15823	4.3
204.13840	5.4
207.10185	23.9
207.13832	4.8
211.16899	10.9
220.13380	3.6
225.11221	100.0
226.11633	4.4
228.90300	2.1
254.71255	2.1
327.12173	3.6
404.15778	2.7
404.20724	34.8
404.25766	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.5
55.01873	1.8
55.05507	4.1
57.03465	1.4
65.28175	1.2
67.05508	3.0
69.03435	7.4
70.37651	3.0
71.04990	4.4
73.37564	1.5
79.05501	4.9
81.03440	1.8
81.07068	6.0
84.04496	2.5
85.02923	3.6
87.00847	1.7
91.05476	10.5
93.07053	18.5
95.05000	4.3
95.08598	4.8
99.04454	7.5
100.11265	4.3
105.07032	51.4
105.75937	1.4
106.07360	2.3
106.75717	1.6
107.04989	2.7
107.08596	14.5
109.06546	2.1
109.10111	1.5
111.04482	2.4
117.06983	3.4
119.04940	1.7
119.08588	8.7
120.08128	2.0
121.06545	3.5
121.10132	3.5
123.04503	1.4
123.08099	5.1
123.11700	2.1
130.05037	1.3
131.08603	3.1
133.06505	3.3
133.10135	49.8
134.10477	2.7
135.11710	4.3
137.05995	5.5
137.09653	1.8
143.08586	2.9
145.10107	7.8
148.06067	2.8
151.07536	6.6
151.11215	3.4
156.69670	1.3
161.09615	30.0
163.11182	100.0
164.11583	3.0
167.07051	2.2
177.07869	5.2
179.10675	61.7
182.15459	2.6
189.09106	18.0
204.13823	3.7
207.10178	19.4
210.14964	3.8
225.11197	8.6
257.18903	1.7
268.21378	2.0
360.21863	2.2
404.15701	2.6
404.20587	30.5
405.20673	2.2
420.60336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63494	1.2
55.01874	2.0
67.05556	1.3
69.03432	4.3
69.42686	6.1
71.04990	6.4
79.05495	2.0
81.07092	1.3
85.02902	4.1
91.05464	7.6
93.07030	2.7
97.02888	2.9
99.04456	44.4
105.07027	20.2
107.04980	2.3
107.08599	2.5
109.06521	1.5
111.04470	1.6
117.07067	2.3
119.08566	20.3
121.06525	6.3
128.06232	3.3
129.07095	1.8
133.06517	3.2
133.10144	19.7
143.08583	8.6
145.05016	1.5
145.10083	2.4
146.07224	6.6
147.08063	33.4
148.08426	2.0
161.09621	100.0
162.09998	4.4
163.11198	5.9
171.08012	3.0
174.06728	2.9
179.10666	5.7
189.09113	30.1
190.09415	1.4
196.55777	1.4
207.10162	57.4
208.10471	2.6
225.11263	8.9
305.64874	1.4
404.20709	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35098	1.0
66.36072	1.0
67.05506	1.2
69.11569	3.9
69.11985	2.9
85.02905	1.7
87.91543	1.2
91.05487	3.2
93.07040	1.1
99.04444	1.3
103.05450	5.2
104.06279	1.7
105.07034	4.6
107.04974	2.1
115.05495	1.4
117.07021	2.1
118.04191	2.2
119.08617	2.2
121.06519	3.7
121.10128	1.4
123.04405	1.2
123.08064	18.1
131.04935	14.3
132.05733	15.9
132.66873	1.1
133.06500	7.6
147.08038	2.3
148.05209	2.9
149.05933	3.6
149.09619	3.1
151.07559	5.6
151.11166	2.3
160.05212	10.5
161.05966	30.6
162.06624	1.6
163.07555	6.2
167.07100	2.1
175.07564	7.0
176.08328	79.5
177.05504	11.6
177.09004	8.3
178.09848	1.5
179.07146	1.4
179.10727	2.1
181.12273	1.5
189.12778	1.3
191.07022	25.2
191.08672	1.7
192.07813	55.8
193.08240	2.2
205.08640	1.4
207.10164	100.0
207.13776	3.6
208.10539	5.5
209.11736	2.4
225.14838	4.3
271.13281	1.1
295.09747	1.2
327.12247	23.3
328.12640	1.3
355.45786	1.3
404.16302	2.4
404.21243	7.7
405.20746	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2049
Annotation	Oxystemofoline
Peak:m/z	Relative Intensity
53.85460	1.5
54.97010	1.6
67.05508	2.7
70.62458	3.4
72.16557	1.5
75.06117	1.8
79.05509	2.6
81.07072	3.1
84.04500	2.2
104.99287	2.2
105.07076	2.5
120.08098	2.2
137.06017	2.6
141.58479	1.8
162.12836	3.2
164.37206	1.8
204.13844	4.8
232.16840	2.3
262.98032	2.0
265.40735	1.9
313.63013	1.8
321.75504	1.8
386.19482	16.0
404.20523	100.0
405.21039	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	404.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
69.57171	1.0
90.04692	0.3
91.05478	1.7
96.62020	0.2
106.04139	0.5
107.04955	3.6
108.05758	1.9
109.06487	0.3
117.07030	0.3
120.68847	0.3
121.06508	3.6
125.80904	0.2
135.04407	1.0
136.05215	1.9
137.06004	0.2
145.06493	1.0
146.07263	3.2
147.04405	0.3
147.08029	1.1
149.05981	2.5
151.07541	100.0
152.07883	2.9
162.06754	1.1
163.07506	1.0
165.05479	0.9
165.09120	1.2
172.08842	0.4
175.07492	0.3
177.09108	9.2
178.09323	0.4
179.07043	2.0
188.08325	0.8
189.09096	0.9
191.07025	2.2
193.08574	0.4
201.09137	0.5
203.10699	1.1
205.08669	0.4
215.10681	0.7
217.08614	0.3
217.78699	0.3
231.10124	0.5
245.09654	0.7
247.11143	0.3
249.11299	0.3
262.09741	0.3
263.10709	0.5
273.09076	0.4
275.10391	0.3
278.12994	1.0
288.11487	1.9
289.12271	0.9
300.34171	0.3
304.10846	1.2
305.11749	1.7
309.14874	2.2
319.13312	7.6
319.16953	0.6
320.13965	1.2
335.12656	0.4
337.14349	4.8
338.14706	0.5
351.15845	4.4
352.16003	0.3
369.16977	17.8
370.17340	1.4
374.09509	2.1
386.01422	0.3
387.18036	10.4
388.18381	0.7
394.64288	0.3
404.14127	2.8
404.20331	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60974	0.5
53.03941	1.0
55.01858	0.7
55.05507	1.6
61.02931	1.4
67.05497	2.1
69.03439	3.2
69.07073	1.4
71.04996	3.0
71.46036	0.6
77.03943	0.9
79.05489	4.3
81.03402	0.9
81.07058	5.4
83.08623	0.9
84.90826	0.6
85.02904	8.2
85.06543	1.1
91.05476	6.6
93.07042	100.0
94.07376	2.6
95.04966	2.7
95.08603	4.4
97.02898	2.0
97.06524	3.6
100.07551	0.7
100.11227	2.8
104.99272	1.0
105.04491	0.8
105.07027	9.7
107.08593	7.9
109.02882	1.1
109.06535	2.2
109.10169	5.4
111.08089	4.6
113.06033	0.9
119.08575	11.5
121.06511	0.7
121.10143	37.8
122.10499	0.7
123.08068	2.9
125.09643	1.3
127.03902	1.1
131.08572	3.2
133.10123	52.2
134.10458	2.5
135.11661	1.2
137.09605	2.1
145.04901	0.7
145.10109	0.9
147.08028	2.0
147.11674	2.6
149.09592	4.6
151.11176	98.9
152.11494	3.4
161.13254	29.4
162.13617	1.4
163.14827	6.2
164.07153	0.6
165.12703	1.4
171.11688	2.3
179.14296	28.4
180.08690	1.5
180.14644	1.1
189.12741	10.1
190.13065	1.1
207.13791	12.6
210.14873	1.1
225.14848	57.0
226.15240	3.2
278.75244	0.6
284.11060	0.7
344.13171	0.8
372.12582	1.7
404.15665	0.7
404.20541	3.8
404.67438	1.2
405.17963	1.6
421.80988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05502	2.2
57.07087	1.8
61.02928	1.7
61.51611	1.2
67.05502	3.3
69.03436	5.5
69.07110	1.8
69.54031	3.3
69.54451	3.6
79.05484	2.1
81.07059	17.5
85.02905	96.6
87.04462	2.7
91.05473	14.0
93.07053	2.0
95.08611	5.3
97.02883	4.5
105.07018	7.1
107.08609	5.3
109.02901	1.8
109.06519	1.6
109.10152	10.0
114.34879	1.5
117.07026	2.2
119.04942	24.3
119.08573	8.3
120.05243	1.7
121.10164	7.0
123.11707	96.9
124.12018	1.9
125.06007	6.2
133.06430	2.0
145.04933	2.5
145.10141	4.7
146.03419	1.4
147.04405	20.0
147.11685	14.6
149.02347	1.6
149.09579	8.1
151.07567	2.7
156.09419	1.4
157.03969	3.4
164.04701	1.9
175.03903	38.8
179.07036	2.7
179.14429	1.7
189.12741	20.4
192.04144	13.1
198.01367	1.5
207.06520	100.0
207.13812	70.3
208.06844	3.2
208.14156	2.1
225.07599	35.8
225.14832	16.7
226.07996	2.3
255.28452	1.5
404.20908	2.7
404.26154	1.6
405.16940	3.9
406.20486	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	1.5
55.05513	10.0
57.03438	10.6
57.07082	3.3
59.05010	2.3
67.05160	2.8
67.05508	55.8
67.99427	1.2
69.07070	8.4
69.45625	6.1
71.04987	4.4
71.08642	3.2
78.72025	1.4
79.05495	12.6
81.07053	21.4
83.05003	2.0
83.08617	7.3
85.06546	3.5
85.79012	1.4
88.44399	1.5
88.65023	1.3
91.05485	7.8
93.07044	15.3
95.04974	3.9
95.08611	10.9
97.06529	3.9
97.10153	2.8
98.23600	1.4
98.97587	10.4
99.08086	4.2
103.03933	3.1
105.07051	5.3
107.08592	7.5
109.06490	2.0
109.10159	46.4
110.10513	2.2
111.08092	2.5
116.07000	1.4
116.98618	4.2
119.08597	8.7
121.10165	3.4
125.09607	3.4
130.98506	1.3
131.08556	1.8
133.10117	4.1
135.11697	3.4
137.05977	3.0
137.09592	3.3
139.11093	1.5
145.10162	2.8
145.45004	1.6
149.13269	3.0
151.07591	1.6
151.11176	3.1
155.10710	7.6
159.11723	2.1
161.13245	4.7
162.12819	1.8
163.41005	1.4
173.11758	18.8
173.13237	2.1
177.12755	3.3
179.14322	2.3
185.28421	1.4
189.11208	2.7
226.11113	2.4
227.12837	3.5
229.14365	71.9
230.14751	3.3
235.02817	6.3
241.19595	2.3
245.13991	1.9
253.03783	6.8
259.20538	4.8
269.17471	8.9
277.21649	12.2
278.05826	1.4
329.07916	1.4
351.25311	17.5
404.21582	7.8
405.22464	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	16.5
57.03444	14.7
63.93209	7.9
67.05511	41.6
67.54985	9.2
69.07066	14.9
71.08634	25.8
71.45542	9.2
79.05501	23.6
81.07050	54.5
83.04971	9.5
83.08617	15.1
91.05479	21.6
93.07038	38.7
95.08598	22.4
96.85592	8.3
97.10161	16.3
99.08096	24.8
104.99284	32.5
105.07021	22.2
107.08592	28.7
109.10174	22.3
110.36167	8.0
121.10102	10.1
125.09566	10.3
128.88606	9.1
133.10124	16.7
135.11697	15.9
149.13222	12.7
151.11182	9.6
159.11703	14.4
161.13295	10.9
173.11775	12.2
189.11148	10.2
227.12773	15.7
256.36356	8.2
269.17566	55.8
277.21747	17.9
322.98935	11.0
351.25262	31.4
404.14536	17.5
404.20679	75.1
405.22427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1733
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
67.05505	0.3
69.47612	0.8
69.48006	0.7
75.33324	0.3
81.07033	0.4
83.04943	0.3
85.02917	1.1
93.07062	0.6
95.04971	0.5
98.43781	0.4
99.08074	0.3
105.07039	0.4
109.06535	0.6
119.08617	0.5
121.10114	0.7
131.08522	0.4
131.31717	0.3
133.10104	1.1
139.11214	0.3
143.55679	0.3
147.11693	1.2
148.71545	0.3
149.09637	1.1
150.09979	1.0
162.13313	0.3
167.07072	0.5
167.10686	1.1
168.11053	0.8
173.13281	0.4
177.05421	0.8
190.13052	0.7
191.14337	0.9
207.06516	0.4
209.08105	0.7
209.15439	0.9
273.13113	1.4
392.81085	0.3
404.37851	0.3
405.17300	100.0
406.17688	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	405.1734
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
69.79700	0.7
69.80074	0.6
70.54240	0.3
72.71664	0.3
105.07044	0.3
119.08500	0.5
147.11685	1.2
149.09621	1.4
150.09953	1.0
157.88091	0.3
158.33318	0.3
163.72272	0.3
165.62729	0.3
167.10706	0.7
168.11046	0.5
173.13382	0.3
177.05367	0.4
189.12628	0.3
190.13026	0.4
191.14395	0.4
273.13025	1.2
342.14215	0.3
405.17282	100.0
406.17630	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	405.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37743	3.9
67.05502	6.1
69.03423	5.0
81.07050	5.1
91.05524	6.4
93.07034	10.5
95.08613	9.1
110.00941	4.6
112.07619	9.5
116.98565	5.3
130.08679	5.9
237.85838	4.7
248.12566	4.8
370.41318	5.0
372.63419	4.9
387.25134	20.6
405.20874	100.0
405.26239	12.1
405.37369	25.9
406.21674	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	405.2039
Annotation	7-Geranylformononetin
Peak:m/z	Relative Intensity
53.54527	4.8
59.97812	5.7
62.21438	6.1
62.81166	5.4
70.06560	5.5
81.07023	6.3
86.92193	5.1
95.08626	7.1
98.97578	13.3
112.07623	14.3
116.98584	6.9
144.85583	6.1
178.27878	5.0
193.94202	5.8
387.25272	16.2
405.20605	100.0
405.26199	8.1
406.20886	9.5
414.33008	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	405.204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16751	10.0
69.24879	49.4
71.51768	9.6
74.90832	9.3
81.07072	16.3
84.23490	9.5
90.26423	9.8
95.08647	13.7
104.99269	34.8
107.08677	10.8
113.48827	8.8
119.08562	14.8
131.72313	11.1
141.24977	9.3
145.10126	17.6
181.68988	9.4
215.04330	10.7
239.75705	11.7
262.98215	27.3
387.21310	20.0
405.21973	100.0
405.29947	13.5
422.94870	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	405.2248
Annotation	Met Arg Val
Peak:m/z	Relative Intensity
56.96552	0.7
57.03426	0.5
64.83788	0.3
67.05523	0.6
69.22530	2.1
81.07056	0.8
91.84596	0.4
93.07036	0.7
98.97581	3.9
104.99242	0.6
110.10522	0.4
116.98614	2.4
117.98977	0.4
134.99687	0.4
137.05998	1.9
138.06305	0.6
140.00191	0.4
145.12483	0.4
156.70416	0.3
227.11345	0.5
230.14708	0.5
235.02849	1.2
236.03110	1.3
253.03783	1.6
254.04195	1.8
269.17422	0.5
345.15860	0.4
387.20712	0.5
405.18405	4.1
405.22479	100.0
406.22794	9.4
412.75296	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2253
Annotation	Unknow
Peak:m/z	Relative Intensity
64.87104	0.4
69.64621	1.4
98.23449	0.4
104.99284	1.2
173.60513	0.3
212.49342	0.3
331.18759	0.5
350.66885	0.4
405.22485	100.0
406.22818	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	405.2249
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
55.05513	0.8
69.07074	1.0
69.38052	1.4
69.38460	2.6
81.07024	0.9
91.05502	0.7
95.08631	1.1
104.99264	3.5
105.07034	1.2
106.07388	0.8
108.08868	0.6
109.10137	1.4
119.08598	0.8
121.10137	0.8
121.42540	0.6
132.08853	1.0
244.21399	1.4
262.98181	1.0
264.31772	0.8
272.20972	1.5
322.98849	1.1
334.47815	0.7
387.25278	0.8
405.22443	100.0
406.22574	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	405.2251
Annotation	Met Val Arg
Peak:m/z	Relative Intensity
57.03442	1.8
67.05500	0.8
69.07043	0.4
69.64851	1.2
69.65223	0.7
79.05513	0.7
81.07049	0.5
89.52953	0.3
89.88569	0.3
91.05485	0.6
93.07044	3.1
95.08635	0.7
97.06525	2.8
98.22629	0.4
104.94842	0.4
104.99281	2.0
107.31366	0.3
109.10171	0.3
111.08092	0.8
119.08563	0.4
135.04422	0.4
139.07550	1.5
151.07538	4.4
157.08705	0.4
159.11855	0.3
171.10159	4.1
196.37656	0.4
201.45549	0.4
244.43703	0.4
245.17459	0.5
262.98233	0.5
272.20816	0.6
295.15192	0.5
301.77872	0.4
307.78909	0.4
322.99216	0.6
339.17896	0.4
369.16034	0.4
387.21201	0.5
405.22467	100.0
406.22766	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	405.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.2
55.05508	7.4
57.03162	0.3
57.03434	6.1
57.07078	3.1
58.45575	0.3
58.96306	0.3
67.05508	3.0
69.06702	0.7
69.07065	7.9
69.88020	0.8
71.08630	1.8
79.05491	1.9
81.07050	3.5
83.04995	0.4
83.08618	7.9
85.10201	0.5
91.05482	0.7
93.07042	2.0
95.08602	2.4
97.06541	0.8
97.10164	4.8
98.93324	0.4
107.08600	1.4
109.10175	0.7
111.11706	1.1
113.00014	100.0
121.10146	2.5
123.11745	0.5
124.35731	0.4
131.01050	0.7
135.11696	2.0
137.13243	0.6
139.01540	0.7
147.14485	0.3
148.38449	0.3
149.13240	0.8
151.01486	0.5
154.02667	0.5
169.02609	81.9
170.02946	1.0
219.21161	0.7
237.22107	5.0
242.34637	0.3
271.59781	0.3
405.20749	0.4
406.33124	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	2.5
70.07038	2.5
70.07377	2.2
93.07008	2.3
95.08620	3.1
96.05273	1.2
98.97584	7.8
104.99295	2.2
109.10175	1.3
112.07587	2.8
116.98636	8.6
119.08563	1.5
120.05453	1.3
120.71573	1.3
130.08646	3.2
133.10034	1.6
134.99661	4.1
177.02592	1.4
223.13130	1.4
235.08205	1.2
247.16725	1.3
341.24426	4.3
345.21106	1.7
359.25592	4.2
369.20349	1.4
369.24094	20.0
370.24237	2.0
383.17172	1.9
387.25125	81.4
388.25287	6.4
399.05923	1.3
405.26422	100.0
406.26917	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	406.171
Annotation	Unknow
Peak:m/z	Relative Intensity
68.12321	0.7
69.03439	1.3
70.30484	1.7
79.05508	0.9
85.02914	5.7
91.05477	1.3
93.07072	1.2
97.02913	1.9
104.99310	1.2
105.61678	0.9
107.04965	3.0
119.04968	1.4
119.08568	1.0
121.06525	1.3
123.04435	0.9
131.08525	1.7
137.05992	2.8
137.62889	0.7
145.04970	1.2
149.06015	3.0
151.07559	1.0
167.07037	100.0
168.07411	2.4
177.05452	6.5
180.08778	1.1
181.08542	4.4
187.72360	0.7
209.08081	19.2
209.11618	1.8
227.09132	36.5
228.09508	2.1
259.11115	2.8
276.70779	0.8
388.21112	1.1
406.17535	2.2
406.22070	6.0
407.22571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.3
56.85633	2.6
56.96564	25.2
67.05484	2.6
70.06602	3.7
73.06564	2.3
91.05463	2.9
97.70946	2.4
101.91032	2.5
104.99314	2.7
105.07089	2.8
107.88118	2.4
110.97605	3.3
113.05978	2.8
115.07552	2.5
129.02229	4.0
141.02220	2.4
147.03314	2.8
151.07509	2.6
155.03841	3.6
171.03294	4.6
173.04868	5.6
185.04857	4.6
195.82507	2.5
199.06432	5.7
203.05852	2.6
217.07413	3.7
233.72514	2.7
237.08076	10.5
239.09650	5.3
243.09155	3.5
251.24455	2.6
255.09023	100.0
256.09372	4.2
261.10034	4.4
265.07330	3.0
273.10052	45.5
278.10654	8.0
283.08646	7.8
295.08435	4.9
329.14127	9.2
347.15268	19.9
365.16354	65.6
366.16803	4.9
374.95712	2.7
383.17328	32.9
406.18558	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	406.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	44.5
58.99359	2.2
65.22027	1.9
82.73455	1.9
95.08609	2.1
98.23506	5.8
115.00694	4.3
121.10110	2.2
128.98631	2.8
139.00749	2.5
141.02295	2.4
145.01764	2.6
153.02260	2.7
155.03813	3.4
170.27199	2.6
171.03342	5.2
173.04965	3.8
181.05350	2.7
181.12294	2.8
183.03316	2.6
185.04921	3.0
189.04399	8.5
197.04868	2.6
199.06403	17.3
203.05840	3.3
205.05406	4.4
208.50351	2.4
209.13309	2.4
209.15288	2.6
211.06470	4.6
213.07994	8.5
217.07431	15.5
223.06483	7.1
227.05930	3.4
229.07529	7.7
231.09090	8.7
235.06424	3.8
237.07986	3.2
241.07475	34.9
243.09018	3.1
253.07492	11.0
255.09009	13.1
259.08542	54.0
267.09174	3.7
269.10562	3.9
271.08508	5.4
273.10156	7.2
277.09726	8.7
282.10187	3.7
329.14261	15.8
347.15286	84.0
348.15564	8.4
365.16394	100.0
366.16751	4.5
370.16946	2.5
383.17429	77.0
384.17780	4.5
388.17944	8.6
401.18573	2.8
406.19012	13.1
406.23544	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	406.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.01858	1.5
56.71238	0.8
57.03444	1.4
57.07070	1.5
61.02914	1.2
63.93193	0.9
67.05509	8.3
69.03434	1.9
69.07057	2.0
69.94458	2.7
71.04987	8.1
73.91685	0.8
77.03905	1.0
79.05495	7.2
80.90376	0.8
81.03404	1.9
81.07033	1.5
83.04970	3.2
85.02903	10.0
85.06545	50.1
86.06874	1.2
91.05472	6.3
91.23631	0.9
93.07051	5.4
95.04950	3.4
97.02874	2.3
97.06527	2.3
99.08076	2.6
104.84837	0.9
105.07042	6.7
107.04974	4.2
107.08588	10.5
109.02866	1.3
109.06509	2.0
111.04449	5.2
111.30269	1.0
117.07002	2.1
119.08568	7.2
121.06519	4.7
121.10143	8.0
123.04407	1.0
125.05994	2.2
127.03919	2.0
129.07033	2.0
131.08568	29.0
132.08890	1.0
135.11684	2.0
137.09601	3.8
137.10583	1.0
143.07047	1.1
145.04970	1.9
145.10135	12.2
147.08029	3.9
149.05930	0.9
149.09619	29.1
150.09932	1.1
153.05438	2.1
155.07065	1.1
163.11180	11.1
165.09172	5.3
167.07094	0.9
167.10666	17.6
173.09604	3.4
179.10658	1.0
180.77838	0.8
191.10669	33.6
192.11006	2.1
197.11800	1.2
209.11731	42.8
210.12035	2.6
227.12776	100.0
228.13103	4.5
237.40604	1.0
244.59436	0.9
407.18555	1.0
425.51489	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01870	7.5
55.05514	2.2
57.03437	5.8
60.83066	1.0
61.02925	7.2
66.15306	1.1
67.05502	4.0
68.99790	3.2
69.03432	34.3
69.07074	1.4
69.60030	2.5
71.05009	6.0
73.02916	6.6
79.05484	1.9
81.03416	22.1
81.07060	8.9
83.04953	1.4
84.04499	1.5
85.02907	100.0
86.03233	1.8
87.00831	39.7
91.03922	1.3
91.05495	1.8
93.07038	4.2
95.04989	1.7
95.08613	3.4
97.02896	28.9
97.06560	1.1
99.04465	12.6
103.03911	1.4
105.01870	60.8
105.07047	3.0
107.08611	3.0
108.04487	3.1
109.02879	31.4
109.10154	1.3
115.03949	1.3
117.01854	2.7
119.08614	2.1
121.10139	2.4
123.11707	1.5
126.05531	2.3
127.03918	69.0
128.04248	1.4
129.01849	4.0
137.09628	1.3
145.04956	38.8
145.10147	1.1
146.05272	1.5
147.02896	2.8
149.09692	1.4
151.11157	1.6
159.02884	19.3
165.12788	1.4
171.02916	1.0
171.07974	0.9
174.66911	1.0
189.03987	3.8
205.12161	1.2
213.03983	3.6
213.12701	1.3
231.04979	23.3
231.13823	2.8
246.17157	2.0
248.07603	2.0
249.06081	6.3
249.14821	4.0
306.55795	1.0
335.14972	4.1
353.16064	2.0
394.99118	1.3
406.21802	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63733	3.5
53.39319	2.8
55.05509	4.0
60.85025	3.2
67.05499	14.4
69.03433	5.5
69.07040	3.9
71.04979	6.9
71.46332	4.4
79.05478	9.7
79.65756	2.7
81.07038	5.0
83.04971	3.7
85.02917	13.6
85.06553	4.2
86.00619	5.1
91.05484	9.2
92.01939	3.5
93.07054	25.3
95.04961	10.4
99.04450	12.4
105.07032	45.7
107.08591	58.2
109.02879	3.5
109.06573	3.9
109.10139	4.3
111.85057	3.6
117.07000	4.0
119.08585	14.6
121.06498	13.2
121.10149	30.3
132.01134	4.5
135.08017	9.4
135.11688	16.6
144.08417	3.3
145.10133	30.9
147.11632	3.7
153.01846	7.6
154.08661	4.0
163.11182	100.0
164.11501	4.9
165.12718	7.3
173.09619	6.0
181.12265	43.4
182.70523	3.7
190.09155	3.4
191.10663	73.2
209.11713	46.5
215.10666	3.8
227.12756	61.4
235.60626	3.3
245.11708	4.4
301.02124	3.6
302.06656	4.5
394.48352	3.4
421.33691	4.1
427.57843	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	406.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.6
55.05506	2.0
57.03420	1.6
61.02947	2.7
67.05502	4.3
69.03444	8.9
69.07070	6.9
69.69076	5.0
70.05344	1.3
71.04991	1.8
72.08143	1.5
75.32143	1.2
79.05499	7.3
81.07076	6.5
83.04973	2.2
85.02896	8.9
91.05453	6.7
93.07052	11.4
95.04984	6.2
95.08607	2.4
97.02904	3.8
98.22682	3.0
105.07043	8.6
107.04948	3.7
107.08585	7.2
109.06512	7.2
109.10175	1.9
109.97552	1.2
116.15828	1.4
117.07018	7.9
119.08607	6.0
121.06524	7.5
121.10139	4.9
123.04440	7.5
127.03928	1.4
131.08588	5.5
133.06517	2.5
133.10074	2.5
135.04424	2.3
135.08072	1.5
135.11722	3.9
137.06042	1.8
141.05476	11.0
145.05025	2.0
145.06496	2.9
145.10144	18.3
147.11725	4.6
149.06006	5.6
149.09598	8.0
153.05495	3.9
163.11189	17.1
163.14867	2.8
165.12787	3.7
168.69473	1.6
173.09650	5.6
173.13353	2.4
181.12241	1.7
191.10669	69.1
192.10886	3.0
209.11726	100.0
210.12085	5.1
222.01193	1.5
227.12944	1.8
406.20404	1.8
407.16626	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
54.43905	1.7
55.05516	4.8
56.96569	3.1
57.03439	35.2
67.05504	11.2
69.07062	6.8
69.50690	8.6
71.04990	2.8
74.64304	2.1
78.74209	1.7
79.05482	2.6
81.07046	2.7
81.96394	2.0
83.04977	2.1
83.08616	6.0
86.83916	2.1
91.05481	8.0
93.07048	66.0
94.07379	2.3
95.04974	4.7
95.08606	6.6
97.06536	49.1
99.09134	2.0
101.56168	2.2
104.25978	2.1
104.99260	4.0
107.08625	1.9
109.10132	5.2
111.08083	25.5
115.07558	3.6
117.06976	1.8
119.08605	2.3
121.06528	5.2
121.10165	2.0
139.07544	28.5
153.09120	2.9
154.78706	1.9
157.08632	5.2
171.10162	100.0
172.10583	2.7
173.11731	5.3
189.11247	4.7
262.98016	2.8
267.09256	2.0
269.21548	2.1
344.22006	3.2
347.15079	2.4
376.05655	2.1
406.22638	6.4
407.24414	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.0
56.17562	3.0
61.72480	3.0
67.05524	15.5
69.03433	11.7
69.07075	13.4
69.50655	11.2
71.05003	13.7
79.05492	17.9
81.07066	18.4
83.04996	5.1
83.08614	5.9
85.02914	21.0
85.06545	69.2
91.05480	18.4
93.07051	35.6
95.04975	26.6
95.08624	27.0
97.02940	3.6
97.06538	12.9
99.04450	9.5
99.08093	4.6
105.07041	24.6
107.04933	4.8
107.08593	80.8
109.06522	17.2
109.10172	10.1
111.04452	9.6
111.08118	4.7
117.07027	6.9
119.08616	19.2
121.06505	27.8
121.10139	33.7
123.08128	4.3
123.11653	3.4
129.06992	3.6
131.08571	69.1
133.10117	27.5
135.08080	13.6
135.11670	11.5
137.09535	4.2
143.08549	5.0
144.09364	4.0
145.04987	4.8
145.10104	24.0
147.11694	22.8
149.09634	33.4
149.13258	7.1
153.09111	11.9
156.52919	3.0
158.10977	10.0
163.11185	9.1
163.14822	71.6
165.09178	2.9
167.07101	3.2
167.10704	17.6
173.13266	63.6
175.14964	4.5
191.10699	36.8
191.14291	56.3
191.15941	4.5
209.11732	45.2
209.15302	25.3
227.12772	100.0
227.16422	7.3
228.13103	3.9
340.18967	3.3
363.87793	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	406.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.5
55.11076	1.9
57.03429	3.0
57.07061	2.1
59.04976	2.0
67.05495	4.1
67.07870	1.8
69.03439	8.7
69.07065	4.6
69.79415	6.8
71.05014	8.5
79.05489	6.0
81.03384	2.1
81.06620	2.3
81.07065	17.8
83.08604	4.7
85.02908	15.8
85.06560	5.6
86.07718	1.7
91.05489	4.6
93.07039	9.3
95.04976	19.3
95.08612	8.9
97.01077	1.7
97.02901	4.9
97.06544	16.4
98.97619	2.2
99.04457	5.3
99.08098	5.5
105.07024	13.6
107.08611	15.1
109.06520	40.8
109.10154	13.6
111.08057	3.0
113.09640	1.9
115.07571	6.8
117.07014	1.7
119.08581	11.6
121.06471	2.9
121.10154	31.4
123.08058	2.3
123.11711	8.0
125.09631	4.2
127.03901	2.9
127.07581	2.8
131.08588	11.4
133.10136	56.4
134.10471	1.6
135.08061	7.0
135.11661	4.3
137.09659	4.0
139.11148	4.0
141.12759	2.6
145.04939	1.9
145.10149	4.8
147.11693	24.3
149.09607	3.2
149.13235	7.4
151.11154	4.2
153.09113	12.4
158.10942	2.2
163.14799	9.2
165.12788	4.7
167.14247	2.8
173.13287	32.6
181.08611	3.9
191.14328	48.0
192.14659	4.2
200.44006	1.7
209.15387	83.5
209.30786	1.7
210.15686	4.2
227.12810	4.2
227.16434	100.0
228.16841	3.8
239.54015	1.7
346.10590	1.9
389.13483	2.3
395.47519	1.9
406.22379	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	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
55.01856	0.7
55.05510	11.7
57.03436	1.4
59.05011	1.0
61.02909	0.8
61.46121	0.6
65.92111	0.5
67.05493	1.8
69.03431	2.0
69.07041	0.6
69.76058	0.6
71.04998	3.8
77.06049	0.6
79.05502	1.5
79.32281	0.5
81.03423	1.2
81.07053	2.8
83.04982	8.7
83.08618	7.6
85.02908	6.0
85.06529	1.5
90.26653	0.6
91.05460	1.7
93.07044	2.1
95.04967	62.5
95.08612	1.4
96.05302	0.9
97.02895	1.9
97.06525	1.2
97.10152	1.4
99.03808	0.8
99.04456	14.8
99.08051	0.9
105.07011	2.2
107.08585	3.9
109.06519	1.4
109.10171	5.2
111.08047	3.4
113.09598	0.6
115.29573	0.6
119.08588	1.2
119.53932	0.6
121.10136	2.2
121.35543	0.6
123.11707	3.0
125.09622	2.5
127.03917	1.1
131.08540	1.0
133.10115	5.9
135.08087	0.6
137.09607	0.6
139.11249	0.6
145.04932	0.7
145.10094	0.9
147.11665	1.3
149.09689	0.7
149.13246	2.0
151.11185	12.8
152.11523	0.8
153.09094	20.5
154.09438	0.8
167.12900	0.9
167.14314	17.4
173.13246	3.9
187.91415	0.6
191.14334	4.2
193.15884	0.8
194.99557	0.6
209.15363	100.0
210.15689	4.4
214.24205	0.6
227.16475	4.8
242.77913	0.7
244.55972	0.7
289.05215	2.4
307.09036	0.8
371.20517	1.3
389.14621	0.6
406.21973	1.0
407.13031	1.2
419.18365	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13103	2.2
55.05503	3.5
67.05501	7.4
68.68118	2.4
69.03434	5.3
69.07065	10.0
69.22280	2.2
71.04987	8.2
75.21249	1.9
79.05479	10.0
81.03423	3.1
81.07054	19.7
83.08620	7.2
85.02892	5.6
85.06538	9.0
86.09725	2.6
91.05490	11.3
93.07043	26.6
95.04984	6.5
95.08600	24.0
97.02858	2.4
97.06516	2.9
97.10190	2.3
105.07037	20.0
107.08594	63.8
109.06512	12.4
109.10128	7.0
111.08129	2.9
119.08588	16.6
121.06503	18.9
121.10146	48.4
122.10457	3.0
123.08070	4.4
131.08551	23.2
133.10129	9.9
135.08090	11.6
135.11687	11.2
136.17206	2.0
143.08601	3.8
144.09320	2.5
145.10136	10.7
147.11691	14.1
149.06078	2.3
149.09593	2.5
149.13234	2.3
151.11183	5.0
153.12999	2.4
158.10925	8.4
163.14822	100.0
164.15150	5.1
173.13264	63.3
174.13538	2.9
175.54778	2.5
181.08578	2.3
191.14297	66.4
192.14667	3.4
209.08139	4.8
209.15286	3.4
229.92235	2.2
389.13409	3.0
406.22174	4.6
407.16815	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	407.0953
Annotation	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone
Peak:m/z	Relative Intensity
68.79759	0.7
71.08961	1.1
98.97557	1.4
116.98573	0.8
131.21712	0.7
132.55431	0.8
153.32796	0.7
154.25714	0.7
199.47041	0.9
233.07878	1.1
255.70151	0.8
279.07474	0.9
294.07526	1.0
323.34128	0.8
340.08035	1.2
347.10779	1.0
375.11914	2.0
407.09445	100.0
408.09845	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	407.1319
Annotation	2beta-Hydroxysaudinolide
Peak:m/z	Relative Intensity
66.32146	1.7
67.06602	1.6
69.72009	2.3
69.72353	6.2
86.44721	1.7
96.48651	1.9
98.97585	6.4
105.61087	1.8
105.84910	1.9
111.43143	1.6
138.27138	1.6
151.41759	1.6
152.98755	2.0
219.01875	2.4
232.17751	1.7
291.22769	1.7
293.09128	7.0
295.73679	2.1
407.13187	100.0
407.18649	5.7
408.13724	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	407.1454
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.9
65.03957	0.9
65.89568	0.9
67.56522	0.8
69.03429	1.0
80.91602	0.9
81.07052	1.4
83.04981	2.1
85.02903	1.1
91.05426	0.8
92.05052	1.0
93.07058	1.6
94.06565	1.6
95.08590	1.0
97.06524	2.8
98.06850	0.9
105.07001	1.7
107.08594	1.7
108.04475	1.7
109.10151	0.8
120.04496	4.0
121.06519	3.3
122.06048	1.3
125.09617	1.7
131.85535	0.8
133.08900	1.8
133.10124	0.9
138.05505	5.2
141.83115	0.8
148.11217	24.8
152.07050	1.9
154.05098	1.1
162.05499	1.9
167.07088	1.8
168.06664	1.0
175.89621	0.8
178.05008	7.9
188.03435	8.5
191.08208	4.6
192.14555	0.9
196.06039	6.9
198.09198	1.3
199.08688	2.4
206.04538	2.3
209.15535	0.8
211.08643	1.5
212.09267	1.1
213.10185	2.2
215.04739	1.0
215.08047	1.3
223.08698	2.9
223.19109	0.8
224.07170	1.2
224.09126	1.1
225.10315	1.6
227.08139	13.1
227.11615	1.0
228.08546	1.4
237.10280	9.4
238.08876	1.0
238.10880	1.0
239.08165	1.2
239.11842	3.7
240.10304	0.9
241.09691	9.6
243.07845	1.6
243.11066	0.9
245.09175	4.0
249.10172	0.9
250.08665	1.2
251.08138	9.7
252.06644	1.2
252.09084	1.7
253.09744	1.5
254.08119	1.4
255.07655	7.7
255.11386	2.1
257.12967	1.2
265.09753	12.2
266.08029	2.0
266.10464	2.4
267.11331	3.2
268.09610	3.1
269.09216	33.8
270.09595	1.3
271.10840	1.9
273.08740	10.9
274.09036	1.0
279.07672	17.9
280.08286	1.6
283.10779	8.6
284.09088	3.1
285.12347	3.0
286.10706	1.0
287.10214	3.4
293.09265	16.3
294.09573	1.6
295.10791	1.9
296.09180	1.3
297.08710	52.2
298.09268	4.1
301.11798	2.2
302.10226	1.5
307.12830	1.8
311.10229	7.8
312.08542	1.7
313.11954	4.6
314.10236	2.8
315.09735	24.2
316.10300	1.4
321.08719	12.6
325.11392	6.7
329.11243	5.0
330.09476	1.2
331.13046	1.0
332.11160	1.3
333.10812	20.3
334.11206	1.1
339.09799	28.3
340.10031	2.1
343.12915	8.1
345.14404	1.5
347.12842	1.3
357.10837	14.4
358.09210	2.1
371.12332	17.2
372.12393	1.0
375.11890	7.6
389.13437	100.0
390.13782	9.0
407.16452	8.3
407.22668	3.1
408.15451	0.8
408.21454	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.9
67.05499	4.0
79.05499	5.4
81.07059	15.2
91.05482	6.0
93.07056	18.0
95.04988	2.3
95.08627	8.8
105.07023	4.4
107.08606	4.4
109.10174	3.0
109.82603	1.5
111.08139	2.2
119.08571	5.8
121.10149	5.9
123.11722	2.4
133.10126	4.4
147.11740	2.5
159.11658	1.6
161.13353	1.9
173.00568	21.3
239.14108	3.5
257.15234	7.2
275.16144	2.3
293.15802	3.1
324.15472	1.6
371.14398	1.9
389.15726	100.0
390.15881	6.0
407.16403	38.9
407.20618	6.6
408.17108	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	407.2196
Annotation	Zoamide D
Peak:m/z	Relative Intensity
55.73796	6.5
66.01811	6.0
69.89861	10.6
73.98036	6.6
87.06864	6.1
89.96352	6.0
212.92082	6.0
333.17178	6.7
337.28558	6.0
405.94678	6.5
407.21811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89213	7.5
56.96549	8.7
59.32310	6.0
66.94093	6.5
69.63643	23.7
72.67908	6.2
98.22661	12.4
101.12732	6.4
114.14729	6.6
241.82397	6.6
251.66272	8.8
282.87549	6.6
312.79022	5.9
340.40958	6.5
351.18600	7.1
389.22913	12.4
404.08557	6.4
407.21707	100.0
408.23193	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	407.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81855	0.8
70.22196	1.0
70.22507	1.4
73.11548	0.9
99.29417	0.8
106.47940	0.8
124.43641	0.9
137.49463	0.8
202.64810	0.8
233.15668	0.8
260.10971	0.9
269.13519	1.1
272.33017	0.8
295.91202	0.8
330.74460	0.8
407.24060	100.0
408.24448	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59324	11.4
74.63549	2.9
81.07059	3.9
84.63603	3.2
95.08646	4.6
98.23428	5.9
105.07071	5.2
110.52759	3.1
124.50782	2.7
139.62683	3.0
147.11688	3.7
182.61473	3.2
333.17181	4.2
366.21478	3.6
406.35327	3.7
407.24142	100.0
407.35571	7.3
408.24142	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	407.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	10.3
55.19553	1.3
57.07080	3.9
61.01151	2.5
62.99081	2.5
67.05513	8.7
69.07069	18.5
69.36025	3.2
69.36411	2.9
71.08633	2.1
79.05500	8.7
81.07062	20.3
83.08617	9.8
86.80692	1.8
91.05486	9.4
93.07046	10.6
95.04982	1.7
95.08607	24.5
97.10187	3.7
98.23526	1.2
101.00319	1.3
103.05502	1.3
105.00097	13.8
105.07033	100.0
105.52607	1.5
107.04946	2.7
107.08590	12.0
109.06518	1.6
109.10152	17.5
111.11708	7.4
112.19234	1.3
117.07020	3.7
119.08590	32.4
121.10104	6.8
123.01116	10.9
123.11763	2.3
130.07732	1.2
131.08568	22.4
133.06493	3.2
133.10126	21.7
135.11739	4.7
145.10126	33.9
147.11702	32.3
148.12050	1.4
149.13293	4.8
157.10103	2.7
159.11699	13.2
161.13268	14.9
163.14804	3.8
173.13280	17.9
175.14877	7.5
187.14816	13.9
189.16350	1.8
201.16362	13.3
220.00987	1.3
257.22653	30.3
258.23111	1.8
285.22141	43.8
286.22446	3.2
407.23874	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	407.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
70.85672	0.8
81.07052	0.7
84.04499	1.4
91.05476	1.0
93.07036	1.1
95.04958	1.2
95.08620	0.7
102.57184	0.6
105.07045	1.5
107.08586	1.1
117.07031	0.7
119.08578	1.4
121.10152	0.7
143.08527	0.5
145.10097	1.1
147.08069	1.0
148.06163	0.7
157.10136	1.2
161.02724	0.5
187.11128	0.7
199.11176	0.8
211.95392	0.6
293.26617	0.7
307.86670	0.6
407.24042	100.0
408.24298	7.3
425.99036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
69.55756	0.4
69.56137	0.4
111.48925	0.3
162.47879	0.4
185.78728	0.3
192.87819	0.3
235.52873	0.4
365.81601	0.3
407.24054	100.0
408.24377	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.5
81.07043	1.3
95.08617	0.8
97.49619	0.3
107.08687	0.4
110.38090	0.4
116.98559	0.4
136.06180	1.8
140.83301	0.3
159.87521	0.4
184.08479	0.4
191.18037	0.7
194.09073	0.4
269.13562	1.0
379.24515	1.8
407.24045	100.0
408.24393	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	407.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
69.98491	0.4
70.74434	0.5
86.36805	0.4
351.30612	0.5
390.20526	0.4
407.24054	100.0
408.24313	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	2.7
57.07070	1.2
70.06588	2.9
70.59231	2.0
79.05493	1.5
88.07592	1.1
91.05476	1.2
93.07045	1.9
95.04978	2.5
95.08590	1.1
97.48808	0.9
97.99960	1.0
104.99277	2.0
105.07015	1.8
107.08549	1.7
117.06987	1.8
119.08544	2.0
121.10178	2.1
131.08595	1.4
132.10229	1.4
145.10109	1.2
166.22461	1.0
176.12773	1.8
217.07402	1.1
233.96025	1.1
241.07556	2.4
256.26422	1.3
256.97113	1.0
259.08527	3.2
309.16592	2.0
313.55212	1.0
316.75598	1.0
321.16937	1.2
338.17059	2.3
349.16843	4.1
362.31470	1.1
367.17944	7.6
385.18933	4.9
406.35425	6.3
407.24060	100.0
407.35278	10.6
408.24368	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	407.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86131	0.4
69.64504	0.8
70.06590	1.6
83.05822	0.5
85.67067	0.5
98.22732	0.7
104.99313	0.7
132.10208	0.6
132.36073	0.4
140.14635	0.5
300.29004	1.3
301.29330	1.5
337.16208	0.6
344.31595	0.9
345.31961	0.6
349.20035	1.1
406.35220	3.4
407.24051	100.0
407.35342	8.2
408.24414	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	407.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60683	0.3
66.20780	0.3
70.42368	0.4
70.42692	0.4
73.58514	0.3
165.62689	0.3
187.70879	0.3
202.23529	0.3
292.55722	0.4
407.24039	100.0
408.24377	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	407.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
66.65498	0.3
67.05502	0.6
69.65722	1.0
69.66105	0.5
71.08659	0.2
74.83958	0.2
78.82079	0.3
81.07057	0.3
98.22742	0.5
105.07050	0.3
301.80792	0.3
363.02966	0.3
385.51862	0.3
407.24048	100.0
408.24335	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	407.2583
Annotation	Nandrolone phenpropionate
Peak:m/z	Relative Intensity
51.88756	1.6
57.07071	2.1
67.05518	6.8
69.03429	3.7
69.07069	3.7
70.30877	4.3
79.05508	8.7
81.07056	11.5
85.06538	2.9
86.74502	1.9
91.05494	9.1
93.07063	11.1
95.04973	21.2
95.08632	5.2
97.06534	2.3
105.07030	19.0
107.04988	2.4
107.08618	7.5
109.06525	5.1
109.10238	2.4
117.07040	4.4
119.08585	10.3
121.06544	4.3
121.10162	3.8
123.08119	5.2
129.07008	4.3
131.08627	8.3
133.06535	3.9
133.10179	6.2
135.08073	4.0
140.56287	1.7
142.07813	2.2
143.08585	11.1
145.10127	11.7
147.08109	4.8
149.09628	3.8
151.07588	4.9
156.09381	3.3
157.10188	8.7
159.08076	1.9
159.11751	7.6
161.09731	3.9
162.55490	2.2
165.09196	4.8
169.10294	4.1
171.11722	7.0
173.09724	2.5
173.13297	2.3
177.09212	2.6
181.10176	6.2
182.11009	3.0
183.11800	2.8
185.13483	2.6
187.11169	2.5
189.12917	2.2
193.10211	2.6
195.11865	4.6
199.11305	7.0
207.11841	3.6
207.13750	3.3
209.13342	4.5
213.12827	3.0
221.15352	4.1
231.14024	2.0
309.46515	1.9
389.24969	3.7
407.25812	100.0
408.26050	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	408.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.8
55.01876	8.6
55.05508	4.7
57.03431	7.4
60.04529	3.0
61.02925	6.1
67.05489	3.0
68.99758	3.1
69.03432	32.3
71.05010	4.8
73.02921	7.1
81.03428	29.7
83.08616	2.8
85.02904	100.0
87.00826	41.9
95.08633	3.1
97.02894	46.6
97.03487	3.6
97.10162	4.1
99.04448	15.6
105.01862	56.9
108.04486	12.1
109.02883	34.8
117.01871	3.6
120.27888	2.1
126.05544	6.2
127.03912	80.4
128.04271	3.3
129.01839	5.4
138.63393	2.2
142.12305	2.1
143.10724	5.7
145.04964	43.7
147.02969	3.0
159.02884	22.4
213.03995	3.7
230.06676	4.7
231.04932	21.0
245.22264	2.2
248.07684	8.1
249.06023	3.4
258.20740	4.4
294.10141	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01875	7.4
55.05495	2.0
57.03437	6.7
60.04512	0.9
61.02935	4.9
67.05511	1.4
68.99799	2.3
69.03066	1.8
69.03435	33.5
69.07068	4.5
69.15466	5.7
71.04988	5.2
73.02914	5.6
77.53188	0.9
78.59161	0.9
78.83927	0.9
81.02963	1.6
81.03421	23.2
81.07064	2.6
83.04973	1.9
83.08622	2.1
85.02908	100.0
86.03253	1.4
87.00835	39.1
87.04462	1.6
89.22670	0.9
91.03922	1.2
91.05473	1.5
93.07080	1.0
95.08607	1.4
97.02898	27.1
99.04457	13.3
101.02385	1.3
103.03910	1.2
105.01871	57.4
105.07021	1.0
107.08551	1.0
108.04472	3.6
109.02882	29.9
115.03934	1.0
115.26627	1.0
117.01855	3.1
119.08580	1.2
126.05560	0.9
127.03921	65.9
128.04257	1.0
129.01840	4.2
145.04967	30.8
146.05356	1.0
147.02866	2.7
147.04453	1.0
151.07509	2.8
153.12724	1.9
159.02887	13.9
165.12770	1.1
183.13699	1.1
189.03920	3.0
191.07076	1.1
199.00710	0.9
213.03864	2.1
231.05006	22.0
249.06094	3.7
251.16437	5.7
311.18478	1.0
337.16479	4.8
355.17609	1.6
399.69202	0.9
408.27844	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	24.2
57.07073	3.1
62.06092	17.7
67.05500	4.5
68.09102	1.4
69.07062	3.3
71.04996	1.6
71.45914	1.7
79.05502	2.5
81.07059	6.5
82.06585	2.4
83.04985	5.1
83.08624	14.1
84.08151	2.8
85.06510	1.8
91.05486	3.1
93.07032	7.2
95.04981	11.6
95.08622	4.2
98.09692	3.6
100.07621	9.1
100.11257	37.9
102.29273	1.4
105.07029	6.4
107.08580	4.2
109.06529	1.7
109.10168	2.1
111.04451	5.7
112.07614	6.1
117.03365	1.7
117.07019	1.8
119.04934	3.1
119.08575	6.3
121.10162	2.3
124.07584	1.7
126.09142	3.9
128.07104	3.7
131.04916	2.7
131.08575	4.0
133.10126	1.7
140.07068	2.9
142.08707	1.6
143.08543	2.9
145.02846	3.6
145.10136	6.5
147.11687	4.3
156.09233	1.4
157.10176	3.1
159.08076	2.1
159.11690	3.3
163.11151	1.5
173.09601	2.8
173.13300	1.7
176.15266	1.6
177.05489	3.9
182.15410	58.1
183.11742	2.3
183.15755	2.5
185.09537	1.7
185.13181	2.7
186.31853	1.4
187.11215	3.1
192.13802	1.6
195.11665	2.2
199.18059	10.4
203.41125	1.4
209.13271	3.9
209.16461	1.6
210.14912	34.3
211.14896	2.1
226.19186	1.9
227.17630	2.8
228.16002	4.7
231.13966	1.7
233.16441	3.8
237.12828	1.9
237.16322	3.0
251.69598	1.5
255.13786	3.1
255.17470	3.7
256.85806	1.4
265.15903	2.4
283.16879	7.4
301.17957	2.7
308.27011	1.6
309.21729	21.0
309.25348	5.3
310.21710	2.1
311.16370	2.5
326.21115	1.8
358.97784	1.6
372.21729	3.1
390.22659	5.2
390.31155	6.5
408.23761	100.0
408.32178	53.0
408.37750	2.9
409.24075	6.2
409.32532	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	408.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
65.03949	0.5
66.22617	0.4
67.05492	0.6
69.47574	1.5
79.05512	1.4
90.04670	0.5
91.05500	2.4
95.04982	0.8
98.23459	0.9
102.61931	0.4
103.05489	0.8
105.03424	0.5
105.07030	1.0
106.04190	0.6
107.04944	5.1
108.05751	2.8
110.50476	0.4
115.05469	0.6
117.07022	1.0
121.06505	1.2
131.04944	1.4
133.06429	0.7
135.04391	2.0
135.08014	1.5
136.05202	5.6
137.05916	2.4
145.06500	1.5
146.07289	1.7
147.08055	4.5
149.05942	0.6
150.06810	1.4
151.07549	100.0
152.07884	3.3
159.08043	0.6
160.08888	0.7
161.06010	0.4
161.09589	1.2
163.07585	3.2
164.08412	0.6
165.09123	7.9
172.08807	0.6
173.09625	0.7
174.06726	0.7
175.07541	1.1
176.08287	1.5
177.07709	0.7
177.09129	7.6
179.10689	1.1
186.10414	1.2
188.08342	1.7
189.09100	2.5
191.10674	2.8
202.09892	0.9
203.10669	2.0
205.12231	0.5
217.07487	0.5
217.12254	4.9
221.11739	0.7
229.07472	1.2
235.13374	0.6
247.08514	0.6
323.16452	1.2
331.15784	0.5
340.16702	12.7
341.17068	1.2
355.14676	0.9
355.19055	17.7
356.19199	1.2
367.17743	1.8
373.19949	1.4
385.19012	1.2
390.18423	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
74.94231	1.2
109.05003	11.8
110.91682	1.3
117.06030	1.2
121.82431	1.4
122.05776	2.2
137.55719	1.3
149.06020	1.3
150.08862	1.5
164.10471	3.7
178.11971	3.4
206.15157	2.1
207.15901	3.1
234.14648	16.4
246.18298	4.7
290.17245	3.9
292.18799	11.0
298.29636	1.2
320.18729	1.4
346.27197	13.2
347.27472	1.3
347.42981	1.4
354.26965	1.3
362.26727	2.5
374.26663	100.0
375.26981	8.1
390.26154	51.6
391.26276	3.4
408.24463	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.1
56.96566	4.6
57.03437	4.8
61.11951	2.6
63.20568	2.8
67.05510	9.1
69.03433	8.3
69.07078	8.8
69.12952	18.9
70.06601	5.5
71.44075	2.9
73.50115	2.8
75.66885	2.9
81.03415	3.6
81.07073	12.2
81.30350	2.9
85.02913	28.5
95.08628	10.9
97.02887	10.5
98.97603	15.8
109.02878	3.9
109.10139	4.4
110.97601	3.5
116.98638	11.2
127.03980	5.2
128.98639	4.6
145.12260	6.3
151.04013	3.1
179.03873	4.0
199.16759	3.1
210.22186	25.8
211.22545	8.6
219.01843	8.5
221.04921	6.9
228.23227	33.4
229.23659	6.7
237.02896	10.7
246.24281	63.7
246.26651	4.5
247.09547	4.2
247.24664	12.7
257.04736	3.7
259.07150	5.1
274.84528	2.8
301.00607	3.1
323.08124	21.6
341.09027	21.5
365.09009	14.8
383.10007	3.9
408.29556	32.9
409.09079	100.0
409.14261	6.2
409.18481	14.5
409.29956	10.6
410.09409	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	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
72.80038	0.4
85.02891	0.5
105.01871	0.5
136.27159	0.5
185.04251	1.7
242.57530	0.4
246.05058	1.6
247.05772	10.3
293.12161	0.4
334.34360	0.5
365.12048	0.7
409.11041	100.0
409.18515	3.3
410.11365	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
69.64849	1.9
70.06594	0.5
86.09687	0.5
110.61266	0.5
112.12511	0.4
136.07611	0.6
139.03801	0.5
145.02859	0.5
163.03908	0.8
185.04204	8.3
197.60252	0.5
246.05046	1.7
247.05788	5.1
257.04498	0.8
336.04263	0.4
365.12140	1.2
409.11041	100.0
410.11417	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	409.1108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.09456	0.4
70.72933	0.5
70.73273	0.5
97.11307	0.4
114.99054	0.5
185.04239	2.6
195.67178	0.5
246.05043	1.7
247.05797	13.7
248.06079	0.5
348.23148	0.5
409.10999	100.0
409.18213	25.7
410.11374	6.4
410.18396	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
71.29786	0.9
80.76718	0.6
81.07053	0.8
85.02901	0.7
145.12213	0.7
174.75842	0.6
185.04204	31.3
232.57744	0.6
247.09415	32.0
248.09686	1.4
257.04358	1.5
263.96738	0.7
289.64059	0.6
378.70911	0.7
409.14651	100.0
410.15063	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
67.48098	1.1
69.07046	1.5
70.62301	2.5
126.31098	1.3
214.58611	1.6
223.09383	3.1
247.09448	7.4
257.38190	1.2
309.62466	1.2
409.16037	100.0
410.16653	7.0
411.84540	1.5
421.26022	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
62.63378	0.3
71.34878	0.4
72.93202	0.3
85.07590	0.3
87.20693	0.3
112.87940	0.3
203.05347	0.4
247.05798	2.0
254.07310	0.4
333.89859	0.3
335.75220	0.4
409.11169	12.5
409.18329	100.0
410.11514	0.7
410.18704	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27112	0.3
69.38515	1.5
70.06579	0.3
95.78029	0.3
107.01041	0.6
178.93990	0.3
203.05273	0.5
205.29077	0.3
206.44623	0.3
229.60260	0.3
229.89697	0.3
247.13063	2.5
264.73114	0.3
275.07040	1.0
392.14133	0.3
409.18320	100.0
410.18680	7.7
410.23904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60702	0.3
69.21801	1.6
71.47012	0.2
86.70541	0.3
105.46512	0.3
105.52557	0.3
125.09633	0.4
185.04254	0.4
187.75656	0.3
196.86037	0.3
203.05138	0.3
247.12984	1.4
409.18323	100.0
410.18677	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38989	0.6
60.90036	0.7
65.56537	0.6
67.13366	0.7
84.12561	0.6
85.47036	0.6
88.87806	0.7
120.08126	1.0
170.75916	0.6
184.07359	1.1
307.08823	0.8
323.98578	1.1
409.18365	100.0
410.18839	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22000	0.3
55.05500	0.3
58.96576	0.3
59.22240	0.2
65.68300	0.3
69.13888	1.7
73.85542	0.3
98.23416	0.7
127.69076	0.3
131.04054	0.3
185.04211	1.2
187.07361	0.3
247.13051	100.0
248.13374	4.8
315.58530	0.3
320.06531	0.3
409.18317	59.6
410.18658	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.9
55.05508	19.8
61.02927	13.9
67.05510	23.4
68.99798	10.0
69.07055	10.8
79.05487	26.3
81.06621	6.2
81.07060	67.4
83.08595	4.8
87.00838	12.6
91.05495	41.2
93.07040	55.5
95.04977	10.6
95.08611	56.0
97.06544	9.9
100.38931	3.5
102.05590	3.8
105.04556	4.4
105.07030	79.5
107.08593	100.0
109.06576	7.5
109.10160	20.0
117.06970	4.6
118.98336	3.3
119.08592	77.6
121.06508	6.8
121.10141	90.0
122.10478	3.6
123.08073	21.3
123.11728	13.6
125.09668	5.0
129.01866	11.5
131.03394	13.6
131.08586	12.8
133.01311	19.6
133.10130	84.6
135.08066	5.8
135.11699	91.6
136.12021	4.8
137.09589	6.1
142.07813	4.3
143.08565	6.9
145.10176	9.6
147.08038	9.0
147.11696	33.5
157.01340	14.1
157.10147	9.7
159.11688	26.6
160.12369	4.8
161.09653	19.8
161.13268	58.7
171.11761	5.6
175.02385	71.3
175.11217	10.9
189.12730	9.9
189.16380	86.7
189.18002	5.7
190.16725	6.1
199.14835	9.2
217.15894	39.2
235.16946	8.3
283.09616	5.1
295.01065	3.6
409.18420	5.2
409.23508	28.9
410.24384	4.2
433.54385	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.22
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
56.97587	0.5
67.05483	0.9
68.83241	0.5
69.25669	3.5
71.36758	0.5
71.70549	0.6
82.82269	0.6
95.08580	0.7
115.94987	0.6
139.92445	0.6
166.56639	0.6
174.78423	0.5
193.04854	1.0
200.06879	0.5
206.04143	0.6
251.12325	0.6
312.64557	0.7
316.38553	0.7
329.59467	0.6
331.15659	0.6
331.51501	0.6
335.17947	1.0
344.12750	0.7
349.16656	0.8
389.49744	0.6
409.21667	100.0
410.22125	6.7
410.26172	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2353
Annotation	Adunctin A
Peak:m/z	Relative Intensity
51.06979	11.6
57.07087	61.7
57.11223	12.7
62.74110	11.3
69.87742	28.7
69.88074	17.9
82.65269	12.2
86.13496	11.7
165.94650	12.2
191.22285	14.8
308.19830	18.2
335.18851	23.3
392.25406	69.8
409.23425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.9
57.03431	5.9
62.61067	5.3
66.58543	5.3
67.05486	19.2
69.07074	7.2
79.05502	11.2
81.07045	22.5
91.05478	11.2
93.07048	9.4
93.85238	5.0
95.08612	12.6
99.78324	4.8
102.34778	5.1
105.07021	7.9
107.08597	10.1
109.06550	5.5
109.10205	7.6
118.15124	4.9
123.08051	5.6
133.10088	6.4
138.47641	4.8
148.07602	7.3
191.14253	4.9
206.08136	6.4
224.16444	17.7
256.19113	9.2
260.16522	25.9
278.17551	35.8
317.24753	23.1
336.25433	10.0
378.26303	12.4
409.23587	65.6
409.29443	14.3
410.19601	7.2
410.24216	5.3
410.28958	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28459	6.8
53.20288	6.3
59.97539	6.5
67.05499	17.4
69.07056	10.2
69.17702	43.0
75.32738	7.3
75.84370	7.2
79.05515	10.0
81.07056	16.8
88.68178	6.5
93.07059	8.1
95.08591	29.4
96.93830	8.0
97.05413	6.6
98.22845	24.6
103.49925	6.7
107.08624	7.3
109.10120	10.2
121.10175	9.0
133.08534	7.7
161.89191	7.2
167.23441	7.8
311.25946	13.6
409.18851	100.0
409.24634	79.0
410.19528	23.5
434.17700	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	31.9
56.09032	16.4
57.03436	20.5
67.05498	45.5
69.07083	29.5
70.69947	13.5
73.54889	13.8
79.05515	15.8
80.05032	14.3
81.07043	42.9
83.08614	32.2
93.07046	29.6
95.08604	64.9
107.01225	16.3
107.08639	15.2
109.10172	23.0
155.01013	14.1
194.45494	16.2
252.36327	21.1
262.47940	15.2
311.25754	23.7
317.24722	32.2
349.16574	20.5
367.18161	26.5
409.23816	100.0
409.29773	39.2
410.19363	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	0.9
69.60449	0.6
69.94800	1.4
69.95145	1.1
81.07036	0.6
84.63920	0.6
95.04977	1.0
95.08611	0.8
95.31092	0.6
105.07005	1.3
106.95850	0.6
124.06921	0.7
135.08009	0.8
135.54034	0.6
141.35689	0.7
225.98477	0.8
282.37061	0.7
331.15637	1.3
349.17014	1.8
367.17957	1.0
409.25610	100.0
410.20575	1.1
410.26022	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	409.2564
Annotation	Sarcrassin C
Peak:m/z	Relative Intensity
56.96577	1.8
81.07068	2.2
93.07036	1.6
105.07057	1.4
105.71369	0.9
119.08556	1.1
121.10165	1.0
136.59396	0.9
145.10059	1.2
191.36092	0.9
205.97456	1.0
213.07848	1.0
259.11856	1.0
331.15915	1.6
349.16742	6.1
350.19177	1.0
353.62521	1.1
355.20248	1.0
367.18149	4.8
390.19452	1.8
398.49289	1.1
402.98593	1.0
409.25601	100.0
410.20578	1.5
410.25900	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60301	1.6
53.03951	2.9
54.30226	1.6
55.01867	1.8
55.05511	19.1
57.07079	8.5
59.04993	6.0
65.03940	2.6
66.34799	1.5
67.05491	21.0
67.24821	1.5
69.03429	7.2
69.07063	8.4
69.59544	7.3
71.04992	3.1
73.89995	1.6
77.03914	2.1
79.05496	24.9
81.03400	4.1
81.07058	33.9
83.04971	7.0
83.08597	2.1
85.06551	4.3
91.05481	33.6
92.05765	1.9
93.07047	55.5
95.04969	56.0
95.08604	31.8
97.06532	15.3
103.05451	4.6
105.04530	4.7
105.07028	100.0
106.07319	2.4
107.04987	2.3
107.08598	30.4
109.06519	12.0
109.10172	9.3
115.05445	2.7
117.07020	16.3
119.08581	72.4
121.06511	19.7
121.10140	16.5
123.08065	19.1
125.05991	2.6
128.06242	5.0
129.06999	10.3
130.07814	3.5
131.08569	23.5
133.06483	6.3
133.10127	20.6
135.08028	15.7
135.11681	5.7
137.05969	1.8
137.09641	10.5
141.06995	3.8
142.07761	14.3
143.08571	18.1
144.09314	3.6
145.06505	2.8
145.10124	41.8
147.08037	16.4
147.11693	41.0
149.09607	10.1
151.07541	24.5
153.09087	3.3
154.07733	2.4
155.08585	11.2
156.09338	6.3
157.10127	29.7
159.08044	7.3
159.11690	17.4
161.09593	10.1
161.13304	5.0
163.11214	6.8
165.09114	37.9
167.08478	3.0
168.09323	4.7
169.10126	15.0
170.10916	2.9
171.08005	1.7
171.11697	13.7
173.09659	6.8
173.13268	10.8
175.11189	32.7
177.09154	3.6
181.10103	5.6
181.12291	3.0
182.10870	2.4
183.11661	16.9
185.13272	5.5
187.11215	4.2
187.14746	2.8
189.12801	6.9
191.14310	3.8
193.10223	3.4
195.11728	5.7
197.13266	4.9
199.11365	3.8
199.14847	2.5
201.12758	10.4
201.16420	3.1
203.14294	15.6
207.11867	3.5
207.13824	12.9
209.13254	4.7
209.15390	5.2
211.14838	6.2
213.12773	3.2
219.13866	3.5
221.13306	4.8
221.15350	98.8
222.15765	5.3
223.14908	3.3
227.14384	2.3
229.15851	8.7
231.13814	3.6
233.15369	4.3
234.16129	19.0
243.13907	1.9
253.15900	4.2
269.15414	1.9
269.19028	2.8
281.18701	1.9
281.37695	1.8
282.19785	2.1
286.19290	6.9
287.20084	10.3
299.19986	1.9
300.20834	7.1
317.21219	2.5
329.21100	7.8
335.19849	3.2
373.25119	3.5
391.26340	6.8
396.59634	1.7
409.27383	77.5
410.20938	1.6
410.27463	11.4
422.54242	1.8
422.78000	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	409.2739
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03936	3.2
54.55843	1.8
55.01867	3.1
55.05507	19.0
57.07062	6.0
59.04986	5.7
65.03920	2.1
67.05505	15.7
68.82779	1.7
69.03419	9.1
69.07053	9.2
69.32996	1.8
70.71341	3.0
72.52431	1.9
77.03909	2.6
79.05487	23.2
81.03376	2.2
81.07049	41.4
83.04979	9.0
83.08593	5.3
85.06546	3.2
91.05478	42.1
93.07037	60.3
95.04963	58.0
95.08604	38.4
97.06541	10.0
103.05452	4.2
105.04504	4.5
105.07026	100.0
106.84696	2.2
107.04919	2.4
107.08588	29.0
109.06516	15.1
109.10153	10.5
111.08096	4.6
115.05436	2.6
117.07018	15.4
119.08575	71.0
119.09422	4.0
120.50486	1.9
121.06500	25.4
121.10143	17.9
123.08047	21.0
123.11652	2.2
125.05969	2.2
128.06219	5.6
129.07021	8.1
130.07794	5.8
131.08569	26.2
133.06502	5.8
133.10126	28.9
135.08044	15.3
135.11659	5.6
137.09618	15.9
141.06963	5.6
142.07770	15.3
143.08560	21.1
144.09335	5.0
145.06540	3.7
145.10118	51.4
146.07210	1.9
147.08046	24.5
147.11674	42.3
148.08618	2.5
149.09599	11.8
151.07541	25.2
153.09082	3.5
155.08522	8.2
156.09337	7.6
157.10144	32.1
158.10780	3.2
159.08064	7.7
159.11690	21.8
161.09598	11.2
161.13243	4.5
163.11159	6.1
165.09119	43.5
166.07764	3.1
167.08548	4.5
168.09331	5.3
169.10130	17.2
170.10907	4.2
171.11641	13.6
172.08870	2.9
173.09621	4.7
173.13261	7.0
175.11192	29.4
177.09128	5.3
178.09927	2.9
181.10112	6.7
181.12247	5.6
182.10895	3.9
183.11685	14.8
185.09532	3.1
185.13248	7.1
187.11153	5.9
187.14767	3.4
189.12717	6.1
191.14279	2.6
195.11684	5.0
196.12360	2.4
197.13275	5.1
199.11188	5.9
200.11838	2.4
201.12709	8.4
203.14261	21.4
206.10905	2.3
207.11888	2.5
207.13773	11.1
209.13315	3.7
209.15355	6.3
211.14825	8.6
213.12724	4.8
215.14339	3.5
216.14978	2.6
219.13812	3.6
221.13388	3.8
221.15347	98.8
223.14844	3.2
225.12892	2.6
229.15851	7.0
231.13678	2.3
233.15251	3.9
234.16084	14.1
241.15768	2.6
253.15923	5.3
267.17471	2.2
269.18781	2.4
281.19043	3.6
286.19412	4.2
287.20078	12.4
291.17145	3.0
300.20691	6.1
313.21420	2.3
329.21124	7.7
329.82199	2.1
335.20041	3.3
373.24976	3.3
391.26288	10.5
392.26563	2.1
409.13083	17.9
409.27325	63.7
410.13315	8.5
410.27612	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	409.274
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03960	2.4
55.01876	3.2
55.05516	17.9
57.07079	9.5
59.04996	3.0
64.20591	1.1
65.03938	2.5
67.05500	16.4
67.41365	1.2
69.03424	7.8
69.07067	6.8
70.73885	1.7
71.05005	2.6
71.08639	2.2
77.03921	2.7
79.05495	21.6
81.07063	34.4
83.04971	3.4
83.08595	2.3
85.06541	2.1
85.10179	1.8
89.06030	7.7
91.05484	39.7
93.06448	1.9
93.07048	46.5
95.04971	52.1
95.08610	27.2
97.06541	11.3
98.97577	1.7
103.05466	3.1
105.04527	3.6
105.07033	100.0
106.07359	2.4
106.49718	1.2
107.04987	3.4
107.08596	24.3
109.06506	10.9
109.10167	6.1
111.04397	1.2
111.08089	1.5
115.05439	3.1
117.07030	15.8
119.04969	2.5
119.08581	62.5
120.08952	2.2
121.06507	17.9
121.10153	14.9
123.08071	18.1
128.06233	4.5
129.06998	10.3
130.07782	5.3
131.07585	1.0
131.08560	22.9
132.09370	2.4
133.06508	5.0
133.07614	1.6
133.08621	4.6
133.10124	17.5
135.08075	15.4
135.11707	3.6
137.06013	3.1
137.09616	8.9
141.06985	5.0
142.07780	12.4
143.08575	17.7
144.09322	5.3
145.06485	2.0
145.10123	35.9
147.08047	17.4
147.11687	39.5
149.09625	8.6
150.10414	1.5
151.07550	21.1
153.07019	1.7
153.09126	2.6
154.07806	2.2
155.08545	9.4
156.09361	4.7
157.10126	24.8
158.07312	1.3
158.10788	1.4
159.08040	6.7
159.11713	15.2
160.08879	1.6
161.09595	7.0
161.13252	4.8
163.11179	5.0
165.06967	2.1
165.09106	34.0
166.09401	1.4
167.08537	2.1
168.09351	4.1
169.10139	9.2
170.10974	3.0
171.08058	2.0
171.11687	10.1
173.09686	6.3
173.13220	6.3
175.11191	27.1
175.12651	2.4
177.09122	4.5
177.11234	1.5
178.09901	2.1
179.08635	2.3
181.10155	4.4
181.12288	2.3
183.11696	11.5
185.09602	2.2
185.13341	6.5
187.11197	3.8
187.14798	3.6
189.12772	6.0
191.14305	3.6
193.10106	3.2
194.10867	1.7
195.11708	5.1
196.12491	2.2
197.13338	3.4
199.11191	4.3
201.12770	8.4
201.16408	3.0
203.14307	13.9
207.11841	2.5
207.13824	8.2
209.13327	3.0
209.15393	3.8
211.14851	5.1
213.12726	4.0
215.14290	2.7
216.15060	1.7
219.13855	4.4
221.13367	3.4
221.15366	79.5
222.15765	4.0
223.14784	2.7
225.12885	1.6
225.16341	2.2
227.14381	2.5
229.15865	5.1
231.13875	2.6
233.15384	1.9
234.16139	16.5
239.14684	3.0
249.16583	1.3
253.15984	2.4
266.04092	1.5
269.18964	2.4
271.16882	1.8
286.19339	3.4
287.19986	8.2
299.19952	1.5
300.20850	5.6
329.21198	7.7
335.20178	2.6
373.24872	1.7
391.26291	6.4
393.32059	2.6
409.27371	54.7
410.27725	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53876	1.9
53.03936	3.4
53.13330	1.8
55.01868	2.1
55.05512	19.8
57.07072	11.9
59.04997	6.2
64.45364	2.1
65.03944	2.0
66.61536	2.0
67.05503	36.3
69.03429	9.6
69.07083	11.0
69.76315	5.7
69.76664	2.2
71.04984	4.4
71.08642	2.2
72.49560	1.9
73.30778	2.0
77.03918	2.8
79.05491	28.1
81.03409	2.6
81.07059	43.8
83.04984	6.7
83.08630	2.2
85.06565	5.3
85.10191	2.0
86.81709	2.3
89.06025	9.9
91.05482	44.3
93.07044	54.4
93.07607	4.2
95.04971	58.5
95.08602	36.0
97.05998	3.0
97.06520	14.1
103.05437	1.9
105.04514	3.0
105.07032	100.0
106.07401	2.9
107.08591	31.8
109.06523	19.8
109.10159	45.8
111.08086	2.8
113.09635	2.1
115.05441	2.1
117.07040	14.9
119.08578	73.2
119.09424	3.8
121.06493	24.4
121.10143	24.6
123.08067	24.2
123.11642	2.9
127.11219	5.0
128.06229	6.8
129.07011	9.6
130.07808	4.7
131.08551	25.1
132.09377	2.1
133.06502	6.4
133.08606	5.4
133.10129	25.6
135.08041	14.4
135.11722	6.3
137.09647	8.1
141.07010	7.6
142.07805	15.8
142.62898	1.9
143.08556	24.7
144.09346	7.7
145.06561	2.4
145.10123	48.2
145.11200	2.7
147.08049	19.7
147.11676	35.9
149.09633	8.1
151.07555	29.9
153.06989	2.8
153.09093	2.6
155.08582	9.2
156.09349	8.2
157.10132	33.1
159.08072	5.3
159.11726	19.0
161.09612	10.6
161.13242	4.8
163.11208	6.2
165.09125	40.1
166.07782	2.2
167.08563	4.1
168.09373	7.0
169.10130	15.9
170.10986	2.8
171.11691	15.0
172.12599	2.3
173.09660	8.1
173.13290	9.5
174.49802	2.0
175.11189	27.6
175.14824	3.0
177.09094	5.0
179.08527	3.3
180.09386	3.3
181.10092	5.8
181.12302	4.6
182.10938	3.6
183.11656	17.1
185.13249	7.7
187.11198	4.8
187.14838	2.5
189.12778	7.7
191.14206	3.3
193.10213	3.3
194.10893	2.3
195.11618	3.6
197.13232	5.8
199.11237	4.5
199.14864	3.6
201.12749	9.7
201.16463	2.6
203.14346	18.6
207.11751	5.4
207.13870	10.5
209.13280	5.9
209.15341	4.5
211.14851	8.5
213.12776	4.9
215.14317	4.7
216.15111	3.6
219.13771	3.7
221.13388	3.9
221.15369	79.0
222.15729	2.1
223.14877	4.8
225.12837	2.9
225.16344	3.0
229.15901	7.6
231.13789	2.7
233.15347	5.6
234.16133	12.8
235.14546	2.4
239.14766	5.5
253.15814	4.7
257.08365	2.2
286.19406	4.9
287.20261	9.6
329.21280	6.6
353.21170	1.9
373.25122	3.1
391.26422	9.2
393.32196	4.9
406.90320	2.5
409.27411	77.7
410.27844	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.01861	1.9
55.05295	1.3
55.05514	17.5
57.03419	1.1
57.07087	6.3
59.04978	2.2
65.03934	2.5
67.05510	18.2
69.03431	8.4
69.07076	7.1
79.05492	21.2
81.03410	2.0
81.07060	30.8
82.07409	1.5
83.04969	4.2
85.06527	2.2
91.05481	37.9
93.07047	47.1
94.07399	1.7
95.04971	48.9
95.08022	1.9
95.08607	24.9
97.06544	6.4
103.05457	3.0
105.07034	100.0
106.07288	1.7
107.04905	1.8
107.08593	24.0
109.06529	12.6
109.10178	6.8
111.08085	3.0
114.55881	1.1
115.05460	3.4
116.06263	1.3
117.07018	13.4
119.04955	1.9
119.08586	60.1
121.06512	19.6
121.10146	15.3
122.09640	2.0
123.08064	15.5
125.05978	1.3
125.09650	1.4
128.06241	5.4
128.63237	1.1
129.07021	7.0
130.07768	5.6
131.08565	22.2
132.09317	1.6
133.06454	4.4
133.10146	18.7
135.08049	13.2
135.11679	3.3
137.05986	2.4
137.09662	8.6
141.06999	3.4
142.07808	11.5
143.08577	14.5
144.09325	5.0
145.06500	2.5
145.10130	34.1
146.10799	2.3
147.08058	17.9
147.11688	36.3
147.12849	2.0
148.11917	1.3
149.09607	10.8
150.04372	1.3
150.10287	1.3
151.07561	17.0
153.06995	1.7
153.09116	2.8
155.08568	7.5
156.09328	5.9
157.10110	20.5
159.08052	5.5
159.11678	14.4
160.08762	1.3
161.09628	8.6
161.13240	4.7
163.07574	1.3
163.11131	4.3
165.09123	29.7
165.12794	2.0
166.07800	1.5
166.09415	1.5
167.08566	2.7
168.09312	6.3
169.10121	8.7
170.10895	2.4
171.11682	7.2
173.09624	3.8
173.13284	5.7
175.11186	29.9
175.14885	1.5
177.09113	3.2
179.08614	1.9
180.09309	1.4
181.10117	2.4
181.12247	1.8
182.10782	1.6
183.11639	10.5
185.09630	2.5
185.13237	4.9
187.11206	3.9
187.14871	1.5
189.12782	5.6
191.14281	3.3
193.10268	1.9
194.10863	1.6
195.11693	2.9
197.13243	5.0
198.43639	1.2
199.11221	3.2
199.14902	1.7
201.12712	6.2
201.16322	1.4
203.14337	12.5
206.10872	1.8
207.11823	2.8
207.13812	6.6
208.12492	1.4
209.13316	2.7
209.15308	3.0
211.14781	6.2
213.12747	3.4
215.14230	2.6
216.14917	1.4
219.11780	1.5
219.13795	3.3
221.13435	2.5
221.15358	61.4
222.15700	2.6
223.14772	1.6
229.15862	4.4
233.13286	1.7
233.15419	2.4
234.16151	15.2
237.12711	1.7
253.15994	2.2
261.16357	1.5
269.19049	1.5
285.18204	1.5
286.19196	2.6
287.20029	7.7
300.20856	3.7
329.21100	4.8
373.25226	2.3
391.26163	5.3
409.27383	38.9
410.27759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	22.9
57.07071	7.3
62.19233	5.3
67.05496	36.9
69.07066	25.3
71.04987	16.0
72.94568	5.7
79.05489	27.5
81.07055	100.0
83.08598	15.9
85.06542	5.6
89.06037	6.7
91.05483	30.6
93.07045	83.4
93.94739	6.0
95.04982	11.8
95.08601	97.5
97.10169	8.7
105.07021	66.0
107.08601	86.0
109.10149	55.1
111.08070	18.4
113.09589	7.9
118.51118	5.0
119.08593	52.5
121.10141	61.2
122.10488	7.7
123.11709	23.4
129.07062	8.2
131.08551	19.2
133.10120	37.3
135.11673	40.4
137.09596	6.3
137.13249	8.3
143.08601	9.3
145.10124	34.4
147.11679	25.0
149.13251	66.3
157.10150	8.9
159.11697	33.4
161.13281	30.0
163.14828	12.8
171.11742	8.5
173.13292	15.4
175.14851	18.6
185.13268	10.1
187.14816	21.0
189.16359	16.7
191.18015	10.8
201.16331	7.9
203.17924	8.2
213.16351	12.0
215.17976	11.3
217.19472	22.5
229.19408	7.7
255.20847	9.2
259.24219	9.6
325.28769	7.5
351.30258	6.6
391.33820	6.9
409.34659	66.9
410.35226	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50578	1.9
65.03934	5.8
68.99776	2.0
70.06601	3.9
71.47747	1.7
72.08123	1.8
93.03392	12.2
107.04932	4.1
111.04444	34.8
117.03413	3.0
120.08085	2.2
123.04427	65.3
127.03906	38.4
131.04929	3.3
135.04416	100.0
136.04767	3.6
136.07562	3.0
136.34601	2.4
136.65727	1.9
139.03899	82.3
146.80841	1.9
149.02322	7.6
149.05927	2.9
151.03899	38.9
163.03908	32.7
173.05968	3.4
177.05473	4.1
179.03423	4.9
187.03729	2.8
197.06041	2.3
201.05502	4.6
213.05508	2.5
215.06892	2.4
229.38898	2.1
231.06544	4.4
237.66486	2.4
243.06552	3.1
248.18517	3.4
250.60844	2.1
259.05960	5.6
261.07578	12.8
271.05972	23.4
273.23578	1.9
289.07050	47.1
290.07382	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	410.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	10.2
55.01868	12.9
55.05516	5.3
56.11539	1.9
57.03440	4.9
60.04510	1.9
61.02931	5.5
62.39703	1.9
69.03429	28.7
69.07054	2.8
69.29890	10.4
69.53686	1.8
69.89381	2.5
71.04994	6.2
73.02905	10.8
76.64291	2.0
81.03417	32.1
82.06567	1.8
83.04967	2.9
83.08614	4.5
84.04523	6.4
85.02905	100.0
85.37894	2.0
87.00834	42.2
91.03976	4.3
91.05504	2.1
97.02891	51.5
98.22694	4.3
99.04450	15.5
100.11253	16.3
100.60982	2.2
105.01868	48.9
106.72392	2.0
108.04476	14.7
109.02873	38.2
109.10158	2.4
111.04433	3.3
111.73969	1.9
117.01865	6.7
118.69134	2.0
126.05506	6.4
127.03909	86.6
129.01854	6.1
132.75714	2.0
145.04959	49.1
154.12263	7.1
159.02882	27.5
168.13846	9.8
171.14827	3.0
182.15425	6.0
195.07802	2.3
196.13420	6.5
209.16461	2.2
210.14906	7.1
213.03920	3.8
230.06653	3.0
231.04970	20.3
238.07394	2.1
248.07700	6.2
249.06136	3.2
250.40840	2.0
261.20746	2.1
281.18631	3.2
409.80826	3.3
410.19031	6.0
410.31320	2.2
432.46381	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	410.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01883	2.7
55.05503	1.5
57.03429	2.2
57.07085	2.5
58.71103	0.5
58.91806	0.5
60.93106	0.5
61.02921	1.5
68.99768	0.8
69.03114	0.7
69.03436	7.8
69.07068	0.9
69.48469	2.2
70.06608	0.5
71.04633	0.8
71.04993	10.6
73.02911	2.0
73.06560	2.0
75.04456	0.9
81.03415	6.6
83.08617	1.2
85.02913	19.4
86.03235	0.7
87.00831	8.0
87.08098	0.9
91.05496	0.5
97.02897	8.1
98.97591	0.8
99.04478	3.3
99.71704	0.5
105.01868	8.6
109.02882	6.7
109.10168	4.7
111.39677	0.5
117.01833	1.3
127.03925	12.2
127.11198	25.7
129.01830	1.0
137.05864	0.6
145.04999	5.1
145.12239	100.0
146.12607	2.0
147.02962	0.5
159.02856	4.1
173.57069	0.5
180.03915	0.5
213.03957	1.0
213.41362	0.6
231.05049	2.9
287.97409	0.6
288.78711	0.6
324.08734	0.5
381.18985	0.7
410.09369	1.3
410.18936	3.1
410.25327	1.2
411.09735	0.7
411.19080	9.9
411.23776	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	410.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12146	1.8
52.71858	1.7
55.05505	3.3
56.96563	25.3
67.05485	2.1
71.45661	2.2
72.96033	1.8
73.98258	1.6
80.94835	3.8
81.07046	2.3
89.93259	1.6
93.07014	1.8
97.96834	2.2
105.63303	1.9
110.97591	2.6
129.02344	1.8
155.03749	3.3
171.03282	2.4
173.04889	2.5
181.05415	2.5
183.03204	1.9
199.06387	10.6
203.05930	2.0
211.06471	6.9
213.07962	8.8
213.21423	1.8
217.07532	7.5
223.10040	2.2
225.08037	2.2
229.07477	46.6
231.09052	6.3
237.07648	2.4
241.11134	6.6
243.09087	4.1
247.08511	25.7
251.09627	6.1
252.09097	2.7
255.08992	3.7
257.07135	2.3
257.10583	2.0
259.12253	6.0
269.10608	26.4
273.10153	2.2
276.19229	1.9
287.11661	10.3
333.17368	23.8
334.13324	2.4
351.18405	36.9
352.18915	2.2
369.19489	100.0
370.19916	6.0
374.20148	2.2
375.21072	6.9
387.20560	88.8
388.20880	7.2
410.18600	2.2
410.22382	11.0
411.19800	7.1
413.06696	1.8
428.20502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03870	0.9
50.49015	0.7
50.86591	0.8
55.01882	0.9
55.05513	3.0
57.07083	2.9
59.04703	1.3
59.05005	26.8
67.05524	1.5
69.03432	22.5
69.07072	1.2
69.66061	3.5
71.05014	2.5
73.06566	2.6
73.32027	0.7
74.39465	0.8
78.80170	0.7
80.12456	0.8
81.03443	1.8
81.07079	0.8
83.04980	1.4
83.08628	4.4
85.02916	7.0
85.06536	4.3
85.10173	2.1
87.04466	3.0
91.99680	0.8
93.07037	1.1
95.08615	4.5
97.02891	2.8
97.10172	3.0
105.01871	1.0
105.07024	0.8
107.08578	1.1
109.10159	0.9
111.04465	1.3
113.09639	2.5
125.09634	35.3
127.03931	3.2
127.11200	2.3
143.10681	100.0
144.11090	2.3
145.02852	1.7
145.04965	2.5
145.06511	1.6
147.04459	1.1
153.05545	1.6
167.36064	0.9
177.05519	3.1
213.14905	6.7
231.15923	25.8
235.14413	1.2
265.15317	0.9
327.04346	1.2
369.05368	1.1
410.19324	5.3
410.33652	1.0
411.19226	3.2
428.19849	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.273
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
55.05519	5.6
57.07072	0.8
67.05507	4.3
69.07084	5.0
69.48502	2.2
70.06599	0.7
71.05028	0.8
72.08156	1.4
79.05499	4.4
80.77281	0.5
81.07066	6.7
82.06587	4.8
83.04990	3.0
83.08619	2.4
83.56004	0.5
90.30610	0.6
91.05486	2.3
93.07053	2.3
95.04988	0.6
95.08611	4.9
97.01160	0.7
97.06539	1.3
97.10177	1.3
105.07033	3.1
107.08605	1.8
108.08170	0.8
109.06561	0.7
109.08949	1.3
109.10162	1.7
110.09678	5.6
111.02688	1.2
117.07035	0.8
118.52115	0.6
119.08604	2.5
121.10191	1.3
123.11729	0.8
124.79782	0.7
125.04225	0.7
125.05994	5.8
129.03716	0.8
131.08554	0.8
133.06493	0.6
133.10159	1.7
137.06024	1.3
138.12770	1.0
140.05272	1.5
141.03677	4.6
145.10127	0.8
147.11714	1.0
154.06880	0.6
156.04785	1.4
159.11819	0.7
161.09583	3.0
167.08928	1.3
168.04765	3.1
168.08452	0.7
175.11131	2.7
179.10696	2.0
181.06813	1.3
182.06384	2.2
184.07957	4.0
187.11243	0.6
193.12160	0.8
194.19099	1.2
203.14355	0.8
221.15393	1.4
224.14703	0.7
238.12790	0.8
239.13235	0.9
252.14246	2.4
278.15750	0.6
280.14014	1.3
280.17361	4.4
285.22070	4.3
291.18097	0.7
296.16873	2.4
303.23203	1.2
306.15161	0.9
308.16782	6.0
319.17154	0.7
326.17856	10.1
327.18286	1.1
356.81204	0.7
364.22845	0.7
364.26865	1.6
374.25092	1.0
392.26224	24.6
393.26453	2.8
410.27264	100.0
411.27570	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	410.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
55.05512	20.3
57.07067	20.1
64.83895	3.8
67.05506	36.1
67.73290	3.5
68.05843	10.7
69.03429	5.8
69.07068	15.1
71.04993	5.7
71.08636	7.8
79.05499	33.1
80.05843	6.1
80.20992	3.2
81.06612	5.4
81.07061	42.4
82.07379	18.1
83.04986	8.6
83.08586	6.8
85.10156	6.3
86.06827	3.5
89.06036	27.3
91.05479	41.4
92.05814	11.2
93.07052	47.5
94.07366	15.6
95.04964	55.8
95.08607	32.8
96.05312	18.2
96.08944	12.2
97.06533	11.9
98.06865	5.5
103.73432	3.3
105.07023	89.1
106.07354	35.9
107.08599	23.8
108.08949	7.7
109.06515	17.2
109.10162	38.0
110.06816	5.4
110.10503	14.8
111.07954	4.1
115.05437	4.0
117.07001	11.9
119.08588	59.9
120.08903	29.0
121.06502	16.7
121.10142	18.1
122.06827	7.3
122.10466	5.1
123.08082	20.2
124.08385	10.0
128.06227	6.5
129.06979	9.1
130.07793	5.7
131.08614	21.1
132.08939	10.8
133.06450	5.3
133.08594	15.5
133.10138	14.9
134.10500	7.1
135.08102	9.2
135.11708	5.8
136.08406	5.7
137.09593	7.3
138.10033	6.0
141.06958	5.7
142.07735	6.2
143.08490	14.2
144.08890	7.2
145.06480	4.0
145.10135	35.1
146.10463	21.8
147.08015	10.2
147.11681	27.2
148.08414	6.5
148.12038	14.7
149.09607	8.6
150.10068	4.1
151.07571	20.2
152.07921	7.9
154.07376	3.3
155.08607	7.5
156.09055	4.5
157.10178	18.4
158.10481	14.8
159.08035	3.7
159.11688	10.9
160.12033	12.3
161.09599	7.8
161.13264	4.7
162.10057	5.9
162.13577	5.9
164.11525	3.6
165.09109	25.6
166.09462	14.6
168.09380	5.0
169.10048	11.9
170.10541	10.3
171.11606	9.1
172.12064	6.1
173.13235	5.5
174.10139	4.7
175.11201	22.1
176.11514	15.9
176.12921	3.9
177.09019	5.4
181.90088	3.8
183.11621	7.7
184.12039	8.0
185.13135	4.1
187.11031	4.5
187.96449	3.9
188.11633	4.3
190.13089	5.2
196.12047	5.8
197.13278	5.0
200.15106	5.5
201.12817	9.7
203.14297	5.8
204.14674	11.5
207.11668	5.6
207.13741	8.0
208.14177	5.5
221.15393	47.7
222.15689	54.9
228.97676	3.6
229.15929	6.5
235.16490	8.4
239.14879	14.8
278.55927	3.7
287.00311	3.9
287.19568	4.4
288.20398	7.2
296.68408	3.7
301.21030	5.1
330.21606	8.7
392.26364	13.8
393.31992	6.5
410.19217	5.2
410.27786	100.0
410.33258	14.2
411.28003	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	410.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	4.1
55.05512	20.3
57.07067	20.1
64.83895	3.8
67.05506	36.1
67.73290	3.5
68.05843	10.7
69.03429	5.8
69.07068	15.1
71.04993	5.7
71.08636	7.8
79.05499	33.1
80.05843	6.1
80.20992	3.2
81.06612	5.4
81.07061	42.4
82.07379	18.1
83.04986	8.6
83.08586	6.8
85.10156	6.3
86.06827	3.5
89.06036	27.3
91.05479	41.4
92.05814	11.2
93.07052	47.5
94.07366	15.6
95.04964	55.8
95.08607	32.8
96.05312	18.2
96.08944	12.2
97.06533	11.9
98.06865	5.5
103.73432	3.3
105.07023	89.1
106.07354	35.9
107.08599	23.8
108.08949	7.7
109.06515	17.2
109.10162	38.0
110.06816	5.4
110.10503	14.8
111.07954	4.1
115.05437	4.0
117.07001	11.9
119.08588	59.9
120.08903	29.0
121.06502	16.7
121.10142	18.1
122.06827	7.3
122.10466	5.1
123.08082	20.2
124.08385	10.0
128.06227	6.5
129.06979	9.1
130.07793	5.7
131.08614	21.1
132.08939	10.8
133.06450	5.3
133.08594	15.5
133.10138	14.9
134.10500	7.1
135.08102	9.2
135.11708	5.8
136.08406	5.7
137.09593	7.3
138.10033	6.0
141.06958	5.7
142.07735	6.2
143.08490	14.2
144.08890	7.2
145.06480	4.0
145.10135	35.1
146.10463	21.8
147.08015	10.2
147.11681	27.2
148.08414	6.5
148.12038	14.7
149.09607	8.6
150.10068	4.1
151.07571	20.2
152.07921	7.9
154.07376	3.3
155.08607	7.5
156.09055	4.5
157.10178	18.4
158.10481	14.8
159.08035	3.7
159.11688	10.9
160.12033	12.3
161.09599	7.8
161.13264	4.7
162.10057	5.9
162.13577	5.9
164.11525	3.6
165.09109	25.6
166.09462	14.6
168.09380	5.0
169.10048	11.9
170.10541	10.3
171.11606	9.1
172.12064	6.1
173.13235	5.5
174.10139	4.7
175.11201	22.1
176.11514	15.9
176.12921	3.9
177.09019	5.4
181.90088	3.8
183.11621	7.7
184.12039	8.0
185.13135	4.1
187.11031	4.5
187.96449	3.9
188.11633	4.3
190.13089	5.2
196.12047	5.8
197.13278	5.0
200.15106	5.5
201.12817	9.7
203.14297	5.8
204.14674	11.5
207.11668	5.6
207.13741	8.0
208.14177	5.5
221.15393	47.7
222.15689	54.9
228.97676	3.6
229.15929	6.5
235.16490	8.4
239.14879	14.8
278.55927	3.7
287.00311	3.9
287.19568	4.4
288.20398	7.2
296.68408	3.7
301.21030	5.1
330.21606	8.7
392.26364	13.8
393.31992	6.5
410.19217	5.2
410.27786	100.0
410.33258	14.2
411.28003	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	410.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.3
57.07070	9.6
58.12035	3.9
58.96178	5.1
67.05499	12.7
69.07073	45.9
71.08638	6.8
71.46308	4.0
79.05489	43.1
81.07054	49.1
81.75157	4.2
83.04961	4.8
83.08612	13.8
89.06017	6.0
91.05488	20.0
93.07017	13.9
95.04943	10.9
95.08591	30.7
97.06511	16.9
97.10163	10.4
105.07036	32.8
105.92888	4.7
107.04973	6.8
107.08595	11.1
109.10146	20.2
111.04457	8.8
111.11762	5.4
111.95531	4.2
119.08565	17.6
121.06471	4.9
121.10172	5.7
121.25192	4.3
125.05989	100.0
133.10118	28.1
137.05966	7.1
145.10139	12.9
147.08003	5.7
147.11690	8.5
150.52917	4.5
151.07608	9.8
157.10176	5.6
159.11665	7.8
161.09604	54.2
173.13202	6.9
175.11182	37.7
175.14865	8.6
179.10664	24.9
187.14815	5.2
193.12270	18.9
202.06606	5.1
203.14279	13.3
219.13866	10.1
221.15318	26.7
233.15344	5.9
247.16747	6.7
257.22708	14.8
267.21140	7.8
272.30368	5.3
285.22107	58.1
286.22568	6.7
303.23160	20.9
392.26022	20.2
393.36874	5.1
410.19080	12.8
410.27127	51.9
411.27914	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	410.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.5
55.05502	2.4
57.07069	1.9
67.05507	4.0
69.07064	4.6
71.08628	3.3
71.46548	0.8
79.05499	4.7
81.07055	6.3
82.77960	0.6
91.05489	2.6
93.07044	5.0
95.04974	7.6
95.08611	5.9
97.06528	1.6
99.08096	1.3
103.05471	2.5
105.07033	100.0
106.07362	2.7
107.08582	4.7
109.06525	10.3
109.10155	2.0
115.26662	0.7
117.07055	0.7
119.08578	1.1
120.08121	7.2
121.06496	2.4
121.10148	0.8
122.09669	46.9
131.08583	2.1
133.10152	2.9
135.08083	1.4
144.72682	0.7
145.10117	1.3
147.11722	1.7
148.07608	2.0
149.13263	1.6
163.11162	0.8
163.14809	0.8
165.12755	33.6
166.13078	2.6
173.13263	3.6
175.11180	1.5
176.10641	0.7
179.14375	0.7
190.12262	2.5
191.14326	3.7
197.24870	0.6
201.12811	2.1
204.13910	1.1
218.15398	0.8
229.19380	1.0
258.18427	3.3
271.20599	2.1
288.19617	1.4
289.21631	3.9
296.20099	1.9
312.23157	10.4
318.25043	1.9
325.09009	0.6
392.29376	2.8
410.13412	1.8
410.30493	25.4
411.15021	1.0
411.20248	1.0
411.31046	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	410.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.4
57.07078	35.3
57.77532	1.3
59.05022	1.2
67.05507	3.9
67.34933	1.0
68.99619	1.3
69.07066	4.4
69.23039	5.9
71.08633	27.1
73.06543	4.5
79.05500	2.6
81.07050	5.6
82.06640	1.0
83.05000	1.1
83.08611	3.9
85.10180	22.2
87.04480	2.7
89.06034	100.0
91.05471	4.0
93.07052	4.2
93.30318	1.1
94.07400	1.5
95.04984	5.4
95.08595	5.3
96.05312	1.8
97.06522	1.7
97.10191	3.0
99.11746	4.6
105.07022	9.8
106.07362	2.7
107.07078	2.7
107.08572	3.3
109.06544	1.5
109.10165	2.3
113.13305	1.6
117.07018	1.6
117.09166	1.4
119.08592	6.0
120.08926	3.2
121.10213	1.5
123.08090	2.3
130.08652	2.3
131.08557	1.8
132.08844	1.2
133.08609	45.4
133.10149	2.3
134.08990	1.2
135.08095	1.7
137.06001	2.9
142.07797	1.7
145.10117	3.4
146.10452	2.1
147.08054	1.4
147.11702	3.3
148.12019	1.6
149.09648	1.3
149.13228	1.4
151.09654	4.6
155.17958	3.4
157.10110	2.4
165.09119	4.9
175.11168	1.9
176.11581	1.1
177.11243	11.9
184.13298	2.0
195.12280	3.1
199.20593	2.7
204.14720	1.4
205.77457	1.2
216.22577	1.1
221.15353	3.3
222.15721	3.8
235.16510	1.6
239.14893	30.9
240.23257	1.6
243.23138	4.9
277.18097	1.3
287.25711	1.6
349.29684	1.5
392.27832	3.3
393.32120	34.9
394.32510	3.4
410.27420	5.3
411.25198	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1055
Annotation	Orlandin
Peak:m/z	Relative Intensity
62.50616	5.2
66.05069	5.4
70.57558	9.9
82.64833	5.3
89.05748	5.4
411.10461	100.0
411.19916	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	411.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11298	0.6
57.03427	0.7
59.89538	0.5
64.50394	0.8
69.03422	1.4
70.06583	1.0
71.96465	0.5
77.74040	0.6
81.03406	0.9
85.02897	1.7
87.04447	0.9
97.02887	1.0
98.22691	1.3
99.04466	0.7
110.86269	0.6
111.23539	0.7
119.04940	0.9
147.04396	6.0
147.15955	0.6
158.17674	0.7
185.04230	1.7
217.11026	1.9
232.13354	2.3
235.12047	1.6
249.07341	27.1
250.10587	1.1
250.14386	22.8
257.03427	0.6
291.36993	0.7
333.19275	0.8
350.10059	0.8
381.11490	2.9
393.10910	1.1
411.12607	100.0
412.12952	5.9
412.19635	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28807	0.4
55.92051	0.5
71.04984	1.5
85.02893	2.2
90.87476	0.5
100.71027	0.6
127.03887	0.6
129.05443	1.3
147.06517	0.6
177.05492	0.6
178.43745	0.6
185.48720	0.5
210.16544	0.5
231.91896	0.5
232.48271	0.5
249.11075	0.8
279.61609	0.6
380.94400	0.6
411.16049	100.0
412.16452	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	411.1783
Annotation	paxanthonin
Peak:m/z	Relative Intensity
56.48156	0.8
64.97625	0.8
72.43772	0.9
80.37656	1.0
100.26035	1.0
110.30697	1.1
132.26436	0.9
145.40115	0.9
249.89218	1.0
275.32040	0.9
370.19638	1.9
375.20798	3.1
411.17636	100.0
412.17773	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	411.1915
Annotation	Isobrucine N-oxide
Peak:m/z	Relative Intensity
58.42624	0.2
61.20560	0.2
63.02383	0.3
65.03954	0.5
69.43077	0.8
69.43477	0.6
72.08163	4.7
77.03962	0.3
89.03920	6.8
89.10800	2.9
89.73175	0.3
91.05484	4.6
95.04941	0.3
98.06084	0.5
98.23469	0.5
106.04188	0.3
115.08701	0.7
117.03382	22.8
118.03714	0.5
119.04946	11.9
120.05278	0.4
120.06715	0.3
126.63219	0.3
134.03625	1.4
135.04436	1.0
145.02846	58.6
146.03201	2.1
147.04405	55.9
148.04758	1.2
149.05975	7.9
150.06250	0.3
151.53429	0.3
163.03998	0.3
177.05467	100.0
178.05797	4.0
178.55231	0.3
186.05496	0.9
217.13374	0.7
218.11752	4.1
219.12181	0.3
235.14400	31.2
236.14650	1.1
247.14397	0.5
248.12807	3.0
261.12366	2.5
265.15469	24.9
266.15714	1.1
283.37659	0.3
291.13419	1.7
411.14206	0.4
411.19217	6.4
412.19620	0.5
423.41528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1916
Annotation	Isobrucine N-oxide
Peak:m/z	Relative Intensity
50.01606	0.2
51.02381	0.1
54.39863	0.1
55.05509	0.3
56.33686	0.1
57.03442	0.1
62.36087	0.1
65.03923	0.7
67.05496	0.7
71.45486	0.1
71.46671	0.1
72.08145	0.3
81.07053	0.1
84.08141	1.7
89.04047	0.1
91.05479	7.2
93.07009	0.1
101.10791	0.5
101.20087	0.1
102.09181	1.0
109.10133	0.2
111.44788	0.1
118.04156	0.1
119.04940	21.4
119.11813	1.2
120.05268	0.4
133.10156	0.2
141.82942	0.1
147.04402	100.0
148.04736	2.9
164.07069	0.4
181.98618	0.1
215.12801	0.3
218.11757	8.4
219.10104	0.2
219.12076	0.3
229.13368	0.9
230.11749	7.4
231.12086	0.3
247.14407	24.7
248.14771	1.1
265.15469	8.1
266.15732	0.4
271.15399	1.3
273.12286	0.9
289.63745	0.1
291.13327	0.3
305.08002	0.2
375.16754	0.1
380.12134	0.1
393.18069	11.5
394.18384	1.1
411.19373	2.4
412.19800	0.2
415.25824	0.1
418.55927	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	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27143	0.3
67.05500	0.4
69.43026	1.0
70.10951	0.3
85.02927	0.5
97.75977	0.3
111.81692	0.3
136.61229	0.4
145.53526	0.4
170.77722	0.3
177.15053	0.4
201.03630	0.4
203.05267	5.8
226.98584	0.3
393.19080	0.7
394.92752	0.4
411.19888	100.0
412.20270	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	411.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55600	0.5
74.34723	0.5
74.69321	0.5
77.31590	0.5
79.51892	0.6
81.07014	0.7
98.22668	1.7
100.11224	0.6
100.74157	0.6
109.90665	0.6
114.17255	0.5
133.56233	0.6
185.04227	5.8
249.14624	100.0
250.15021	4.0
346.42383	0.5
386.27258	0.5
411.19904	97.9
412.20154	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
67.05502	1.2
69.58044	4.2
80.84532	1.3
84.91233	1.2
184.07436	1.5
195.09888	1.4
241.10506	3.3
304.28012	1.2
343.99579	1.3
411.19907	100.0
412.20285	7.5
433.98755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1992
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05488	0.3
69.56723	0.5
69.57111	0.4
81.07065	0.4
83.04992	1.4
83.08607	0.5
95.08643	0.2
107.08607	0.3
125.09591	0.4
146.74635	0.3
147.04411	0.7
151.11201	1.0
167.14314	2.4
173.75027	0.2
203.05313	0.7
209.15358	1.9
231.13593	1.4
231.63835	0.2
249.14587	2.1
260.65359	0.3
316.57040	0.3
375.82318	0.3
396.77899	0.3
398.35428	0.3
411.19885	100.0
412.20255	7.5
435.32635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1993
Annotation	diflorasone
Peak:m/z	Relative Intensity
56.35682	0.4
70.62982	0.5
70.77625	0.3
71.01836	0.4
97.02850	0.4
100.11243	0.6
105.01879	0.4
107.62761	0.3
147.04428	0.8
249.11021	8.0
250.11211	0.5
264.78839	0.4
295.09818	0.8
365.38998	0.4
411.19922	100.0
412.20306	7.5
435.41162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	10.5
57.07068	8.9
67.05507	25.3
67.34869	3.4
69.07080	32.3
69.17812	3.4
69.19897	20.9
71.08644	6.0
79.05489	14.2
81.07060	67.7
83.08626	9.4
86.09713	4.0
91.05499	14.7
91.24999	3.9
93.07055	35.6
95.08619	68.5
97.10188	9.3
105.07045	61.0
106.07378	9.5
107.08588	44.0
109.10155	55.3
111.11729	6.1
117.07047	6.5
119.08594	32.1
121.10148	31.6
122.09695	6.2
123.10002	6.6
123.11714	31.2
123.59438	4.4
124.03960	10.6
131.08582	12.9
133.10161	26.1
135.11725	30.7
143.04907	5.9
145.10191	16.4
147.11703	32.5
149.13278	21.1
150.59221	3.8
151.14857	5.1
159.11745	12.1
161.13295	54.4
163.14857	23.1
165.12790	24.7
173.13310	16.1
175.14871	16.9
177.16399	12.4
179.14311	100.0
187.14870	7.8
189.16394	11.7
191.12584	5.2
191.14310	77.9
192.14711	5.7
193.15939	11.1
201.16406	10.5
205.15910	9.2
207.17511	23.3
215.18018	13.2
219.17274	4.7
222.63040	4.0
229.19507	6.7
233.19247	5.3
271.24155	39.3
289.25269	91.9
382.55756	4.4
411.14377	9.7
411.29712	8.4
411.31519	4.6
411.34402	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	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.4
55.01852	0.3
57.03418	1.2
61.02927	2.3
69.03429	5.7
70.23273	0.3
70.24861	0.8
71.01351	0.4
71.04989	0.6
73.02924	2.0
81.03420	2.2
83.01323	0.4
85.02911	6.2
86.98866	0.3
87.04458	1.7
91.03963	0.4
97.02892	3.5
99.04436	0.6
101.02347	0.5
109.02854	1.0
127.03893	1.7
145.04858	0.4
149.08315	0.6
151.07562	0.8
177.07845	2.6
188.10641	0.3
189.09071	0.4
189.11473	1.0
190.08609	2.0
191.09351	1.4
202.08673	1.1
204.10197	1.2
216.10092	0.3
217.10976	11.0
218.11604	0.8
232.11076	0.7
232.13327	11.1
233.13643	0.4
234.11188	1.4
235.12027	5.6
250.14386	100.0
251.14708	4.9
281.20151	0.3
412.19666	89.2
413.20029	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	412.2026
Annotation	Acetophenazine
Peak:m/z	Relative Intensity
55.01853	0.9
57.03437	2.9
61.02925	1.9
62.06101	0.7
69.03424	4.3
69.44971	2.8
70.06582	1.1
71.04996	1.7
73.02926	7.9
77.00112	0.6
85.02908	14.4
95.40795	0.8
97.02892	6.4
109.02930	0.6
115.03943	2.8
127.03909	3.9
129.05484	0.8
131.50587	0.7
133.04982	5.2
145.04955	6.1
163.06006	3.4
223.06021	0.8
241.07188	0.9
259.08267	1.3
263.14883	1.6
412.20227	100.0
413.21368	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	412.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.4
55.74490	0.2
56.05032	0.4
57.03428	0.5
58.06631	0.5
60.08162	7.0
60.44052	0.2
67.05503	2.7
70.05492	0.6
70.06601	0.4
71.07375	2.3
81.07072	0.3
83.08609	0.3
83.86157	0.2
86.09705	31.0
87.10019	0.5
98.98470	2.7
104.10740	4.5
109.05037	0.2
109.10159	2.3
119.08624	0.2
125.00003	21.4
155.10725	0.3
173.11723	0.5
184.07339	100.0
185.07718	1.7
194.18050	0.2
229.14404	0.7
258.10904	0.2
271.15430	0.4
332.38690	0.2
337.38834	0.2
341.85016	0.2
394.19846	0.8
412.20938	5.6
413.21576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	24.7
61.02937	10.2
61.79563	1.2
69.03432	28.5
69.07067	1.4
69.52911	1.4
69.86785	4.5
69.87144	1.4
70.06586	2.2
71.01365	2.0
71.05009	4.1
73.02921	50.5
81.03438	6.5
83.08638	3.0
85.02911	100.0
87.04476	4.1
88.06155	1.3
90.12383	1.2
91.03967	3.7
93.07128	1.3
95.08618	2.0
97.02898	51.5
99.04459	3.5
109.02887	9.4
115.03941	30.6
127.03918	30.7
129.05493	2.7
130.74707	1.3
133.04968	8.2
145.04965	56.6
146.06076	9.4
150.07693	2.5
163.06033	34.2
193.05103	1.3
200.21339	1.2
219.31859	1.1
223.05920	2.7
241.07185	4.1
259.08206	7.9
263.14856	13.7
273.76334	1.3
295.10370	4.7
327.03912	1.3
349.33392	1.4
353.12372	1.2
412.20251	66.0
413.16580	6.5
413.21506	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	412.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92650	2.3
55.01861	5.5
55.05508	3.5
57.03440	10.6
58.06591	2.3
60.08147	9.9
61.02927	9.4
67.05499	6.5
69.03432	15.7
70.06585	4.6
71.01367	4.7
71.04990	4.4
71.07377	3.5
73.02918	49.6
76.33055	2.3
79.05517	2.1
81.03419	3.6
83.08618	6.3
85.02901	52.0
86.09708	40.7
87.04469	4.7
91.05499	3.1
95.04981	3.6
97.02891	31.9
98.18179	2.3
100.11245	3.1
104.10745	54.5
107.04930	5.3
109.02895	5.0
109.10143	4.5
111.08089	2.7
115.03922	16.5
119.08556	2.1
121.06488	2.4
125.00002	24.7
127.03922	20.4
131.04901	3.4
133.04982	19.1
133.10159	2.5
145.04944	35.3
150.07704	2.5
163.06056	9.6
182.15584	2.1
184.07336	100.0
210.14867	2.5
223.06027	4.8
232.08348	2.3
236.08102	2.0
241.07083	5.5
259.08130	8.1
265.08517	3.6
277.08740	2.4
278.08960	3.0
283.44461	2.1
295.09824	4.0
296.10016	7.4
307.09796	5.0
325.10822	6.2
326.03940	2.8
394.19827	4.5
395.26575	2.4
412.20352	71.2
413.12997	2.8
413.17865	9.6
413.21576	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	412.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.6
61.02931	5.2
61.35310	2.8
67.05508	4.4
69.03440	8.3
69.07070	9.7
69.32790	2.9
70.68464	6.2
71.04996	65.9
73.02921	20.1
74.23060	3.3
75.04475	5.0
81.03429	6.1
83.04986	5.7
85.02402	6.4
85.02908	100.0
85.06528	3.5
86.09713	3.2
95.08604	5.5
97.02886	17.5
109.02898	3.8
111.08065	3.0
115.03903	7.3
115.48283	2.8
127.03917	9.6
129.05457	27.8
133.04932	9.3
138.74719	4.1
145.04973	15.0
147.06567	18.7
163.06027	8.5
184.07359	5.9
231.17438	3.3
271.15451	11.6
279.08197	3.5
287.61856	3.1
291.65692	3.5
298.02734	3.1
397.10095	3.7
412.17050	10.1
412.19864	14.4
413.21600	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
54.77028	1.4
55.01868	8.7
55.05517	2.2
57.03436	17.8
57.86867	1.3
59.05018	2.0
60.08157	2.0
60.53496	1.4
61.02934	16.7
67.05502	1.5
69.03434	34.8
69.42487	3.1
69.42889	4.6
70.68008	1.4
71.01372	3.9
71.04630	1.4
71.04997	5.5
71.52267	1.4
73.02921	89.2
73.15141	1.3
74.06059	1.6
79.05515	2.1
81.03424	7.7
81.07063	1.7
83.04951	1.7
83.08624	5.5
85.02909	100.0
86.09715	7.4
87.04472	3.3
91.03956	5.3
93.07076	2.4
95.04942	2.0
95.08645	2.1
97.02897	57.1
98.03243	1.6
99.04473	4.3
101.09684	1.8
103.03970	3.1
104.10771	1.9
107.08663	1.8
108.83426	1.4
109.02908	7.1
111.08120	3.9
115.03943	23.9
116.04233	1.7
123.04486	1.5
125.00009	4.7
127.03922	35.4
129.09163	2.2
133.04979	36.3
133.10158	1.7
139.07549	3.0
145.04973	55.5
147.04428	2.6
147.11691	1.4
150.07666	4.1
151.07550	2.1
163.06046	22.9
179.10704	1.6
184.07346	18.8
193.05006	2.0
197.11720	2.8
199.06084	2.8
210.14961	1.8
215.12839	3.3
215.16446	1.4
223.06047	5.4
227.12750	3.2
241.07100	7.7
245.13841	4.2
259.08115	13.5
263.14914	7.5
277.09064	2.7
295.10071	5.9
299.05499	2.5
299.62839	1.4
307.78323	1.5
333.42609	1.6
412.20020	5.9
413.17743	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	412.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54832	6.3
55.05507	8.0
55.14710	5.4
57.03441	11.2
67.05506	22.5
70.06599	19.6
70.62186	9.1
79.05513	10.6
81.07093	13.5
84.71631	6.2
91.05488	9.5
93.07071	10.3
95.08587	10.0
96.66145	6.4
105.07014	10.9
107.08609	11.3
109.06564	5.9
109.10172	7.8
110.96557	6.9
115.08647	15.2
119.08576	14.3
131.08574	12.2
133.10092	7.9
135.11687	7.6
173.09499	6.6
184.07372	9.5
185.13278	8.0
196.90773	7.1
203.12595	6.7
219.17447	62.7
220.17924	6.1
243.63902	5.4
275.20059	18.2
349.23737	100.0
350.24146	9.3
381.22079	8.2
412.27655	20.2
412.33887	84.5
413.34195	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	413.1416
Annotation	t(6)a
Peak:m/z	Relative Intensity
56.05031	0.7
62.98881	0.5
69.03414	0.9
69.88901	1.0
69.89281	1.1
74.06073	1.8
85.02902	1.8
98.23451	0.6
98.97552	0.5
102.05524	1.5
119.03523	2.6
120.06580	8.4
136.06180	100.0
137.04640	1.3
137.06546	1.4
147.04352	0.6
162.04106	61.1
163.04414	0.8
181.47672	0.4
210.86914	0.5
217.10883	0.7
218.11377	0.9
250.14418	2.7
251.14758	4.9
281.09915	54.3
282.10104	1.7
358.28824	0.5
374.74686	0.5
412.19623	1.1
413.13852	2.1
413.19897	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	413.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.1
54.88473	0.7
55.01871	8.0
55.05514	1.9
56.68344	0.9
57.03438	35.8
59.04997	1.4
61.02927	8.6
65.03951	1.1
65.10300	0.7
66.97240	0.7
67.05494	0.9
69.03431	94.6
70.03757	1.7
70.06586	2.2
71.01355	9.3
71.04997	6.7
73.02918	16.7
79.05498	2.4
81.03418	72.2
82.03736	0.9
83.01369	1.7
83.04980	4.4
85.02906	93.0
86.03262	0.9
87.04465	10.1
89.02402	2.1
91.03957	3.8
91.05479	27.2
93.07058	1.5
95.04972	3.8
97.02895	69.9
98.03188	1.2
99.03849	0.8
99.04459	22.0
101.02369	2.2
103.03946	10.3
103.05458	2.6
104.44496	0.8
105.04527	1.1
105.07053	7.8
107.04955	100.0
108.05296	1.6
108.66830	0.8
109.02882	13.7
111.04442	8.0
113.02395	1.1
113.93161	1.0
115.03934	27.0
115.05447	2.3
117.07022	4.3
119.04942	27.5
121.02859	4.8
121.06511	24.0
123.04433	2.4
127.03918	42.4
128.04218	1.1
128.06198	3.0
129.05487	3.0
129.06996	10.0
131.03407	4.1
131.04926	7.1
131.08600	2.5
133.04962	2.0
133.06488	24.2
134.06828	1.6
135.04399	3.2
137.05978	34.4
139.03888	1.7
141.06999	5.4
143.08577	1.9
144.05701	3.8
145.04970	23.7
145.06480	23.4
147.04407	5.4
147.08018	5.0
149.05977	13.4
151.03929	1.2
152.06158	1.1
153.05592	0.9
153.06970	2.5
155.03485	1.0
155.04855	1.1
155.06042	3.3
155.08571	1.3
157.05099	1.8
157.06482	19.3
159.04463	1.4
159.08037	5.2
161.05978	26.1
161.09486	0.8
163.03909	1.9
163.06035	2.6
163.07559	6.1
165.05589	1.3
165.06973	1.5
168.05717	1.2
168.25484	0.8
169.04965	2.4
169.06497	11.5
170.06873	1.0
171.04402	1.1
171.08046	9.2
173.04494	6.8
173.05962	55.6
174.06372	1.8
175.03813	1.0
175.07538	16.5
177.05479	2.8
178.07773	1.0
179.07089	2.1
181.06418	4.3
183.08109	2.7
184.05142	0.8
185.05962	18.9
186.06592	1.1
187.07556	9.8
189.05482	2.1
191.07089	2.6
193.06525	1.1
195.08128	1.8
197.05942	4.9
199.06004	1.3
199.07571	10.7
201.05421	3.0
201.07414	1.3
203.07027	18.0
205.08597	1.6
209.06082	2.1
211.07581	4.5
213.05530	2.3
215.07040	10.3
217.06877	4.0
217.08766	2.1
221.08034	1.1
223.07677	1.9
227.07007	14.3
229.08644	1.8
233.08066	6.2
235.07593	1.1
239.07011	3.1
241.08885	1.2
245.08066	7.6
251.07121	1.0
251.09155	24.4
253.08615	1.4
257.08179	3.1
259.08072	1.9
263.09134	12.9
269.08142	2.1
275.09052	1.1
281.07745	1.5
281.10355	2.4
287.09146	3.3
293.10449	1.3
299.09036	2.4
317.10205	5.3
320.10788	1.0
359.11163	3.0
377.12344	2.4
395.13049	1.2
413.14276	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02699	0.6
56.38303	0.5
57.50344	0.6
58.69694	0.7
68.08698	0.6
69.62531	0.8
69.62925	1.5
70.06578	0.7
77.13490	0.6
98.22649	1.0
100.21461	0.5
100.23518	0.6
111.04420	0.5
120.01824	0.6
126.19365	0.6
133.10143	0.7
137.06001	0.7
187.03662	0.6
202.05997	11.7
203.06602	1.0
206.62646	0.6
247.08676	0.7
268.21600	0.6
272.04425	1.2
296.71729	0.7
309.87262	0.6
314.08789	0.8
332.10083	1.0
358.08228	1.0
372.09448	1.0
389.10242	0.7
390.10477	2.9
405.25101	0.6
413.15717	100.0
414.15930	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	413.1938
Annotation	Bisindolylmaleimide I
Peak:m/z	Relative Intensity
55.05524	0.6
57.58591	0.4
67.05499	1.2
67.86411	0.5
69.72314	1.7
76.28229	0.5
79.05473	0.6
81.07095	0.6
88.51952	0.5
89.75332	0.4
93.07047	0.6
95.08600	0.6
227.56361	0.5
331.08347	0.6
381.18845	0.6
413.19351	100.0
414.19693	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	413.2149
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
69.03397	0.4
69.49695	1.5
71.47982	0.5
81.07036	0.6
85.02912	0.4
91.05447	1.1
93.07024	0.4
94.31347	0.5
98.23479	0.7
99.70205	0.4
105.07007	0.8
107.08576	0.7
119.08546	1.3
147.08009	1.1
167.06953	0.5
203.05170	1.2
213.74510	0.4
233.15012	1.1
246.04817	1.0
251.16188	1.3
282.31812	0.4
395.20169	2.7
413.11688	7.3
413.20987	100.0
413.24811	11.1
414.21365	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	413.2153
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
56.10473	0.9
71.86121	1.0
86.09701	1.3
107.08576	1.4
109.09192	0.9
109.10168	1.3
147.04387	1.4
160.51373	0.9
167.84361	0.9
203.05295	2.6
219.08156	1.0
233.15126	5.4
247.07655	1.3
251.12560	1.3
251.16338	2.0
273.17041	2.9
281.82501	1.1
287.59903	1.0
325.10690	1.4
413.21448	100.0
414.21997	6.9
438.35110	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05513	56.5
68.33965	37.2
69.07088	42.2
81.07060	80.2
91.05494	54.1
95.08610	90.8
97.30122	41.3
98.23495	100.0
105.07069	48.3
107.08576	62.2
132.62628	42.7
147.72157	37.0
190.02473	39.1
356.19150	53.6
413.21872	48.5
413.26761	99.4
413.32263	90.9
414.26489	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.7
55.05511	29.3
56.30236	2.7
57.03436	6.2
57.07074	12.3
59.05012	3.0
67.05508	94.8
69.03436	9.1
69.07069	47.8
71.04988	31.3
71.08646	21.1
71.46117	3.4
73.06576	6.6
77.02435	6.8
77.03948	4.2
79.05497	39.1
81.07059	96.4
83.04992	15.1
83.08619	15.2
84.08148	3.5
84.13857	4.1
85.06563	25.5
85.10179	7.0
89.06078	8.2
91.05483	100.0
93.07044	44.4
95.04973	25.4
95.08607	68.1
96.63595	3.2
97.06554	18.3
97.10168	3.8
99.04404	3.7
99.08102	7.5
101.60253	2.9
105.03403	4.2
105.04485	3.6
105.07037	68.5
107.08599	35.2
109.06522	32.1
109.10159	52.5
111.08074	6.2
113.06019	6.8
115.05450	3.0
117.07034	13.9
119.08591	41.7
121.06477	16.3
121.10168	18.1
123.08033	19.2
123.11723	15.1
125.05980	11.3
127.07520	5.4
128.06216	7.6
131.08565	6.2
133.06470	3.5
133.08624	5.1
133.10132	92.5
134.10498	3.2
135.08083	9.6
135.11711	17.3
137.05956	5.3
137.09636	9.2
137.13248	7.3
143.08557	12.8
145.10158	11.4
147.08005	3.0
147.11703	15.3
149.09627	4.9
151.11176	27.7
153.12791	10.1
155.07062	9.2
159.11722	3.8
161.09639	34.9
163.11214	9.5
165.09126	8.8
165.12724	9.2
173.13263	4.6
179.10696	4.3
179.14355	14.1
181.12273	11.5
181.62306	3.2
183.13710	7.3
184.07332	6.5
193.12245	5.8
197.15401	8.2
201.14816	3.9
208.14627	3.4
209.15327	20.7
231.15929	16.7
242.63499	3.5
271.15311	24.4
279.19583	3.4
327.09549	3.4
336.26706	5.2
347.25845	7.1
379.28433	27.2
395.33133	10.9
413.29935	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	413.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32453	1.7
53.03941	2.1
55.05513	45.1
57.03437	12.1
57.07076	40.8
58.15380	1.9
66.02937	1.5
67.05501	17.2
69.07071	59.2
71.08633	26.1
72.73941	2.0
74.11433	1.8
79.05493	7.7
79.05947	2.0
81.07060	23.5
81.66854	1.9
83.08620	35.0
85.10188	15.1
90.29918	1.9
93.07045	11.6
95.08605	24.6
97.06543	5.9
97.10162	23.9
107.08586	8.6
109.10166	12.4
111.08080	6.2
111.11722	8.4
115.07586	2.4
121.10130	10.3
123.11726	2.8
125.09653	3.9
135.11720	7.9
139.11243	5.1
149.13300	5.3
153.12778	1.9
163.14777	3.1
167.14285	1.7
174.87241	1.8
181.15910	3.2
183.71075	1.8
191.17928	2.1
199.16972	2.4
270.59232	2.0
278.13541	2.1
303.30560	5.1
321.31592	14.2
385.15228	1.9
395.35339	10.6
397.14215	2.1
398.15424	2.9
412.17090	3.1
413.17944	30.0
413.36301	100.0
414.18893	11.6
414.36584	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	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.3
55.01860	5.0
57.03437	15.6
61.02927	16.8
69.03426	28.6
69.20007	1.3
69.22488	7.4
71.01352	4.8
71.04996	2.7
73.02917	70.3
73.33768	1.3
77.01681	1.4
81.03415	5.8
85.02902	100.0
87.04469	3.5
88.58597	1.3
91.03954	5.6
93.07037	1.7
94.63657	1.7
97.02891	53.3
98.03211	2.1
98.97604	1.8
99.04453	5.0
103.03941	3.5
105.01893	3.7
107.04987	2.0
109.02867	9.0
115.03930	27.4
118.44843	1.3
119.08640	2.0
121.06489	2.4
127.03918	34.4
127.04860	1.7
133.04968	32.2
135.04420	2.7
136.62576	1.3
136.96034	1.3
145.04955	58.9
150.07602	1.6
159.02924	1.4
163.06010	26.2
167.07158	1.6
167.10629	1.4
181.05008	2.2
188.95915	1.3
193.04956	1.6
201.14630	1.3
216.76740	1.6
223.06073	4.6
231.05049	1.7
241.07036	4.6
259.08160	10.2
265.16434	5.0
274.97455	1.9
295.10129	3.7
411.11719	1.4
415.15756	4.8
415.22894	12.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01868	1.2
57.03437	24.5
60.63209	1.0
61.02926	11.0
63.17793	1.2
69.03432	30.6
69.12099	6.0
69.49294	1.0
70.06592	3.2
71.01327	3.1
71.04990	2.0
73.02918	57.3
79.05504	1.7
81.03410	4.2
81.07072	1.4
83.48254	1.0
84.04497	4.5
85.02905	100.0
86.09737	1.4
87.04454	5.0
87.79604	1.1
91.03959	3.9
91.05414	1.4
97.02894	48.5
98.97579	1.8
99.04436	3.9
102.05544	2.3
105.07074	1.2
109.02885	11.2
111.04436	4.6
115.03934	34.4
116.98598	1.3
121.10143	1.7
127.03918	29.3
129.56847	1.1
130.04965	3.2
132.06554	1.6
133.04973	15.6
139.03908	14.0
145.04962	59.9
148.06044	5.1
150.07613	4.1
161.05989	11.4
163.06024	26.8
168.56361	1.5
223.06017	4.1
235.34932	1.1
241.07159	3.1
259.08145	4.5
265.16461	3.5
274.97449	2.7
283.05988	3.3
295.10190	3.1
299.09128	14.0
309.07599	1.4
337.07025	2.5
398.15619	1.7
415.15744	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	414.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01855	0.9
55.05503	2.0
57.03172	0.9
57.03434	8.8
59.04990	0.7
61.02947	1.4
69.03432	2.4
69.35313	3.0
70.06605	1.3
71.04994	68.3
72.05292	0.6
73.02919	2.3
75.04480	4.8
81.03415	1.8
83.04981	9.0
84.08189	0.6
85.02905	100.0
86.03243	2.1
86.09701	2.1
87.04477	2.2
89.06041	1.5
95.08612	0.7
97.02891	4.2
98.22666	1.3
98.97591	1.1
99.04466	1.1
103.03974	1.0
103.27399	0.5
107.04958	1.3
108.05374	0.5
109.02897	1.2
110.06047	0.8
111.04430	5.8
114.09129	0.5
121.02916	0.5
127.03911	6.2
129.05481	46.9
130.05865	1.1
145.04956	8.9
146.08150	1.3
147.04582	1.3
147.06519	26.0
163.03914	0.7
163.06047	3.3
164.09184	7.3
165.01869	0.7
165.07617	1.6
174.03931	1.0
181.05164	0.6
184.07333	1.9
186.07951	1.0
230.06802	0.7
230.15359	0.6
251.15060	1.0
255.08565	2.6
273.09818	1.5
274.97598	2.3
283.06042	4.8
295.09674	0.6
296.10040	0.8
297.08194	0.6
307.06342	0.6
307.09702	0.9
308.09964	1.5
309.07639	1.6
309.11868	3.0
323.09216	0.9
326.10983	1.1
337.07135	2.3
349.07175	1.0
367.08102	0.8
379.08295	1.1
397.09390	1.1
401.36664	0.6
414.21945	1.1
415.10223	1.4
415.19617	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	414.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01855	0.9
55.05503	2.0
57.03172	0.9
57.03434	8.8
59.04990	0.7
61.02947	1.4
69.03432	2.4
69.35313	3.0
70.06605	1.3
71.04994	68.3
72.05292	0.6
73.02919	2.3
75.04480	4.8
81.03415	1.8
83.04981	9.0
84.08189	0.6
85.02905	100.0
86.03243	2.1
86.09701	2.1
87.04477	2.2
89.06041	1.5
95.08612	0.7
97.02891	4.2
98.22666	1.3
98.97591	1.1
99.04466	1.1
103.03974	1.0
103.27399	0.5
107.04958	1.3
108.05374	0.5
109.02897	1.2
110.06047	0.8
111.04430	5.8
114.09129	0.5
121.02916	0.5
127.03911	6.2
129.05481	46.9
130.05865	1.1
145.04956	8.9
146.08150	1.3
147.04582	1.3
147.06519	26.0
163.03914	0.7
163.06047	3.3
164.09184	7.3
165.01869	0.7
165.07617	1.6
174.03931	1.0
181.05164	0.6
184.07333	1.9
186.07951	1.0
230.06802	0.7
230.15359	0.6
251.15060	1.0
255.08565	2.6
273.09818	1.5
274.97598	2.3
283.06042	4.8
295.09674	0.6
296.10040	0.8
297.08194	0.6
307.06342	0.6
307.09702	0.9
308.09964	1.5
309.07639	1.6
309.11868	3.0
323.09216	0.9
326.10983	1.1
337.07135	2.3
349.07175	1.0
367.08102	0.8
379.08295	1.1
397.09390	1.1
401.36664	0.6
414.21945	1.1
415.10223	1.4
415.19617	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	414.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07849	1.8
67.05496	9.7
69.07088	2.7
70.20464	5.0
71.08625	9.4
79.05505	7.6
81.07056	10.5
83.08638	3.2
91.05477	14.0
93.07041	11.5
95.08608	8.8
99.08106	7.7
105.07035	4.3
107.08589	5.1
109.10173	2.5
109.52647	1.8
113.02128	5.4
117.07040	2.4
119.08584	100.0
121.10152	6.9
125.09583	1.7
133.10194	2.7
135.08058	2.6
135.11708	7.3
149.13217	3.0
151.11166	3.2
156.92117	1.8
161.13246	3.4
171.11662	2.6
179.14302	24.4
277.21661	20.9
277.32083	1.9
351.25290	76.7
352.25708	6.0
397.16934	7.2
415.19382	3.4
415.24680	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	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28503	1.2
52.79086	1.0
53.53768	1.3
55.05511	14.5
57.06859	1.0
57.07085	11.2
58.06594	1.8
67.05520	1.1
69.07074	24.4
69.25934	4.2
71.08636	7.5
81.07049	5.0
83.08619	22.1
85.10190	5.1
89.05972	1.4
91.05509	3.3
93.07040	1.5
95.08601	3.6
97.10159	15.9
99.11694	1.5
102.05555	12.3
104.07107	100.0
107.08620	1.9
108.50095	1.2
111.11710	5.5
119.08590	31.1
125.13258	3.8
163.14856	1.9
174.01094	1.2
210.27454	1.4
231.12083	1.2
275.27390	2.8
293.28418	8.2
396.34631	12.3
397.35147	2.0
414.35864	2.0
415.15387	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1366
Annotation	(+)-Epiexcelsin
Peak:m/z	Relative Intensity
56.96579	2.8
59.82850	0.7
61.18163	0.8
62.79378	1.0
69.03450	1.3
70.06583	1.8
73.02916	1.2
73.06552	4.1
73.19308	0.8
73.56731	0.6
74.06896	1.0
75.22970	0.7
76.86957	0.7
84.08141	0.9
85.02927	2.6
86.09734	2.5
95.89440	0.8
97.02904	1.4
98.05986	0.7
98.97576	5.4
100.11272	1.0
103.03982	1.2
107.04960	0.9
116.98672	3.5
133.10136	0.9
137.05998	0.7
141.01779	0.7
147.16019	0.8
149.11816	2.4
150.06677	0.9
150.12096	1.1
165.06630	2.2
167.07056	1.2
174.12839	1.0
179.25301	0.8
181.05042	2.4
183.03300	0.8
190.12349	1.2
219.01981	0.8
237.02763	1.5
245.37419	0.9
253.07526	1.7
271.08704	2.2
274.97626	3.2
289.16766	1.1
290.72009	0.9
292.98795	2.2
295.05463	0.8
305.06757	1.3
316.12872	1.7
342.17328	0.8
357.15302	0.9
371.13382	1.7
397.11853	3.7
398.19931	0.9
398.68799	0.8
415.13806	100.0
415.19687	16.9
416.14072	5.2
416.20767	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	415.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32441	0.5
53.03941	1.4
55.01861	0.6
55.05484	0.5
57.03414	0.7
57.69511	0.5
61.02911	0.7
67.05475	0.5
69.03428	1.6
69.68549	1.4
70.47066	0.5
71.05003	0.6
79.05508	3.0
81.03421	1.8
81.07061	1.9
83.05029	0.6
84.04515	0.7
84.78259	0.5
85.02915	6.0
86.09703	1.3
87.00826	1.8
91.05466	1.5
93.07066	2.9
97.02894	4.0
98.23385	0.9
98.97577	1.4
99.04456	1.1
101.37234	0.6
103.59194	0.5
105.01875	3.8
105.07029	1.2
107.04934	3.1
107.08633	1.3
109.02867	1.9
109.06502	0.5
109.10164	0.6
110.22942	0.5
116.98605	1.1
119.08595	0.9
120.42672	0.5
121.10152	3.7
124.05185	0.7
125.05983	0.7
127.03907	4.7
129.01860	0.7
131.08566	0.9
137.05945	0.6
142.02614	0.6
143.96286	0.5
145.04958	2.9
148.06068	1.5
149.09607	1.4
159.02821	0.6
162.12804	0.7
167.07066	3.9
167.10555	1.8
174.12790	0.7
181.04976	0.6
195.09921	0.7
201.00056	0.5
231.05067	1.2
249.06078	0.6
261.07483	0.5
274.97507	2.4
288.16049	0.7
292.98492	1.1
302.70688	0.6
329.15680	10.4
353.15756	1.0
371.16779	31.1
372.17178	1.7
392.03299	0.6
398.19885	0.6
415.15704	100.0
416.15897	5.9
416.20721	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	415.177
Annotation	Hymatoxin A
Peak:m/z	Relative Intensity
50.62116	0.8
55.04410	0.7
55.95230	0.6
56.18230	0.7
65.45860	0.7
66.47784	0.7
67.59619	0.7
69.03410	1.0
70.06211	1.4
70.06579	1.6
79.05481	1.7
81.07027	0.9
88.51125	0.9
91.05474	5.7
93.07049	1.3
95.08578	1.3
98.22743	1.1
98.31441	0.9
98.97565	1.1
107.08571	1.8
117.07025	1.3
119.08579	100.0
120.06945	0.8
120.08932	2.7
133.06377	1.0
133.10097	0.8
135.08002	1.4
138.03416	0.7
162.12724	1.3
174.12779	1.9
190.12254	1.2
249.16934	0.8
274.97559	1.0
288.16003	1.0
289.16788	1.5
342.16779	1.2
355.15488	5.1
373.16486	9.0
388.21130	1.1
397.16614	89.7
398.16446	5.7
415.17624	16.7
416.20798	20.7
438.19360	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33042	0.3
56.96571	0.5
67.05478	0.3
69.03439	0.4
69.07037	0.3
69.50925	1.0
69.51325	0.6
73.24355	0.3
73.37881	0.4
79.05495	0.7
81.07063	0.6
85.02927	0.5
86.73681	0.3
91.05473	0.9
95.08590	0.5
98.97585	1.4
99.04464	0.4
104.99261	0.5
105.07038	0.4
107.04978	0.9
109.10155	0.5
109.38253	0.4
116.98634	0.7
131.08583	0.6
133.10127	0.7
139.07518	0.4
147.08096	0.4
162.12814	0.6
167.07079	1.0
174.12779	0.6
177.05525	0.4
181.04926	1.8
195.06577	1.9
198.73135	0.4
203.05287	0.5
214.40884	0.4
223.05968	0.5
235.09792	0.8
253.14119	0.8
255.19579	0.3
274.97440	1.4
288.16122	0.5
289.16803	0.9
292.98682	1.0
342.16992	0.7
377.40048	0.4
383.11429	1.1
388.21115	0.4
415.19360	100.0
416.20291	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	415.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
54.55230	1.1
54.99318	1.2
55.01879	1.2
55.05515	9.5
57.03433	3.8
57.07077	4.0
67.05504	35.6
69.07072	8.9
71.04984	1.6
71.08605	1.5
71.46835	1.2
79.05496	32.4
81.07055	40.8
82.07365	1.9
83.05002	1.4
83.08627	6.1
91.05477	25.2
93.07041	42.5
93.66988	1.2
95.04984	2.7
95.08606	34.5
95.97429	1.5
97.06528	2.1
97.10149	1.8
98.98467	62.3
99.08112	2.0
103.05504	2.2
105.07027	17.1
107.08591	29.0
108.08936	2.2
109.06517	1.8
109.10162	15.4
111.08078	2.9
111.98408	1.3
117.07020	7.6
119.08578	100.0
120.08920	3.6
121.10142	23.4
121.10971	1.6
123.08050	1.6
123.11717	7.3
125.09595	1.6
131.08560	15.4
133.10149	10.6
135.08047	2.7
135.11679	20.1
137.13210	2.9
145.10138	15.1
147.11632	8.8
149.09608	2.5
149.13266	19.2
151.07567	4.0
151.11203	2.3
153.12799	2.3
155.01048	60.8
157.10094	1.3
159.11713	9.5
161.13269	5.7
163.14789	11.0
173.13268	10.6
174.12779	2.8
175.14865	1.3
177.16420	3.6
187.14845	4.8
190.12236	2.5
191.10757	1.7
201.16277	2.0
202.96866	1.4
205.15866	1.7
206.60840	1.4
233.22614	3.2
243.21056	19.8
244.21455	3.1
261.22131	62.2
262.22522	4.2
289.16858	1.8
388.21033	2.4
398.19171	2.0
415.16470	4.5
415.22409	7.2
416.20639	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33297	2.0
55.05508	8.7
57.03446	2.3
67.05507	13.6
69.03424	10.4
69.07067	9.4
69.43096	10.0
71.05013	3.0
79.05502	3.1
81.03405	9.0
81.07051	15.8
83.04988	8.7
83.08597	6.2
85.02913	11.5
85.06560	4.3
91.05439	3.2
93.07046	11.9
95.04941	3.3
95.08607	30.2
97.02885	4.6
97.10157	3.3
98.97557	13.5
99.04478	2.9
99.05107	2.5
99.08091	3.9
105.07010	4.8
107.08592	20.7
109.02893	4.8
109.06535	8.6
109.09416	5.4
109.10162	89.5
110.10491	2.2
116.98596	6.4
119.08588	33.1
121.10149	13.6
123.08064	11.9
123.11717	7.3
127.03909	5.2
133.10150	25.3
135.11699	87.1
136.12016	3.9
137.09619	17.2
145.04988	5.4
147.11697	2.4
149.13229	4.7
151.11166	10.6
151.14804	11.5
162.12813	3.2
165.16385	4.0
174.12775	6.7
175.14830	35.4
177.12750	2.4
178.64726	2.3
181.04910	2.6
187.06126	4.3
190.12198	5.3
193.15881	57.2
202.08545	2.6
205.07127	2.5
211.16928	100.0
212.17270	5.1
274.97479	15.6
288.15976	4.6
289.16760	7.2
292.98666	7.1
296.47726	2.1
299.12640	3.7
305.11697	2.3
323.89355	2.5
342.16913	5.3
398.19592	5.5
415.13443	4.6
416.20703	71.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47954	0.8
56.05040	2.2
58.06601	100.0
59.06947	1.0
62.23988	0.8
69.07072	2.1
70.33554	2.0
82.33998	0.7
86.09708	7.0
89.48321	0.8
91.05469	10.9
97.06525	1.0
98.09734	1.4
98.27839	0.8
98.97588	4.0
114.09198	1.5
115.05477	1.4
115.08697	3.0
116.98635	1.7
119.08598	0.8
130.06500	2.4
131.07318	1.2
132.08098	22.2
133.08411	0.8
134.33786	0.8
143.08214	1.5
144.08044	1.5
146.09647	5.4
148.74673	0.9
158.09599	0.9
159.09190	0.9
160.07578	0.9
162.12746	1.0
171.09198	2.0
171.14922	14.8
173.10851	1.0
174.12701	2.0
188.07024	2.1
188.11867	2.3
189.10217	12.3
199.14430	12.2
200.11949	1.5
207.92256	0.9
210.16037	3.1
217.09726	8.9
231.75412	1.2
238.15524	8.0
239.15550	1.5
254.08138	2.5
256.18073	21.3
257.18427	1.5
274.97452	4.3
284.17508	3.0
288.15826	1.8
289.16620	2.6
292.98849	2.2
301.15540	1.8
302.15036	12.8
312.17062	31.8
313.17606	2.1
327.16998	1.7
330.18088	7.8
331.18314	1.0
342.17050	1.6
346.36395	1.0
358.21271	7.9
359.21408	1.1
388.21518	0.9
397.22546	0.9
398.19440	1.6
415.23386	18.6
416.14941	0.8
416.20532	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	415.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28328	1.1
55.01896	1.3
55.05507	3.6
56.96549	1.2
57.03431	2.4
57.07071	2.4
65.02786	1.1
67.05509	15.1
69.07072	3.4
70.06599	2.2
70.36899	1.9
70.37209	1.4
71.04983	2.3
71.08667	1.1
78.76109	1.1
79.05495	11.7
81.07071	14.5
85.06545	1.3
91.05475	12.5
93.07048	13.9
95.04951	1.3
95.08614	10.7
98.98475	21.8
99.08083	1.1
100.79907	1.2
105.07030	5.9
107.08603	10.6
109.10155	7.1
113.02135	100.0
115.08691	1.5
116.98646	1.5
117.07004	3.5
119.08590	85.9
120.08873	2.1
121.10157	9.4
123.11716	3.5
131.08595	5.6
133.10144	3.8
135.08067	1.4
135.11678	7.5
145.10130	4.8
147.11679	3.1
149.13257	7.6
155.01047	22.3
159.11691	3.7
161.13251	4.3
162.12750	2.8
163.14874	3.4
166.10530	1.2
173.13310	4.2
174.12854	3.1
177.16386	1.9
184.07402	1.9
186.12888	1.2
187.14807	2.6
190.12189	2.7
243.21158	7.5
261.19537	2.0
261.22137	24.8
262.22684	1.7
265.53781	1.5
272.16592	1.3
288.15970	1.4
289.16727	3.6
305.40164	1.1
321.81015	1.2
325.21396	38.0
326.21649	2.7
333.17352	1.9
333.79947	1.1
342.16888	2.5
355.15509	5.9
357.13742	1.6
361.13055	1.5
366.24054	4.5
373.16528	3.7
388.21149	1.5
397.88113	1.4
398.19446	3.3
415.17722	12.6
415.24460	54.9
416.20700	46.9
416.25211	2.8
432.68875	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	0.2
59.04978	0.4
61.37807	0.2
67.90183	0.2
70.06583	0.6
72.08153	0.5
73.02921	0.3
73.06551	1.5
86.09708	1.5
87.04465	6.6
89.06024	100.0
90.06354	1.5
91.07574	0.8
98.97580	1.1
107.04944	0.3
107.07071	2.0
116.07106	0.5
116.98647	0.5
117.09128	0.6
130.08623	1.0
131.07018	1.9
133.08595	56.0
134.08849	1.1
145.08923	0.2
146.06001	0.3
147.04303	0.4
151.09683	0.4
159.11311	0.3
162.12817	0.3
174.12744	0.6
175.09686	0.7
177.11211	13.9
178.11482	0.4
187.10747	0.4
190.12254	0.4
195.12238	0.6
221.13773	1.8
239.14807	0.8
260.16254	0.3
271.09442	0.3
274.97488	1.4
283.17465	0.8
288.15958	0.5
289.16595	0.5
292.98447	0.7
299.09143	0.3
301.06061	0.4
327.20309	0.6
342.16986	0.4
371.22647	1.0
379.07336	0.3
398.19388	0.4
415.10110	0.3
415.14639	1.9
415.19449	1.1
415.24646	2.7
416.15204	0.4
416.20679	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	416.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
60.04507	0.3
65.13890	0.2
67.55167	0.3
69.03456	0.3
70.06590	1.0
70.63119	0.5
72.08149	1.3
73.91442	0.3
79.05486	3.0
81.03439	0.4
85.02898	0.7
86.09710	2.5
87.00842	0.4
89.06033	3.9
90.06361	0.7
91.05463	0.5
95.05002	0.6
97.02906	0.6
98.22793	0.3
99.04452	0.3
103.05460	2.2
104.68843	0.3
105.01893	0.7
105.07030	26.5
106.07359	0.8
107.04957	1.0
110.07156	0.4
115.05460	1.1
116.07066	0.3
120.08109	0.3
127.03895	0.9
131.04965	0.6
133.06485	100.0
134.06830	3.5
134.08925	0.6
135.04398	0.3
135.08015	0.3
136.06166	0.5
136.07599	0.8
145.04921	0.7
162.12773	0.7
174.12775	1.0
175.13600	0.4
177.11295	0.3
190.12262	0.6
200.10551	0.4
220.00635	0.4
223.10750	0.5
231.05075	0.4
238.01553	0.7
242.15741	0.3
246.14545	0.3
254.08083	3.0
254.17494	0.5
272.16446	0.4
284.09680	0.6
288.15976	0.7
289.02798	0.5
289.16656	1.5
302.31693	0.3
303.04236	0.7
342.17209	0.5
375.02463	0.4
388.21158	0.7
398.19501	1.2
416.20609	11.4
416.29123	0.6
417.20874	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	10.2
55.01868	3.3
55.05493	2.4
57.03438	4.4
61.02917	4.6
67.05487	1.8
67.38328	1.3
69.03432	31.8
70.06603	1.6
71.04993	3.4
72.94121	1.4
73.00776	1.5
73.02911	3.8
73.46323	1.2
79.05474	1.8
80.05008	2.9
81.03419	43.2
83.01350	2.4
85.02395	3.0
85.02903	38.4
87.04493	1.8
91.05466	2.2
95.04948	2.2
97.02893	18.2
98.06078	1.8
98.97604	1.6
99.04448	10.7
99.31118	1.4
100.11267	2.5
103.03964	2.1
103.05468	4.4
105.07055	4.8
107.04948	6.0
108.04469	20.9
109.02877	40.8
109.10172	1.7
111.04459	1.8
117.06998	1.5
126.05521	6.4
127.03913	47.4
133.10130	6.3
135.08040	5.9
136.11244	1.9
139.03889	2.9
145.04965	9.6
154.06241	24.8
154.12317	1.8
162.12801	7.1
163.07518	17.6
164.10631	1.8
167.07042	5.6
169.04976	5.2
174.12779	9.6
181.04958	3.7
182.15396	1.9
186.07576	1.8
186.12842	1.4
187.06018	34.3
187.07565	3.0
190.12312	5.9
195.10162	68.4
196.10495	3.0
200.10767	3.4
202.12253	1.8
204.08682	8.1
205.07050	25.2
205.08759	2.3
216.13881	1.7
221.08163	1.3
227.28444	1.5
242.15396	1.5
272.16464	2.9
273.23700	1.4
285.11328	1.6
286.14371	1.2
288.15964	6.4
289.16663	8.9
298.89539	1.4
302.14059	1.6
342.16815	6.4
344.40964	1.6
372.21906	1.6
388.21240	6.0
398.19525	6.7
416.20688	100.0
417.16119	2.2
417.21042	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	416.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.3
55.05504	0.4
65.03930	0.3
67.05504	0.3
69.03420	0.4
70.08031	0.4
70.08366	0.5
78.04742	0.2
79.05492	0.9
81.03411	0.5
81.07061	0.3
85.02905	0.8
91.05477	3.0
93.07060	1.4
95.04980	0.4
97.02888	0.4
99.04446	0.7
103.05473	0.6
104.07055	0.2
105.07034	12.7
106.07364	0.3
107.04924	0.2
107.08572	0.2
109.02855	0.2
115.05441	0.5
117.07010	0.7
118.07799	0.8
120.08120	0.2
127.03890	0.4
131.04947	0.3
131.08557	1.7
133.10130	100.0
134.09605	0.4
134.10464	3.0
136.11227	0.6
145.06514	0.4
145.10144	0.2
147.11679	0.5
148.05205	0.3
150.12779	0.4
162.12807	1.0
163.07559	0.4
167.07034	2.5
172.11215	0.3
173.05891	0.4
173.13261	0.2
174.12779	1.3
175.11142	0.3
175.13600	0.2
176.10684	0.3
181.04945	1.5
186.12872	0.3
187.11200	0.4
190.12302	1.4
191.07076	1.4
199.11058	0.3
200.10785	0.3
213.12575	0.2
214.12245	0.2
216.14011	0.3
217.08379	0.2
233.08221	0.2
240.13889	0.2
241.12134	0.3
260.16367	0.4
270.14737	0.3
272.16516	0.5
273.17114	0.5
277.85876	0.2
288.15851	1.1
289.16702	1.7
290.17542	0.2
310.14233	0.2
342.16965	1.0
378.67709	0.2
388.21103	0.7
398.19733	1.5
416.20679	17.0
417.15485	1.0
417.21042	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06327	0.3
58.99865	0.3
69.07057	0.9
70.06570	1.0
72.08146	0.5
74.69613	0.3
74.78667	0.3
77.00893	0.6
80.17215	0.3
80.43506	0.3
84.08144	0.5
86.09706	27.4
89.03918	0.4
93.07016	0.4
97.06530	0.7
98.97572	1.0
116.98618	0.4
121.06505	6.9
124.06093	0.3
126.07654	0.5
130.03493	0.6
131.01888	0.9
132.10175	1.2
135.04433	0.6
138.09137	2.3
142.07121	4.0
144.08702	3.6
149.03004	0.4
154.07080	2.6
155.05496	0.4
160.08188	5.6
162.09734	4.2
162.12747	0.4
163.03908	2.2
172.08189	22.3
173.06606	1.6
173.08330	1.0
174.09778	1.0
174.12773	0.5
177.00923	0.8
189.10851	0.5
190.09242	3.6
190.12160	0.7
191.07675	1.8
198.09769	0.3
199.09296	0.5
201.00937	1.8
202.09200	0.3
207.11911	0.9
208.10281	2.1
213.01042	0.6
219.02011	2.2
219.05080	0.3
221.15108	0.5
226.09175	0.4
227.16011	0.4
231.01990	1.1
239.15999	3.0
240.14287	2.7
241.17459	0.5
242.15967	0.5
243.02058	0.5
244.10318	0.7
248.05644	0.4
255.01924	0.9
255.15601	1.2
257.17075	7.1
258.15344	1.7
261.02991	0.5
267.15384	2.8
268.13916	1.1
273.16595	1.6
274.97406	0.4
275.18161	6.8
276.08978	0.4
276.18500	0.4
284.08289	0.4
285.16577	25.0
286.14941	1.3
286.17133	0.8
288.15866	0.4
289.16611	0.5
296.08328	0.9
303.17642	100.0
304.17862	7.1
307.83783	0.4
308.18393	0.4
314.05759	0.5
314.09341	3.2
315.09586	0.5
321.18671	7.6
322.19073	0.6
326.09338	0.5
326.19272	1.8
332.10464	2.7
333.10474	0.5
342.17093	0.4
344.10382	0.7
345.10220	0.4
356.10410	1.0
368.10556	0.4
374.11215	0.4
388.21277	0.5
403.17651	0.5
416.20694	6.7
416.26065	3.1
417.20914	0.6
424.97971	0.4
434.04956	0.5
434.13174	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.3
55.05505	2.3
57.03434	2.0
67.05495	2.5
69.07076	1.6
70.06582	0.8
70.31488	1.2
71.04980	0.8
79.05482	2.6
80.05030	0.8
81.07053	3.4
82.06570	0.6
83.04984	4.4
83.08612	1.7
91.00888	0.6
91.05478	3.3
92.77135	0.7
93.07047	3.5
95.04961	1.3
95.08614	2.8
96.63012	0.6
97.06557	0.9
98.06126	0.7
98.97596	1.0
99.04468	1.7
100.11253	1.8
105.07023	2.3
107.04947	1.0
107.08602	2.2
109.06557	1.4
109.10155	1.1
117.07060	1.5
119.08575	2.7
119.90231	0.7
121.06507	1.7
121.10163	1.0
122.09680	0.8
123.04459	0.9
123.08102	1.2
124.18401	0.6
125.09569	0.8
129.07025	1.6
131.08572	1.7
133.06509	2.2
133.10172	0.7
134.09631	3.2
135.08047	2.6
136.11255	2.2
137.05998	0.9
137.09656	1.8
143.08524	1.1
145.10130	2.2
147.08025	0.8
147.11699	0.9
148.11145	1.2
149.09633	1.5
157.19206	0.7
158.09604	1.0
159.08118	1.5
161.09647	1.0
162.09125	0.9
162.12769	7.1
164.10721	1.7
167.07072	4.1
167.08357	0.6
168.13817	1.2
172.11238	1.4
173.09723	0.8
173.13287	1.3
174.12750	7.2
175.13528	1.8
176.10716	1.0
181.04961	1.2
186.12767	1.3
188.10756	1.0
190.12277	9.2
191.12793	1.0
200.10699	2.5
202.12190	1.3
210.14981	1.2
214.12305	1.0
215.14267	0.9
216.13889	1.8
233.15417	4.8
234.15149	1.0
240.13928	1.1
242.15430	1.5
243.17494	0.7
249.11075	0.7
251.16606	1.0
256.13419	1.1
258.14960	1.0
260.16486	1.2
261.18753	1.3
266.15631	0.7
270.14917	2.0
271.17166	1.2
272.16434	2.3
273.17340	2.1
274.14539	0.9
274.18039	1.9
276.56390	0.7
284.12845	1.5
288.15933	6.8
289.17889	13.8
290.17401	1.1
300.16049	1.5
307.19080	2.0
318.17264	1.3
340.19016	1.1
342.16959	6.6
363.21582	3.1
370.20245	1.5
372.21606	1.1
381.22736	9.2
384.18066	0.8
388.21143	4.4
398.19553	7.9
399.19876	0.8
416.20688	100.0
417.15665	1.2
417.20789	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	416.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.4
55.05513	8.5
57.03433	6.6
63.09403	1.4
65.03938	1.2
67.05510	10.1
67.94592	1.2
69.03424	2.6
69.07068	2.7
69.09485	9.7
71.04995	3.9
79.05495	8.1
81.03408	3.3
81.07057	9.0
83.04987	2.8
83.08630	2.1
87.78864	1.4
91.05466	8.0
93.07045	9.1
95.04977	4.7
95.08589	2.7
97.06532	9.9
97.10165	4.0
97.82907	1.3
99.04456	2.9
103.88567	1.1
105.07021	5.8
107.04971	4.1
107.08630	6.7
109.05840	1.2
109.06522	5.7
109.10173	4.4
111.04510	1.5
111.08121	2.2
113.05979	1.3
117.07006	1.6
119.08582	3.8
121.02863	2.8
121.06514	16.1
121.10143	2.8
123.04477	1.4
123.08062	3.2
125.06052	1.5
125.09649	2.7
129.07004	2.0
131.08575	3.9
133.10147	5.0
134.09659	2.8
135.08057	4.3
135.11716	1.7
136.11269	2.3
145.10141	3.4
147.10544	1.2
147.11659	2.5
149.09669	2.7
151.07599	1.6
151.11214	1.9
156.79198	1.1
159.08051	6.2
161.09645	1.7
162.12823	5.5
163.07593	2.1
163.11249	1.3
172.11147	1.6
174.12776	7.5
175.11113	1.7
175.13478	1.7
178.50455	1.2
178.89192	1.2
185.09682	1.3
189.11241	1.9
190.12302	5.7
193.12288	2.4
200.10727	2.5
200.14305	1.5
230.15778	1.4
233.15363	3.4
245.14012	1.9
249.14996	1.4
267.16016	1.7
270.14871	3.1
271.16974	3.2
272.16318	1.7
273.17310	2.5
288.16000	5.6
289.17587	9.3
342.16937	6.0
363.21603	4.7
381.22510	6.4
388.21320	4.7
398.19586	5.5
416.20682	100.0
417.21094	8.0
428.60944	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80986	0.7
55.01871	2.4
55.05506	3.5
57.03439	1.3
58.27740	0.7
67.05501	3.3
69.03449	1.6
69.07079	4.6
69.66430	3.7
70.73542	0.9
71.05000	1.2
71.08631	3.1
79.05489	2.9
79.51882	0.9
80.05015	0.8
80.91825	0.7
81.03407	1.1
81.07056	5.3
83.04951	0.8
83.08617	1.9
85.59272	0.9
91.05482	4.6
93.07043	2.6
95.04994	2.0
95.08601	3.5
97.10169	2.0
98.23415	1.0
98.97608	1.6
99.04436	1.4
99.08077	2.7
105.07050	2.7
107.04966	1.2
107.08591	2.3
107.96715	1.0
109.10175	1.7
117.07041	1.9
119.08588	34.4
120.08076	1.4
120.08906	17.0
121.06506	1.3
121.10154	1.2
122.09597	0.9
123.11668	0.8
131.08562	1.6
132.08112	1.0
133.10117	0.9
134.09636	2.2
135.08080	1.3
136.11230	2.7
143.08490	1.0
147.11595	1.0
149.09607	1.0
159.11673	1.0
161.09627	1.5
162.12749	9.0
164.10783	1.4
172.11264	1.3
173.11815	1.0
174.12779	7.7
175.13484	2.3
176.10680	1.0
184.07330	0.9
186.12756	1.5
190.12262	7.6
193.12282	1.0
195.13821	0.8
196.63560	0.8
200.10785	2.3
202.12192	1.0
216.13969	1.1
227.12805	1.0
235.24205	1.0
242.15414	1.1
256.13333	1.4
258.14905	2.0
260.16568	1.1
270.14865	1.5
272.16525	2.2
273.17218	1.6
274.14703	0.8
274.17734	0.9
275.20087	2.9
275.97894	1.0
288.16006	6.5
289.16730	9.5
293.21091	27.3
294.21414	1.9
296.12769	0.9
300.16061	1.2
310.14618	0.9
342.17029	6.6
353.17169	1.2
356.18311	1.0
358.88959	0.9
367.24808	13.5
368.25406	0.9
388.21155	3.8
398.19638	7.0
399.20596	0.9
416.20682	100.0
417.20993	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	417.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01622	0.5
55.01873	8.4
55.05513	1.0
58.99574	1.3
65.03936	1.3
67.05492	0.7
68.27467	0.3
69.03437	0.5
70.06587	2.1
70.62213	0.7
72.08144	0.5
73.02927	0.4
78.04707	0.6
79.05486	0.8
81.03421	0.6
81.07055	0.6
83.04957	0.5
83.08614	1.1
85.01114	0.5
85.02900	1.3
86.09709	0.6
86.99026	0.8
87.00802	0.9
91.05479	1.0
93.03409	0.7
93.07047	0.8
95.04957	1.9
95.08610	0.6
97.01105	1.1
97.06496	0.4
99.04475	0.5
100.11250	2.7
103.02150	0.5
105.00136	0.6
105.04520	0.4
107.04935	1.2
109.02856	0.7
111.02685	0.5
111.04435	1.6
115.05409	1.0
117.07004	1.2
123.04460	3.6
123.11651	0.4
123.99841	0.6
124.05219	1.8
125.00541	0.5
125.06006	0.7
127.03922	0.4
131.01593	0.8
131.04918	0.4
131.08228	0.6
138.03122	1.2
138.06734	0.7
139.02139	1.3
139.03888	4.6
140.04684	6.3
142.00827	0.9
145.06477	1.5
147.04424	0.4
149.02615	0.6
149.18021	0.4
151.11168	0.7
152.04691	0.4
152.80142	0.4
153.00020	0.9
153.04211	0.8
153.05461	15.2
155.06017	0.4
155.07043	6.2
157.03183	1.0
163.11067	0.4
167.01610	1.4
167.07043	18.9
168.99564	2.0
169.12265	0.4
170.00313	2.4
171.04807	0.4
171.06470	1.0
173.06000	3.1
177.02190	0.6
177.05453	0.5
181.04968	7.0
182.15421	2.1
183.01175	0.6
184.01894	31.0
185.02681	44.3
186.02986	1.4
190.12167	0.5
199.04242	37.8
200.04572	1.5
201.05450	0.5
205.08632	1.1
208.07321	0.7
209.02638	0.9
209.08041	1.3
210.14833	1.9
213.05833	0.4
233.08089	2.5
235.09779	0.4
241.05292	100.0
242.05627	4.3
280.10876	0.4
289.16467	0.5
290.17050	0.5
307.09735	0.4
331.08344	0.5
334.48328	0.4
343.17450	0.6
386.48361	0.4
387.14362	2.5
399.14630	0.8
399.19962	0.8
399.24701	2.9
416.20795	2.4
417.15463	9.3
417.20996	10.4
417.32690	0.5
418.15689	0.9
418.22058	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52322	0.2
51.66904	0.2
53.03936	0.3
54.15485	0.2
55.01859	0.3
55.34597	0.2
57.13324	0.2
65.03934	1.3
67.05477	0.4
77.03918	0.3
78.04312	0.3
78.04717	2.6
79.05490	1.4
81.03420	0.4
81.07040	0.4
82.04185	0.3
82.79161	0.2
85.02882	0.9
91.05478	0.9
93.03394	0.4
93.07017	0.2
94.04179	0.2
95.04961	1.0
96.05754	0.3
97.06496	0.5
98.23560	0.4
99.74140	0.2
103.05465	0.6
105.03400	0.2
106.04171	2.3
107.04974	1.7
108.02092	0.3
109.06494	0.2
110.03664	1.0
111.04456	0.2
111.08113	0.2
115.05453	3.3
117.07020	5.8
119.08576	0.3
122.03631	0.5
123.04434	8.4
124.05231	2.9
125.05985	0.6
127.05426	1.2
128.06245	0.2
134.03639	0.7
137.05988	0.5
138.03110	0.5
142.02660	0.2
143.04924	0.4
144.05664	0.5
145.06487	9.3
146.06783	0.4
147.08046	0.5
151.03954	1.3
152.04671	2.5
153.05461	1.3
155.04948	0.2
155.06039	4.3
160.05203	0.2
167.07040	100.0
168.07382	3.0
171.06508	1.5
173.05991	16.5
174.06430	0.4
175.07524	0.6
181.04961	20.7
182.05304	0.6
190.06378	0.3
191.07010	0.7
201.05473	0.7
205.08609	4.0
207.10190	0.3
233.08087	7.2
235.09659	3.1
236.10139	0.2
321.17957	0.2
387.14374	12.2
388.14850	0.9
399.14383	0.3
417.15485	30.3
417.20801	2.2
418.15903	2.3
418.21667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1546
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01868	0.8
65.03936	1.2
65.68823	0.6
67.05507	1.1
69.03417	0.7
70.61791	1.0
70.62116	0.7
78.04704	2.1
79.05482	1.6
81.03466	0.8
82.25579	0.6
85.02875	1.5
86.09702	2.8
91.05445	1.2
93.03426	0.8
95.04964	1.6
97.06502	0.9
103.05441	0.6
103.09881	0.6
105.06972	0.8
106.04150	1.1
107.04951	0.9
110.03687	0.6
115.05457	3.5
117.07018	5.1
123.04437	6.8
124.05202	1.3
125.05993	0.8
127.05428	1.4
139.03954	0.7
145.06494	8.3
151.03915	1.1
152.04704	1.9
153.05470	1.2
155.06053	5.3
161.09683	0.8
162.05577	0.7
167.07037	100.0
168.07378	3.1
171.06494	1.3
173.05980	14.0
175.07574	0.7
181.04942	18.9
205.08565	2.6
211.79277	0.7
233.08098	6.8
235.09651	3.5
256.09662	6.0
289.16483	0.8
343.17285	1.2
387.14368	13.9
388.14633	1.1
417.15311	36.2
417.20950	8.2
418.15506	2.3
418.21399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
55.01870	0.6
55.05515	0.4
61.42799	0.3
65.03944	1.0
66.04733	0.3
67.05500	0.6
69.03427	0.5
77.03918	0.3
78.04707	2.6
79.05486	0.9
81.03413	0.5
81.07066	0.7
81.66161	0.2
82.04199	0.3
83.85698	0.2
85.02913	1.0
86.09690	2.8
91.05473	1.1
95.04969	1.3
97.02963	0.3
97.06551	0.5
98.23544	0.4
99.04494	0.3
103.05467	0.5
105.03403	0.3
105.04482	0.3
105.07027	0.3
106.04173	1.6
107.04966	1.6
107.08554	0.3
110.03663	0.6
115.05439	2.8
117.07010	5.3
122.03639	0.6
123.04419	6.6
124.05237	2.3
125.05975	0.4
127.05461	0.9
129.06985	0.3
131.04881	0.3
134.03590	0.7
135.04419	0.3
137.05986	0.5
137.09630	0.4
138.03105	0.5
143.11807	0.4
144.05661	0.5
145.06473	7.8
146.06816	0.4
147.08069	0.5
149.02248	0.3
149.09602	0.3
151.03905	1.1
152.04663	1.9
153.05397	1.2
155.04785	0.3
155.06026	4.2
155.07207	0.4
167.07022	100.0
168.07359	2.8
171.06514	1.0
173.05971	14.5
174.06410	0.7
175.07503	0.3
181.04939	18.8
182.05237	0.8
189.12694	0.5
201.05470	0.8
205.06865	0.4
205.08591	3.0
212.95210	0.3
221.07959	0.3
225.14705	0.5
233.08054	6.8
234.08403	0.4
235.07605	0.4
235.09659	3.5
247.12852	0.3
256.09561	0.8
285.12823	0.4
290.16843	0.3
349.52728	0.3
370.65729	0.3
387.14343	14.3
388.14764	1.2
399.19821	0.7
417.15549	36.2
417.27863	1.9
418.15842	3.1
418.22000	0.4
418.28162	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58704	0.5
67.55402	0.4
69.34451	2.7
70.06586	1.0
72.08144	1.7
86.09709	3.7
98.23454	1.1
99.04412	0.5
109.72688	0.5
116.41822	0.5
121.19505	0.4
173.80655	0.5
175.13120	1.3
190.12285	0.7
191.12677	0.8
222.44775	0.5
252.20363	0.5
271.11609	2.3
273.16702	0.5
274.97440	0.6
289.16315	1.4
290.16888	0.9
332.41653	0.5
343.17255	1.1
347.09473	0.8
349.10989	1.1
399.19647	0.9
417.17050	100.0
418.17142	3.7
418.22406	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	417.1928
Annotation	Epigomisin O
Peak:m/z	Relative Intensity
56.96581	1.3
67.05513	1.8
68.11590	1.0
69.07091	1.6
69.84618	1.9
69.84975	1.8
70.06602	1.0
79.63997	1.0
81.07056	2.2
88.07639	2.1
93.07053	1.1
94.17242	0.9
95.08634	2.0
98.22823	1.4
98.98479	1.9
103.97803	0.9
109.10159	1.5
111.08197	0.9
119.08608	2.0
120.72028	1.0
133.10158	1.0
155.01154	1.5
163.26288	0.9
191.12610	1.2
263.23260	1.1
274.17389	1.2
289.16376	2.5
290.17233	1.3
317.17859	1.4
335.19067	8.4
343.17676	1.1
353.20117	1.2
358.21024	1.6
375.18518	2.1
399.18210	100.0
400.18573	8.3
416.37234	2.1
417.20740	35.1
417.26453	1.2
418.22525	5.7
418.39102	1.8
440.21149	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	417.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	0.5
61.54257	0.4
62.22536	0.4
69.06463	0.4
70.06591	0.5
71.07644	0.6
71.50995	0.5
72.08150	1.0
83.76971	0.4
85.02934	0.6
86.09686	1.4
96.41743	0.4
98.97586	0.7
107.58934	0.4
111.12412	0.4
119.08663	0.6
120.81577	0.5
121.53212	0.4
156.25754	0.5
162.05478	0.4
163.13145	0.6
181.04897	0.5
191.03015	0.5
237.02661	0.6
249.15738	100.0
250.16112	5.7
254.08195	0.4
256.09729	4.0
289.16330	0.6
343.17123	0.5
347.34973	0.4
399.19937	0.9
417.12921	0.8
417.14920	0.9
417.21085	9.7
418.16534	2.8
418.22128	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2098
Annotation	Spironolactone
Peak:m/z	Relative Intensity
53.91883	0.5
55.05515	0.6
58.50723	0.5
67.05495	0.8
69.03402	0.8
69.07053	1.2
78.04706	0.5
79.05499	1.3
81.07053	0.8
81.26223	0.6
81.54854	0.5
85.02914	0.7
89.33810	0.5
91.05467	0.7
93.07062	1.0
95.05025	0.6
95.08624	0.8
102.79904	0.6
103.05451	1.3
105.07026	0.9
107.04929	0.9
107.08578	0.7
109.10181	0.8
115.05454	0.7
117.07024	1.3
123.04426	1.3
127.03661	4.4
145.06496	1.7
145.10069	0.5
148.05125	0.7
153.05479	0.7
155.06046	0.6
162.12767	0.6
163.07561	1.2
167.07036	16.0
171.72067	0.7
173.05954	3.1
181.04973	6.6
182.05257	0.8
185.04214	2.5
190.12251	0.8
191.07013	3.0
201.10858	0.5
205.08614	0.8
233.08118	1.2
256.09650	0.9
269.18878	0.6
289.08920	28.5
289.65045	0.6
290.16959	1.2
331.85156	0.7
343.17349	0.7
387.14487	1.9
417.15948	4.8
417.20929	100.0
418.16202	1.0
418.21411	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	417.2098
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
50.58790	1.2
53.13964	1.1
65.03927	1.2
67.05489	1.8
69.03426	2.0
69.07038	1.7
76.48849	1.1
78.04697	1.1
79.05480	2.2
81.03389	1.4
81.07032	1.5
84.08138	1.7
85.02885	1.8
91.05450	2.3
95.04945	1.3
95.08567	1.8
97.06505	1.2
103.05457	3.5
105.07011	3.2
107.04941	2.1
107.08604	2.5
109.10169	1.1
117.07000	3.6
118.04153	1.3
121.10141	1.9
123.04468	2.1
124.05208	1.6
127.03689	2.9
131.04942	2.9
145.06480	4.1
153.05460	1.3
155.06035	1.3
163.07545	2.2
167.07050	36.6
168.07359	1.4
171.06476	1.9
173.05957	5.2
175.13034	1.4
177.05438	1.0
181.04947	22.0
191.07040	7.7
191.12715	1.4
204.71292	1.1
205.08450	1.3
233.08104	2.6
256.09647	2.3
273.16217	1.2
289.08951	26.1
290.17172	1.4
323.63467	1.2
329.24298	1.1
343.17075	2.7
387.09866	1.4
387.14377	5.0
399.19543	2.3
417.15442	14.2
417.20886	100.0
418.21704	9.7
429.90790	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	1.1
54.69056	0.6
55.01856	0.6
55.05515	8.8
57.03439	6.7
57.07081	5.3
64.88409	0.6
65.03936	1.3
67.05507	50.2
68.05846	0.8
69.07072	11.9
69.45715	1.8
71.05001	1.1
71.08636	2.9
79.05499	14.7
81.03434	1.2
81.07059	58.2
82.07398	1.7
83.08619	8.7
85.06569	0.9
85.10178	1.5
91.05485	11.5
93.07050	16.1
95.04964	2.6
95.08611	50.0
96.08938	1.3
97.06529	3.5
97.10167	3.9
98.98470	78.3
99.08100	3.2
105.07034	7.9
107.08596	10.3
109.06551	1.3
109.10165	23.8
110.10537	0.9
111.08073	3.1
111.11755	1.1
113.09634	2.1
116.99543	1.3
119.08590	8.9
120.08935	0.8
121.10148	10.1
123.11709	11.4
124.12093	0.7
125.09621	1.2
127.11211	1.5
133.10130	8.3
135.11708	7.3
137.09630	1.6
137.13258	7.2
139.11276	0.6
141.12769	0.8
141.84204	0.5
147.11708	5.0
149.13274	6.7
151.11119	0.7
151.14833	6.5
153.12772	0.7
155.01047	100.0
155.14337	0.8
156.01353	1.1
161.13289	4.6
163.14827	5.8
165.16425	3.7
167.14333	1.3
173.02196	0.9
175.13266	1.0
175.14841	4.5
177.16389	1.1
179.17984	1.3
189.16415	2.9
190.12312	0.6
191.12462	0.6
192.18144	0.5
196.03770	1.0
203.17946	0.7
217.19612	0.8
245.22664	21.0
246.22975	1.4
263.23715	45.8
264.24124	3.1
289.16385	0.6
290.17303	0.8
294.84204	0.6
417.21228	8.7
418.21796	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18088	0.4
53.03942	1.0
54.42883	0.4
55.01855	0.7
55.05513	9.7
57.03436	7.0
57.07074	5.7
58.67257	0.5
65.03935	1.2
67.05505	52.6
68.05849	1.0
69.03436	0.5
69.07069	13.1
69.46671	0.5
70.65067	0.5
70.65382	0.6
71.04996	1.4
71.08640	3.3
79.05495	16.6
81.03425	1.6
81.07058	61.6
82.07400	1.3
83.04976	1.5
83.08620	9.0
83.87971	0.5
85.06558	1.7
85.10170	0.9
91.05480	10.5
92.05833	0.6
93.07045	17.1
94.07387	0.6
95.04966	2.2
95.08607	53.8
96.08941	1.3
97.06546	4.0
97.10167	4.8
98.98469	82.0
99.08080	3.4
105.07032	7.9
107.08606	10.6
108.08941	0.6
109.06521	1.1
109.10155	27.3
111.08089	2.3
111.11707	1.1
113.09631	1.6
116.99508	1.1
119.08575	7.8
120.08924	0.6
121.10136	10.8
123.08085	1.0
123.11707	12.6
124.12100	0.6
125.09644	0.8
127.11202	1.1
133.10129	8.5
135.11685	7.7
137.09621	1.6
137.13243	7.8
139.11226	0.8
140.01080	0.6
147.11690	5.6
149.13281	7.1
151.11243	0.8
151.14813	5.8
155.01042	100.0
155.14359	0.6
156.01396	0.9
161.13274	6.0
163.14813	5.8
165.12764	0.7
165.16364	4.6
167.14311	0.9
173.02161	0.6
175.14821	4.9
177.16347	0.9
179.14384	0.9
179.17949	0.9
189.16423	3.1
191.12666	0.5
193.15894	0.9
195.17369	0.5
196.03787	1.1
207.17343	0.6
217.19568	0.6
245.20154	1.2
245.22661	22.3
246.23013	1.2
263.23706	50.2
264.24118	3.3
289.16382	0.7
417.20929	10.6
418.21909	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	8.6
55.05503	12.8
56.96559	14.9
67.05500	29.4
69.07065	17.5
69.27921	41.9
79.05490	20.5
81.06649	10.4
81.07043	53.7
88.00848	9.1
91.05478	40.8
93.07038	52.9
95.04981	18.4
95.05629	7.4
95.08588	38.2
98.22740	13.0
102.58625	7.9
105.07021	85.6
107.08600	53.1
107.33019	7.9
108.08936	10.4
109.06531	80.6
109.10166	26.7
117.07012	25.2
119.08585	81.3
120.08895	19.2
121.10136	69.8
123.08083	9.5
123.11648	18.6
125.06046	8.5
128.06226	11.0
129.07045	14.3
131.08572	43.1
133.10132	60.3
135.08081	11.3
135.11739	43.5
141.06976	7.3
141.09973	9.2
142.07799	23.7
143.08580	45.4
145.10135	43.2
147.08028	17.0
147.11713	19.0
155.08571	16.0
156.09343	17.9
157.10100	39.0
159.11722	25.6
161.09612	10.9
165.07016	7.6
169.10139	30.7
170.10811	7.5
171.11725	21.7
173.09660	10.1
173.13280	14.3
175.14790	14.6
181.10101	9.2
182.10884	7.6
183.11728	18.6
185.13234	13.5
193.10094	18.9
194.10959	10.6
195.11676	22.2
197.09558	9.3
197.13306	13.4
199.11105	13.9
207.11627	17.2
209.13216	25.3
211.14754	12.3
213.16515	9.0
219.11678	9.1
220.12405	8.3
221.13213	18.7
225.16423	18.2
231.17390	8.7
233.13298	12.6
235.14838	18.7
237.12746	9.9
247.14883	10.4
249.16298	9.7
259.14688	11.1
263.17914	13.4
281.19040	10.3
329.24380	15.1
357.25867	11.2
359.23871	15.9
375.18256	12.5
375.26743	8.6
386.33752	7.9
393.19354	20.2
399.19687	12.7
399.26828	26.0
417.20953	100.0
417.28189	64.4
418.17334	11.1
418.22244	18.2
418.38882	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	418.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.9
55.64762	1.0
55.96489	1.1
56.45739	1.0
67.05503	1.1
69.21449	6.3
79.05502	6.2
79.22922	0.9
81.03411	1.4
81.07066	1.8
85.02911	2.3
87.05023	1.1
91.05485	1.8
93.07056	1.3
93.20795	1.2
95.04984	3.1
95.08594	1.3
103.05476	6.1
105.01835	1.2
105.07030	57.7
106.07344	1.4
107.08647	1.1
115.05451	12.7
118.04189	3.1
131.04955	2.2
133.06497	47.2
137.13303	1.6
143.05022	1.3
143.06056	4.6
161.05980	100.0
162.06320	3.0
167.07086	9.5
168.07373	4.8
181.04971	4.3
182.05322	4.3
185.51631	1.2
191.06989	2.3
193.08601	74.5
194.08969	3.3
269.18442	1.1
320.18600	1.3
344.18414	1.4
388.14966	1.4
417.20822	1.6
418.16272	2.7
418.22128	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35593	0.4
69.35977	0.2
77.93175	0.2
92.59769	0.1
98.22740	0.3
106.06562	0.3
107.04918	0.3
116.04994	0.8
119.04900	0.4
120.04530	0.2
134.06013	2.0
135.04404	1.2
137.05945	0.5
144.04416	0.3
155.39360	0.1
162.05505	4.6
211.07332	0.2
241.07277	1.2
256.09680	100.0
257.10004	4.8
269.41849	0.2
378.96170	0.2
418.14969	14.6
419.15359	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.15
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96099	0.1
63.77127	0.1
76.77755	0.2
98.97570	0.2
102.94360	0.2
106.06532	0.6
107.04950	0.3
108.28281	0.1
116.04990	0.7
116.05669	0.1
119.04904	0.5
121.06436	0.2
122.09679	0.2
134.06013	1.8
135.04411	1.3
137.05927	0.4
144.04399	0.2
146.06000	0.2
162.05501	4.2
195.00986	0.1
223.77748	0.2
241.07446	0.8
256.09677	100.0
257.10019	5.6
304.16998	0.2
320.18707	0.2
418.14975	13.5
418.21353	0.7
419.15176	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	9.6
55.05526	2.3
65.03946	2.4
67.05496	5.0
69.03438	4.9
69.65411	9.8
79.05469	10.7
81.03423	10.8
81.07063	4.7
81.71516	2.3
85.02909	4.8
86.09709	24.6
87.00791	2.1
88.04003	3.5
91.05499	8.0
93.03393	3.2
93.07069	5.3
95.04978	11.0
95.08650	2.9
97.06532	3.3
98.22748	4.2
103.05491	8.2
105.04530	3.1
105.07021	26.3
107.04975	12.8
109.10190	2.5
111.04472	3.0
115.05467	10.0
117.07027	5.2
118.04205	2.5
119.04927	4.4
119.08634	2.9
121.06499	3.7
121.10135	2.8
123.04433	10.4
124.05252	3.6
125.06007	4.9
131.04924	7.7
132.05737	3.9
133.02834	4.4
133.06505	30.2
133.10133	7.6
134.10484	3.5
137.05957	11.1
139.03888	8.8
140.04698	2.6
142.35976	2.3
143.04944	4.5
143.06055	4.0
145.06514	11.1
145.10141	3.7
147.04399	3.2
147.08119	4.3
149.06050	5.2
151.03912	6.2
151.07558	2.7
153.05489	15.0
154.06248	19.3
155.07104	4.7
160.05325	2.2
161.05988	50.2
163.07501	3.8
163.14830	2.1
165.05502	13.2
166.42220	2.1
167.03424	6.1
167.07042	100.0
168.07692	18.5
171.06586	4.3
173.05997	9.7
175.07574	4.9
176.04707	3.7
177.05475	7.6
179.07060	3.3
180.07835	48.8
181.04951	85.3
182.05603	5.1
182.09427	10.3
183.06583	9.7
184.07301	6.3
185.03030	2.5
187.07562	4.8
189.05507	5.9
191.07048	8.0
192.07806	15.2
193.08629	26.0
194.09412	6.5
196.07468	3.1
205.08640	4.7
207.06511	4.3
208.07397	5.6
208.10902	2.7
209.08096	10.1
210.08798	20.8
218.09325	2.9
219.06569	3.9
219.10147	5.5
221.08139	7.8
226.08305	4.4
233.08125	9.5
234.08652	2.8
235.09694	5.3
236.10466	4.8
245.18698	2.6
246.15015	3.4
251.09096	5.6
256.09738	12.2
320.18542	3.3
344.18484	3.8
364.21124	3.0
387.14423	9.8
388.14883	3.3
403.14114	2.6
418.15811	13.8
418.22058	37.1
419.20691	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	418.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06594	1.1
73.06564	1.1
84.08150	1.0
88.11318	1.1
91.05476	1.1
93.07032	1.4
103.05475	7.6
107.04974	2.3
120.08111	100.0
121.06532	2.6
121.08455	2.9
131.04945	2.4
135.04456	0.9
137.05968	1.3
149.05992	1.6
151.07530	2.4
162.05498	2.6
166.08644	56.3
167.08992	1.0
168.10321	0.8
170.36224	0.6
181.74205	0.8
191.03419	0.8
193.19102	0.9
201.61526	0.6
238.97118	0.6
246.14911	0.8
256.09705	46.3
257.09979	3.1
315.06418	0.7
316.47180	0.8
320.18524	2.7
344.18555	1.1
418.14981	5.9
418.22061	16.6
419.14651	1.4
419.22543	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.1
53.16305	1.7
55.01883	4.2
55.05514	7.2
55.59464	1.9
57.03429	3.3
65.03918	2.1
67.05499	15.0
67.37187	1.6
69.03430	15.2
69.07072	6.8
69.23166	1.7
69.78992	6.6
70.06580	9.8
71.04989	3.9
73.02931	3.7
79.05500	37.7
81.03419	10.6
81.07062	21.2
83.05011	4.7
83.08635	2.8
85.02912	28.7
87.00829	11.3
87.87624	1.7
91.05478	32.6
93.07049	95.5
94.07367	1.9
95.04965	11.6
95.08618	6.8
97.02880	14.5
97.06532	2.4
97.10162	1.8
98.23373	3.9
99.04479	6.0
105.01867	13.7
105.04533	4.6
105.07023	11.0
107.04971	2.1
107.08598	100.0
107.60641	1.8
108.08963	2.9
109.02869	10.9
109.06534	8.6
109.10220	2.2
117.07060	2.5
119.06082	3.6
119.08608	4.8
121.06487	1.8
121.10178	6.8
123.08125	2.1
125.09641	2.2
127.03918	23.3
128.61134	1.9
131.08606	2.3
133.10165	3.7
135.08061	1.8
135.11702	59.9
145.04988	9.5
145.10139	3.6
157.10304	2.4
159.02859	8.2
159.11786	2.8
162.12798	1.7
231.05060	5.7
235.64040	2.0
236.16530	2.3
246.15018	1.8
249.06119	2.0
273.18552	2.8
291.19534	4.0
297.42871	1.8
320.18732	4.7
344.18521	4.8
347.22101	2.1
365.23331	3.6
383.24152	2.2
418.22159	59.5
419.21375	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	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03942	5.9
53.68806	0.7
55.01878	4.1
55.05511	6.5
57.03433	2.8
57.07044	0.8
57.36765	0.7
61.02922	3.4
65.03940	2.6
67.05505	13.9
68.99789	1.7
69.03428	17.9
69.07071	5.9
69.34359	3.1
70.06581	0.9
71.04968	3.5
73.02927	3.9
77.03924	2.3
79.05493	43.3
80.05816	0.7
81.03419	16.4
81.07058	17.4
83.04968	0.8
85.02904	51.0
87.00829	17.7
91.03969	1.1
91.05478	25.5
92.05807	0.9
93.07043	100.0
94.07372	2.4
95.04964	11.3
95.08604	2.3
97.02890	16.5
98.06076	0.8
98.23446	1.5
99.04465	9.3
100.11251	1.6
103.05455	0.9
105.01866	23.9
105.04513	4.6
105.07029	7.4
107.04919	0.8
107.08591	79.3
108.04493	2.8
108.08191	0.7
108.08921	1.6
108.55352	0.8
109.02876	18.2
109.06523	2.6
109.10165	0.8
110.03139	0.6
117.01824	1.6
117.07036	1.1
119.06112	1.4
119.08585	3.4
121.10120	0.9
123.21880	0.6
126.05562	1.5
127.03915	36.9
128.04294	0.9
129.01843	2.8
131.08640	0.7
132.09373	0.7
133.06512	0.7
133.10127	3.2
135.04263	0.7
135.11691	66.9
136.12004	2.2
138.09126	0.6
145.04961	16.8
145.10094	1.5
147.02887	2.2
147.11684	1.6
157.76230	0.6
159.02888	12.1
159.11714	1.5
161.05862	0.7
161.09656	0.7
167.07040	5.8
168.07439	2.0
174.06416	0.7
177.03937	0.8
181.04997	2.5
182.05363	1.3
189.03938	1.7
191.07043	1.1
192.07498	1.1
193.08614	0.7
203.17958	2.0
210.12845	0.7
210.14807	0.7
216.44183	0.7
224.91206	0.8
231.04962	9.2
243.13846	0.8
243.21121	1.9
248.07677	1.4
249.06012	1.8
256.09641	4.8
285.22095	1.3
344.18402	0.8
418.15692	2.2
418.21973	10.7
418.26996	0.5
428.70367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.8
53.03947	3.3
55.01867	1.5
55.05510	7.0
57.03432	1.2
57.07066	0.5
57.11049	0.4
61.02925	0.9
65.03930	1.8
67.05499	2.1
68.99812	0.5
69.03426	3.9
69.07059	4.0
70.09208	0.6
70.09541	0.4
71.04988	0.5
73.02920	1.0
77.03916	2.8
79.05493	16.0
80.05827	0.4
81.03413	4.2
81.07055	3.1
85.02901	10.5
87.00813	3.8
91.05480	28.2
92.05781	0.7
93.07043	93.3
94.07330	1.7
94.07848	1.0
95.04965	9.0
95.05524	0.7
95.08604	1.0
97.02893	4.6
98.06084	0.3
99.04465	2.0
100.11268	1.0
104.39557	0.3
105.01880	4.0
105.04520	4.7
105.07030	7.7
107.08591	100.0
107.50796	0.3
108.04473	0.9
108.08921	2.9
109.02867	4.0
109.06529	4.8
117.01867	0.7
119.06069	2.9
119.08562	1.2
120.09428	0.5
126.05492	0.6
127.03915	7.8
129.01837	0.6
135.11691	45.4
136.12027	1.9
145.04939	4.4
147.02907	0.4
151.01399	0.3
159.02888	2.8
164.87315	0.4
175.11104	0.3
182.15390	0.5
208.42059	0.3
210.14885	0.4
210.42032	0.4
230.06671	0.6
231.04984	2.4
248.07664	0.5
256.09647	1.4
284.07050	0.4
392.85425	0.4
418.21597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07048	1.7
63.04763	1.6
67.05499	11.6
70.06609	1.7
71.05034	2.2
79.05494	2.4
81.07059	3.2
83.04964	2.1
85.02862	1.5
85.06532	8.2
86.09702	2.0
87.04446	4.7
91.05482	2.2
93.07043	3.6
95.04942	2.1
95.08607	68.6
98.12852	1.5
105.07023	4.5
107.08578	7.2
113.06013	9.8
115.79366	1.5
119.08593	11.4
121.06435	1.7
121.10133	4.9
123.08076	28.0
131.08533	3.0
133.06529	1.6
133.10144	2.8
135.11708	10.5
135.52702	1.5
137.09642	2.1
147.11684	5.0
148.56250	1.6
149.09621	20.6
151.07486	1.8
151.14835	1.9
161.13278	12.8
163.11186	7.9
165.12733	4.7
171.11568	1.9
173.13335	1.8
177.05429	1.4
179.14322	2.9
189.12715	12.4
207.13811	100.0
208.14120	6.0
217.92108	1.4
225.14873	9.7
312.68982	1.5
320.18723	2.5
344.17978	1.6
375.16284	2.6
418.22177	21.5
419.15353	3.4
421.78348	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	418.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.05512	14.1
55.05732	2.8
56.59640	2.0
65.03941	4.4
67.05511	22.6
69.03419	4.5
69.07079	15.8
70.06584	4.6
70.18412	3.7
71.58482	2.3
74.02437	3.3
79.05495	7.6
81.07056	29.0
83.04996	3.3
83.08624	5.9
88.03993	4.0
91.05469	9.3
93.07043	17.7
95.04971	29.7
95.08604	41.7
97.06524	5.3
97.10167	6.7
98.22807	2.4
103.05494	2.9
105.07033	21.2
107.08593	23.6
109.06467	2.6
109.10162	20.7
113.24758	2.2
117.07021	2.9
119.04855	1.9
119.08581	37.6
121.10149	19.1
123.08072	2.7
123.11707	5.5
131.08568	10.6
133.06535	2.1
133.10129	36.7
134.04485	8.0
135.08002	2.2
135.11690	17.7
137.09599	2.4
137.13211	2.3
138.09140	2.1
143.08559	2.9
145.06448	3.0
145.10117	22.4
147.11667	21.6
148.05215	2.5
149.05779	2.8
149.13252	6.8
157.10077	6.0
158.10910	2.3
159.11710	23.9
161.09573	4.1
161.13255	29.1
163.14807	7.0
167.07066	12.2
168.07376	8.4
169.10143	3.0
171.11617	6.7
173.13264	38.0
174.13828	2.9
175.11250	4.9
175.14819	22.4
177.16461	3.3
181.04939	5.3
182.05309	6.5
183.11647	4.3
185.13231	4.5
187.11224	2.8
187.14819	31.9
188.15167	2.5
189.12776	4.3
189.16411	14.9
191.07019	5.3
192.07300	3.4
197.13237	5.0
199.14899	2.4
201.12743	6.4
201.16376	18.9
203.14384	3.2
203.17934	20.4
211.14772	3.9
215.14275	7.7
215.17888	4.9
217.15865	2.6
227.17854	2.6
229.15862	6.2
236.16440	2.3
243.17259	2.6
243.21072	8.1
257.22635	100.0
258.22955	7.7
263.27130	2.2
267.21133	13.1
285.22125	76.6
286.22403	5.9
338.11307	2.2
344.18484	2.3
388.14816	2.4
394.37250	2.3
400.24695	3.0
418.21722	15.8
418.26306	65.8
419.25964	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	418.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	10.4
55.05508	26.6
57.03434	19.6
60.39656	4.2
65.26806	4.5
67.05198	4.8
67.05508	41.2
69.03395	5.2
69.07064	38.0
69.19246	27.8
70.06572	6.7
71.04990	10.8
79.05499	49.2
81.02962	6.7
81.03419	100.0
81.07060	72.4
83.04973	16.4
83.08620	29.8
87.51670	4.4
91.05476	49.2
93.07037	54.6
95.04961	37.5
95.08613	27.1
97.06527	31.5
97.10149	13.3
98.23524	7.4
99.08102	6.9
105.07040	36.8
107.04944	14.1
107.08593	28.2
109.06517	23.3
109.10142	12.1
111.08084	15.4
115.07551	25.3
117.07013	17.1
119.08588	32.8
121.06480	8.1
121.10146	25.7
123.08041	14.7
125.05985	5.1
125.09635	12.9
129.06975	21.4
131.08586	25.7
133.10138	14.3
135.08096	9.8
135.11758	5.7
142.07704	6.6
143.08565	7.5
145.06297	4.3
145.10107	13.2
147.08049	11.0
147.11662	16.9
149.09515	9.4
149.13228	6.0
157.10135	21.2
159.11717	10.9
161.09554	5.2
161.13416	4.1
163.11317	4.3
171.11655	7.8
175.11285	19.3
175.12564	4.4
177.12822	6.9
189.11200	7.3
190.12198	4.4
193.12251	83.3
210.50583	4.8
211.13240	14.0
227.12866	4.5
237.72401	4.8
242.29208	4.2
247.09671	5.0
249.14680	4.7
267.15945	44.0
269.17535	9.2
273.18661	21.9
285.16971	6.5
291.19482	15.6
320.18430	11.7
344.18414	5.7
365.23117	11.9
373.33179	4.0
383.24417	7.2
406.70261	4.0
418.22211	89.8
419.22272	8.1
436.73434	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	418.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68478	4.0
55.05512	14.3
57.03438	7.8
57.07088	7.5
61.22360	5.6
63.28352	3.9
67.05514	49.9
69.07059	8.6
70.06594	17.4
71.04992	16.6
71.08627	17.0
79.05492	15.7
81.07056	30.3
83.08625	9.5
84.37479	3.9
88.07644	10.1
91.05482	15.5
93.07038	17.9
95.04964	6.7
95.08609	17.3
99.08092	13.3
105.07011	7.3
107.08586	11.6
109.06487	4.3
109.10178	40.2
119.08562	8.1
132.10210	18.1
133.10167	6.0
135.11688	6.2
151.11148	5.8
161.13368	4.8
173.11739	26.4
194.13873	4.9
218.03667	3.8
222.83398	5.4
226.08633	4.2
227.12805	4.9
229.14369	72.3
233.44434	4.3
277.21573	14.5
286.20090	11.0
320.18576	10.1
344.18378	7.8
351.25293	37.3
368.28284	4.8
418.22134	100.0
418.34158	6.0
418.39023	75.8
419.22433	12.1
419.39301	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	418.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	0.5
57.07076	5.0
58.06593	2.2
67.05519	0.9
67.49243	0.4
68.05022	0.4
69.07040	0.4
69.50483	1.3
70.06593	18.3
71.06912	0.5
71.08624	1.9
71.60480	0.3
72.08148	2.5
79.05509	0.4
81.07045	0.5
84.08134	2.0
84.68596	0.3
85.10180	1.0
86.09702	3.5
87.04470	0.4
88.07631	4.2
89.05995	0.4
91.05444	0.4
93.07056	0.4
95.96616	0.3
96.38007	0.4
98.23519	0.4
98.98433	0.4
102.09164	2.5
107.08559	0.3
109.10156	1.0
114.09164	0.5
132.10201	9.2
146.11765	8.8
187.80161	0.3
229.14398	0.9
256.09680	1.9
268.30042	1.8
277.21753	0.4
279.64664	0.4
294.31470	1.9
312.32599	7.8
327.95468	0.4
356.35208	40.9
357.35486	2.9
400.37958	0.7
418.22787	1.8
418.38898	100.0
419.39227	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	419.1316
Annotation	3'-Hydroxy-5,6,7,8,4',5'-hexamethoxyflavone
Peak:m/z	Relative Intensity
55.01860	2.0
57.03416	4.0
59.36800	1.4
66.65054	1.6
69.03416	1.9
69.51407	4.6
71.04994	14.6
73.02902	2.4
75.78902	1.7
78.74421	1.4
82.72614	1.3
83.04972	1.7
85.02911	20.7
86.09712	1.5
86.55127	1.4
87.04450	2.9
91.05472	13.7
97.02863	5.3
98.97552	3.4
107.04935	1.7
108.23590	1.3
113.05939	1.6
116.98568	1.4
118.59716	1.4
125.05946	2.4
129.05446	6.4
133.04955	1.6
137.05948	1.6
145.04927	3.3
147.06526	2.5
153.05466	8.4
163.06009	1.6
195.06555	9.3
199.09312	2.0
217.19615	1.4
241.14058	1.6
246.91875	1.7
257.09790	4.2
269.07681	1.7
315.14053	2.3
317.08469	2.1
375.16183	1.9
419.12991	100.0
419.22418	4.7
420.13525	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65918	6.3
60.04539	8.9
63.15764	7.1
69.68401	20.9
69.98621	5.8
79.05487	7.8
82.49263	5.9
82.91656	6.3
86.09710	22.4
91.05454	8.2
98.22658	6.9
107.04964	23.5
115.05454	8.3
115.23135	6.4
117.07028	10.2
120.08117	6.8
133.06555	6.8
134.47194	6.5
145.06529	18.7
147.04472	6.5
156.05733	10.4
159.08075	9.5
162.05513	21.8
167.07077	69.1
167.50900	7.1
173.05998	29.4
173.12868	22.1
187.07500	9.2
190.06303	16.2
205.08702	44.0
208.05223	14.6
217.08623	35.5
222.07645	26.1
235.09721	9.3
247.09619	13.4
269.08002	18.9
282.08871	6.8
291.10181	7.5
293.08362	11.2
307.09579	8.4
315.08636	80.3
321.25906	8.0
323.12762	8.2
330.10974	100.0
331.11581	15.3
343.12125	6.7
351.12228	14.1
383.14767	24.4
401.15738	7.8
419.15643	9.6
419.22333	20.2
420.20267	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	419.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89485	5.1
55.05525	5.0
56.53625	4.4
59.33562	4.7
65.03944	5.5
69.28278	13.7
69.28683	12.0
91.05472	7.3
95.04973	16.5
97.37464	5.0
98.23455	7.2
114.36736	5.1
115.05489	9.0
123.04418	16.2
128.06256	12.0
131.08548	10.9
137.06000	5.2
141.06934	5.7
143.08588	7.8
144.05731	5.8
145.06500	6.3
151.03935	14.7
151.08582	5.2
153.05527	7.2
156.05768	8.7
157.06516	7.4
159.08096	13.0
163.03937	9.7
165.05501	7.6
167.07112	7.3
168.04207	6.1
169.66551	5.3
170.07260	23.9
171.08014	5.8
177.05405	8.8
180.07922	5.1
181.05054	5.9
183.06528	41.3
187.07568	17.4
198.06706	8.8
199.07510	5.7
203.07047	19.5
216.07811	22.3
217.08571	30.6
218.07234	5.1
218.09402	16.5
219.10164	50.0
223.06065	15.8
231.10185	53.1
232.10730	6.9
305.08115	7.3
337.10461	11.0
369.13187	6.0
401.15976	100.0
402.16241	6.0
419.15891	10.2
419.22470	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28328	6.5
55.01876	11.6
55.05527	10.6
55.92050	7.3
57.03431	12.2
57.07083	8.2
59.05003	11.1
59.71951	6.9
61.02917	10.9
62.02898	6.4
67.05502	19.0
69.03429	44.5
69.07065	17.9
70.58073	16.1
71.04999	37.9
73.98603	7.0
78.97701	5.9
79.05491	21.8
81.03426	29.3
81.07067	55.0
81.64653	6.3
85.02914	100.0
85.06567	12.4
87.00822	50.2
91.05489	28.4
93.07053	45.0
95.04983	10.5
95.08592	36.0
97.02892	44.0
97.06529	12.3
99.04475	17.5
105.01846	44.6
105.07039	29.6
107.08582	40.7
109.02886	25.9
109.06541	19.3
109.10167	21.4
115.03969	10.3
115.45687	6.4
117.07015	7.6
119.08592	34.8
121.06537	11.6
121.10167	8.8
123.04408	7.3
123.08060	9.6
127.03937	38.2
131.08607	10.6
135.11691	36.5
137.13287	17.2
143.08566	13.5
144.50920	7.1
145.04971	13.9
145.10080	10.2
153.12733	89.5
153.13881	9.3
155.14362	12.1
159.02939	8.4
163.11200	13.2
163.57416	7.3
165.12755	15.4
167.07039	21.4
173.09665	13.5
177.12764	10.9
178.26031	6.4
186.17667	6.3
189.80820	7.1
191.10699	12.1
219.13702	7.3
231.05005	11.5
257.09967	18.4
261.14987	20.9
279.15659	11.4
335.08258	7.4
365.15631	10.2
383.17032	12.4
419.16052	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	419.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97573	0.8
55.05506	2.2
55.23495	0.8
56.96569	67.2
57.07074	1.4
58.27145	0.7
59.72213	0.8
64.46461	0.8
67.05495	2.1
69.07069	8.3
71.95269	1.8
72.96037	1.9
79.05508	1.0
81.07050	3.2
83.08623	1.8
84.96029	1.9
89.15319	0.7
93.07055	0.9
93.29359	0.8
95.08604	4.8
98.97587	70.7
99.97966	0.9
105.00121	0.8
105.07040	1.8
109.10123	1.4
112.84786	0.7
116.98624	53.3
119.01698	3.2
119.08529	0.9
125.06038	0.9
134.99663	21.7
137.02766	7.2
140.00194	4.7
147.04414	2.6
149.78319	0.9
151.04300	1.2
153.00710	2.5
155.03790	3.5
158.01270	2.4
163.04448	1.3
165.02240	1.7
167.03839	0.8
169.05438	0.8
177.05881	1.5
181.01712	3.8
181.05357	1.8
183.03378	1.6
191.07114	2.8
195.03285	0.9
195.07074	1.8
199.02783	19.5
205.05399	1.0
209.08575	1.5
213.04289	1.7
214.05161	2.0
217.03839	9.9
219.06978	2.2
222.04361	1.4
223.02774	5.2
225.04370	2.5
227.05873	1.4
229.08913	1.8
231.07101	1.9
231.10559	2.6
233.08562	1.1
233.83282	0.9
235.02861	1.2
235.09955	1.5
241.03841	19.7
241.07433	1.2
243.10620	1.0
245.08495	1.5
245.12157	1.9
247.10075	2.8
249.04172	1.0
249.11658	3.6
253.03815	3.9
253.07457	5.5
256.26276	1.8
257.12100	1.0
259.04822	6.2
259.13602	1.2
261.08350	0.8
261.11658	1.8
263.05942	1.5
263.09293	1.3
263.13199	2.2
264.05481	2.3
265.14883	1.2
267.05463	3.0
269.06927	1.2
271.08475	5.3
277.07477	5.6
277.10437	1.2
277.14731	1.1
279.09241	0.9
279.12659	1.1
285.10059	0.9
295.08527	12.4
297.18918	3.6
307.12427	1.0
313.18622	1.9
315.19843	5.3
318.10083	1.7
333.20959	3.5
334.01913	0.9
337.12933	1.0
341.17841	22.2
341.21841	1.4
342.18353	1.0
357.20932	12.3
359.18939	100.0
360.19211	7.7
375.22098	1.8
377.20016	56.9
378.20374	3.3
382.20541	12.4
395.21085	12.2
395.28912	1.0
400.21674	4.7
401.19998	45.5
402.20139	3.7
416.21118	1.0
418.22549	1.0
419.21048	46.9
420.21326	4.8
420.31076	3.7
437.22079	15.1
442.22733	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	419.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.1
56.96569	91.0
57.07056	1.7
67.05482	4.7
69.07079	8.1
69.95161	2.8
69.95496	1.8
72.96042	2.3
79.05478	3.7
81.07048	10.2
83.08592	2.9
84.96004	2.0
91.05477	4.1
93.07036	4.1
94.66729	1.1
95.08605	9.4
98.23383	1.5
98.97584	100.0
105.07026	11.3
107.04951	1.2
107.08593	3.4
109.10182	4.1
116.98620	80.3
119.01719	5.3
119.08569	5.1
121.10099	2.5
123.01186	1.3
125.05998	1.3
131.08568	1.8
133.10153	1.5
134.99654	38.1
137.02751	15.2
140.00203	9.0
143.08507	1.2
145.10117	2.9
147.04396	2.8
147.11682	2.9
148.32561	1.1
153.00702	3.0
155.03822	8.3
158.01230	4.3
159.11740	1.8
161.09610	2.0
169.05403	1.6
173.04922	1.2
175.14786	1.9
181.01712	1.8
183.03416	1.3
191.07079	3.0
195.06982	1.8
199.02779	11.3
201.04337	1.5
201.16206	1.6
209.08447	2.1
213.04230	2.0
215.07388	1.4
217.03842	4.8
219.06979	2.0
221.08426	2.1
223.02716	4.7
223.06491	2.1
227.07542	1.6
229.08943	3.2
231.06764	2.9
231.10515	2.5
233.04866	1.7
233.12015	1.5
235.06519	1.1
235.09955	1.5
239.05878	1.7
241.03839	21.8
243.05399	2.1
245.08420	5.0
245.12169	2.3
247.10100	2.9
248.69377	1.2
249.08064	1.2
249.11684	4.1
251.13132	3.7
253.03809	4.5
253.07361	2.5
259.04709	5.8
259.10010	1.8
261.08191	1.3
261.11398	1.5
263.09479	2.9
263.13358	1.7
264.05463	2.9
265.11008	1.3
269.14154	1.5
271.08563	3.3
277.07431	3.3
277.11078	3.3
281.10632	5.2
285.22144	2.1
293.13986	1.5
295.08405	3.7
295.12183	7.1
295.17285	1.4
296.12955	1.8
297.18732	2.0
299.11676	7.6
313.13214	5.1
315.19980	7.2
319.12097	14.7
333.21021	10.2
337.13190	21.8
338.13403	1.4
341.17752	14.8
355.14307	2.6
356.22729	1.7
357.20969	5.7
359.18918	51.3
359.23456	2.6
360.14813	4.2
360.19238	5.4
377.20001	52.9
378.20285	6.2
382.20441	7.0
383.19003	5.2
395.21060	80.2
396.21402	5.3
400.21588	4.9
401.19965	42.0
402.20386	4.3
413.22137	2.1
418.22748	6.8
419.21014	98.8
420.21130	8.5
420.30997	2.5
437.16095	2.3
437.22150	43.0
438.22406	4.0
442.22763	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	419.2769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87288	1.9
68.77341	1.4
70.06581	2.1
70.15732	2.8
70.16063	2.0
81.07058	2.4
93.07037	1.8
95.08613	1.7
107.08623	1.9
109.56482	1.8
114.46660	1.5
119.08619	1.9
147.04181	2.1
196.87634	1.5
200.53726	1.7
203.00699	1.6
318.17975	2.1
319.18707	1.6
337.17557	3.6
357.35562	2.7
369.23978	62.4
370.24356	6.3
387.25006	44.9
388.25574	1.9
401.26575	23.1
402.27063	3.3
419.18600	4.4
419.27725	100.0
419.39203	7.9
420.19818	3.1
420.27859	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	420.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14143	1.9
53.62749	1.4
55.01870	3.4
57.03450	1.5
63.89631	2.0
69.42271	8.8
76.21016	1.7
79.05498	4.5
83.01349	2.4
85.02914	3.4
91.05499	2.7
93.81462	1.6
95.04987	2.9
95.13534	1.6
97.02889	1.9
103.05482	5.6
104.99242	2.7
105.07039	45.7
115.05459	9.7
117.07026	3.2
123.04457	5.1
125.48508	1.9
131.04904	1.8
133.06500	44.9
139.03976	1.9
143.04994	2.4
143.06096	4.9
145.06505	6.0
147.04408	2.0
155.07042	4.7
157.06505	2.5
161.05991	100.0
162.06361	2.6
167.07063	24.2
173.06027	5.4
175.06006	3.2
183.06544	3.3
185.02388	2.0
187.07664	2.4
190.06273	2.0
193.08617	85.8
194.08952	4.1
201.05612	2.2
202.04761	2.9
205.08572	9.0
207.06548	4.9
213.05418	3.6
219.06526	3.6
221.08113	4.8
221.10550	1.8
229.04942	4.9
230.05794	1.8
231.06509	5.6
233.04448	6.1
233.08153	4.6
235.09723	3.8
247.06023	3.8
249.07657	3.1
251.09134	26.0
252.09511	2.1
258.07596	3.6
259.06268	2.6
261.07721	13.7
263.09198	5.6
275.09186	2.7
279.08636	5.9
287.09015	2.4
289.07034	8.4
293.10333	2.8
305.10355	5.2
307.08170	22.0
321.47058	1.9
323.11218	2.9
325.09247	2.7
338.96616	3.3
367.10117	6.3
385.11255	22.4
420.12772	8.5
420.19998	3.3
421.09430	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	420.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44030	1.2
55.01865	3.1
56.74654	1.3
57.03439	13.1
57.20699	1.4
59.20143	1.3
61.02939	10.2
69.03434	20.9
71.01369	1.5
73.02921	65.6
81.03404	3.0
85.02910	58.3
85.04349	1.5
87.04458	3.8
91.03958	2.7
91.05484	100.0
97.02899	54.8
97.03387	0.8
97.32903	1.3
98.22717	4.0
99.04463	2.5
103.03941	3.6
105.07019	4.0
109.02887	4.2
115.03944	26.8
127.03920	20.2
129.07004	2.6
133.04976	30.3
133.06516	5.9
143.03311	1.6
145.04980	32.9
145.06438	3.8
150.07596	3.6
157.06483	3.6
159.08037	1.5
161.04474	2.4
162.07582	1.4
163.06021	19.1
175.07504	2.0
187.07559	1.8
193.05040	1.5
205.08643	3.1
209.94133	1.4
217.08707	2.4
223.06029	6.3
235.09724	2.0
241.06993	8.4
253.10684	4.6
259.08105	11.7
277.09225	2.5
288.80624	1.4
295.10294	6.2
384.76492	1.4
420.19113	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54494	1.0
50.72093	1.0
52.45746	0.9
52.95824	0.9
53.03947	6.0
55.01870	9.8
55.05513	4.1
56.44497	1.1
57.03436	8.2
57.07081	2.2
61.02929	4.0
67.05506	8.0
68.99785	3.7
69.03432	36.6
69.07070	8.4
70.52801	2.4
71.01355	1.3
71.04994	3.5
73.02913	6.7
74.07991	1.0
76.80654	1.0
77.89596	1.2
79.05497	7.0
81.03418	25.2
81.07060	54.8
83.01357	1.6
83.08624	4.1
85.02909	100.0
85.06548	3.2
86.03256	1.4
87.00829	40.5
87.04431	1.8
91.03932	1.9
91.05509	1.6
93.07051	6.1
95.04991	1.2
95.08615	23.4
97.02892	33.9
97.06514	1.8
99.04459	17.1
99.08057	1.3
104.99265	1.2
105.01870	47.5
105.07031	3.6
105.33137	1.2
107.08601	3.8
108.04469	5.2
109.02880	31.8
109.06530	1.4
109.10183	3.8
111.04484	1.6
111.08090	4.5
111.11729	4.4
115.03941	5.7
117.01842	3.1
119.08591	4.5
121.06617	1.1
121.10132	3.1
123.11710	1.9
125.68190	1.0
126.05524	2.4
127.03913	70.0
129.01852	5.2
131.08621	2.6
133.10120	2.4
135.08064	1.9
135.11702	4.3
137.13274	17.5
141.09109	1.2
145.04964	34.3
145.10144	1.7
146.05365	1.6
147.02933	3.7
147.08057	2.4
147.11667	2.4
149.13254	2.5
153.09151	1.3
153.12788	5.5
155.14265	5.9
159.02882	20.5
159.11700	2.0
161.09663	1.6
161.13261	1.3
163.11230	1.7
165.09172	1.7
165.12787	1.7
167.14297	1.6
168.57574	1.3
169.10045	1.0
171.02876	1.2
173.13254	1.9
177.09190	1.7
177.12755	1.9
179.14342	3.5
189.04007	4.2
189.12733	1.7
191.14308	1.8
195.10030	1.3
199.14783	1.3
201.04024	1.8
207.62036	1.0
213.03940	4.8
217.15933	1.8
219.05040	2.7
221.15436	2.7
227.14290	2.5
230.06587	1.6
231.05000	19.4
245.15416	3.6
248.07718	3.6
249.06097	5.4
263.16531	4.8
296.70480	1.1
338.96967	1.4
349.16379	4.1
367.17609	3.3
392.19159	1.2
420.22266	2.0
421.99072	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47087	0.3
53.03942	1.2
55.01869	0.6
55.05503	0.5
57.07049	0.7
60.22637	0.3
65.03938	0.4
67.05215	0.3
67.05505	2.4
69.03429	1.3
69.07079	1.6
70.20136	0.7
73.02925	0.5
79.05497	6.8
81.07058	100.0
82.07387	1.8
85.02904	3.1
87.00829	1.4
90.36939	0.3
92.53201	0.3
93.07041	0.4
95.04963	0.5
95.08607	12.2
96.08940	0.4
97.02888	1.4
99.04474	0.4
104.99284	0.6
105.01880	2.2
109.02913	1.2
109.10150	0.5
120.60230	0.3
127.03907	2.6
137.13257	22.3
138.13553	0.7
145.04974	2.5
159.02873	0.5
188.30313	0.3
231.05077	1.1
249.06087	0.5
274.97580	0.5
338.96948	1.0
420.20535	0.4
441.82437	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86563	0.5
53.03941	1.2
54.17186	0.5
57.03443	0.6
57.07080	2.4
59.37071	0.6
61.02927	0.7
67.05506	3.0
69.03439	2.6
69.07067	3.2
69.42031	1.9
71.05000	0.6
73.02927	1.0
79.05491	6.9
81.03418	1.9
81.07056	100.0
82.07384	2.4
85.02905	8.3
87.00820	3.6
93.07089	0.6
95.08606	17.8
97.02893	6.1
98.97565	0.8
99.04457	1.6
103.41834	0.5
104.99289	1.9
105.01854	8.6
107.08594	1.2
109.02892	2.8
109.10151	1.5
127.03918	8.2
135.11725	0.8
137.13249	24.7
138.13600	0.9
145.04959	5.4
154.15874	1.2
159.02924	1.3
174.84505	0.6
198.98851	0.6
213.04070	0.7
231.05002	3.7
248.07758	1.0
249.05992	0.7
251.04875	0.6
262.98206	0.6
274.97552	1.8
292.98743	0.7
316.09891	0.6
326.67111	0.6
338.96704	4.6
356.97784	1.4
404.20361	0.6
420.20413	2.3
421.22131	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.01872	0.6
55.05510	1.0
57.02857	0.3
57.03428	0.6
57.07074	2.0
60.63663	0.3
61.02925	0.7
67.05508	4.5
69.03429	3.4
69.07066	4.4
70.16019	0.5
70.16333	0.7
71.04992	0.6
73.02921	1.0
79.05495	6.9
80.57612	0.3
81.03424	2.7
81.07056	100.0
81.68917	0.3
82.07389	2.2
85.02901	8.6
87.00827	4.1
87.93893	0.3
93.07037	1.1
95.08607	21.2
97.02888	6.0
99.04462	1.4
105.01874	7.5
109.02861	2.5
109.10153	1.1
119.08606	0.4
121.06492	0.6
126.05528	0.4
127.03918	8.6
129.01797	0.4
135.11671	0.4
137.13255	21.5
138.13589	0.6
141.51398	0.3
145.04967	6.0
159.02888	1.7
177.83063	0.4
193.04962	0.6
208.34717	0.4
231.05014	4.0
248.07747	0.4
249.06111	2.0
280.36313	0.3
338.96722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	0.7
55.05506	0.7
56.24368	0.6
57.03433	0.9
57.07070	1.0
62.29064	0.7
67.05512	2.1
69.03432	2.5
69.92788	2.0
71.04966	0.6
79.05497	6.0
81.03422	1.0
81.07056	100.0
82.07391	1.7
84.56199	0.6
85.02900	9.3
87.00823	4.4
93.07047	1.0
95.04984	0.7
95.08604	9.0
97.02889	4.8
98.22767	0.6
99.04450	1.8
104.99268	2.6
105.01871	10.8
105.07037	0.9
108.04493	1.0
109.02896	1.7
127.03908	7.8
137.13252	32.3
138.13628	1.5
145.04935	5.1
159.02890	1.1
179.42668	0.7
197.03627	0.6
228.02956	0.7
230.58217	0.6
231.04944	3.8
248.07735	1.0
249.06097	3.0
274.97443	2.0
284.09958	1.9
292.98550	0.8
338.96716	4.7
349.16385	0.8
356.97867	1.0
420.20413	2.6
421.21909	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	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
53.56059	1.4
55.01874	1.8
55.05531	2.4
57.03450	1.6
57.07072	3.9
61.02944	2.8
67.05502	10.2
69.03439	4.8
69.07081	2.7
69.12883	7.9
71.04989	12.9
79.05499	18.6
81.03415	2.7
81.07070	2.6
81.12895	1.5
83.04966	1.9
85.02910	15.4
85.06542	86.0
91.05489	7.6
93.07040	12.2
95.04963	3.3
97.02904	4.8
97.06570	1.6
104.99288	3.8
105.07038	8.0
107.04968	5.6
107.08584	14.0
109.02876	2.2
109.06516	2.9
109.10143	1.5
111.04464	4.7
117.07034	4.2
119.04925	2.4
119.08582	10.7
121.06550	7.6
121.10152	14.6
127.03967	2.1
129.07028	4.3
131.08563	44.4
133.10182	2.0
135.08015	2.1
135.11678	4.6
137.09637	5.9
139.07520	5.3
145.04926	2.2
145.06488	2.0
145.10114	39.6
145.11203	2.1
147.04398	5.2
147.08064	1.8
149.09618	43.2
150.09961	2.0
163.07561	1.6
163.11174	19.9
165.09155	2.5
167.07007	2.3
167.10698	13.3
173.09624	7.4
191.10677	32.6
191.12396	1.6
192.10973	1.8
205.12286	7.5
209.11687	11.4
223.13289	57.5
224.13654	3.4
241.14345	100.0
242.14795	4.6
265.46939	1.4
292.82843	1.7
292.98532	1.7
338.96753	6.2
420.22757	2.9
421.21353	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
67.05515	3.4
69.03393	1.5
69.07038	1.4
69.25239	3.3
69.25649	5.4
71.04984	4.7
79.05489	8.1
81.89117	1.2
85.02906	3.4
85.06534	2.8
91.05493	8.3
93.07043	10.1
95.04926	2.5
95.08649	1.6
97.02898	2.5
98.23461	2.2
105.07024	10.4
107.04953	5.0
107.08595	9.3
116.06220	1.5
117.07011	4.4
119.04891	2.2
119.08552	4.9
121.06507	6.2
121.10143	11.3
121.84896	1.3
129.06978	2.3
130.07759	3.3
131.08560	84.8
132.08952	3.4
135.11670	3.1
145.10123	38.2
145.11229	2.8
147.04413	5.4
147.08002	2.5
149.06009	1.5
149.09613	20.5
153.04193	1.2
155.07101	1.4
163.11159	9.8
167.07045	5.5
191.10670	12.8
192.07770	1.5
205.12236	23.4
206.12581	1.6
223.13280	100.0
224.13664	3.8
241.14357	5.4
279.46606	1.4
338.96851	1.8
357.52289	1.7
421.21243	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	420.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27636	1.4
55.05508	5.3
55.84095	1.2
57.03428	3.0
57.07059	1.7
58.02570	1.7
61.02921	1.9
67.05521	1.8
69.03438	11.5
69.07069	2.5
69.30247	6.5
73.02912	7.5
78.77861	1.5
79.05493	3.4
80.34292	1.5
81.03407	2.0
81.07047	3.7
82.35655	1.3
83.04978	6.3
83.08599	3.2
85.02916	10.3
85.06532	2.7
91.03921	1.5
91.05479	16.5
93.07031	8.5
95.04958	2.1
95.08614	10.0
97.02893	8.3
97.06546	2.0
97.10189	3.6
99.08102	5.7
105.07015	7.6
107.04958	1.7
107.08598	14.6
109.02917	2.3
109.06514	3.0
109.10147	6.0
111.08092	5.3
113.06008	3.0
115.03950	5.1
117.06996	1.9
119.08611	10.9
121.06432	1.7
121.10135	13.6
123.08029	3.3
123.11719	1.7
125.06030	2.9
125.09632	38.9
127.03918	2.5
131.04918	1.3
131.08589	3.8
133.04956	4.1
133.06479	2.3
133.10133	14.8
135.08054	5.1
135.11716	5.6
137.09654	3.3
145.04895	2.8
145.10124	17.0
147.08047	1.7
147.11688	6.3
149.09621	41.7
149.10818	2.0
149.13269	4.8
150.09959	2.6
151.11235	9.9
153.05446	3.0
153.09122	11.8
159.11708	4.0
161.05966	2.1
161.13313	2.3
163.11159	3.4
163.14828	5.1
167.06996	2.7
172.10274	1.5
172.12463	2.1
173.13254	2.7
175.14810	14.6
177.16347	2.3
187.14844	16.6
191.14307	21.8
192.07745	1.5
192.14604	1.6
193.15886	6.0
195.13788	1.4
196.50728	1.4
197.11769	1.4
204.23642	1.3
205.12363	8.1
205.15877	28.2
206.16122	1.8
209.15378	100.0
210.15742	5.4
223.13255	3.9
227.16435	27.3
262.98172	1.4
295.28842	1.4
334.15485	2.3
338.96643	2.3
376.16428	7.2
420.15601	12.5
420.20441	4.4
421.15228	4.2
421.27786	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	420.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.5
55.05516	42.0
56.96566	3.2
57.03445	12.7
57.07077	9.3
58.06599	4.2
63.86521	3.0
66.24700	3.3
67.05505	56.6
69.03430	11.0
69.07083	17.7
69.67699	11.6
70.06600	14.0
71.05005	3.5
71.08643	30.5
79.05494	33.0
81.03421	25.4
81.07059	44.7
83.04988	12.1
83.08628	33.3
85.06537	5.9
88.07642	18.0
91.05478	30.9
93.07049	32.0
95.04959	17.0
95.08618	29.2
97.06573	4.8
97.10173	45.1
98.97592	9.0
99.08105	15.8
102.09182	12.0
104.02592	5.9
104.99289	11.1
105.07040	21.8
107.04938	4.2
107.08594	23.9
109.10188	17.3
111.08100	11.8
112.84253	4.0
116.98575	3.7
117.07030	5.8
119.08589	15.5
121.10162	9.2
125.09631	39.5
129.07014	7.6
131.08556	6.4
132.02092	8.4
133.10146	11.6
135.08093	6.3
135.11723	8.9
147.04446	22.0
147.11678	7.6
148.05179	5.7
149.13261	5.4
151.11218	11.2
157.10156	5.9
161.13281	6.0
165.12804	4.7
173.11786	15.4
173.13074	3.5
175.03928	39.8
175.11270	6.1
177.12761	4.3
179.14429	4.2
180.04175	5.5
184.07414	8.6
189.11237	19.2
193.12294	10.8
207.55313	3.0
219.06534	76.0
227.12773	34.8
228.23222	42.8
229.14407	10.3
245.13820	23.3
253.18076	6.0
274.97516	8.4
277.21558	24.8
285.17148	5.4
293.21173	7.6
335.21948	8.7
338.96759	23.4
351.25299	46.8
352.25690	5.1
356.97940	4.6
379.99606	5.3
420.19754	21.0
420.27515	100.0
421.20197	34.0
421.27444	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	420.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	13.6
55.05510	100.0
57.03431	26.0
57.07069	6.5
64.18146	5.3
67.05507	95.1
69.03439	14.8
69.07059	29.7
69.96848	14.6
69.97174	5.9
71.05003	10.9
79.05499	67.0
81.03422	60.9
81.07059	77.3
81.08765	5.3
83.04975	18.5
83.08623	76.3
85.02934	8.9
85.06515	7.2
91.05482	44.4
93.07035	62.1
95.04987	30.0
95.08599	38.9
97.06516	12.6
97.09605	8.0
97.10176	93.6
99.08060	10.6
104.99265	21.1
105.07041	29.2
106.18980	6.6
107.04972	14.5
107.08595	44.9
109.06573	9.1
109.10148	26.4
111.08065	13.6
113.09666	7.5
117.07048	13.9
118.52463	5.6
118.93221	6.0
119.08574	27.5
121.10130	24.6
125.09634	75.6
131.08591	17.9
133.10144	13.1
135.08073	6.2
135.11717	14.0
137.09631	7.2
139.11151	10.6
147.11688	22.0
149.09654	15.6
151.11198	6.9
153.09135	9.0
157.10161	6.5
171.10144	7.9
173.11774	9.9
175.11246	12.7
189.11241	51.7
193.12292	39.2
194.72987	7.2
211.13231	10.8
227.12822	73.3
229.14336	19.0
241.19551	9.1
244.97774	7.2
245.13818	38.1
259.20505	13.3
262.98093	7.6
274.97543	7.9
277.21658	43.2
285.17023	14.2
293.21243	13.6
294.16983	6.5
302.19141	6.4
309.03809	6.6
327.28864	8.0
334.32669	6.1
338.96634	31.6
351.25320	75.3
352.25443	7.2
404.20770	9.1
420.20044	29.4
421.20135	25.2
421.25528	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	420.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.8
55.01859	1.7
55.05506	4.9
57.03437	4.8
59.04997	1.8
59.17480	1.5
63.87725	1.6
65.01797	1.5
67.05512	17.7
69.07071	3.7
70.57043	2.9
79.05502	12.2
79.74949	1.8
81.03390	2.2
81.07060	18.5
83.04974	1.6
83.08612	5.8
91.05449	11.1
93.07043	13.8
95.04954	5.1
95.08606	10.2
97.06560	2.8
97.10175	3.5
98.97574	4.0
104.48508	1.8
104.99268	12.4
105.07071	7.9
107.08580	7.3
109.06488	2.1
109.10160	14.9
117.07009	4.5
119.08578	6.2
121.10170	5.9
125.09664	2.1
131.08578	4.2
133.10123	5.7
135.11739	2.1
137.09613	2.3
145.10100	3.2
147.11711	3.4
149.13255	2.8
159.11713	3.3
173.11790	3.5
173.13121	2.0
193.12288	2.0
223.51703	1.5
229.14415	14.9
251.16353	2.0
256.96442	2.5
257.19119	2.1
262.98053	4.1
269.17477	8.5
274.97458	4.6
275.20062	6.3
292.98337	1.8
309.20511	21.0
338.96710	17.3
349.23679	8.1
356.97885	4.9
367.24710	6.8
404.20819	3.2
420.20078	11.0
421.21979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	6.0
55.05510	18.1
57.03447	10.7
67.05501	58.4
69.07069	16.4
69.39816	14.2
71.04985	4.1
77.98524	3.7
79.05494	35.5
81.03426	6.5
81.07059	70.7
81.75692	3.9
83.04996	6.3
83.08629	13.1
85.06535	4.4
91.05476	22.5
93.07042	29.8
95.04978	8.5
95.08608	25.9
96.73578	3.1
97.06539	12.1
97.10217	4.3
98.97594	9.9
104.99265	24.8
105.07023	17.4
107.04957	3.4
107.08610	26.6
109.06496	6.9
109.10162	22.3
111.08117	6.1
117.07033	13.3
119.08565	19.8
120.47780	3.4
121.06507	3.7
121.10168	13.4
129.07001	4.1
131.08585	10.8
133.10147	16.0
135.11702	9.8
143.08588	4.5
145.10146	6.7
147.11670	6.8
149.09666	7.4
149.13266	13.4
159.11713	14.0
163.11266	4.0
168.52036	3.6
173.11807	9.5
177.12775	14.8
179.14282	4.6
180.97723	4.5
189.11243	4.2
195.13849	5.2
224.94290	3.8
229.14288	33.3
251.16498	3.5
256.96390	3.6
257.19067	6.1
262.98288	11.1
269.17474	85.5
272.95251	3.9
274.97583	15.6
275.20102	30.9
292.98306	3.8
309.20392	6.9
338.96704	31.9
349.23669	28.7
356.97778	6.9
367.24631	26.5
404.20822	9.6
420.19772	20.4
421.21988	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.6
55.05506	2.5
57.07077	6.0
58.06590	1.0
60.77139	0.9
65.00642	5.2
65.03953	1.0
67.05513	2.2
68.05038	0.9
69.07074	4.5
70.06594	14.7
71.08636	3.1
73.02918	7.1
79.05487	2.5
81.07063	3.7
83.08611	2.0
88.07631	20.1
91.05473	7.5
93.07046	2.7
95.08605	5.7
97.10149	1.1
98.97595	0.9
102.09186	13.9
104.99280	3.6
105.07018	19.9
107.08590	3.0
109.10120	4.1
111.11710	1.1
119.01649	10.0
119.04948	2.1
119.08557	6.4
121.10141	2.4
131.08585	4.3
133.10133	3.5
135.11763	1.5
137.02676	15.5
137.05951	0.8
145.10120	6.8
147.04411	74.2
147.05447	4.2
147.11676	5.7
148.04759	2.3
149.13283	1.6
159.11713	2.3
161.13266	2.9
163.14850	0.9
173.13278	2.7
175.14883	1.6
187.14821	1.4
191.07031	85.4
192.04538	0.8
192.07307	4.0
201.16446	2.2
219.06534	1.9
256.26355	42.6
257.22632	6.6
257.26724	2.5
262.98273	1.1
274.97525	1.7
285.22131	17.2
292.98474	1.0
338.96811	5.9
356.97900	1.7
420.31094	100.0
421.21710	1.0
421.31555	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	421.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.5
63.22641	0.4
64.30407	0.4
69.36845	0.4
70.06583	0.4
70.16302	0.4
70.16636	1.0
70.57049	0.4
81.07056	7.3
82.07400	2.1
85.02889	0.6
88.27926	0.3
91.05458	0.5
91.10748	0.4
95.08587	0.7
98.97607	0.9
100.07626	0.8
100.11263	0.5
104.99258	2.2
109.10286	0.4
123.91553	0.3
127.03939	0.5
128.07097	1.5
137.13266	1.7
138.13567	1.2
145.04912	0.6
167.03250	0.5
201.05238	1.5
211.01694	0.4
216.07585	10.4
217.08371	4.9
227.05301	2.8
235.73711	0.4
262.98160	1.1
274.97565	1.9
283.53967	0.4
287.35397	0.4
292.98602	1.0
338.96747	3.4
339.20712	0.4
350.09796	0.4
356.97855	0.6
390.12979	0.6
404.20633	0.7
421.14691	100.0
422.15076	6.2
439.53210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1473
Annotation	Melampodin A
Peak:m/z	Relative Intensity
53.32672	1.0
55.81521	1.0
56.38010	1.0
56.92970	1.0
56.96561	1.1
58.74096	1.2
64.32397	1.0
68.91060	1.1
69.35570	4.7
69.35936	2.1
70.47346	1.1
71.35686	1.2
77.55222	1.1
78.74200	1.0
80.99003	1.2
85.87272	1.1
86.67641	1.0
98.97591	3.2
104.99290	2.6
177.05443	1.1
237.02872	1.5
298.65158	1.2
307.10687	2.1
338.96530	5.8
421.14700	100.0
422.15088	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	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85390	0.2
51.02367	0.4
53.03947	0.9
53.84407	0.2
55.01867	0.6
55.05515	2.1
55.90330	0.2
57.03449	0.4
57.07059	0.6
57.37881	0.2
60.19062	0.3
65.03937	0.8
66.67303	0.2
67.05510	3.5
68.99791	1.0
69.03429	5.9
69.07064	2.0
71.04996	0.7
72.08132	0.3
77.03925	0.3
79.05492	6.1
81.03416	2.2
81.07054	6.0
83.04981	2.4
83.08619	0.8
84.04510	0.5
84.08150	0.3
85.02902	1.0
85.06526	0.4
87.00835	2.3
88.21962	0.3
91.04934	0.5
91.05477	6.8
93.07040	4.1
95.04982	1.6
95.08597	2.3
97.02900	3.2
97.06534	0.5
98.97575	0.3
99.04450	1.0
100.99726	0.2
104.99260	0.8
105.01853	0.7
105.04564	0.4
105.07033	8.8
107.04955	3.9
107.08595	19.6
108.08918	0.7
109.02876	4.9
109.06522	2.3
109.10158	7.5
115.05441	1.7
116.06236	0.3
117.07013	2.0
118.07839	0.4
119.04954	0.7
119.06116	0.6
119.08597	4.2
121.06493	2.2
121.10148	11.9
122.07284	5.9
122.10466	0.3
123.08075	1.0
127.03918	11.4
128.04211	0.2
129.07019	0.4
130.07787	0.3
131.08568	2.8
132.98515	0.2
133.10129	100.0
134.10466	3.7
135.08060	7.1
135.11668	1.4
137.09615	57.8
138.09953	2.0
142.07649	0.3
143.08557	0.8
145.04976	1.1
145.10106	1.1
145.11180	0.3
147.04417	3.1
147.08057	0.4
147.11685	2.6
148.06030	0.4
149.09598	1.9
149.12100	0.5
149.13255	8.3
155.14336	0.3
157.10071	0.5
158.10936	1.4
161.09592	0.4
162.28392	0.3
163.11156	0.5
163.14796	1.7
169.04956	0.3
173.13258	5.6
175.11084	0.3
181.08585	0.5
183.02835	0.3
191.14308	46.2
192.14621	2.1
195.02988	0.3
203.14160	0.3
213.03946	3.6
231.05032	1.2
274.97403	0.6
289.63580	0.3
292.98679	0.3
299.16394	0.4
317.17639	0.6
335.18478	0.7
338.96698	1.0
356.97815	0.4
403.17383	1.1
404.20773	0.6
421.18173	0.4
421.21335	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
55.01877	0.3
55.05513	2.3
56.69944	0.3
57.03441	0.6
57.07075	0.8
61.70994	0.3
65.03938	0.7
67.05508	2.7
68.99790	0.7
69.03429	5.0
69.07056	1.8
69.89961	0.9
71.04974	0.7
77.03949	0.5
79.05492	5.8
81.03422	3.0
81.07053	5.5
83.04977	1.9
83.08602	0.5
85.02893	0.9
87.00837	2.2
91.05473	5.8
93.07037	3.7
95.04958	1.1
95.08598	1.7
97.02888	3.4
98.22763	0.3
99.04463	0.9
104.99310	0.4
105.01867	0.8
105.04498	0.4
105.07031	7.2
105.68427	0.3
107.04945	3.7
107.08591	17.7
108.08970	0.7
109.02886	4.2
109.06499	2.4
109.10158	5.8
111.08118	0.4
115.05463	1.2
117.07018	2.1
118.07806	0.3
119.06068	0.7
119.08588	3.5
121.06531	2.3
121.10146	11.5
122.07281	5.8
123.08076	1.5
127.03913	10.6
129.07022	0.5
131.08563	2.9
133.10126	100.0
134.10439	3.4
135.08052	8.2
135.11694	1.1
137.09612	55.4
138.09955	1.4
143.08542	0.8
145.04944	1.0
145.10115	1.4
147.11676	2.4
149.09702	1.7
149.13251	7.8
151.11183	0.5
158.10925	1.5
161.09668	0.3
163.11223	0.3
163.14816	1.3
171.11664	0.4
173.13269	6.3
191.14308	47.6
192.14673	1.9
209.15405	0.5
213.03908	3.0
231.04950	1.7
299.16623	0.4
317.17267	0.5
335.18536	0.6
338.96854	0.5
403.17395	0.5
421.18750	0.9
448.02591	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	6.6
56.96572	4.3
57.07072	4.8
67.05508	12.8
67.57159	3.4
68.33507	3.6
69.07089	4.4
70.06598	8.7
71.46429	4.2
79.05495	4.8
80.06099	3.1
81.03437	6.5
81.06612	3.3
81.07067	10.8
91.05477	7.7
93.07071	7.1
95.04972	5.4
95.08602	11.1
98.97606	10.9
102.09206	9.3
104.99307	36.4
105.07004	4.2
106.77374	3.7
109.10194	5.2
116.98687	5.5
147.11673	4.6
149.02345	25.1
184.07460	4.5
193.04921	27.1
193.12267	4.8
194.12656	3.9
216.41306	3.7
256.26465	15.8
256.96414	3.9
262.98294	11.7
274.97549	19.8
290.74350	4.1
292.98636	10.3
296.47101	4.0
338.96802	52.0
356.97797	13.5
404.20764	11.7
421.20160	100.0
421.25391	15.6
422.20679	7.0
422.29111	49.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
61.74684	3.8
66.50816	4.3
67.05496	6.1
69.01802	3.8
69.07088	4.3
95.08633	4.7
98.97591	15.6
104.99272	42.2
109.10156	5.8
112.76947	4.5
116.07069	4.1
116.98628	7.1
149.02335	12.6
152.89124	4.1
162.12755	6.4
171.31337	4.0
193.05006	15.5
206.89551	4.9
256.26318	6.1
262.98151	19.0
274.97479	14.9
338.96814	43.7
353.34341	4.2
356.97806	14.6
404.20642	31.4
421.20035	100.0
421.25677	26.3
422.20712	5.4
422.28925	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.22
Annotation	Unknow
Peak:m/z	Relative Intensity
70.69772	0.9
71.82664	0.4
79.42064	0.4
104.99274	0.4
106.17184	0.4
132.53732	0.4
144.69243	0.4
186.36049	0.4
225.79324	0.4
240.29424	0.4
250.73233	0.4
274.97464	0.4
308.08057	0.4
326.26263	0.4
335.18292	19.1
336.18594	0.5
338.96771	0.7
367.48599	0.4
421.21991	100.0
422.22369	5.8
438.46878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93098	0.9
57.07084	1.6
60.98796	0.9
69.88052	2.0
69.88381	1.9
71.08648	2.8
74.16238	0.9
76.36245	0.9
81.07044	1.7
85.10186	0.9
89.06034	1.9
98.23419	1.5
99.02095	1.0
119.00847	17.7
188.43457	0.9
209.26775	0.9
217.81776	1.0
218.03911	1.2
251.10301	2.1
263.20068	2.2
265.11887	1.1
266.12582	1.5
266.99332	1.0
277.37317	1.0
325.21854	1.3
341.26645	5.1
347.19586	100.0
348.19894	7.4
388.22165	1.9
404.20602	2.1
421.23312	66.2
422.23709	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	421.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82173	1.2
55.01859	5.2
55.05507	6.6
57.03442	10.1
57.07076	11.1
67.05499	12.7
69.07069	10.9
71.04982	2.6
71.08614	4.0
79.05477	8.5
81.06621	1.4
81.07058	15.6
83.04973	2.7
83.08614	4.8
85.06541	3.0
85.61873	0.9
91.05473	6.2
93.07038	13.2
95.04961	1.6
95.08597	13.4
97.06511	5.8
97.10188	1.6
98.98457	10.1
104.99271	3.0
105.07029	6.3
107.08592	12.0
108.78691	1.2
109.06519	11.5
109.10149	4.6
111.04401	1.2
111.08041	1.7
117.07037	2.0
119.08560	6.0
121.06501	1.4
121.10149	5.5
123.08078	8.1
123.09431	1.1
123.11602	1.2
125.06036	1.8
131.08522	2.4
133.10120	4.6
135.08044	65.2
135.11650	4.6
136.08415	1.6
136.99986	7.9
137.05962	4.8
139.07457	1.2
145.10095	4.5
147.07974	2.0
147.11682	3.3
149.09625	6.4
149.13229	1.8
151.07503	3.2
151.11201	1.7
153.12756	1.6
155.01060	10.8
157.10120	1.2
159.11723	2.2
161.09627	5.1
161.13222	1.5
163.11177	2.0
165.12769	3.1
171.11679	1.5
175.11142	2.9
177.12741	18.9
180.23463	1.4
181.12234	2.6
185.13278	1.2
188.93463	1.2
191.14284	2.7
193.02580	2.7
193.12204	1.7
203.14316	1.7
205.15979	1.4
211.03635	2.7
262.97900	1.5
265.59647	1.2
274.97458	2.2
285.24286	8.3
291.19293	1.2
301.25223	1.4
305.21402	2.3
305.24707	17.2
310.34390	1.1
319.26263	6.0
327.38208	1.2
329.24707	10.5
338.96674	4.0
339.18942	3.6
347.25800	30.2
348.26349	2.3
365.26901	3.7
393.29752	1.7
403.28561	3.6
421.23520	13.1
421.29367	100.0
422.29700	7.1
425.46451	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.4
55.05512	9.4
57.03443	10.6
57.07077	38.9
67.05508	11.7
69.03419	1.5
69.07072	10.3
69.54675	0.9
70.06611	1.0
70.62855	1.6
71.04979	1.3
71.08658	1.2
79.05491	7.9
81.07063	22.4
83.04977	2.9
83.08629	3.6
85.06554	14.2
88.07627	1.2
91.05473	5.4
93.07049	11.6
95.04974	2.1
95.08607	16.0
97.06525	4.5
97.10191	2.0
98.97579	1.6
98.98435	1.2
104.99269	4.9
105.07046	6.0
107.08605	14.9
109.06522	12.5
109.10155	7.0
111.04447	2.8
111.08063	4.4
116.98642	1.1
117.07035	1.5
119.08578	8.2
121.06537	1.8
121.10157	6.4
123.08083	11.6
123.11752	2.7
124.93050	0.9
125.06009	2.9
125.09587	1.0
131.08594	2.8
133.10132	5.1
135.02681	0.9
135.08049	14.7
135.11705	4.6
137.05983	23.7
137.09665	2.5
137.13255	1.7
138.06839	0.9
139.07602	1.4
143.08606	1.5
145.10143	2.9
147.04404	1.1
147.11731	5.7
149.09621	3.5
149.13260	2.1
151.07558	5.7
151.11177	4.7
153.12732	2.2
155.01109	1.5
157.10120	1.3
159.11739	2.1
161.09598	2.5
161.13284	2.2
162.03163	1.6
163.11320	1.1
163.14835	1.0
165.09218	1.2
165.12750	8.1
167.14262	1.5
171.11832	1.2
175.11205	2.2
177.09215	1.1
177.12752	5.7
179.14323	3.8
184.04510	1.2
189.16438	1.3
191.07068	1.5
191.14351	2.3
193.04968	1.7
193.12323	2.2
193.16101	1.0
203.17932	1.3
205.15945	1.2
207.13800	8.2
228.23358	1.0
231.17630	1.2
233.19096	3.2
236.06966	0.9
249.18492	1.6
256.26538	1.0
261.18607	0.9
262.98148	1.6
263.19986	4.8
274.97446	2.5
277.17960	1.2
305.24835	1.6
319.22922	1.6
319.26315	10.8
320.26770	1.1
329.24960	4.6
337.27383	5.5
338.96790	6.9
339.19266	1.9
347.25815	100.0
348.26236	6.8
365.26852	18.4
365.81635	1.0
393.30011	11.9
403.28476	3.1
404.20654	2.0
421.29550	71.0
421.78351	2.3
422.29709	6.1
426.00735	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.5
55.24128	0.5
57.07078	81.6
58.07425	1.3
59.05001	0.6
69.07072	7.8
71.08633	72.1
72.08992	0.6
73.06567	2.6
81.07092	0.7
83.08622	2.9
85.06554	0.5
85.10184	42.4
86.10500	0.7
87.04484	1.9
89.06033	100.0
90.06368	1.0
92.13538	0.5
97.10172	2.9
98.22520	0.8
98.82327	0.5
99.11725	5.9
107.07079	2.2
111.11716	3.7
113.13300	5.5
117.09171	1.0
125.13279	1.6
127.14876	2.6
129.01886	0.5
130.08601	2.9
131.07101	0.6
133.08606	59.3
134.08919	1.0
149.02333	3.0
151.09688	5.3
156.27005	0.4
177.11230	12.8
191.13005	0.5
195.12277	2.8
210.49597	0.5
239.14891	29.0
240.15189	1.0
271.26227	0.7
328.68533	0.6
341.26556	4.1
421.20105	0.9
421.35349	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	422.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64897	3.1
56.96575	4.5
60.49435	3.2
61.02911	3.7
70.26939	3.3
85.02909	3.2
91.05495	7.6
93.85488	2.8
95.04971	9.1
98.97590	4.6
100.67920	2.8
100.97005	3.7
109.06541	8.5
119.04946	3.8
120.08112	4.4
123.04375	15.6
128.43430	3.2
133.02853	6.0
137.05980	10.5
140.04683	41.9
141.05029	3.7
151.07501	4.7
152.68863	3.4
155.07039	57.0
165.05518	8.8
179.07040	7.1
180.04213	4.9
181.04962	42.2
183.06593	9.5
193.04959	13.0
197.08073	5.7
207.06595	12.2
225.07564	34.4
232.96526	5.3
237.00725	4.2
243.08653	100.0
318.08734	3.6
325.01669	5.5
380.03253	7.0
436.09372	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54409	1.0
53.03951	3.6
55.01867	5.6
55.05511	5.8
57.03432	3.1
59.69023	1.3
61.02927	4.2
67.05495	1.1
68.99791	1.9
69.03431	25.2
69.07068	47.7
70.07398	1.0
71.05004	3.1
73.02927	4.7
79.05483	1.6
81.03417	15.1
81.07078	1.6
83.08646	1.2
84.62654	1.4
85.02906	69.7
86.03265	1.2
87.00831	28.8
91.03964	2.1
93.07050	2.1
95.08621	9.5
96.25034	1.0
97.02893	29.5
97.06536	1.3
97.10173	2.3
99.04465	11.4
105.01865	43.6
105.07026	1.3
109.02881	22.9
109.06397	1.2
109.10146	1.2
111.11720	54.1
117.01849	1.9
121.10127	4.2
127.03918	47.4
129.01840	2.6
133.06511	1.2
139.11176	69.6
140.11597	1.3
145.04950	21.8
147.02902	2.0
147.04414	1.1
148.06061	1.1
157.12244	100.0
158.12601	4.0
159.02884	9.7
161.05986	1.2
178.65228	1.2
189.03949	1.9
211.16995	1.6
213.03978	4.1
215.06807	3.7
223.06105	1.9
223.13322	1.3
231.04999	11.1
249.06155	3.6
265.14377	2.1
387.16479	4.8
422.21033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01864	2.9
55.05516	7.1
57.03428	4.1
59.11098	1.0
61.02919	5.0
67.05500	2.1
68.99796	1.5
69.03063	1.7
69.03429	21.2
69.07066	52.8
69.37366	4.9
71.04969	2.7
73.02914	3.3
74.12028	1.0
81.03416	15.4
81.07077	1.6
84.04526	1.6
85.02908	59.8
87.00830	34.1
87.01223	0.9
91.03994	1.4
91.05476	2.7
93.07024	2.4
95.08609	10.0
96.42326	1.1
97.02330	2.1
97.02894	22.6
97.06537	1.6
97.10140	1.3
98.22527	1.1
99.04456	6.7
102.55097	1.1
105.01866	41.0
105.07009	1.6
107.08634	1.2
109.02885	16.5
110.65386	1.1
111.11719	55.0
112.12042	1.4
113.51148	1.1
117.01861	2.1
121.06526	2.1
121.10149	5.1
123.04417	1.7
125.02359	1.6
127.03917	41.9
129.01823	1.9
139.11176	72.8
140.11572	1.7
145.04962	17.6
147.02858	1.6
147.04440	1.2
149.05994	1.4
157.12245	100.0
158.12611	3.7
159.02925	7.8
189.03951	1.3
213.03932	3.2
231.05037	9.3
249.06064	3.6
265.14075	1.5
387.16458	1.2
422.21609	2.5
423.19952	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	422.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23696	1.5
55.05503	2.4
67.05498	5.1
69.03416	5.9
69.07083	3.3
71.04982	3.5
79.05487	13.1
81.07050	12.6
83.04992	2.2
85.02888	6.0
86.09685	2.2
91.05476	7.4
93.07050	4.7
95.04963	6.0
95.08592	3.2
97.02898	2.7
97.06509	8.0
99.04443	11.2
105.07014	8.2
107.04954	11.0
107.08567	1.8
109.02828	1.7
109.06512	5.1
109.10159	26.9
111.04446	3.2
115.05411	1.9
117.07005	1.8
119.04977	2.9
119.08586	9.8
120.08069	2.2
121.06477	3.4
123.04424	16.7
125.05997	2.7
128.06195	3.5
129.06970	4.0
133.10136	11.1
134.86528	1.7
137.06023	2.2
137.09616	50.0
143.08575	10.8
144.08159	1.9
145.06496	2.8
145.10188	2.0
146.07256	2.9
147.04404	5.0
147.08046	17.1
154.05380	1.7
161.09621	93.9
162.09937	3.7
163.11176	4.2
165.09116	87.3
166.09488	3.0
167.05054	1.7
172.07480	1.8
173.06020	2.9
175.03867	3.4
179.10669	7.0
189.09108	24.5
196.07645	2.1
200.07008	2.6
201.05466	13.7
207.10165	100.0
208.10571	2.3
213.05397	5.8
215.06987	1.9
224.07187	1.9
225.11220	34.8
226.11456	2.1
227.07182	2.3
228.06491	5.9
237.00786	3.1
241.04753	2.3
242.08148	9.1
243.12198	3.5
244.09555	3.4
251.77168	2.0
258.07739	2.3
260.09274	2.5
270.07602	50.5
271.08151	3.9
271.10812	1.7
272.09192	10.6
282.07492	2.1
300.08502	1.8
310.50623	1.5
360.79736	1.6
394.12766	3.1
405.80109	1.6
422.12305	23.0
423.12286	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	422.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.2
69.03433	2.5
71.08916	1.3
74.76302	1.0
77.87076	1.1
79.05516	1.4
85.02901	4.1
91.05472	8.9
93.07043	13.1
95.04983	4.4
95.08609	1.9
97.02901	1.9
98.97588	1.2
99.04453	2.3
103.05471	7.7
105.07008	1.3
106.06540	1.4
107.08607	1.6
112.16766	0.9
119.04982	2.8
119.07315	1.1
119.08608	3.2
121.06502	100.0
121.10159	4.4
122.06068	1.9
122.06841	2.5
123.04463	1.4
123.08063	3.2
127.03912	1.7
136.07576	16.0
137.05966	1.5
147.04373	1.2
147.11594	1.2
148.07585	2.2
149.09621	2.2
150.05493	17.7
151.07516	1.2
161.13252	2.4
163.11188	1.3
177.05470	3.1
179.14270	2.4
186.09267	1.8
197.08186	1.4
198.09195	7.4
207.13837	3.7
210.09265	3.1
215.11911	3.3
224.20239	1.3
225.14830	9.9
227.11882	3.9
239.11794	8.6
241.09993	1.3
242.21082	2.0
256.10123	2.1
256.13931	18.2
260.22217	6.9
267.11264	1.9
285.12311	9.3
301.11954	1.7
347.17563	2.6
376.15677	2.6
376.20181	56.3
377.20483	5.1
404.19653	5.9
405.18054	53.9
406.18503	3.3
422.20886	35.4
422.27487	5.6
423.07220	1.4
423.21222	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	6.5
55.05506	14.7
57.03420	8.6
57.07072	10.0
58.52327	4.7
59.04991	7.0
60.47490	3.9
61.02920	8.1
61.92845	4.4
64.66418	4.8
67.05491	19.6
69.03425	21.5
69.07059	16.4
69.57393	19.3
71.04986	16.5
73.02901	12.9
79.05484	12.2
79.42556	3.9
81.03394	7.6
81.07059	31.6
83.04965	12.6
85.02903	51.5
85.06535	11.8
87.04507	4.4
89.65177	4.2
91.05464	30.0
92.05811	7.5
93.04134	4.6
93.07057	31.4
95.04955	19.9
95.08607	52.0
97.02884	21.7
97.06513	20.4
98.97578	5.4
99.04453	23.9
103.05466	6.4
105.07033	34.4
107.04958	10.7
107.08584	56.5
109.02923	5.7
109.06512	23.6
109.10155	48.3
111.08076	8.0
113.05972	7.5
117.06984	6.7
119.08566	51.9
121.06512	51.1
121.10141	95.1
122.05950	4.7
123.08065	100.0
123.11691	12.5
125.05990	5.8
125.09639	12.4
127.03919	6.0
131.08615	10.6
133.10143	21.7
135.08057	10.8
135.11690	13.1
136.07617	6.1
137.09653	27.1
137.13286	9.6
143.08511	4.7
145.10124	16.1
147.04407	5.0
147.08145	10.4
147.11700	35.7
149.09628	34.0
149.13219	10.1
151.07549	15.1
151.11179	18.7
153.05417	6.2
159.11714	10.3
161.13277	54.0
162.13495	5.7
163.11174	25.1
165.12752	20.4
167.07045	5.9
167.10590	6.4
169.12251	6.7
171.11594	8.9
174.10435	4.9
177.05455	6.2
177.12735	26.2
179.14314	55.0
181.12161	27.2
189.12746	43.2
195.06503	4.8
195.13815	18.4
207.11809	5.0
207.13797	94.9
208.14101	7.0
225.14832	84.8
227.11728	10.0
237.00694	17.0
241.09634	9.0
243.15895	41.6
255.11340	10.3
256.14450	7.0
260.22287	9.8
283.10596	5.8
301.11768	20.5
376.20157	18.0
393.25037	6.9
405.12900	7.2
405.17969	20.3
422.11581	14.2
422.16525	6.7
422.21399	12.5
422.26984	6.8
423.15836	5.8
423.25967	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	422.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01872	2.8
55.05508	5.6
57.03432	1.6
67.05496	3.9
69.03437	7.7
69.07070	95.3
70.04993	4.2
71.05015	7.1
71.38594	1.5
72.31749	1.3
73.06565	10.4
73.76309	1.5
81.03434	2.1
81.07057	5.1
83.04984	2.4
83.08615	6.2
85.02897	8.9
85.06572	2.3
91.05496	3.4
93.07043	2.3
95.08609	1.8
97.06534	22.2
98.22766	1.9
99.04461	43.8
105.07042	3.0
107.04916	1.8
107.08622	3.4
109.02886	2.1
109.10160	3.6
111.08085	70.8
112.08473	2.4
115.07570	85.5
116.07918	1.9
119.08552	2.3
120.05284	1.4
121.06491	2.4
121.10158	5.2
123.08025	1.9
127.03944	3.3
127.07577	2.8
127.11198	4.8
135.11714	2.6
138.29295	1.5
139.11185	41.7
145.04964	1.6
147.04387	8.7
147.11696	4.5
148.04762	4.5
149.09579	2.5
163.11256	2.4
165.12769	2.3
167.07072	2.1
181.12283	5.8
184.07433	1.5
189.12816	1.5
199.13306	53.3
199.15103	3.1
199.39893	1.8
200.13693	1.8
207.13841	5.8
213.07887	1.5
225.14868	100.0
226.15228	4.9
243.15915	30.2
244.16290	2.8
256.09750	3.1
275.10965	2.8
328.12964	1.6
377.41550	1.5
422.16080	10.4
422.21530	9.1
423.12616	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	422.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
55.01854	0.8
55.05510	4.3
55.52577	0.5
57.03408	2.1
57.07056	0.9
58.06557	1.9
60.04491	2.1
61.02928	2.8
67.05499	4.0
69.03433	6.8
69.07066	6.9
70.06587	4.6
70.14780	1.4
71.04958	1.3
71.08588	0.5
72.04509	0.6
73.02902	0.7
79.05456	1.5
81.03411	3.6
81.07060	5.7
82.06564	0.6
83.04946	1.0
83.08207	0.5
83.08612	5.4
84.08129	0.7
85.02905	15.2
85.06514	0.7
86.06017	1.4
87.04433	1.2
91.03956	0.8
91.05434	1.5
93.07005	1.7
95.08607	5.3
97.02894	6.5
97.06490	0.8
97.10168	3.7
99.04415	0.9
105.06976	1.2
107.08572	2.0
109.02851	1.4
109.06533	1.0
109.10147	4.5
111.08087	0.7
111.11684	1.2
112.87072	0.5
114.09128	0.5
119.08547	1.8
121.10104	2.1
123.11670	1.9
127.03918	3.8
133.10149	2.7
135.11673	0.7
137.09572	0.9
145.04926	1.3
147.11613	1.2
149.13292	0.6
151.11272	0.8
165.12769	0.7
179.18001	0.7
189.16458	3.0
196.20602	1.5
196.43700	0.5
207.17351	1.0
224.20088	39.6
225.18433	1.1
225.20456	1.9
242.21140	44.7
243.21530	1.7
260.09253	1.6
260.22205	100.0
261.22531	4.2
266.21194	1.0
282.37112	0.5
284.22299	1.5
302.23309	2.6
386.25281	2.4
404.26389	2.1
422.27478	27.6
423.27914	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
53.96810	0.6
55.01850	1.3
55.05512	5.2
56.54287	0.6
57.03414	2.5
57.07047	0.6
58.06581	0.8
60.04497	1.4
61.02902	2.3
67.05502	3.4
69.03429	5.8
69.07063	5.5
70.05024	1.4
70.06593	4.8
71.04980	1.3
73.02878	1.0
79.05482	1.2
81.03413	2.5
81.07053	5.3
83.08609	3.5
85.02903	13.2
85.06506	0.6
86.06055	0.9
87.04440	1.4
91.03912	0.9
91.05462	1.1
93.07024	1.4
95.08608	5.9
97.02899	6.3
97.10144	3.6
99.04448	1.4
99.08080	0.8
105.06997	1.3
107.08554	1.5
109.02858	1.6
109.10146	5.4
111.11688	0.9
117.66077	0.5
117.96630	0.5
118.81756	0.5
119.08572	1.0
121.10114	1.5
123.08101	0.7
123.11687	2.0
127.03883	3.0
133.06503	0.7
133.10101	2.1
135.11642	0.6
137.09543	0.7
145.04985	1.8
147.11626	0.9
151.11147	0.9
160.40067	0.6
161.05998	1.2
179.17912	0.8
186.37947	0.6
189.16342	2.2
196.20578	1.8
196.75583	0.6
207.10219	0.7
207.17413	0.7
215.06819	1.4
224.20088	42.3
225.20450	1.9
242.21136	37.5
243.19482	1.4
243.21568	1.4
260.22208	100.0
261.22595	4.5
266.21118	0.9
284.22076	1.5
302.23203	1.7
386.25461	2.1
404.26440	2.3
422.27457	27.3
423.27649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77965	0.4
51.10096	0.4
52.31620	0.4
53.03939	1.0
55.01854	0.7
55.05513	2.7
56.04998	1.5
57.03437	3.6
57.07062	1.1
60.04532	3.8
61.02931	3.4
67.05508	3.8
68.05038	4.0
69.03429	10.7
69.07071	5.1
69.32112	2.5
70.06563	1.5
71.04999	2.7
71.08611	1.2
72.04460	0.8
73.02897	1.7
74.06064	0.6
76.44220	0.6
79.05473	0.9
80.04997	0.6
81.03421	3.8
81.07063	4.3
82.06574	0.7
83.04967	0.7
83.08598	1.9
84.04496	0.7
85.02907	15.9
85.10175	0.6
87.04440	1.9
91.03958	0.8
93.06987	1.0
94.06097	0.4
94.06569	4.3
95.08609	6.9
97.02900	6.7
97.10141	1.4
98.06045	2.0
99.04424	1.6
107.08575	0.7
109.02866	2.3
109.10175	2.4
112.07569	0.5
116.07061	1.0
121.10143	0.8
127.03928	3.8
131.38719	0.4
145.04926	1.2
145.10095	0.4
154.15906	0.8
156.17464	1.9
168.17537	0.8
170.19061	1.3
182.18999	0.6
186.18535	31.5
187.18864	1.1
194.19020	6.7
195.17432	1.3
196.20612	0.7
206.19093	2.5
224.20102	14.4
225.20467	0.9
242.21155	10.8
254.21483	0.5
260.22214	100.0
261.22552	5.1
284.22220	1.0
294.67838	0.4
302.23328	0.8
363.68600	0.6
404.26828	0.7
422.27502	42.3
423.19766	1.0
423.28000	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	422.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.8
57.03436	3.9
59.04987	1.3
67.05506	24.3
69.07072	3.8
70.40800	2.8
71.08623	2.0
79.05494	7.5
81.07055	17.1
83.08622	7.5
84.08144	1.4
85.10200	2.0
91.05486	5.1
93.07045	9.6
95.04967	2.4
95.08600	6.2
97.06526	3.2
97.10180	2.8
99.08092	2.8
99.34717	1.2
105.07056	3.4
105.83058	1.4
107.08590	8.1
109.10163	16.8
111.08059	2.1
117.07016	2.5
119.08600	2.0
121.10164	2.7
123.11685	1.7
125.09598	2.1
133.10147	4.8
135.11681	2.9
137.09589	2.0
147.11632	1.7
149.13272	4.6
153.09093	1.3
155.10692	2.6
159.11703	7.5
161.13287	2.4
173.11731	6.8
175.31833	1.3
177.12801	4.6
178.58649	1.5
179.14362	2.0
187.28453	1.4
195.13753	2.3
227.12762	1.7
229.14357	30.2
230.14632	1.6
241.16107	1.5
259.20544	1.4
269.17484	35.0
277.21637	7.7
295.22736	1.9
351.25385	14.4
369.26379	11.9
379.17010	2.2
405.22003	2.2
422.16559	2.8
422.22260	52.8
423.16516	7.8
423.23508	100.0
445.88458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	6.8
57.03436	3.9
59.04987	1.3
67.05506	24.3
69.07072	3.8
70.40800	2.8
71.08623	2.0
79.05494	7.5
81.07055	17.1
83.08622	7.5
84.08144	1.4
85.10200	2.0
91.05486	5.1
93.07045	9.6
95.04967	2.4
95.08600	6.2
97.06526	3.2
97.10180	2.8
99.08092	2.8
99.34717	1.2
105.07056	3.4
105.83058	1.4
107.08590	8.1
109.10163	16.8
111.08059	2.1
117.07016	2.5
119.08600	2.0
121.10164	2.7
123.11685	1.7
125.09598	2.1
133.10147	4.8
135.11681	2.9
137.09589	2.0
147.11632	1.7
149.13272	4.6
153.09093	1.3
155.10692	2.6
159.11703	7.5
161.13287	2.4
173.11731	6.8
175.31833	1.3
177.12801	4.6
178.58649	1.5
179.14362	2.0
187.28453	1.4
195.13753	2.3
227.12762	1.7
229.14357	30.2
230.14632	1.6
241.16107	1.5
259.20544	1.4
269.17484	35.0
277.21637	7.7
295.22736	1.9
351.25385	14.4
369.26379	11.9
379.17010	2.2
405.22003	2.2
422.16559	2.8
422.22260	52.8
423.16516	7.8
423.23508	100.0
445.88458	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0691
Annotation	Unknow
Peak:m/z	Relative Intensity
71.07387	100.0
85.02912	66.9
98.52945	60.3
98.82621	58.7
98.97633	71.2
104.03081	60.3
113.65039	61.8
120.08127	76.7
122.66851	67.0
156.31296	66.0
173.07733	62.6
185.56718	64.4
291.03455	63.5
309.09735	75.5
348.01434	66.2
423.07294	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
60.37738	0.4
64.58933	0.5
69.24880	2.8
79.05491	1.1
81.07049	1.1
84.04495	0.5
91.05486	1.4
93.07034	2.7
95.04988	0.7
107.08594	2.0
146.66707	0.6
173.18744	0.5
185.04196	1.2
229.35506	0.6
243.04602	0.9
243.13617	1.0
261.14624	10.1
271.04175	1.5
276.53485	0.6
287.03732	3.0
289.05264	2.5
335.18109	0.6
337.16159	2.2
338.16379	0.5
353.15988	0.7
379.17258	13.8
380.17432	0.8
423.16235	53.7
423.23465	100.0
424.16690	3.4
424.23975	4.7
445.80283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.82950	0.8
63.99717	0.9
67.05499	1.5
68.35030	0.8
69.07072	1.0
91.05484	0.9
93.07017	1.0
95.08586	1.2
100.49548	0.9
101.00879	1.5
103.48891	0.9
132.48372	0.9
177.05479	1.2
186.99565	0.9
218.10422	0.8
230.11890	1.0
271.04285	1.1
287.03873	2.0
337.15671	1.6
379.17209	23.3
380.17731	1.6
423.16263	100.0
423.22928	6.4
424.16525	7.6
426.17123	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00415	1.1
54.52796	1.2
55.01869	3.2
57.07079	2.0
61.01151	7.2
62.54965	1.1
67.64336	1.2
70.61012	1.8
72.04508	11.4
72.08147	1.6
73.02429	1.3
73.02922	3.6
76.92609	1.2
77.00614	1.1
78.03793	17.6
81.03441	1.4
83.04974	1.4
85.02905	10.1
86.06046	2.1
86.09710	2.0
88.02243	5.5
89.46784	1.0
93.06147	1.2
95.04968	2.0
95.83624	1.1
96.08106	1.3
98.02456	1.7
99.04452	5.8
99.05599	2.0
102.03768	26.0
102.04385	2.2
103.02186	2.4
103.03954	17.0
104.04245	1.3
104.18903	1.6
109.02872	5.9
112.07642	1.3
114.03750	3.7
114.05570	2.8
120.04792	5.8
126.05516	22.6
127.03945	5.4
130.08641	1.4
131.06380	12.5
132.04800	14.8
142.08659	5.5
149.07448	56.0
152.07077	1.7
154.08662	4.2
156.06552	1.7
159.05891	5.6
175.05365	2.8
180.06544	13.9
180.80916	1.3
184.09628	2.8
198.07646	4.2
216.08548	1.7
231.11592	2.7
257.09555	1.7
261.12723	4.9
275.10657	3.2
276.27905	1.3
293.11652	100.0
294.12009	4.5
374.95212	1.2
385.40186	1.4
405.16910	30.1
405.21936	2.3
406.17123	2.1
423.16608	3.3
423.22818	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2144
Annotation	Fludrocortisone acetate
Peak:m/z	Relative Intensity
55.55998	2.2
69.97489	6.4
81.26778	2.3
101.06190	2.3
112.49818	2.3
135.40277	2.3
138.38545	2.6
145.06436	2.3
151.28029	2.2
171.48206	2.4
315.76813	2.6
334.56509	2.8
423.21350	100.0
424.21643	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	423.2149
Annotation	4-Methylabyssinone V
Peak:m/z	Relative Intensity
57.03391	3.0
57.07069	3.6
58.79918	3.1
61.71043	2.8
67.05507	15.3
69.07094	3.4
70.06611	3.7
77.11385	2.6
80.67385	2.5
81.07053	6.1
86.48154	2.8
88.07621	5.2
93.07069	4.7
102.09166	3.8
107.08617	3.6
109.10159	8.9
149.02350	18.0
150.02734	7.2
152.61694	2.6
174.14008	2.5
193.04976	22.6
194.05327	10.4
195.09935	4.5
256.26385	8.9
257.26703	6.8
283.22662	3.7
393.25919	3.5
422.29169	3.6
423.22342	100.0
423.27649	63.4
424.22687	6.2
424.28015	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	423.2144
Annotation	Fludrocortisone acetate
Peak:m/z	Relative Intensity
50.39920	3.3
64.41669	3.8
70.27237	8.2
98.23479	5.7
127.98449	3.9
232.17419	3.5
232.37393	3.8
396.24286	4.0
410.36981	4.0
423.22214	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2145
Annotation	4-Methylabyssinone V
Peak:m/z	Relative Intensity
67.05512	20.6
69.66535	26.3
80.70795	6.9
114.70309	7.0
130.80333	6.8
149.02367	11.7
149.32240	7.5
183.13652	8.0
189.99062	7.2
193.05023	17.8
247.51724	7.8
257.26816	7.4
294.54971	7.0
347.15277	8.8
349.16913	8.1
353.29950	7.1
423.21811	100.0
423.27985	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2145
Annotation	Fludrocortisone acetate
Peak:m/z	Relative Intensity
54.97483	5.9
55.05508	8.4
58.72318	5.5
60.44689	4.6
67.05502	15.1
81.07066	8.8
93.07038	6.7
109.10140	7.2
110.71484	5.4
221.35077	5.9
274.76862	5.3
423.21460	100.0
423.26862	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	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05511	1.2
67.05507	1.1
69.07058	0.8
81.07069	1.5
83.08691	0.7
100.11211	1.5
125.09744	0.6
134.81293	0.6
137.91829	0.7
153.10707	0.7
261.14523	0.9
308.49631	0.7
423.23557	100.0
424.24023	8.2
445.08209	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
67.05525	0.8
69.71893	1.3
81.07048	0.5
98.23454	0.4
102.43878	0.4
177.02087	0.4
182.11096	0.4
188.87440	0.4
295.15152	21.0
296.15512	1.1
364.52197	0.5
388.20117	0.4
405.22345	0.8
423.23541	100.0
424.23880	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2355
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
69.39079	1.4
70.06597	1.2
87.91615	0.4
88.07617	1.6
90.76480	0.3
91.19840	0.3
98.23537	0.3
101.90439	0.4
102.09195	1.0
112.86594	0.4
132.49461	0.4
149.02354	4.6
149.03432	0.5
150.02682	2.6
181.65706	0.3
193.04951	5.2
194.05319	2.8
200.52478	0.3
202.59837	0.3
235.43558	0.4
235.66476	0.3
256.26379	1.4
257.26733	2.8
349.20013	0.9
423.23593	100.0
423.29300	9.5
424.23856	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	423.2358
Annotation	Arg Phe Thr
Peak:m/z	Relative Intensity
55.05515	1.6
56.96562	4.6
59.50225	1.1
63.05078	0.9
66.14710	1.0
69.07060	1.5
69.13896	4.9
73.32678	0.9
79.05489	1.5
81.07058	1.9
83.08617	1.2
84.04521	1.1
91.05479	1.7
95.08603	2.0
98.22680	1.5
100.11269	4.0
104.99264	1.0
105.07038	2.0
119.08539	1.4
148.06126	1.8
170.15421	2.6
182.15436	1.7
187.89479	1.1
198.14880	1.7
201.03685	14.2
203.05264	12.8
206.53053	1.0
209.16489	1.4
226.19226	1.4
245.18858	3.2
291.12692	6.3
309.13626	6.5
336.22635	1.7
349.13104	1.5
367.14685	1.7
423.23590	100.0
423.33032	2.8
424.24060	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	423.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93613	1.4
53.03971	1.7
55.05513	31.6
56.96564	15.5
57.03434	11.3
57.07074	10.7
67.05507	7.7
69.06705	2.3
69.07069	32.5
70.49916	1.7
70.50240	1.8
71.08627	8.5
73.76921	1.4
79.05482	5.6
81.07062	10.0
83.08627	25.1
85.10179	1.8
89.06039	3.6
91.05489	2.3
93.07056	8.2
95.04995	1.4
95.08590	6.5
97.06593	1.6
97.10170	17.7
98.10464	1.4
105.06992	6.3
106.07397	2.2
107.08601	7.1
109.10158	3.9
111.11726	4.1
113.00018	72.6
119.08588	3.7
120.08916	1.4
121.10158	7.1
123.08028	2.1
123.11709	1.7
125.06010	1.3
125.13263	2.3
131.08563	2.7
133.08676	1.5
133.10056	1.7
135.11697	3.6
137.09634	2.6
137.13235	2.4
145.10138	1.5
147.11691	3.2
149.13228	2.5
159.11740	1.7
165.09113	12.6
169.02617	73.7
173.13297	3.1
179.14374	2.3
187.03728	5.0
187.14685	1.3
191.66757	1.3
227.07404	1.8
237.22121	5.4
239.14969	2.4
245.08546	2.6
247.10217	1.5
279.95853	1.5
311.25775	100.0
312.26151	8.0
315.19931	3.5
333.21030	5.1
341.17932	1.7
377.19934	14.4
378.19940	1.7
395.21069	52.2
396.21310	4.3
400.21683	11.3
418.22583	11.5
419.23288	2.5
423.22418	2.0
423.31018	5.9
441.24280	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.3
57.07076	2.9
60.03411	1.6
67.05500	6.9
69.07066	6.5
70.07832	1.5
71.05015	2.3
71.08633	2.7
79.05481	7.4
81.07060	16.1
81.48864	1.5
83.08632	3.1
85.06564	3.1
91.05480	6.1
93.07059	8.7
93.58231	1.3
95.04947	1.4
95.08597	12.4
97.06548	1.9
99.08112	2.4
104.65545	1.8
105.07018	8.2
107.08601	7.3
109.06523	16.5
109.10171	5.1
111.08083	3.6
114.09595	1.5
119.08601	8.9
121.10166	5.8
123.08065	33.5
123.08891	2.5
123.11742	2.4
129.06998	2.0
131.08572	4.0
133.10141	4.5
135.08055	7.9
135.11674	2.8
137.09642	5.4
142.07886	2.0
145.10147	4.2
147.11734	2.6
149.09607	1.7
157.10173	4.0
161.13281	2.7
165.09200	1.5
165.12694	1.9
165.23883	1.4
169.10114	1.7
179.14307	53.4
191.14325	1.7
193.15898	2.3
205.15953	2.5
235.78773	1.5
275.20114	2.7
293.21167	2.1
303.26886	2.9
331.26321	26.3
349.27405	5.6
423.31082	100.0
424.31317	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	423.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01890	1.0
55.05514	6.6
57.03445	1.8
57.07078	2.4
57.22252	0.5
60.51922	0.6
64.21329	0.5
65.03951	0.9
67.05512	7.5
67.80032	0.5
69.03441	0.5
69.07068	8.1
69.18833	2.8
69.19246	0.8
71.04999	1.5
71.08646	2.0
75.04499	0.6
79.05497	4.7
81.07064	11.4
83.04987	1.2
83.08634	3.5
83.55189	0.5
85.06543	1.1
91.05490	3.6
91.05998	0.5
93.07050	8.0
95.05005	1.3
95.08609	9.1
97.06529	2.2
97.10155	1.1
98.23512	1.0
99.08131	0.9
105.07043	4.4
107.08599	7.0
109.06519	7.6
109.10171	4.3
111.08102	1.1
113.00056	1.3
117.07060	0.6
119.08579	5.3
121.06530	0.9
121.10153	4.0
122.07300	1.0
123.08080	42.1
123.11745	1.7
124.08400	0.7
129.61176	0.5
131.08594	1.5
133.10100	3.5
135.08073	7.4
135.08936	0.7
135.11739	2.3
137.09650	2.3
137.13260	0.5
139.11284	0.5
145.10152	2.7
147.11673	2.9
149.09630	3.1
149.13286	2.1
157.10268	0.6
159.11751	2.4
161.13316	1.4
163.11224	0.8
165.12791	0.8
168.89561	0.6
169.02650	1.2
171.11736	0.8
173.13284	1.6
174.57594	0.5
175.14796	0.9
177.12761	4.1
179.14323	27.2
180.14670	1.2
181.12234	0.5
191.14299	0.6
193.15945	0.9
205.15962	2.0
233.19064	1.3
247.20708	1.3
263.20120	1.6
275.20078	5.2
289.25436	0.9
293.21194	0.5
303.26807	4.6
311.26093	2.6
313.25244	0.6
331.26337	29.3
332.26730	2.4
349.27536	1.5
367.24985	1.9
405.29858	0.8
406.30975	1.9
423.31192	100.0
424.31427	9.4
443.19412	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.6
55.01884	0.9
55.05511	7.1
57.03429	2.4
57.07071	3.3
65.92119	0.7
67.05502	8.3
69.07071	10.3
69.38596	2.4
71.04985	1.5
71.08626	2.0
72.10101	0.5
79.05503	4.2
81.07059	13.4
81.26324	0.6
83.04974	1.0
83.08612	4.6
85.06578	0.8
89.06036	2.2
91.05484	3.3
93.07036	8.1
95.04987	0.9
95.08614	11.9
97.06544	1.7
97.10186	1.8
99.08121	0.7
105.07051	5.9
107.08595	7.8
109.06531	10.9
109.10152	5.7
111.08091	1.4
117.07025	1.0
119.08576	6.5
121.06525	1.3
121.10147	6.4
123.08073	45.8
123.11719	1.9
124.08389	1.0
125.09686	1.2
128.54803	0.7
131.08577	1.5
133.08627	1.4
133.10139	4.2
135.08069	8.3
135.11658	3.2
137.09627	3.3
137.13297	0.8
145.10110	4.0
147.11742	3.7
149.09608	3.5
149.13258	2.6
159.11725	3.2
161.09676	0.7
161.13232	1.8
163.11273	1.4
163.14807	0.7
165.12788	0.9
173.13290	1.7
175.14851	1.2
177.12737	3.8
179.14307	23.1
187.14786	0.8
189.16298	1.1
191.14218	0.6
193.15945	1.2
205.15872	1.1
233.19063	0.7
239.14914	1.3
247.20535	1.4
263.20050	1.4
269.22745	1.0
275.20023	4.4
280.87372	0.6
287.23413	0.8
289.25244	1.4
293.21146	3.8
303.26904	4.1
331.26328	28.1
332.26715	2.1
349.27393	7.7
367.24814	2.8
405.30002	1.9
407.33606	1.1
423.31073	100.0
424.31436	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	423.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	18.5
57.07077	7.7
67.05495	28.5
69.07060	26.2
69.80780	3.4
71.05009	4.5
71.06418	6.2
79.05482	19.8
81.07057	64.9
83.08598	16.4
85.02892	3.7
85.72394	3.1
91.05476	26.9
93.07038	45.7
95.04995	5.3
95.08607	100.0
97.06478	3.5
97.10156	8.8
97.58134	3.3
100.11271	14.7
105.07027	52.0
105.59411	3.4
107.08597	73.1
109.10159	61.7
111.08073	8.6
117.07025	16.9
119.08575	79.9
121.10140	63.1
123.11724	20.8
125.09605	3.6
129.07007	4.3
131.08565	27.1
133.10124	45.9
135.11694	39.8
137.13263	12.1
137.43668	4.1
142.07890	3.3
143.08577	10.0
145.10130	44.7
147.11687	34.5
149.13248	23.8
157.10104	7.0
159.11682	55.9
160.07640	3.2
161.13286	31.8
163.14807	21.9
169.10300	3.4
171.11748	9.8
173.13252	27.8
174.09102	4.7
175.14801	30.1
177.16374	15.4
179.14302	8.3
183.11690	4.2
185.13255	8.9
187.14821	24.9
189.16376	27.3
191.17921	62.4
199.14807	8.7
201.16428	29.0
203.17944	20.8
205.19463	7.3
210.35809	3.9
213.16403	11.4
215.17957	55.2
216.18378	3.9
217.15984	4.8
217.19484	13.1
219.17441	9.3
227.18007	8.1
227.92340	3.8
229.19475	9.8
231.17509	4.5
231.21170	4.8
233.19072	20.4
241.19559	4.8
243.21049	8.9
245.22621	6.8
253.19542	5.8
255.20938	4.6
269.22635	6.0
274.14362	5.7
285.22327	3.3
297.25806	4.8
362.19510	13.6
405.35123	20.1
406.18661	4.6
423.23969	28.3
423.29016	6.5
423.36212	94.9
423.84268	13.8
424.23282	7.3
424.36212	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	424.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19774	0.6
56.96566	6.5
70.02682	1.8
73.44958	0.8
89.90407	0.7
98.97581	100.0
110.35589	0.7
116.98619	47.4
134.99669	11.6
140.00294	0.8
182.43895	0.8
192.98795	0.7
216.98878	3.7
221.24837	0.7
222.98021	1.1
234.99944	6.8
240.98773	11.8
258.99808	94.6
259.99942	4.8
261.03082	1.6
262.03174	1.0
263.02777	1.1
264.98938	1.3
274.97610	1.6
277.00842	80.6
278.00980	5.1
282.01376	1.2
282.99991	43.3
292.98541	1.0
298.97714	1.4
300.02414	1.3
301.01059	40.8
302.01196	2.1
316.98877	1.4
319.02130	1.5
324.02649	0.9
382.99991	11.5
383.99759	1.7
401.00964	29.5
402.01248	4.3
406.99860	4.1
419.02020	4.5
420.02133	0.9
425.01181	24.3
438.65271	0.7
440.98895	0.9
443.02225	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
57.03413	3.1
57.09929	2.9
59.04964	3.4
67.05505	6.4
69.03432	5.2
69.07056	5.3
71.04985	5.5
71.46836	3.7
73.02889	6.0
79.05473	5.8
81.07044	9.0
83.04975	11.3
83.08607	10.9
84.04459	3.5
85.02898	10.0
86.09700	10.0
91.05443	5.2
93.07039	10.2
95.04967	20.2
95.08580	8.1
97.02918	3.9
97.06525	8.1
99.38528	3.2
105.07037	8.6
107.08612	16.7
109.02924	4.2
109.06494	15.3
109.10168	15.6
111.04432	3.6
111.08097	3.7
119.08599	6.1
120.08124	4.6
121.06506	6.0
121.10136	19.3
123.04395	5.7
123.08063	4.1
123.11707	5.6
125.05940	3.7
125.09616	5.2
127.03909	3.1
131.08559	6.0
133.10129	22.5
135.11678	4.6
136.07561	3.6
139.03934	17.9
141.05423	5.1
145.10132	3.7
147.11713	5.8
149.05994	6.0
149.13210	4.4
151.11176	17.0
153.09091	9.4
155.03368	5.7
158.10870	2.6
163.14857	3.2
167.07036	3.6
167.14284	14.2
172.19434	2.9
173.13283	15.5
177.05420	7.0
183.06564	6.0
184.16934	4.3
191.14342	22.8
195.06540	18.1
209.08073	5.5
209.15381	100.0
210.15759	3.3
227.09171	24.2
227.12822	2.9
227.16537	13.3
245.13942	3.0
263.28934	2.9
274.20105	12.6
313.73535	3.1
365.05411	7.0
368.67264	3.5
424.16116	11.9
424.22107	3.4
425.12692	4.6
425.17853	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.5
56.69513	2.2
57.03438	2.9
60.18149	2.3
67.05508	4.0
69.03421	4.1
69.07072	6.1
69.59352	9.3
71.04986	2.7
73.02914	3.7
73.42624	2.3
75.74446	3.1
76.47129	2.4
81.07055	7.3
83.04986	9.6
83.08622	11.1
85.02914	11.4
86.09717	6.0
91.05496	5.1
93.07046	8.3
93.21268	2.2
95.04977	20.7
95.08620	7.3
97.02902	4.5
97.06503	6.2
99.04456	4.6
99.08094	2.9
105.07047	7.2
107.08596	15.2
109.06522	9.0
109.10164	13.5
111.08109	5.8
113.09659	3.0
115.07536	2.4
119.08617	4.8
121.06525	4.5
121.10155	15.0
123.08037	2.6
127.03952	3.2
133.10144	19.4
135.08113	3.5
135.11681	3.7
145.10173	3.1
147.11670	3.5
149.13243	5.8
151.11186	16.1
153.09148	8.9
163.14923	3.1
167.14342	10.5
173.13272	15.1
184.17021	5.0
191.14288	17.7
209.11932	3.8
209.15376	100.0
227.16489	10.6
251.26074	2.8
272.96390	2.9
274.20114	6.2
424.16028	12.8
425.17932	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14226	1.2
55.01855	1.9
55.05516	6.6
56.05034	2.1
57.03444	2.2
57.07074	1.5
60.04524	35.7
61.02913	3.7
65.30061	1.4
67.05505	10.1
69.03425	11.0
69.07066	6.8
70.06596	7.3
71.01343	1.2
71.04986	3.4
72.04520	1.3
73.02888	1.9
79.05476	5.0
81.03412	4.2
81.07058	10.2
83.04992	1.8
83.08630	3.9
85.02902	27.5
85.06561	1.6
86.06047	1.5
86.09729	1.5
87.04464	3.1
91.03945	1.4
93.07043	6.4
95.08611	14.3
97.02901	8.3
97.06522	1.6
97.10192	1.6
102.05557	1.5
107.08598	3.7
109.02924	3.0
109.10151	7.2
120.08096	2.1
121.08456	1.9
121.10136	4.2
121.57903	1.3
123.04459	1.5
123.11726	2.3
127.03908	7.0
135.11688	2.7
145.04929	2.8
159.13824	2.0
185.95308	1.2
201.05478	1.4
208.20580	2.8
214.21619	4.3
224.10988	1.7
226.21666	21.4
227.21980	1.5
244.22720	26.6
245.23125	2.1
262.23773	100.0
263.24115	5.7
286.23636	2.2
287.05551	4.2
298.09055	1.4
299.05496	3.8
304.24835	4.2
353.22937	1.3
362.19363	2.8
379.03265	2.2
380.20691	1.9
388.27078	1.8
397.04855	1.9
406.27713	4.3
424.20029	2.2
424.29044	74.5
425.08777	3.1
425.17786	45.9
425.29538	6.1
437.20367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.8
57.07078	71.2
62.17701	1.1
69.07070	6.4
69.28631	6.7
71.08636	50.4
73.06547	1.9
80.54741	1.2
81.07062	2.2
83.08614	2.9
85.10188	32.0
87.04494	2.3
89.06034	100.0
91.05479	1.7
95.08626	1.6
97.10166	5.9
98.22678	1.8
99.11745	6.7
100.57697	1.1
107.07080	1.6
107.38639	1.1
111.11723	5.1
113.13279	4.8
121.10139	1.4
123.78645	1.1
133.08612	63.5
134.08963	1.4
151.09679	4.5
161.82477	1.3
165.09131	4.8
166.09497	3.6
177.11220	18.4
195.12279	3.7
221.13834	3.1
239.14911	49.7
240.15260	2.1
244.53264	1.2
247.09868	1.6
257.24841	4.6
291.04413	1.2
301.27365	3.2
319.27914	1.4
363.31116	1.8
407.33679	60.4
408.34280	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30424	0.8
56.96576	1.0
57.48740	0.8
59.58009	0.7
62.14539	1.0
65.15965	0.9
70.96885	1.8
78.03793	0.9
98.97620	1.0
134.28062	0.9
143.30234	1.0
163.11250	0.8
165.08861	0.8
234.18733	1.0
293.09958	2.4
295.11472	0.9
407.16556	1.1
425.08325	20.1
425.14639	100.0
426.08789	1.6
426.14764	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27566	0.6
51.90488	0.6
57.59593	0.8
69.56800	0.9
69.57188	1.7
75.77792	0.6
78.65051	0.5
81.03463	0.8
81.23089	0.6
82.99824	1.6
94.93015	4.7
96.92815	1.6
97.02873	1.1
98.22732	1.1
101.00880	13.1
112.89594	2.7
113.00880	1.9
114.89378	1.1
119.01927	18.3
127.02441	2.4
131.01921	8.6
137.02965	1.1
139.02402	1.7
143.01900	30.3
144.01994	1.4
145.03476	8.4
149.02866	0.8
155.01903	13.1
156.02057	1.4
156.88562	1.1
157.03445	4.8
161.02963	45.0
162.03085	2.9
163.04565	1.2
167.01888	8.4
169.03531	3.8
171.05011	1.9
173.02960	18.8
175.04506	1.7
179.00510	0.6
179.01909	4.0
179.03737	0.6
185.02943	32.5
185.04149	1.6
186.03094	1.8
186.91768	1.5
187.04439	3.5
191.04007	3.9
197.02968	13.0
199.04675	0.8
203.03871	11.1
204.04185	1.2
209.02914	1.5
212.85133	3.8
215.04001	6.2
216.04175	0.7
218.92223	0.8
221.05026	1.5
227.03984	7.6
233.04897	0.7
244.90143	2.3
244.92302	1.6
245.05072	100.0
246.05257	6.9
246.90018	3.1
252.94548	2.0
257.05087	5.2
263.06131	25.7
263.08923	1.2
264.06277	1.8
275.06125	13.3
276.06320	1.0
278.92563	0.8
284.89465	1.2
286.07306	0.7
286.89166	1.1
288.89194	0.8
290.89038	1.2
290.92712	0.7
293.07236	4.8
300.86734	6.3
305.07159	7.9
306.07263	1.1
310.86847	0.8
317.07138	0.7
326.84720	2.8
335.08218	3.3
337.65021	0.7
365.10178	14.4
366.09900	1.3
367.11151	1.1
383.10321	1.2
425.06567	2.8
425.11462	4.2
426.16632	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	425.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92598	0.4
58.04280	0.5
69.31265	2.5
70.99853	0.7
72.55894	0.4
75.27321	0.5
81.03427	0.6
82.99876	1.7
94.93020	0.8
97.02876	1.1
101.00878	16.1
112.89594	2.1
113.00872	3.6
114.89331	0.7
119.01924	22.1
120.02058	0.9
127.02411	3.2
129.00340	0.8
131.01921	8.2
137.02954	1.6
139.02414	1.7
143.01906	35.7
144.02051	1.6
145.03459	9.2
145.97343	0.5
147.01358	0.9
153.03979	0.6
155.01897	14.5
156.02020	1.0
157.03470	6.8
160.94003	0.5
161.02960	47.8
162.03111	2.0
163.04509	1.2
165.00018	0.7
167.01891	9.1
168.01930	0.5
169.03452	3.0
171.05038	1.6
173.02963	17.7
174.03107	1.4
175.04514	1.3
176.99968	0.6
179.01892	4.8
181.03424	0.8
184.04488	0.8
184.31516	0.5
185.02954	31.8
186.03101	2.0
186.91612	0.8
187.04485	3.5
191.04016	4.5
197.02951	14.2
198.03110	0.8
203.03934	14.3
208.04591	0.6
208.67744	0.5
209.02994	0.8
212.85216	1.2
215.04019	5.6
221.05104	1.3
227.03972	6.9
239.03922	1.3
244.90086	0.7
245.05070	100.0
246.05275	7.7
257.05060	6.0
263.06116	26.2
264.06207	1.5
275.06110	14.3
276.06256	0.7
283.25656	0.5
293.07205	3.8
300.86658	1.3
305.07175	10.3
306.07349	0.8
317.07303	0.9
323.08298	0.6
332.05890	0.6
335.08240	3.4
365.09567	9.6
366.09406	0.8
425.06482	0.8
425.11508	5.6
426.16638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1418
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
58.42525	0.3
70.06347	0.7
70.11703	0.3
79.65541	0.3
84.25391	0.3
100.98493	0.3
118.90967	0.3
119.59435	0.3
141.08388	0.3
176.08931	0.3
186.90706	0.3
226.99954	0.3
273.78961	0.3
293.09912	1.8
299.04498	0.3
311.09775	0.4
312.64792	0.3
425.14105	100.0
426.09473	0.3
426.14441	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	425.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37086	1.4
58.13353	1.6
65.90022	1.5
71.45119	1.2
72.49671	1.4
98.97557	1.9
129.35840	1.7
214.47148	1.8
219.01711	1.5
237.02814	2.5
295.76086	1.5
354.70786	1.6
355.12692	1.3
425.08435	11.3
425.15457	100.0
426.15826	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1574
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.64974	0.5
55.05511	0.6
57.83295	0.5
61.02951	0.5
69.37912	2.2
77.95534	0.5
85.02905	0.7
98.23474	0.9
105.07058	0.6
127.11143	0.9
132.65807	0.5
263.12540	1.9
275.20160	0.6
425.15738	100.0
425.21121	4.0
426.15973	7.7
426.21185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1575
Annotation	7,8,3',4'-Tetramethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
50.19176	2.3
55.05499	2.3
69.37386	5.1
69.37777	4.6
81.07047	2.3
83.60921	1.8
91.05478	2.5
94.10697	2.1
95.08591	2.9
107.08647	2.4
121.10186	3.3
126.57674	1.9
133.10104	2.4
133.86682	1.9
136.07719	2.1
141.88344	2.1
144.51947	2.1
145.02875	3.7
145.10115	2.1
147.04471	3.9
177.05531	6.9
249.16158	2.1
257.90012	2.0
263.10471	27.6
273.49820	2.0
282.45651	2.9
425.15796	100.0
425.20496	4.1
425.25275	6.0
426.15857	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1743
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91995	0.2
61.01133	0.7
65.03934	0.8
65.47469	0.2
67.05490	0.3
69.98331	0.3
69.98671	0.5
71.09585	0.2
72.04516	1.4
73.02895	0.2
78.03790	0.6
84.75112	0.3
85.06538	0.3
86.09657	0.2
88.02217	1.3
91.05479	6.9
99.05547	0.4
102.03764	1.5
113.05975	0.4
114.03739	0.8
119.04944	20.4
120.05233	0.4
124.07610	0.3
131.06390	1.2
132.04811	1.5
142.08629	1.2
147.04405	100.0
148.04701	2.8
149.07433	8.2
164.06946	0.3
175.05391	0.3
184.09613	0.4
212.53088	0.3
218.08118	13.9
219.08452	0.8
243.11534	0.5
253.52907	0.2
261.12686	6.8
262.12967	0.3
267.40631	0.3
277.10257	0.5
295.11108	14.5
296.11313	0.7
349.40457	0.3
407.16351	10.2
408.16638	0.8
425.20926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.3
62.18823	0.7
62.68907	0.7
63.00854	0.6
67.05495	0.9
69.07072	2.3
69.28351	3.1
81.07050	4.4
91.37327	0.7
95.08597	1.5
98.22752	1.1
100.11239	0.9
124.87853	0.7
127.00047	0.9
143.01942	0.9
153.97786	0.7
185.04251	0.8
227.05437	1.0
243.04782	1.0
245.06335	3.4
271.04208	1.1
287.03729	1.9
289.05289	13.2
313.16922	0.8
339.17795	2.1
381.18826	21.3
382.19095	1.5
425.17804	100.0
426.18112	7.2
426.25903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37709	0.4
55.05510	0.6
56.26408	0.4
59.54026	0.4
64.45499	0.5
67.05500	0.6
68.46877	0.5
69.07066	0.6
69.60311	1.9
70.15954	0.4
71.08639	0.5
72.87234	0.5
77.07775	0.5
78.39263	0.4
81.07037	0.5
86.23434	0.5
94.53964	0.5
98.22678	0.5
100.11252	1.1
110.97399	0.5
141.27190	0.5
145.03430	0.5
170.15448	0.8
182.15448	0.6
188.66861	0.5
221.05083	1.5
309.71765	0.6
319.52682	0.6
339.17685	3.5
381.18829	26.7
382.19220	1.5
425.17828	100.0
426.18192	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	425.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12850	0.7
57.04512	0.7
69.07056	1.2
69.97461	1.0
69.97775	1.5
79.05505	1.8
81.07059	6.4
82.07426	0.8
88.48104	0.8
91.05503	1.1
93.07000	0.8
95.08600	2.1
98.23379	1.6
101.00874	3.0
109.10126	1.3
110.80947	0.8
119.01917	7.4
141.97336	0.8
143.01863	4.1
157.03545	1.6
161.02925	4.0
165.09108	7.7
168.99806	1.1
175.04469	1.2
185.02913	1.4
185.41074	0.9
187.00894	3.6
201.03685	1.5
203.03798	1.5
203.05457	2.0
227.05222	1.4
229.01878	2.2
243.04755	12.1
245.06284	8.0
263.16415	2.3
271.04260	2.4
287.03723	100.0
288.04044	3.0
289.05295	88.6
290.05643	2.2
381.18738	4.7
407.22388	0.9
425.17789	97.6
425.24084	4.6
426.18152	6.6
435.69324	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.1
58.19691	1.0
67.05511	1.1
69.36808	5.7
81.07049	6.8
95.08604	2.8
100.11285	1.8
101.00897	2.9
102.78107	1.2
109.10129	1.2
119.01933	5.7
121.10152	1.3
143.01903	5.2
157.03500	3.5
161.03003	3.7
167.03201	1.5
175.04552	1.8
187.00928	3.4
203.05264	3.5
215.45233	1.3
227.05212	2.5
229.01831	2.6
245.06348	9.8
271.04263	1.8
289.05295	73.8
290.05670	2.8
290.85046	1.1
381.18536	8.3
425.17786	100.0
425.24918	20.7
426.17978	4.9
426.25949	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1786
Annotation	Tyr Trp Gly
Peak:m/z	Relative Intensity
55.05502	0.7
56.05052	0.3
60.04521	0.4
67.05493	0.7
69.03413	0.5
69.07052	0.5
69.29948	1.8
73.02894	0.5
81.07073	0.4
81.58331	0.3
83.08597	0.4
85.02896	1.2
95.08601	0.5
97.02917	0.6
100.11253	0.8
109.10090	0.3
111.04429	0.6
115.11188	0.6
130.06505	0.6
145.05035	0.4
154.12291	0.7
163.30998	0.3
182.11780	0.8
182.15488	0.4
210.14980	1.0
250.81117	0.3
262.23804	0.7
263.12720	0.6
263.24109	0.7
305.10416	0.4
337.21295	0.4
408.28760	0.8
425.17810	100.0
426.18143	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1782
Annotation	(-)-3'-Methoxy specinonin
Peak:m/z	Relative Intensity
56.96569	0.5
81.03430	0.4
81.81242	0.3
85.02903	0.5
90.81676	0.3
91.32117	0.4
95.04960	0.4
97.01081	0.4
98.97593	0.5
110.05943	0.3
110.97565	0.3
111.14027	0.3
139.03899	0.7
140.04234	0.7
141.05493	0.4
141.35043	0.4
147.04395	0.4
149.05957	0.6
161.01047	0.4
182.08949	0.3
184.06976	0.3
195.06537	1.0
196.06903	1.1
203.05287	0.4
210.08444	0.4
213.51096	0.3
219.01799	0.5
227.09190	1.0
228.09543	1.3
237.02809	0.4
239.02357	0.4
245.11565	0.9
259.37183	0.3
263.12558	1.1
306.47034	0.3
306.51071	0.4
339.07263	0.3
365.05389	2.2
367.13498	3.4
407.09540	0.7
423.16180	0.4
425.17816	100.0
426.18158	6.2
426.23764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1784
Annotation	Piscrocin G
Peak:m/z	Relative Intensity
54.46532	0.3
67.05495	0.7
67.22045	0.3
69.07067	0.3
74.79370	0.3
74.79782	0.3
81.07044	0.9
85.02911	0.4
95.08604	0.7
97.14638	0.3
105.72849	0.3
107.08534	0.3
109.10145	1.0
123.04455	0.7
127.03909	0.6
137.02341	1.1
139.03900	1.1
145.88501	0.3
147.04459	0.4
166.03883	0.4
177.05336	0.3
209.18977	0.4
227.20128	0.6
229.14230	0.8
245.21078	0.5
262.23593	0.5
263.12610	1.2
271.06033	0.4
287.05502	14.6
288.05939	0.7
299.05481	1.7
343.01132	0.4
379.03339	0.8
407.07608	0.4
425.17792	100.0
426.18109	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2072
Annotation	Alstiphyllanine A
Peak:m/z	Relative Intensity
53.91090	0.4
55.05530	0.6
59.26670	0.4
62.59232	0.3
65.03948	0.8
67.05206	0.3
67.05522	1.6
69.04258	0.4
69.07078	0.8
71.47511	0.5
79.05505	1.1
81.07059	2.0
84.04501	6.0
85.02910	0.6
86.09707	5.1
89.03909	5.9
89.04385	0.5
89.56740	0.4
91.05482	4.6
93.07050	1.2
95.05006	0.4
95.08627	1.6
97.06568	0.5
100.11301	0.6
102.05556	2.0
103.12346	3.2
103.57416	0.4
105.07010	0.6
106.04160	0.8
107.08576	0.7
109.02859	0.4
109.10164	0.9
117.03381	20.2
119.04943	11.9
121.06547	0.6
128.10654	0.5
129.10262	0.7
130.05000	3.5
134.03636	1.6
135.04373	0.6
135.08003	0.6
135.11710	0.7
137.07106	2.1
138.10881	0.5
145.02850	59.2
146.03212	1.8
147.04407	60.3
148.04750	1.8
148.06062	3.6
149.05991	6.6
159.11803	0.5
161.13249	0.6
177.05473	100.0
178.05809	3.1
186.05562	1.2
232.13324	1.3
249.15979	34.1
250.16324	1.7
261.22192	0.5
262.84256	0.4
269.11270	0.5
275.13889	2.1
279.17041	27.6
280.17377	1.4
305.14932	1.7
407.29001	0.6
408.27353	0.6
424.78101	0.5
425.20547	12.2
425.25122	1.6
426.21170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.1
57.06273	8.1
57.07092	8.5
58.73761	9.0
61.01158	15.1
62.99084	16.2
67.05502	16.1
67.66534	7.5
69.07072	27.2
69.72961	23.0
70.08442	10.5
79.05515	24.1
81.07071	39.9
83.08595	11.6
91.05487	11.7
95.08617	29.1
98.23424	10.2
105.00087	99.5
105.07010	45.1
107.08595	11.1
109.10193	17.1
118.20606	8.9
119.08538	11.7
121.10152	12.7
123.01125	100.0
125.06009	22.3
133.10118	20.8
135.11728	12.9
139.03578	10.3
145.10103	11.6
147.11656	12.1
161.09669	9.0
161.13202	8.6
180.53391	9.4
255.85699	9.0
257.22678	15.3
262.98047	9.4
282.92371	10.7
283.17130	19.8
285.22208	53.4
286.22501	16.8
292.56909	10.1
329.58981	9.1
340.23410	10.5
391.24469	20.3
402.97964	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	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
69.28403	26.3
73.36212	5.6
86.09738	7.6
95.08634	9.1
98.23393	12.9
119.08622	8.6
121.10172	10.6
126.02921	12.8
130.88008	5.7
139.03725	21.8
147.11687	7.0
148.12071	6.7
153.01584	46.4
156.04019	7.3
169.04796	8.8
201.57452	5.9
224.13925	7.3
251.12589	26.6
269.13586	47.6
283.16916	11.9
284.17276	31.2
295.15195	22.8
309.16577	14.5
337.16171	15.7
339.23401	8.3
340.23599	24.7
391.24686	19.4
407.24100	56.1
425.14996	100.0
425.25620	37.1
425.31897	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	425.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00839	6.3
70.27478	2.7
71.46460	2.9
72.37463	2.6
73.96565	2.3
83.01094	4.8
90.75170	2.2
112.69237	2.5
126.02890	19.4
129.54803	2.6
139.03651	25.6
152.80006	2.5
153.01591	100.0
181.08453	3.3
183.53937	2.4
194.97372	2.7
195.09819	3.4
199.08063	2.9
223.13019	4.8
224.13826	12.4
239.12590	5.5
267.72733	2.3
269.13651	9.6
351.27524	2.3
407.24042	6.7
425.24261	37.7
426.35660	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	425.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00854	1.3
67.05506	1.1
69.07076	1.0
77.00921	2.1
79.05547	0.8
81.23506	0.9
95.01937	1.7
109.21374	0.9
126.02895	4.2
131.76880	0.9
137.19507	0.8
139.03687	5.2
145.10077	1.0
173.13318	0.9
179.10565	1.5
202.93097	1.1
207.09966	3.3
224.13817	2.5
251.12593	6.9
263.16324	1.4
269.13660	0.9
274.90616	0.9
307.15265	2.8
309.16721	6.5
348.29218	0.9
361.22379	1.5
379.23929	1.9
384.23932	2.4
391.24548	100.0
392.24814	5.8
402.24814	7.2
407.24054	57.9
408.24411	3.8
425.26630	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2513
Annotation	Briarellin N
Peak:m/z	Relative Intensity
52.37292	0.3
65.01234	0.4
70.55357	0.3
71.22149	0.4
93.91550	0.3
97.40514	0.4
105.11654	0.3
147.51859	0.4
149.20206	0.4
149.64360	0.3
200.73102	0.4
325.72980	0.4
425.25116	100.0
426.25436	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31286	0.4
54.48458	0.4
54.69202	0.4
54.87755	0.4
55.62482	0.4
69.63219	1.4
75.78669	0.4
98.22755	0.8
98.79734	0.4
103.89471	0.4
214.82947	0.4
350.61249	0.4
350.79913	0.4
425.25122	100.0
426.25369	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01268	1.5
55.05497	2.2
57.07073	1.9
64.80096	2.0
64.80439	1.9
66.89194	1.5
67.05495	3.5
69.48447	3.2
69.48844	5.2
79.01628	3.2
81.07077	3.5
83.01119	4.8
84.81806	1.8
86.09730	7.4
87.10059	2.0
95.08633	1.7
96.01873	51.0
97.02643	25.3
105.07014	3.2
109.10162	2.2
111.08154	2.1
113.02148	7.5
121.10167	4.4
122.10535	2.0
132.10829	2.0
133.10214	2.1
147.11763	5.1
148.12006	3.0
156.03929	29.0
167.10661	2.1
169.04739	30.5
176.11620	3.5
183.06299	4.3
188.03014	6.0
191.10417	2.9
211.09459	4.4
213.07315	1.8
223.13121	6.2
225.11188	2.2
239.08838	2.2
239.12485	2.7
240.13380	11.1
254.14905	3.4
255.12131	5.0
269.13531	15.2
281.13626	5.9
283.16998	10.0
284.17303	22.0
295.15134	26.7
299.14655	4.0
313.16040	9.1
319.15396	2.5
326.28485	1.9
337.16220	54.7
337.20142	2.9
339.23251	5.6
340.23557	14.0
407.24246	7.1
408.25125	5.3
425.25134	100.0
426.16934	2.2
426.25485	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	425.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	12.4
57.07063	6.0
57.11548	2.8
61.84140	3.1
62.37540	2.7
62.90096	2.8
67.05504	30.2
69.07072	26.7
69.27064	15.1
70.26345	3.1
79.05064	4.7
79.05475	21.6
81.07056	72.6
83.08606	9.5
86.09718	3.2
91.05476	18.6
93.07056	32.3
95.08607	65.1
96.20537	2.8
97.10186	7.6
98.06039	4.2
105.07019	43.0
107.08593	42.5
109.10151	60.0
110.33949	2.9
111.11726	5.4
117.06963	5.8
119.08582	45.3
121.10141	41.7
123.10933	4.2
123.11682	24.5
124.03965	4.3
131.08589	16.6
133.10133	37.3
135.11708	30.1
137.13251	10.1
145.10085	22.9
147.11673	36.9
149.13261	35.7
159.11678	14.0
161.13252	49.9
163.14845	23.0
165.12773	21.6
173.13257	18.0
175.14830	20.3
177.16367	15.2
179.14308	100.0
184.07399	4.6
187.14825	11.1
189.16365	14.9
191.14304	58.9
192.14560	4.4
193.15887	8.3
201.16380	11.3
203.17906	3.6
205.15817	11.2
207.17461	18.0
215.17963	13.2
218.68510	3.4
219.17415	5.7
231.21222	4.2
233.18988	7.3
247.20404	3.6
261.25821	3.0
271.24216	47.2
289.25262	83.1
290.25690	5.7
322.30899	4.6
331.87769	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	425.3417
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
55.05510	4.0
57.07066	2.6
62.97020	0.7
67.05500	7.2
69.07068	10.1
69.69917	1.4
69.70284	2.3
71.08624	1.6
71.22602	0.6
77.96481	0.7
79.05489	2.9
81.07056	16.0
83.08614	3.1
91.05489	1.4
93.07032	3.1
95.08609	11.2
97.10159	1.8
105.07050	0.9
107.08611	2.7
109.10149	10.2
111.11723	1.5
111.83513	0.6
113.00020	2.6
119.08544	3.8
121.10159	2.0
122.07305	0.9
123.08054	0.8
123.11693	2.8
126.16833	0.6
126.80915	0.8
133.10185	0.8
135.08044	1.5
135.11681	1.3
137.09602	10.6
137.13269	1.7
149.09625	3.8
151.07564	1.4
159.11652	0.8
163.07510	0.8
165.09119	100.0
166.09445	3.8
169.02612	4.3
173.09622	0.7
175.07605	1.1
175.11172	1.2
177.09111	3.0
179.10612	1.0
184.07321	1.0
187.11200	0.9
189.09132	2.6
191.10652	3.0
203.10666	4.7
203.14415	0.9
205.12239	4.4
208.60951	0.8
209.56949	0.8
217.12280	1.5
219.13725	1.1
231.13721	1.3
245.15417	1.0
254.01234	0.9
304.51724	0.8
313.27332	1.3
340.76614	0.7
425.21445	4.1
425.34067	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	426.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77694	8.4
61.38139	7.5
67.53033	8.4
69.64330	31.4
84.91161	14.9
85.08473	8.5
94.93008	70.7
96.92829	24.8
112.89605	100.0
114.09163	7.9
114.89342	73.1
141.99936	8.5
160.94011	9.1
161.67033	7.8
173.03032	9.4
186.03123	17.2
186.91734	31.7
196.87715	9.8
202.89201	21.4
208.97260	9.8
212.85144	66.2
214.84998	56.1
232.92186	14.8
237.78926	8.2
242.88435	10.3
244.90172	11.6
245.05048	13.3
246.05264	37.1
246.89926	25.1
247.52522	7.9
248.89647	20.9
250.89319	12.6
268.91968	15.6
290.88870	8.8
294.90060	21.9
300.86823	17.9
301.18951	8.5
301.87039	12.9
302.86600	48.7
310.87277	11.1
328.84534	18.9
426.07544	13.5
426.16879	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21741	0.8
54.28139	0.6
55.01878	1.4
55.05509	2.4
55.71541	0.7
57.03435	10.3
59.04990	1.0
61.02913	2.7
67.05499	3.3
69.03425	7.1
71.01385	0.8
71.04993	60.1
72.05338	1.3
73.02916	11.5
75.04471	4.0
81.03409	1.9
83.04987	8.1
83.08630	1.5
85.02905	100.0
86.03239	1.2
87.04475	2.3
91.03964	1.4
97.02894	13.4
97.10180	1.4
99.04453	1.7
103.03967	1.7
105.19339	0.8
109.02893	2.9
109.10155	4.1
111.04420	5.3
115.03922	3.6
127.03922	9.2
129.05479	37.2
130.05865	0.8
133.04945	5.5
139.88989	0.8
145.04948	13.4
146.08191	1.3
147.06522	25.0
155.10664	1.1
163.05972	5.7
164.09183	7.6
165.07660	1.0
173.11852	1.9
184.01337	0.9
223.06163	0.8
229.14380	7.5
255.08687	2.0
259.08167	1.9
273.09732	1.6
285.88181	0.8
309.11819	1.9
342.36969	0.9
426.17300	0.8
427.17349	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.1
55.01867	7.7
55.05510	9.4
55.99079	2.2
57.03425	8.0
57.07066	9.1
61.02919	6.4
67.05509	3.2
68.73061	2.1
69.03430	46.3
69.07068	65.7
69.62328	9.1
71.04993	6.5
73.02905	7.5
73.96227	2.3
81.03417	28.0
81.07060	3.2
83.08618	24.4
84.39581	2.7
85.02906	100.0
87.00832	43.3
88.17263	2.5
88.17791	2.0
92.13650	2.0
97.02892	31.3
97.03483	2.4
99.04494	11.5
105.01868	62.8
109.02878	45.3
114.09161	5.0
117.01854	2.6
125.13291	7.0
127.03918	93.6
127.04875	4.6
127.11172	7.8
143.14317	63.6
144.14732	2.2
145.04968	22.6
147.02885	2.5
159.02934	8.7
161.15376	10.2
213.03922	7.8
231.05020	46.0
249.06131	8.5
251.16354	3.3
264.19620	4.3
296.06183	2.4
312.94302	2.3
344.98761	2.1
355.17355	5.2
370.66757	2.8
380.20352	2.3
409.76981	2.2
426.16360	4.2
426.21887	11.0
427.10934	2.4
427.19400	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	426.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.4
55.01873	3.6
55.05521	9.2
57.03447	3.1
57.07074	6.1
58.02966	2.4
61.02934	3.5
67.05516	2.5
68.99794	1.1
69.03432	22.6
69.03793	1.8
69.07069	30.8
69.11166	1.3
69.50551	2.9
69.50941	3.3
70.06599	1.6
71.05009	2.7
73.02919	8.2
73.06570	1.6
76.41729	1.4
79.05479	1.6
81.03425	15.7
83.04993	2.2
83.08622	16.9
85.02909	55.3
87.00826	22.6
92.97742	1.2
97.02907	15.8
97.10173	3.8
99.04456	7.7
100.11273	6.3
105.01871	32.9
105.02536	2.6
109.02878	19.9
111.04467	1.8
114.09161	7.1
115.03938	2.0
125.13293	2.6
127.03914	51.3
129.01875	1.7
133.04997	2.4
142.08615	6.3
143.14316	36.5
145.04961	14.7
158.43199	1.4
159.02948	4.7
161.15395	3.0
163.05971	2.0
179.10562	1.4
182.15463	2.9
209.16493	1.7
210.14955	3.9
213.03952	3.6
231.04991	17.5
249.05988	2.9
251.16512	2.3
341.15659	5.1
373.18747	2.0
378.00577	1.6
383.16949	12.2
394.77570	1.4
426.12057	3.1
426.16736	2.4
426.21503	2.0
427.16864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01870	8.9
55.05513	31.0
57.03437	22.6
58.99125	1.7
59.05000	3.2
61.02676	1.8
61.02932	20.9
61.68793	1.5
67.05506	19.9
69.03431	33.9
69.07075	16.6
69.22403	10.2
71.01363	4.7
71.04987	3.8
73.02919	100.0
79.05489	1.5
81.03416	7.6
81.07069	3.9
83.04966	1.7
83.08614	3.3
85.02907	76.5
85.06527	2.9
85.48806	1.6
87.04463	5.7
91.03944	3.5
91.05483	2.5
93.07066	2.9
95.04984	3.0
95.08600	6.9
97.02895	57.7
97.10175	70.9
98.10492	1.9
99.04469	3.5
103.03944	4.9
103.73935	1.5
105.07086	2.5
107.04842	1.8
107.08588	3.9
109.02888	6.3
109.10161	21.5
110.29199	1.7
111.08089	3.0
115.03931	33.7
115.07612	2.2
115.11208	59.6
119.08601	2.3
121.10148	3.2
123.04422	3.4
125.09618	1.9
127.03912	27.1
127.11208	1.9
133.04967	38.7
133.10164	1.9
137.09589	2.4
139.11224	2.2
140.56557	1.5
141.05481	2.4
143.10634	5.6
145.04968	34.4
150.07645	5.2
155.10680	5.2
161.11745	3.5
163.06038	18.5
173.11743	7.2
183.10161	2.4
188.09235	1.6
193.05048	2.5
193.12300	2.3
199.06020	3.2
205.12236	2.5
211.13281	5.4
217.07085	1.9
223.06046	6.9
223.13295	6.9
229.14339	46.4
230.14720	2.4
241.07137	7.6
241.14381	5.9
247.15385	4.4
259.08105	14.3
277.09149	2.7
277.16443	6.0
295.10309	4.5
324.79797	1.7
426.16211	3.8
427.18710	4.8
448.83612	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	2.1
57.03437	9.2
61.02920	1.3
69.03439	3.8
70.06592	6.3
70.84498	0.8
71.01368	0.8
71.04994	67.6
71.06939	1.6
73.02930	2.5
75.04482	4.4
81.03425	1.2
83.04983	8.7
85.02907	100.0
86.03267	1.0
86.09704	1.7
87.04461	2.2
91.03966	0.8
97.02895	5.2
98.97614	0.7
99.04452	0.9
101.37463	0.7
103.04004	0.8
109.02895	2.4
111.04448	5.4
116.07104	1.1
125.09647	1.3
127.03914	7.1
129.05481	41.6
130.05820	1.1
145.04967	9.2
147.06522	26.0
160.07622	0.7
163.06035	3.3
164.09216	5.2
165.07607	1.7
169.13414	1.6
197.12871	1.9
198.13173	1.1
199.07591	3.0
234.27197	0.7
246.11362	1.1
255.08792	2.8
263.15005	1.0
264.12302	1.4
265.14053	0.8
273.09695	3.5
278.18097	0.8
309.11865	3.1
311.21735	0.8
339.16589	0.8
351.17819	2.0
355.18372	0.7
369.15228	1.8
409.18210	0.9
426.15961	13.4
427.19476	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	1.4
57.03437	4.5
57.07077	19.1
59.54307	0.6
62.05778	1.3
62.06091	25.1
62.08405	0.6
66.47418	0.6
67.05508	4.5
69.07079	3.6
69.11028	4.2
71.08639	13.5
77.05390	0.7
81.07048	5.1
81.15083	0.6
83.08610	2.0
83.37836	0.6
84.08985	0.7
85.10182	6.6
95.08610	8.2
97.10163	1.8
98.98473	5.3
109.10158	4.1
111.11686	1.6
123.11678	1.8
137.13269	0.7
142.02618	1.5
155.01030	4.9
193.19589	0.8
198.05353	1.2
211.20532	1.7
216.06377	2.3
229.21729	0.9
229.95671	0.7
254.24785	10.1
257.39035	0.7
285.24246	100.0
286.24716	5.0
340.18808	0.6
343.50974	0.6
365.20795	7.1
408.25003	2.9
426.26007	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92803	0.2
55.05509	2.6
57.03444	8.2
57.07080	23.3
58.10814	0.2
60.05651	2.6
62.06094	0.3
67.05508	5.6
69.06709	0.4
69.07072	5.8
71.04997	0.3
71.08636	15.7
72.08962	0.4
72.66096	0.2
75.04475	0.6
77.52976	0.2
79.05472	0.8
81.07063	6.9
83.08627	2.6
85.06527	0.4
85.10184	8.7
89.06033	2.0
90.39843	0.2
93.07044	0.7
95.08609	11.1
95.09217	0.6
97.10178	2.4
98.23487	0.6
98.98479	0.5
99.11777	0.3
101.06100	0.3
103.07581	1.5
104.99269	0.6
107.08604	0.4
109.10165	4.0
111.11714	1.5
114.10777	0.2
117.09091	0.4
121.10139	0.3
123.11717	1.8
124.01603	0.3
124.03957	0.3
131.10696	0.3
135.11647	0.3
137.13251	0.9
140.14304	0.3
149.16544	0.2
154.12201	0.3
187.16910	0.3
194.43704	0.2
211.20584	2.4
216.06302	0.4
226.60899	0.3
229.21629	2.4
236.93976	0.3
254.24809	2.6
262.98138	0.5
275.20169	0.4
285.24252	100.0
286.24606	4.7
292.22714	0.4
334.23877	0.3
384.49899	0.3
408.27682	0.5
426.16235	0.3
426.28662	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02548	0.3
55.05512	2.7
57.03440	8.7
57.07078	21.7
58.07428	0.3
60.05650	1.9
67.05505	4.8
69.07072	6.8
69.69477	1.1
71.08634	15.8
75.04498	0.3
76.45444	0.3
81.07058	6.3
81.51485	0.3
83.08615	3.1
85.06540	0.4
85.09698	0.5
85.10185	8.4
89.06022	1.7
93.07063	0.5
93.14245	0.3
95.08611	9.5
97.06549	0.4
97.10175	2.4
103.07584	1.4
104.99241	0.4
109.10168	4.4
111.11717	1.4
117.09168	0.4
123.11724	2.0
125.09648	0.4
137.13254	1.1
211.20560	2.0
229.21590	2.3
235.62611	0.3
254.24762	2.5
262.98163	0.4
285.24243	100.0
286.24567	5.2
291.72684	0.3
299.63385	0.3
344.98685	0.4
367.24866	0.4
405.49228	0.3
426.28406	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2641
Annotation	Lythranidine
Peak:m/z	Relative Intensity
52.01921	0.1
53.03931	0.1
55.05515	0.2
67.05514	0.2
69.07067	0.4
70.51490	0.1
70.70947	0.2
78.03438	0.8
79.05484	0.3
80.05016	3.0
81.07057	0.5
83.08607	0.3
88.29349	0.1
91.05463	0.2
92.53925	0.1
93.07056	0.2
95.08607	0.4
96.04497	1.8
97.06577	0.1
104.99280	0.1
105.07033	0.7
107.08567	0.2
109.10145	0.2
119.08540	0.2
121.10145	0.1
124.03953	100.0
125.03526	0.1
125.04310	1.8
125.05976	0.9
125.13201	0.1
131.08557	0.3
133.10114	0.4
140.03430	0.1
145.10130	0.2
147.11688	0.3
151.07565	0.1
151.14882	0.1
159.11710	0.2
161.09622	0.7
163.14841	0.1
173.13245	0.1
175.11217	0.3
179.10703	0.4
187.14877	0.1
193.12245	0.2
201.16408	0.1
215.14360	0.1
221.15282	0.1
225.42276	0.1
257.22629	0.5
259.43805	0.1
265.80981	0.1
285.22180	0.9
380.25876	0.3
408.25314	2.6
409.25616	0.2
425.16830	0.1
426.16489	0.4
426.26282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2642
Annotation	Lythranidine
Peak:m/z	Relative Intensity
50.01612	0.3
51.02370	0.6
55.05509	0.4
57.07066	0.7
67.05494	0.7
69.07067	3.6
69.39362	0.5
69.39774	1.0
78.03452	2.5
79.04210	0.3
79.05497	4.1
80.67840	0.3
81.07062	3.7
83.08619	0.8
91.05470	1.1
93.07043	1.2
95.04953	0.4
95.08614	1.7
96.04491	23.7
97.04835	0.4
97.06528	1.2
97.10162	0.5
104.99273	0.3
105.07030	2.3
106.02893	1.7
107.04964	0.7
107.08616	1.1
109.06497	0.5
109.10147	0.8
111.04449	0.4
117.07031	0.5
119.06055	0.3
119.08576	1.1
121.10117	0.6
123.11725	0.4
124.03951	100.0
125.04342	1.4
125.05981	6.2
125.13232	0.4
131.08557	0.7
133.06461	0.4
133.10127	2.3
137.06013	0.4
145.10120	0.7
147.11694	0.7
151.07535	0.3
159.11655	0.5
161.09631	4.5
161.13306	0.5
165.96643	0.2
171.11734	0.3
175.11174	3.3
175.14804	0.3
179.10699	1.8
189.12704	0.6
193.12244	0.8
203.14276	0.4
207.13879	0.3
221.15421	0.6
229.15858	0.4
239.59158	0.3
257.22614	0.5
262.97995	0.4
267.21100	0.5
285.22229	0.7
303.23096	0.5
341.16928	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	426.358
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53953	2.1
63.49514	2.5
67.05478	3.4
69.07069	4.9
81.07085	5.0
89.14595	2.3
95.08636	4.0
96.04520	3.4
104.99296	2.7
105.07037	5.5
107.08608	4.0
109.10181	6.0
119.08596	3.1
121.10162	2.7
124.03953	100.0
125.04344	3.4
132.27841	2.8
133.10153	2.4
147.11606	3.2
173.13278	2.4
179.14308	5.5
191.14264	5.0
215.18015	2.3
227.39113	2.3
271.24249	2.9
289.25247	4.8
330.91400	2.3
338.85953	2.2
347.27521	2.5
391.31583	2.3
392.81805	2.2
426.17273	2.9
435.88498	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	427.1377
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
51.80651	0.9
56.96574	2.3
57.07014	0.9
63.07793	1.0
69.15586	2.7
69.15997	3.5
70.06582	1.4
98.97597	2.9
104.99261	1.5
126.44038	0.9
132.92851	1.1
193.05351	1.6
205.05322	1.5
205.68802	1.0
211.06366	1.6
223.06383	7.7
235.06313	1.2
237.02751	1.5
241.07527	3.2
247.06461	2.9
253.07565	3.2
262.98129	1.8
265.07489	8.7
271.08414	2.0
283.08655	7.3
307.09045	1.3
325.10553	2.9
331.37439	1.5
367.10699	7.5
427.13422	100.0
428.13803	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	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.1
57.03441	0.3
57.04554	0.5
69.62213	0.2
69.62601	0.4
70.06584	0.8
72.08163	0.4
81.07029	0.1
86.09715	0.3
94.04060	1.2
96.05627	0.2
106.04089	0.2
112.05092	0.2
116.07099	0.2
117.03404	0.2
119.03562	0.2
121.05046	0.1
123.04471	0.7
123.06644	0.6
133.05099	0.5
135.04457	0.2
135.05377	0.2
139.03915	1.3
145.02849	1.0
147.04344	0.2
148.06198	0.2
149.07057	0.1
150.07751	100.0
151.06332	0.1
151.08200	1.7
163.03905	0.7
167.03458	0.2
177.05481	2.0
185.09224	0.2
191.03383	0.3
201.05420	0.2
203.03461	0.3
213.12296	0.2
229.04919	0.2
233.04456	0.3
245.04344	0.2
247.06026	0.2
256.12891	0.1
257.04443	0.2
258.04962	0.2
275.05527	0.6
282.12018	0.6
287.05582	0.7
295.11496	23.3
296.11765	0.9
301.07162	0.2
340.11945	0.2
409.09293	0.5
427.09863	0.2
427.19916	0.3
449.09045	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	427.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65525	1.0
57.02932	1.0
67.05496	1.4
69.07083	0.9
69.43996	4.9
80.94858	1.8
81.07044	1.2
90.14566	0.9
98.36274	0.9
104.99243	6.6
113.69167	1.0
117.41558	1.0
161.03050	1.1
176.07126	2.1
201.05290	3.1
216.07571	29.0
217.08261	3.7
219.06276	1.7
262.98193	4.2
300.22232	1.3
344.98492	2.2
384.25504	1.4
426.35861	1.5
427.17334	100.0
428.17523	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	427.1733
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
54.28251	0.7
62.39288	0.7
66.41881	0.6
68.89857	0.7
70.06579	1.3
71.01881	1.1
101.78060	0.7
103.75431	0.7
107.04960	1.8
137.84587	0.8
177.05467	0.9
201.05630	0.8
247.07677	0.8
247.13216	1.5
257.06155	0.9
265.14185	1.4
274.06171	0.8
295.09811	1.4
307.09656	3.7
325.10553	1.7
427.18323	100.0
428.17883	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	427.1732
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
65.73607	0.6
66.03931	0.6
67.91586	0.5
83.08630	0.9
85.02898	1.6
91.05408	0.7
100.11242	0.8
103.69411	0.6
105.01827	0.5
114.09173	0.9
127.03928	1.0
147.04404	0.7
156.13884	0.7
203.12727	0.7
210.14941	0.9
265.14056	0.9
362.77917	0.6
383.16669	2.1
386.71841	0.5
409.20892	0.7
427.17264	100.0
428.17612	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	427.1735
Annotation	Parvixanthone I
Peak:m/z	Relative Intensity
56.96550	0.8
57.23068	0.6
58.37122	0.7
65.61348	0.7
67.05495	0.7
68.85139	0.6
70.82137	1.1
70.82510	0.9
71.04982	1.2
71.59696	0.7
73.02905	0.8
80.89125	0.6
85.02895	3.9
97.02899	1.0
100.11218	0.8
104.10683	0.7
118.98218	0.7
129.05455	1.4
129.97328	0.7
145.02840	0.7
147.04396	0.9
156.86057	0.8
163.56023	0.7
177.05482	2.2
229.14445	0.8
230.14789	1.5
247.13072	0.7
275.06992	0.8
325.10779	0.8
397.20886	0.8
427.17313	100.0
428.17529	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	427.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85580	0.3
55.45954	0.3
69.68216	1.1
69.68583	0.8
70.06597	9.1
72.08144	0.5
85.04702	0.4
86.09718	0.8
88.07635	4.5
89.03901	4.1
91.05476	3.1
93.07010	0.4
98.97553	0.5
105.10268	1.1
107.52892	0.4
117.03384	16.4
119.04948	7.0
123.99185	0.4
134.03624	1.0
135.04414	0.7
145.02847	53.8
146.03212	0.9
147.04411	27.1
148.04768	1.0
149.05989	4.8
163.03896	0.6
167.85406	0.3
177.05469	100.0
178.05820	2.9
185.16602	0.4
186.05519	0.7
204.10168	3.0
216.10077	0.6
217.67352	0.4
233.12871	6.3
234.11272	1.3
245.39742	0.4
246.11223	1.4
251.13913	4.1
263.13913	32.3
264.14218	1.5
277.11896	0.4
281.14941	8.4
282.15149	0.4
409.17633	9.6
410.16489	0.5
427.19202	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	427.1967
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
55.01867	3.4
55.05515	4.7
67.05511	3.6
69.03427	9.2
69.07066	3.8
70.06615	2.8
71.46120	3.0
72.08157	3.8
73.41871	2.2
75.04327	2.2
77.38747	2.7
79.05500	3.1
81.07056	5.7
83.04987	7.5
84.08122	4.9
85.02896	5.4
86.09683	4.4
91.05488	8.8
93.07037	8.7
95.04957	4.5
97.02903	3.8
105.07045	9.7
107.04984	3.8
107.08593	10.9
109.02892	10.8
109.06523	5.7
109.10137	2.8
111.04468	6.0
113.47101	2.2
117.03387	4.2
117.07038	3.6
119.04931	4.2
119.08594	9.7
121.06507	19.1
121.10148	3.1
123.08078	3.6
129.20688	2.7
131.08540	6.6
131.13194	2.4
133.06560	2.5
133.10168	2.8
135.04451	2.5
135.08043	24.5
137.05983	12.0
143.08589	5.5
144.09314	3.0
145.02852	19.8
145.05116	2.7
145.06470	3.3
145.10120	6.1
147.04405	14.8
147.05432	2.7
147.08063	3.2
149.05962	3.2
149.09592	11.0
159.08078	5.0
159.11717	13.8
162.06798	8.8
163.07593	12.1
163.11179	4.1
171.04457	3.8
172.08852	3.0
173.09641	11.4
173.13277	17.9
177.05481	26.3
186.10440	7.0
187.11194	41.8
191.07033	9.8
201.12733	29.3
203.14363	3.1
205.12201	11.6
211.11194	3.2
219.08095	9.0
219.13820	7.0
229.12242	44.6
230.12610	3.5
247.07825	13.3
247.13304	100.0
248.13661	5.1
263.13968	7.3
265.14215	5.2
275.07004	7.4
289.08582	2.9
295.09753	4.5
307.09784	16.5
313.07120	3.9
325.10696	23.9
427.18430	4.8
427.22952	10.0
441.35901	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01798	0.9
55.05436	0.9
69.88108	2.0
70.09169	0.6
86.09592	1.0
98.22797	0.9
98.33983	0.8
100.11240	6.3
102.04578	1.7
104.99174	0.7
105.06928	1.1
115.05345	1.5
119.04848	0.8
122.03531	2.0
124.05201	0.7
129.10094	0.9
130.04155	6.3
133.06384	1.6
135.04195	0.6
137.05975	30.1
138.06227	0.8
143.04785	2.5
145.02711	1.8
146.03485	1.2
147.04419	8.9
150.06763	3.5
155.04781	0.8
161.05972	7.5
162.06761	33.4
163.06972	1.8
163.66556	0.7
171.04405	16.4
177.05359	1.5
183.04419	7.1
189.06897	2.5
190.07793	4.5
191.08559	7.7
201.05305	1.2
201.06963	1.6
202.07680	2.4
203.08400	0.7
203.12714	0.9
205.06389	2.2
207.08063	5.4
208.08839	0.8
217.06491	1.2
218.07254	5.0
219.08046	30.9
220.08302	1.4
221.06029	1.4
222.06673	1.1
229.06317	1.3
229.14317	0.8
230.14622	1.0
231.08051	0.7
233.05893	1.7
234.06628	2.0
235.07507	6.2
236.08159	2.8
246.06694	2.7
247.07542	48.9
248.08015	3.3
249.08942	1.2
251.10724	1.1
252.07745	0.9
257.05930	1.9
258.06808	1.5
261.08966	2.1
262.06192	1.6
263.06979	3.6
264.07855	5.3
265.08557	2.7
267.10077	1.2
274.06259	2.3
275.07013	37.3
276.07562	4.0
277.05258	1.0
277.08572	7.6
279.10181	7.9
289.08676	3.8
292.07263	4.0
295.09680	8.7
307.09641	52.8
308.10062	3.2
325.10690	100.0
326.11035	4.9
397.21402	2.2
427.17081	1.8
427.22433	25.9
427.36459	6.7
428.22635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01867	1.9
55.05257	1.2
55.05509	16.6
57.03423	3.5
58.00756	0.9
59.04996	3.3
60.28691	0.9
61.02937	5.1
67.05494	2.6
69.03426	18.7
69.07057	7.4
69.28770	4.9
71.04996	2.8
73.02898	2.8
79.05484	2.5
81.03406	6.0
81.07065	6.2
83.01355	0.9
83.04977	21.2
83.08611	2.4
85.02903	43.5
85.06526	1.3
86.03201	1.3
86.09682	1.1
87.04451	3.4
91.03960	2.2
91.05479	3.0
93.07038	7.8
95.04967	26.5
95.08611	6.8
97.02892	11.6
99.04453	2.0
99.08100	0.9
101.06013	13.0
105.07028	5.0
107.08581	9.7
109.02894	4.6
109.06519	9.3
109.10139	9.4
111.04398	1.2
117.07043	1.6
119.04931	1.6
119.08572	6.4
121.06490	2.9
121.10118	6.7
123.08047	2.7
123.11744	4.5
125.05992	1.5
125.78091	0.8
127.03914	8.2
131.08569	3.7
133.10126	3.3
135.08047	7.3
135.11697	7.7
137.05983	1.0
137.09576	2.1
139.07539	1.2
143.08571	1.9
145.04980	4.8
145.10117	5.9
147.11703	5.6
149.09604	3.7
151.07571	1.9
157.10106	1.1
159.08052	3.0
159.11684	3.9
161.09636	3.3
161.13277	1.5
163.11162	7.3
163.14845	1.4
165.12756	61.8
166.13103	2.2
171.11739	1.9
173.09616	1.5
175.14789	1.2
177.09116	6.9
177.12613	1.3
177.16370	1.6
179.10841	1.0
187.14810	5.4
189.12735	3.9
191.10666	6.7
201.16441	2.1
205.15892	7.6
211.14909	1.1
211.41591	0.9
217.15742	1.4
219.17415	1.9
229.15865	5.2
247.16931	36.4
248.17468	1.5
265.17987	100.0
266.18356	3.9
308.90134	1.0
320.35153	1.0
409.21967	2.4
427.18619	2.4
427.23663	11.3
428.24072	1.4
443.23526	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84896	1.0
69.07071	1.0
69.56508	2.7
69.56900	2.0
74.61970	0.9
81.07040	1.0
89.58738	1.0
95.51306	1.0
98.22742	1.8
104.99271	2.9
121.10139	1.1
225.54849	1.0
262.98105	1.4
316.58603	1.0
427.26666	100.0
428.27118	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
63.10489	0.2
69.63441	0.9
71.64970	0.2
93.07022	0.3
104.99313	0.2
136.75433	0.3
173.78773	0.2
229.07632	0.2
262.98328	0.3
336.36545	0.3
360.98016	0.3
367.17944	0.9
427.26666	100.0
428.18280	0.3
428.27020	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	427.2824
Annotation	Methylgraviphane
Peak:m/z	Relative Intensity
54.76614	0.7
57.07071	2.2
65.50931	0.7
69.07053	1.2
69.32522	2.1
69.32938	2.6
75.41801	0.7
77.64713	0.7
79.05489	0.9
81.07032	1.1
85.10159	0.9
120.15283	0.8
125.05790	3.4
133.10146	1.1
161.09608	1.2
196.41817	0.8
221.48500	0.8
230.24797	3.0
231.25252	1.2
315.27921	1.6
325.21350	15.9
326.21692	1.2
366.23975	3.1
426.46661	5.5
427.28171	100.0
427.46692	4.3
428.28488	9.7
447.76602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32510	0.2
59.01025	0.1
60.31683	0.1
63.02389	0.3
69.03436	0.2
69.15041	1.0
70.04550	0.1
72.08157	6.2
85.02924	0.2
89.03906	2.5
89.04395	0.3
90.09183	0.4
102.32472	0.2
102.81489	0.1
106.04122	0.2
111.12061	0.2
117.03380	10.1
118.03721	0.2
121.26724	0.2
127.03916	0.2
134.03638	0.8
135.04405	0.4
145.02844	38.6
146.03168	1.2
149.05981	3.7
163.03917	0.4
177.05466	100.0
178.05792	3.6
266.13834	3.2
267.14191	0.2
311.35132	0.1
321.09659	0.7
339.10712	0.8
428.19034	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45244	0.3
56.40997	0.3
57.03444	0.4
61.02931	0.7
69.03423	1.3
69.07079	0.3
70.06586	1.1
72.08153	12.9
81.03436	0.4
85.02910	3.0
86.06049	0.5
89.03905	2.2
90.09200	1.2
91.03922	0.3
97.02906	1.0
109.02843	0.4
117.03374	10.4
122.05991	0.6
127.03899	0.8
134.03635	0.5
135.04405	0.8
137.05913	0.4
145.02841	46.2
146.03156	1.7
147.04413	0.6
149.05974	4.5
149.07062	0.5
163.03900	0.4
177.05466	100.0
178.05794	3.9
186.05466	0.6
188.06992	0.4
266.13861	36.5
267.14178	1.7
428.13766	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14116	1.0
52.87828	0.9
55.05507	7.5
55.25451	1.0
57.03439	6.5
57.07073	1.9
67.05497	6.8
69.07063	15.1
69.99657	0.9
71.04986	2.4
71.45593	1.4
79.05487	3.7
81.07053	12.6
83.04987	2.3
83.08172	1.8
83.08617	16.3
85.06522	1.2
87.04476	1.5
91.05490	2.4
93.07047	12.4
95.08592	6.0
97.02888	2.0
97.06529	7.8
97.10177	2.6
102.44169	1.1
105.06998	2.6
107.08576	10.9
109.10154	3.8
111.08057	4.6
121.10155	5.5
122.61066	1.2
123.11684	1.4
125.09629	2.2
131.08525	1.9
133.10107	2.7
135.11638	1.7
149.13263	23.9
159.11707	4.3
161.09581	1.4
167.14325	8.3
177.12677	1.8
195.13737	2.4
213.14879	1.7
221.68417	1.2
231.15877	21.2
256.19031	1.7
269.17484	3.7
282.92194	1.2
287.18509	100.0
288.18835	5.7
383.95801	1.4
384.16913	1.5
428.15549	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26627	0.3
55.05497	0.9
56.05038	0.3
56.24400	0.3
60.07872	0.4
60.08161	6.5
68.86832	0.3
69.07061	0.3
69.93429	0.9
70.06584	1.1
71.07378	2.3
72.08154	0.6
79.05492	0.4
81.07059	0.4
82.29181	0.3
83.08613	0.7
86.09707	30.8
87.10021	0.5
92.06942	0.3
93.07032	0.5
97.10165	1.7
98.98464	2.5
104.10747	3.1
107.08559	0.4
120.08089	0.5
121.10136	0.3
125.00005	20.6
125.09619	1.2
184.07339	100.0
185.07657	1.4
189.11226	0.7
219.14854	0.3
232.45389	0.4
245.13855	0.8
287.14862	1.0
353.03000	0.3
410.19217	1.0
428.20569	5.6
429.20908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.01870	5.5
57.03435	15.7
59.04999	1.8
61.02691	1.5
61.02937	14.7
67.19089	1.2
67.92542	1.3
69.03426	30.5
70.71538	2.0
71.01344	4.4
71.04991	2.8
73.02917	73.1
77.01510	1.2
79.05498	1.2
81.03410	7.1
82.65697	1.6
83.23342	1.2
85.02903	100.0
87.04446	3.7
91.03956	6.4
97.02256	2.3
97.02894	46.8
99.04478	3.5
100.15820	1.4
103.03962	3.2
109.02870	8.5
111.04393	1.3
115.03929	19.8
127.03020	2.8
127.03916	32.5
133.04964	31.7
145.04956	51.5
149.04813	1.3
163.06020	27.2
181.04947	1.7
193.04956	1.7
199.06044	1.4
217.07228	1.6
223.06032	5.5
239.52570	1.4
241.07071	4.8
253.40042	1.5
259.08304	7.8
277.09225	1.4
279.18015	3.9
295.10196	5.4
342.50763	1.4
390.73221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	1.7
54.62269	1.1
55.01878	2.4
55.05525	1.2
57.03437	21.6
57.07078	1.4
61.02932	9.1
67.05509	1.4
69.03433	32.2
70.99821	1.2
71.01363	2.5
71.05003	2.6
73.02919	42.7
81.03426	8.4
85.02908	100.0
86.03251	1.3
87.00841	6.6
87.04476	4.1
91.03961	4.9
93.98647	1.1
97.02896	41.6
97.66525	1.1
99.04464	7.3
103.03972	1.6
105.01878	11.9
109.02874	10.8
115.03941	27.2
126.05571	1.2
127.03922	37.9
130.48616	1.0
131.08513	1.1
133.04973	12.9
145.04962	50.2
150.07643	3.6
159.02954	2.8
163.06020	20.1
173.40651	1.2
189.03986	1.0
223.06123	3.2
231.04997	4.4
241.07094	3.9
249.06027	2.1
259.08133	3.1
279.17923	5.5
295.10303	2.8
315.10504	1.2
325.63553	1.2
367.24658	2.2
411.86646	1.1
428.13318	1.2
428.18793	1.6
429.16422	3.1
429.25107	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	428.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.7
55.27862	2.0
57.03446	5.4
57.07078	37.4
66.08378	2.1
67.05505	10.7
69.07067	12.6
71.08270	2.6
71.08638	29.5
76.36798	2.0
79.05516	2.5
81.07053	18.3
81.98108	2.4
83.08619	8.8
85.10197	16.5
86.09702	2.3
87.04478	3.5
93.07056	3.1
95.08624	21.0
97.10183	5.1
98.23509	4.5
98.98470	60.6
101.16814	2.3
109.10138	10.9
119.08630	2.7
123.11739	4.0
155.01036	100.0
173.02007	3.1
203.72427	2.3
239.23689	19.8
313.27396	48.1
393.24017	46.7
394.24295	3.5
411.32529	2.9
429.33130	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	428.96
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95612	1.0
86.90913	2.4
94.93016	53.9
96.92852	1.2
112.89611	8.9
114.89343	6.6
116.89087	0.8
117.71261	0.8
120.12542	0.8
136.94040	1.4
150.91928	2.4
160.93979	0.9
196.87842	1.0
198.87656	1.0
206.88603	14.0
212.85254	5.2
214.84937	1.5
228.09267	1.0
228.24921	0.9
231.61496	0.9
232.92282	3.3
234.83481	1.0
248.89644	100.0
249.89926	1.1
263.60889	0.8
268.92038	6.8
269.11514	0.9
294.89920	5.7
300.86816	1.0
311.01395	0.8
326.83057	1.0
328.92773	0.9
368.84024	1.1
372.91290	1.0
415.59824	1.0
437.06113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1526
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
65.83026	0.5
69.79633	1.5
70.48570	0.4
81.07058	0.5
85.02886	0.5
86.09718	0.8
113.29379	0.5
128.45248	0.4
136.06416	0.4
165.93417	0.4
197.42014	0.4
217.04764	3.9
219.06200	0.6
232.07068	39.7
233.07481	2.2
234.60965	0.5
245.07921	0.9
250.08327	0.5
267.15436	0.5
381.12836	0.6
398.13239	0.8
399.14154	0.6
429.15173	100.0
430.15448	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	429.1525
Annotation	5,4'-Dihydroxy-3,6,3'-trimethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
59.22879	0.7
62.21185	0.7
66.36897	0.9
69.70014	2.6
112.29285	0.9
118.38794	0.9
190.44485	0.9
201.05217	0.9
214.89539	0.9
217.04652	3.3
232.07066	35.1
233.07681	2.4
245.07932	1.3
295.17365	0.9
331.28610	1.0
418.29190	1.0
429.15213	100.0
429.27179	16.3
430.15173	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	429.2614
Annotation	Graviphane
Peak:m/z	Relative Intensity
53.81038	0.8
56.64686	0.7
62.91212	0.9
67.05470	0.9
69.07058	1.8
69.32581	4.2
72.97507	0.8
79.05461	1.1
79.58733	0.8
81.07042	1.7
83.08601	0.9
91.05427	1.0
95.08592	1.0
105.07010	1.3
107.08615	1.1
109.10184	1.3
119.08591	0.8
125.05936	1.3
127.03671	61.3
128.04019	1.2
149.02316	1.2
168.06288	0.9
179.01611	0.8
256.21210	0.9
277.65710	0.8
325.21396	8.9
326.01550	0.8
326.21475	1.2
429.26111	100.0
430.17679	1.1
430.26483	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	429.2615
Annotation	Graviphane
Peak:m/z	Relative Intensity
67.05525	2.0
69.07050	2.4
69.53305	3.0
69.53697	2.5
74.45987	1.2
79.05482	2.3
81.07041	4.1
83.08634	1.5
91.05453	1.4
93.07039	3.5
95.08597	3.0
105.07057	1.3
107.08602	3.0
109.10165	1.7
113.00018	8.9
119.01908	1.6
119.08578	2.0
121.10111	2.3
124.03979	2.2
127.03680	100.0
147.07996	1.2
149.34254	1.5
168.06381	2.3
169.02626	8.9
325.21375	25.9
326.21622	2.9
366.24072	4.2
429.26093	64.6
430.26349	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	429.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
62.73572	0.8
65.94485	0.9
69.30015	4.3
79.81351	0.9
81.07053	1.7
91.05508	0.8
93.07054	1.1
93.73173	0.9
95.08625	1.6
123.08097	0.9
129.41402	0.9
151.07529	7.6
154.09235	0.9
165.09160	1.0
174.57509	1.0
191.10698	3.6
205.12251	1.5
290.40607	1.1
358.46198	1.1
396.53848	1.0
429.28232	100.0
430.28506	7.2
454.99399	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91489	0.7
69.36620	0.7
69.89365	1.3
69.89705	1.8
75.39449	0.8
81.07071	0.9
100.53293	0.8
139.31342	0.9
142.51770	0.9
184.99886	0.9
210.59724	0.8
220.91992	0.8
293.76178	0.9
429.18149	2.7
429.28238	100.0
430.28470	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13899	0.7
56.96574	0.8
58.20634	0.8
65.85827	0.7
71.45114	0.8
73.04752	1.0
81.03416	2.1
85.02932	1.6
91.05495	3.0
93.07044	5.8
95.04968	1.8
98.97584	1.2
103.05499	3.4
116.98605	1.1
120.08105	12.5
121.06514	100.0
122.06850	2.3
122.59731	0.7
136.06184	6.1
138.09149	31.3
166.08652	7.2
180.08859	1.0
274.14493	1.3
302.13934	1.4
342.12350	0.8
430.13919	1.1
430.19116	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.0
57.03444	1.7
58.06598	1.0
67.05492	3.9
69.03426	0.7
69.07086	3.4
69.30743	2.0
69.31149	1.3
70.06595	7.7
71.04988	0.9
72.08147	1.6
81.07054	6.5
83.08611	3.0
86.06065	1.8
86.09698	1.2
91.05490	1.8
93.07044	1.3
95.05006	0.7
95.80953	0.7
96.88100	0.7
98.06022	0.8
99.04448	0.7
100.11252	12.2
105.07024	1.3
107.08546	1.6
109.10152	5.1
110.81165	0.8
115.08652	0.8
123.11706	8.7
133.10133	5.5
145.49591	0.6
150.12782	0.9
151.11160	4.4
155.01608	1.5
167.01532	0.9
168.13838	19.6
169.12323	1.2
169.14134	0.8
186.14896	27.7
187.15308	1.0
192.97139	0.7
195.04771	1.6
196.93134	0.8
204.15956	100.0
205.16254	3.4
209.16528	1.6
224.59894	0.7
227.17499	9.4
300.13705	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17756	2.0
55.05515	4.6
57.03174	3.6
57.03438	41.7
57.34462	1.7
60.04508	2.7
61.02933	13.4
67.05498	5.4
69.03429	40.1
69.07082	5.3
70.06603	13.3
71.01337	4.3
71.04999	2.3
71.06889	2.2
72.08157	8.9
73.02916	100.0
81.03419	3.4
81.07054	7.4
83.08624	3.1
84.04514	2.4
84.08146	5.6
84.08978	1.7
85.02900	53.0
86.06041	2.6
86.09702	15.2
87.04469	4.2
97.02890	54.6
99.04513	2.2
100.11256	19.1
101.11561	3.0
107.08589	2.4
109.02859	2.8
109.10158	4.9
114.01900	2.0
115.03119	4.5
115.03924	67.6
120.04459	74.3
123.11725	8.7
124.12052	3.5
127.03925	9.8
130.05042	1.9
132.06573	8.0
132.26228	2.1
133.05000	11.5
133.10143	6.8
134.10495	3.7
145.04951	23.8
147.04385	3.2
148.03894	2.0
150.07605	19.2
151.11148	5.0
162.05499	4.9
163.03860	2.2
163.06024	7.5
164.07062	2.9
168.13815	22.0
169.12173	3.1
169.14194	6.5
186.14896	31.0
187.15219	11.2
192.41420	1.8
204.15944	90.7
205.16299	32.2
208.93854	2.1
209.16557	4.8
223.05855	2.1
227.17503	13.8
228.17900	6.7
241.07115	2.5
246.14203	3.6
246.48354	1.9
259.08237	2.5
270.11282	5.0
282.09720	7.0
299.05374	3.2
299.12262	1.9
300.13745	2.6
301.14105	2.7
301.78815	2.1
325.07114	2.7
353.06158	2.2
431.19757	2.2
432.16397	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	431.1719
Annotation	13alpha-Acetoxypukalide
Peak:m/z	Relative Intensity
69.07051	2.3
69.62810	4.5
69.63180	3.4
76.81108	2.1
79.05497	2.8
91.05470	3.4
93.07027	2.4
95.08643	2.7
96.95785	3.2
97.09048	2.2
98.97614	2.8
100.03956	2.2
114.64092	2.2
116.98631	2.4
119.08595	2.3
147.11696	2.2
189.99150	9.2
203.00009	2.6
208.00258	5.7
216.10516	2.2
221.00890	2.3
222.45007	1.9
239.99174	2.4
242.00029	2.4
251.05672	4.8
259.20377	2.6
265.07217	5.1
273.07877	6.8
273.70859	2.1
291.08795	11.9
298.17001	2.3
302.07928	4.5
306.07550	4.1
320.09003	5.0
333.19000	2.6
334.07025	26.4
343.10873	2.2
349.16910	3.4
352.07968	2.2
353.14355	2.3
367.17856	2.3
371.15060	100.0
372.15353	8.1
387.27310	6.0
389.16125	52.0
412.17551	3.0
413.16159	7.8
431.17117	48.1
431.29828	2.5
432.16895	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1721
Annotation	13alpha-Acetoxypukalide
Peak:m/z	Relative Intensity
55.01857	5.2
55.05510	4.4
56.96569	9.3
67.05495	6.7
69.07052	5.4
70.06602	1.6
79.05475	5.6
81.07044	7.3
83.08607	3.0
85.00467	1.7
91.05470	7.3
93.07018	7.5
95.04963	1.8
95.08607	8.2
97.06523	5.0
97.10153	1.9
98.98448	12.0
105.07050	6.3
107.08583	5.5
109.10177	2.9
119.08601	12.0
120.96661	3.5
121.10124	2.7
128.98599	4.4
133.10185	2.6
135.08121	2.2
135.11661	2.3
137.15512	1.9
145.10110	1.9
147.11661	3.1
153.02251	2.5
159.11693	1.9
161.13165	2.1
171.03290	2.4
171.11685	2.0
177.08553	1.8
185.04817	2.6
195.00209	2.1
199.06435	2.0
203.57278	1.9
213.08067	2.9
217.07501	3.6
229.07440	2.3
241.19342	2.6
254.33276	1.9
259.20612	6.7
277.21643	4.6
291.08630	2.1
293.06580	2.4
293.10333	1.8
302.18774	1.7
311.25723	5.6
315.16055	3.5
321.16937	2.3
331.15668	8.7
333.17224	3.6
333.24091	7.6
349.16870	39.7
351.25046	8.3
367.17944	37.9
368.18518	2.4
369.69290	2.1
371.15067	73.0
372.14847	2.8
372.18814	3.2
389.16150	24.8
390.19711	3.6
412.17725	6.7
413.16046	13.4
431.17062	100.0
431.21915	10.3
432.17395	5.4
449.18240	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	431.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	2.8
69.50478	9.9
70.27237	1.9
79.05488	3.0
96.95757	2.4
140.62622	1.9
148.21645	2.1
181.60008	2.4
189.99001	3.1
194.70010	1.9
221.01132	2.4
251.05803	3.9
265.07156	2.1
273.07730	4.4
277.93454	2.1
291.08829	5.6
328.89108	2.1
331.15768	2.6
333.06033	2.8
334.07034	3.5
349.16724	11.0
351.20084	4.1
367.14392	2.2
371.15073	100.0
372.15347	5.9
389.11816	4.5
389.16507	19.4
390.16083	2.2
410.22931	3.5
413.16254	24.1
431.12753	12.2
431.18005	33.9
432.20602	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	431.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18047	0.5
65.56667	0.4
67.05507	0.5
70.78688	0.9
84.08125	0.9
86.09681	1.0
91.21196	0.5
98.97573	3.8
116.98613	1.8
137.05981	0.5
145.09680	0.7
158.99675	1.7
167.07167	0.6
175.04047	0.5
177.00717	0.9
177.05562	0.6
219.01813	0.8
229.10373	0.6
251.09731	1.2
267.09317	0.5
269.10675	0.6
269.13638	1.9
287.08984	0.7
288.02124	0.5
299.05353	1.1
371.13858	2.9
431.18884	100.0
432.19263	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	431.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17468	0.3
56.73962	0.2
62.74153	0.3
66.22946	0.3
66.76600	0.3
69.55434	0.3
70.58293	0.3
70.58622	0.4
81.07108	0.3
86.09692	0.5
110.40497	0.3
115.84397	0.3
117.71878	0.3
139.03934	0.3
161.06013	0.4
167.07056	0.4
183.13754	0.5
269.13623	2.0
397.17166	0.4
431.18869	100.0
432.19266	6.0
454.91223	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.9
55.05508	3.9
57.03428	3.9
57.07086	1.6
59.04992	0.7
64.58128	0.7
65.03934	0.7
67.05505	11.0
69.07063	4.9
71.08633	1.0
79.05486	8.9
81.03431	0.9
81.07053	31.0
83.08613	3.0
91.05480	3.6
93.07040	6.8
95.08603	16.8
97.06557	0.7
97.10175	1.9
98.23519	1.4
105.07007	4.2
106.07401	0.7
107.08585	7.5
109.10160	8.1
113.00014	86.8
114.71581	0.7
119.08578	8.9
121.10165	4.1
123.08059	0.8
123.11674	2.8
125.05757	2.8
131.08557	0.8
133.10121	5.0
135.11681	3.1
137.13232	0.9
140.51907	0.7
142.44661	0.7
144.16483	0.8
145.10129	1.2
147.11691	2.6
149.13245	2.2
155.01050	0.7
159.11737	0.9
161.13268	3.8
163.14807	2.4
165.12680	0.7
169.02609	86.9
170.03006	1.4
175.14906	1.7
176.35034	0.7
177.16321	1.1
179.14349	1.2
189.16374	2.6
203.17915	0.8
207.17459	1.8
245.22708	1.9
251.32817	0.7
263.23694	5.5
329.20535	1.6
329.24487	32.2
330.24881	1.9
370.27191	2.6
395.33194	0.9
431.31320	100.0
432.31863	10.0
443.37012	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
57.03440	10.1
59.04994	0.8
61.02930	3.8
65.03944	1.6
69.03436	10.4
69.32642	3.4
70.06538	0.8
70.73838	0.7
71.01338	1.6
72.08154	1.1
73.02924	21.6
73.03334	1.1
74.03257	1.4
81.03419	1.2
84.04449	0.8
84.08148	1.1
85.02908	18.7
86.03246	2.0
86.09711	0.9
87.04462	1.5
97.02895	16.3
98.03239	2.0
98.22710	1.5
107.04945	6.7
109.02934	1.0
111.04462	1.7
115.03941	11.9
116.04283	2.4
120.04479	6.0
121.04002	3.6
121.05246	7.4
121.06512	1.9
127.03912	5.4
128.04253	1.0
133.04951	2.9
136.07533	0.8
137.06026	0.9
137.07909	1.2
138.05510	100.0
139.05846	2.5
145.04971	4.8
146.05205	0.7
147.04364	1.0
162.05496	1.2
163.05954	1.8
164.07083	7.0
167.73315	0.7
169.25693	0.8
173.05777	0.7
174.06367	0.7
175.07466	1.0
187.07590	1.7
224.06346	0.7
235.09697	0.8
241.07207	1.0
242.07930	1.0
270.07742	2.2
270.11282	12.0
300.10733	3.8
432.16415	7.6
437.30850	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.2
57.03451	0.4
61.02925	0.3
65.03938	0.4
66.32439	0.3
69.03419	0.8
70.06588	0.5
71.02681	0.4
72.08157	0.3
81.03438	0.3
85.02906	4.1
86.09711	0.4
91.03936	0.3
91.04938	0.3
91.05486	3.5
96.05101	0.3
97.02880	0.9
98.00909	0.3
106.94168	0.3
107.04964	0.3
119.04944	12.9
121.06506	0.4
127.03938	0.7
137.05989	0.3
145.04982	0.9
147.04411	100.0
148.04747	3.2
164.07133	0.3
177.05499	0.3
198.05482	0.3
252.05777	0.2
252.08713	0.4
253.07100	0.6
307.41904	0.2
432.14761	0.4
432.20560	1.0
433.15787	0.6
441.49399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58819	1.4
53.03940	9.5
55.01875	11.2
57.03441	6.5
57.50638	1.3
59.76971	1.4
60.01987	1.4
61.02920	9.5
67.05527	2.4
68.99805	3.8
69.03428	39.1
69.12593	8.8
71.05003	6.1
73.02938	9.1
79.05522	1.7
81.03417	39.0
81.07058	6.0
85.02908	100.0
85.54581	1.4
87.00832	43.3
91.03980	2.0
91.05492	2.1
93.07040	5.1
95.04986	2.3
95.08621	3.4
97.02895	66.2
97.78737	1.5
98.03247	2.6
98.23438	2.8
99.04458	16.1
105.01868	56.4
105.07053	4.5
107.08598	2.4
108.04485	7.5
109.02881	40.2
109.06557	1.5
117.01872	7.2
119.08606	4.4
121.10136	8.1
126.05530	3.0
127.03916	88.0
129.01869	5.2
131.08644	1.8
133.10115	2.2
135.08032	2.3
135.11694	1.6
145.04958	52.5
145.10147	2.6
147.02858	2.7
147.11752	1.7
149.09659	5.4
159.02895	25.7
161.13286	1.6
167.10689	6.2
189.03923	1.8
189.16386	5.5
191.10788	1.9
213.03972	4.6
231.04974	17.8
235.16960	3.3
248.07610	2.7
249.06042	2.2
275.12683	1.4
283.05951	4.0
306.35425	1.4
379.13736	2.0
397.15094	1.7
410.95999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.3
56.62142	1.7
67.05488	3.6
67.50356	1.7
69.03446	2.5
69.07059	10.0
70.41832	1.9
71.46886	2.3
78.48044	2.2
79.05502	10.0
81.07053	8.4
83.08619	4.8
86.58146	2.3
91.05480	5.5
95.08585	5.4
103.39346	1.8
105.07037	7.3
107.08588	8.9
109.10150	2.8
111.98549	7.0
113.00004	4.0
119.08578	25.6
123.11646	2.1
125.05999	11.0
129.99585	100.0
133.10136	4.2
135.08070	6.1
135.11636	4.0
139.78745	2.3
143.04924	2.6
147.11595	2.2
161.09634	9.0
161.13219	2.4
169.02530	2.1
169.70146	2.4
173.13335	1.8
175.11198	4.0
179.10684	4.3
285.22037	5.2
313.06686	1.9
391.08197	2.0
409.09396	3.1
410.09937	3.0
432.13452	2.6
432.18561	9.8
433.19186	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	432.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05509	0.4
59.31496	0.4
65.58344	0.4
66.75842	0.4
69.07066	0.5
69.28524	2.2
72.08159	0.8
77.03938	0.4
77.67695	0.3
79.05499	0.8
83.76719	0.4
84.08138	0.6
85.02927	0.5
86.09687	1.1
91.05493	0.6
93.07051	1.0
95.05000	0.4
103.05470	5.8
107.04962	6.4
110.49906	0.4
120.08106	100.0
121.06502	3.4
121.08450	1.8
122.06793	0.5
129.10272	0.5
131.04929	2.9
133.06000	0.4
138.09119	1.0
149.06004	2.1
158.45227	0.4
162.05536	0.4
163.03812	0.4
164.07074	3.9
166.08643	57.6
167.08981	1.2
172.27177	0.5
182.04506	0.4
194.04488	0.7
242.08046	0.6
243.89058	0.4
245.80653	0.4
270.07492	0.4
270.08380	0.4
270.11270	3.2
292.70245	0.4
400.39877	0.4
432.16275	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	2.0
56.05033	6.3
62.61300	0.4
67.05506	7.4
69.03426	0.6
69.07069	2.6
69.33639	0.8
69.34034	1.3
71.05003	0.6
72.76522	0.5
79.05500	7.2
81.07060	6.6
83.04996	0.6
83.08615	3.8
84.04505	100.0
85.02909	1.3
85.04829	1.5
85.06545	0.5
91.05484	6.6
93.07047	9.6
95.04977	0.9
95.08614	4.5
97.06545	1.1
97.10174	1.2
98.23451	1.0
99.08072	0.5
102.05542	49.3
105.07041	3.1
106.74460	0.5
107.08595	6.1
109.06497	0.6
109.10162	2.0
111.08090	1.7
117.07007	1.3
119.08587	3.9
121.09283	0.6
121.10145	11.7
123.08086	1.1
125.09602	0.8
129.07063	0.4
130.05003	47.0
131.08574	2.6
133.10143	4.5
135.08093	1.2
135.11691	4.2
137.09602	4.5
139.11197	0.7
145.10123	1.7
147.11725	2.0
148.06044	24.3
149.09641	1.8
151.11203	3.5
153.09132	1.9
157.10170	0.7
163.11244	0.5
165.12640	0.4
171.11739	1.1
185.13324	0.5
203.17947	0.9
213.16331	3.5
230.19104	1.0
231.17455	2.8
248.20145	3.1
249.18491	29.7
250.18877	1.6
266.21191	1.5
267.19568	5.3
283.06070	1.9
309.07538	0.7
313.07153	1.6
323.09189	0.6
332.22110	1.3
337.07114	1.0
350.23233	13.9
351.23764	1.1
367.08148	0.7
368.24323	3.4
378.22610	4.7
379.07663	0.4
396.23849	22.1
397.24118	1.8
414.24905	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	432.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16263	1.9
54.40299	1.9
55.05510	9.5
58.00669	1.8
66.77900	1.8
67.05514	18.2
69.03429	5.3
69.07059	5.5
70.14983	4.2
71.04987	3.2
73.02926	2.4
79.05486	14.9
81.03401	3.5
81.07056	100.0
83.08613	3.2
85.02927	14.4
87.00869	2.1
87.04498	1.9
87.46616	1.8
91.05478	11.0
93.07038	19.5
95.04967	5.3
95.08603	43.5
97.02895	6.8
97.10176	5.7
98.23370	2.5
99.04465	3.8
101.24557	2.0
103.59811	1.8
105.01862	3.6
105.07030	35.3
107.08592	30.2
109.10146	25.3
111.08059	2.8
113.05988	3.1
119.08587	48.9
121.06570	2.1
121.10137	14.0
123.08065	3.5
123.11704	33.5
125.96971	1.9
127.03931	7.0
131.08566	2.7
133.10118	30.0
133.39171	1.8
135.08105	3.4
135.11674	20.6
139.07558	3.0
143.08543	4.3
145.04991	6.4
145.10127	7.1
147.08133	2.5
147.11705	15.2
148.06184	2.2
153.09045	5.0
157.10146	4.3
159.11664	7.7
160.35863	2.2
161.09656	3.5
161.13248	51.5
161.14503	3.1
173.13335	4.8
175.11183	3.4
175.14842	3.1
179.10812	2.2
180.08708	2.1
189.16379	94.7
190.16727	2.8
199.14832	3.3
217.15903	19.1
235.16920	76.0
236.17253	2.3
267.06497	2.1
283.05865	9.8
313.06979	5.0
318.15112	2.3
337.07217	2.5
367.08136	3.1
368.58801	2.2
379.08133	2.7
386.23544	4.7
397.09390	2.7
406.71021	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	432.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
68.00501	0.5
69.03442	0.6
69.64825	0.6
69.90269	1.2
69.90638	1.3
70.06590	0.6
72.08173	1.4
73.06542	1.2
86.09701	1.9
87.04464	7.1
89.06032	100.0
90.06378	0.9
107.07022	1.0
121.02866	1.3
121.75173	0.7
125.49256	0.6
131.07068	1.5
133.08604	65.1
134.08948	1.0
135.04437	0.7
137.02345	1.0
158.63239	0.6
160.82030	0.6
161.02458	0.7
163.03917	1.3
165.01845	2.3
166.02223	1.7
175.09645	1.1
177.11221	22.9
179.73921	0.6
183.02917	0.7
195.12312	0.9
204.03662	0.6
212.22948	0.6
221.13817	5.4
239.14957	1.8
265.16425	1.2
270.11212	1.9
272.17419	0.7
283.05960	1.3
283.17572	1.7
287.05374	0.9
288.05820	1.0
297.07529	0.9
298.07919	1.8
299.05508	6.5
300.05823	18.9
301.06076	0.9
312.05780	1.9
313.06894	1.8
324.06058	0.8
325.06860	1.3
326.07431	7.0
327.20132	2.4
338.07288	0.8
340.08945	3.7
350.07324	0.7
353.06592	1.5
354.06927	10.6
366.06900	1.9
371.22708	2.4
378.06824	2.1
384.07959	5.1
396.07913	6.7
414.09085	4.8
415.25366	26.9
416.25629	1.4
432.10153	5.2
432.15729	1.1
432.27780	0.9
433.10760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03008	0.4
55.01844	1.2
57.03402	1.7
61.02876	1.3
65.03922	0.5
66.18702	0.4
68.99792	0.9
69.03429	2.1
69.30425	2.1
70.06569	0.7
73.02921	4.0
81.03379	1.2
85.02910	6.9
86.09673	0.7
89.83383	0.4
91.05430	0.8
93.03323	0.5
93.07001	0.4
95.04939	0.5
97.02909	3.9
98.22646	0.7
99.04447	0.6
103.03925	0.5
105.07027	0.8
109.02876	2.4
111.04436	0.5
115.03945	0.9
116.07031	0.7
119.04945	3.8
121.02067	0.6
121.02867	7.8
123.00782	0.5
123.04453	0.5
127.03864	1.8
131.04887	0.6
133.04967	2.1
135.04401	0.5
141.01770	1.2
145.02852	2.8
145.04933	3.4
147.04366	0.6
149.02336	2.0
150.07539	0.5
153.01833	0.5
159.04298	0.4
163.03868	2.3
163.05966	1.5
165.01840	15.5
165.55618	0.4
166.02266	0.6
167.03386	3.0
175.03731	0.5
177.01843	1.5
177.05402	0.7
179.03381	0.5
181.04918	1.8
183.02908	3.2
187.03874	1.9
189.01781	0.6
190.99680	0.5
191.03319	1.3
191.08147	1.2
195.02879	2.0
199.04060	0.5
203.03484	0.5
205.04921	1.0
215.03304	1.0
226.21359	0.4
229.04901	1.2
231.02943	0.7
239.07021	1.3
242.05833	0.6
243.02890	1.0
256.07385	0.9
259.08075	0.7
261.03949	0.5
267.06540	8.2
270.05234	3.3
271.06003	6.8
272.06335	0.6
277.08704	0.7
279.06531	1.4
281.08105	8.6
283.06009	100.0
284.06641	12.8
285.07452	1.0
285.13208	0.5
293.08121	0.7
295.02634	0.7
295.05994	10.8
295.09641	2.3
296.06564	0.8
297.04276	0.7
297.07556	3.0
305.08057	2.9
307.05969	1.5
308.06818	2.4
309.04016	2.0
309.07523	21.4
310.07947	1.6
311.05521	0.8
313.07059	67.7
314.07355	4.1
321.07471	3.0
323.06061	0.7
323.09143	15.8
324.09424	0.9
325.07254	0.6
333.07541	3.7
335.05038	0.6
337.07053	39.3
338.07285	2.2
349.07065	10.2
350.07474	0.6
351.08765	2.7
361.07028	9.0
367.08133	24.0
368.08481	1.3
379.08127	19.4
380.08453	1.3
397.09201	22.6
398.09390	1.5
403.13953	0.6
415.10263	15.2
416.10641	1.1
433.11206	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	433.1132
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01877	0.8
55.19460	0.5
57.03419	1.3
68.99796	0.7
71.22913	0.7
81.03400	1.0
85.02898	1.9
91.05465	1.1
97.02883	0.8
102.34276	0.5
109.02882	1.2
119.04907	3.4
121.02871	7.9
123.00794	0.8
130.14609	0.5
135.04404	0.7
137.02444	0.6
141.01811	1.3
145.02856	2.9
149.02324	2.2
163.03874	3.3
165.01828	15.6
167.03387	3.3
177.01862	1.8
177.05406	0.5
179.03349	0.6
181.04961	0.8
183.02890	3.9
187.03940	2.0
189.01707	1.0
190.85561	0.6
191.03380	1.2
195.02876	1.8
205.04979	0.9
215.03452	0.7
229.04851	0.9
231.02675	0.6
239.07039	0.9
243.02859	1.4
255.06371	0.7
256.07370	0.9
257.21249	0.6
267.06522	9.2
268.06918	0.6
270.05212	3.1
271.05978	6.1
279.06641	1.7
281.08115	7.0
283.05994	100.0
284.06641	14.3
285.07401	1.3
294.05206	0.6
295.05984	11.3
295.09595	2.6
296.06522	0.9
297.04547	0.7
297.07355	2.6
305.08008	3.0
307.05978	3.0
308.06717	1.6
309.03979	2.3
309.07492	22.7
310.07819	1.4
313.07037	63.9
314.07343	3.0
321.07501	2.4
323.05603	1.1
323.09097	16.3
324.09500	0.9
325.07214	0.9
331.06946	0.6
333.07468	3.5
337.07040	30.8
338.07449	1.2
349.07080	11.8
350.07449	0.9
351.08636	2.3
361.07092	9.3
362.07312	0.9
367.08112	16.3
368.08481	0.6
379.08170	15.2
380.08551	1.3
397.09149	15.2
415.10236	11.4
433.11246	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	433.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69522	1.4
69.87703	1.4
79.05494	2.8
91.05483	3.8
95.04968	8.8
98.23544	1.6
103.05492	2.9
105.07048	1.3
107.04951	1.9
108.41985	1.3
115.05463	21.2
117.06179	2.6
117.07020	52.9
121.06575	1.3
123.04434	10.2
127.05432	2.6
140.04671	9.0
143.04874	2.1
145.05333	3.2
145.06487	63.8
155.06010	20.3
155.07050	21.0
159.04428	12.9
160.05235	1.7
161.05957	5.7
167.07025	6.5
171.04361	6.4
172.05219	2.8
173.05991	19.3
174.03070	1.9
174.06319	1.5
181.04973	3.6
187.03891	2.8
189.05472	30.6
189.46956	1.3
190.06172	3.0
199.05130	2.4
200.04712	1.6
205.08565	2.4
217.04967	55.3
218.05412	4.0
231.06494	15.8
234.05225	7.8
249.07593	100.0
250.07976	3.6
261.07565	5.9
271.09601	1.8
283.06000	4.0
284.06540	1.6
289.04709	2.0
313.07199	4.0
331.11676	3.8
337.06897	1.7
374.12567	1.5
403.14246	1.8
415.09915	1.9
433.11230	1.6
433.17252	3.5
433.34857	1.5
434.21619	1.9
436.03442	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	433.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37815	1.5
54.93314	1.7
66.93263	2.0
67.05494	2.9
71.47367	2.2
79.05499	1.6
81.03399	1.9
85.02893	2.1
85.73020	1.5
91.05470	5.8
93.07024	2.8
93.79897	1.5
93.80553	1.8
95.04984	8.7
98.97572	3.4
103.05436	4.0
105.04491	1.9
105.07014	2.8
115.05451	25.0
117.07022	56.3
119.04911	1.9
123.04429	12.7
127.05428	3.2
127.85503	1.7
129.06947	2.5
131.04938	1.7
134.04529	1.9
140.04671	8.2
143.04936	3.3
145.05331	3.0
145.06488	62.7
152.04738	1.7
155.06007	23.2
155.07062	23.5
159.04401	16.2
161.05998	6.6
163.03871	3.1
165.01871	2.5
167.07050	7.3
171.04413	6.6
172.05205	2.5
173.05992	24.6
174.03072	2.2
181.04962	2.9
187.03906	2.4
189.05461	35.2
190.06123	3.4
191.03444	2.0
198.03104	2.4
199.05092	2.4
203.07014	2.2
205.08505	2.8
207.46497	1.6
217.04976	63.5
218.05293	2.0
231.06570	16.9
234.05168	8.9
237.02832	1.9
249.07581	100.0
250.07890	4.9
261.07669	8.0
267.06662	2.2
271.09460	2.8
283.06003	20.0
284.06888	2.9
309.07590	4.5
313.07092	11.1
323.08969	2.5
331.11679	3.8
337.07022	7.6
343.11859	2.9
349.07056	1.9
367.08011	4.9
373.15393	3.9
379.07956	3.3
397.08850	2.1
433.11560	2.3
433.18497	2.0
434.21542	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
58.48994	0.4
59.18468	0.4
67.05521	0.5
69.03451	0.7
70.34875	0.8
79.05515	0.5
81.46291	0.4
85.02907	0.9
91.05530	0.6
93.07064	0.6
95.08619	0.4
97.02945	0.4
97.06571	0.6
105.07020	0.6
107.05007	0.6
109.10128	0.6
121.10167	0.6
131.08626	0.9
133.06503	0.5
145.04814	0.5
154.14456	0.4
160.45483	0.5
167.07085	1.3
181.04939	2.4
185.11496	11.4
185.13048	0.7
213.10983	6.1
221.08005	0.5
283.06006	2.2
309.07669	0.5
313.07019	2.3
329.15628	2.1
337.07120	0.9
347.16751	24.0
348.16980	1.0
367.07947	0.6
389.17816	66.5
390.18130	4.0
403.13864	0.6
433.16797	100.0
434.17044	6.0
434.22336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.171
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
53.03935	2.3
55.01866	5.2
57.03438	29.4
57.38820	1.1
61.02932	11.8
69.03430	35.5
69.18675	4.5
69.19081	2.4
71.01347	6.0
71.05009	1.5
72.08151	2.4
73.02919	56.1
77.03947	1.2
81.03410	5.8
85.02906	70.4
86.03236	1.4
86.09743	1.4
87.04466	3.3
91.03955	3.5
91.05490	4.8
93.07030	2.9
95.04971	22.9
97.02893	50.8
98.03250	1.1
99.04470	2.8
103.03932	3.7
103.05472	1.7
105.07028	2.6
107.04955	14.2
108.05284	1.6
109.02853	5.8
115.03934	37.5
115.05457	4.4
116.07065	1.2
116.55411	1.1
117.07008	5.9
121.06512	45.5
123.04431	100.0
127.03913	16.0
128.06247	3.1
129.07053	2.2
131.04955	2.5
131.08571	4.3
133.04962	10.3
133.06516	2.8
135.08040	2.2
141.06978	4.4
143.04936	1.9
144.05682	3.0
145.04971	22.8
145.06487	25.7
147.08064	2.9
151.07559	5.6
152.77260	1.2
155.06052	1.3
155.08554	1.5
157.06505	5.4
158.07277	2.0
159.08069	10.9
161.05998	3.1
163.06029	6.5
163.07549	12.6
169.06476	2.8
171.08029	4.2
173.05940	1.6
175.07553	30.4
179.07050	3.8
183.07991	1.6
185.05966	2.2
187.07536	34.0
188.07909	1.8
189.09036	2.7
199.07611	6.9
201.09052	2.9
205.08644	16.0
217.08609	26.5
223.05983	2.1
229.08652	7.8
235.09644	19.7
241.07104	2.1
247.09673	8.5
253.10701	5.4
255.10110	4.4
259.08221	3.5
265.10748	7.7
271.11548	2.9
272.09140	1.2
272.12845	3.4
295.10297	2.5
433.16824	1.7
434.17889	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	433.1878
Annotation	Sethukarailide
Peak:m/z	Relative Intensity
55.05497	2.0
57.07095	1.7
67.05498	3.7
69.03418	1.7
79.05514	2.7
81.07056	3.4
87.11455	1.2
91.05496	2.1
93.07030	1.7
95.08604	3.3
98.98444	2.3
101.48199	1.4
101.65179	1.3
107.08631	1.8
109.06458	1.4
109.10171	1.3
118.13683	1.2
119.08582	4.4
155.01135	1.5
165.95563	2.1
180.33905	1.1
204.97939	1.8
241.09071	1.3
250.80350	1.2
262.04858	13.2
267.05243	2.1
278.14587	1.4
280.05975	30.4
294.03860	26.7
295.04178	1.6
303.07462	4.4
312.04990	1.8
346.07565	1.3
353.21704	4.4
355.15594	1.4
373.16614	100.0
374.17075	3.3
391.17648	37.1
391.22012	2.7
392.18008	2.1
414.19223	11.8
432.85577	1.4
433.18607	17.4
433.24069	2.1
433.29730	2.4
434.21719	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	433.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01869	1.1
55.05509	11.3
57.03442	7.8
57.07074	1.9
61.89482	0.7
65.03947	0.9
67.05508	43.2
69.07075	9.8
69.31542	3.3
71.05004	1.9
71.08620	1.7
75.04487	1.2
77.03944	1.3
79.05498	30.4
81.07059	46.9
83.08622	4.6
85.06564	1.2
91.05483	17.9
91.24487	0.7
93.07047	41.6
95.04977	3.6
95.08609	35.5
97.06522	1.9
97.10178	1.9
98.98473	100.0
99.08096	2.6
105.07034	13.3
107.08598	27.7
108.08932	1.2
109.10168	19.3
113.09633	1.6
116.99505	1.6
117.06992	6.0
119.08587	14.8
120.08916	1.4
121.10149	22.7
123.08049	1.4
123.11726	7.9
129.99634	0.9
131.08568	11.4
133.10118	9.6
135.11682	16.9
137.13251	3.7
145.10126	9.7
147.11674	6.2
149.13261	11.9
151.11185	0.9
153.12778	1.2
155.01041	23.9
159.11702	8.7
159.66853	0.8
161.13255	6.9
163.11206	1.0
163.14839	9.8
165.12706	0.9
171.75880	0.8
173.02110	13.4
173.13300	7.8
175.14796	3.1
177.16396	3.3
187.14842	5.0
189.16492	1.3
201.16338	1.9
205.15813	0.9
215.18082	1.1
233.22658	2.9
243.21089	18.1
261.22159	61.5
262.22476	3.1
279.23111	0.9
283.06049	2.1
313.07169	1.7
317.24759	7.0
335.25830	43.6
336.26166	4.1
415.22455	5.9
433.23621	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2354
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05511	9.3
57.03436	12.7
57.07073	1.4
59.04999	1.0
63.47306	1.0
63.89912	1.0
65.03946	1.7
67.05503	51.4
69.07066	9.6
69.22319	3.1
69.22731	2.8
71.08625	1.2
73.56196	0.9
75.04472	1.8
76.97540	0.9
79.05491	27.9
81.07056	55.0
82.07363	1.1
83.08622	5.4
85.06540	1.6
91.05479	16.0
93.07046	37.5
94.07373	1.2
95.04967	3.3
95.08605	43.8
97.06529	2.8
97.10168	2.6
98.23441	2.0
98.98463	70.4
99.08113	1.4
105.07027	12.3
107.08595	24.1
109.06525	1.6
109.10152	19.3
111.08089	1.3
113.09620	1.0
116.99494	1.4
117.07011	6.8
119.08568	13.2
121.10143	18.3
123.08017	1.3
123.11698	8.1
125.09560	1.3
127.11427	0.9
131.08559	8.4
133.10143	9.6
135.11688	16.3
137.13243	3.2
145.10117	8.2
147.11711	6.0
149.13266	11.5
151.14836	1.2
155.01018	8.3
159.11630	6.9
161.13272	6.0
163.14827	6.8
173.02090	13.4
173.13239	7.0
174.95532	1.0
175.14804	2.4
177.16409	2.2
187.14853	3.5
201.16335	1.5
233.22543	2.1
243.21094	12.5
261.22144	40.0
262.22501	2.5
277.21393	1.4
279.23007	1.1
291.22989	1.0
308.80475	1.0
317.24658	7.7
335.25803	100.0
336.26154	7.5
403.09335	1.1
415.22510	2.1
434.21722	3.8
437.87781	1.2
455.13913	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
53.03950	1.5
55.05514	8.8
56.12413	1.2
57.03436	7.9
57.07085	3.2
65.03944	1.6
67.02338	1.4
67.05507	45.9
69.07079	11.1
69.66524	3.0
71.04999	1.9
71.08627	1.6
79.05496	34.1
79.05948	2.3
81.07060	48.0
83.08620	4.4
91.05482	17.4
93.07052	42.6
95.04966	3.3
95.08607	37.1
97.10184	1.8
98.98470	100.0
99.08092	2.1
105.07021	13.7
107.08599	29.9
109.06582	3.2
109.10173	20.0
115.18910	1.4
116.99537	2.5
117.07021	6.1
119.08592	16.1
121.10154	21.4
123.11703	8.9
125.09707	2.0
129.07076	1.6
131.08580	12.7
133.10132	9.1
135.07997	2.2
135.11708	17.7
137.13269	4.4
145.10156	11.2
147.11644	9.0
148.48390	1.4
149.13274	12.8
151.11252	1.8
155.01051	24.7
157.10269	1.7
159.11693	8.4
161.13280	8.3
163.14850	7.6
173.02127	13.8
173.13292	11.2
175.14836	2.4
177.16411	3.0
179.14331	2.2
184.07329	1.6
187.14835	5.1
191.14294	1.6
233.22635	3.4
243.21077	16.9
261.22141	63.4
262.22482	4.1
279.23450	1.5
299.31873	1.5
317.24612	7.4
333.77542	1.7
335.25803	57.5
336.26065	2.6
415.22214	7.2
431.46021	1.6
433.37619	2.3
434.22119	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	433.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01883	1.6
55.05510	13.1
57.03438	11.2
57.07063	2.8
65.03931	2.5
67.05504	59.8
69.07065	12.6
69.57027	2.8
69.57359	1.1
71.04978	1.9
75.04469	1.9
77.03910	0.9
79.05492	32.9
80.05823	1.0
81.07055	57.6
83.04993	1.3
83.08615	5.8
85.06557	2.2
91.05480	16.5
93.07044	40.8
95.04989	4.0
95.08606	46.4
97.06531	1.9
97.10139	1.8
98.98468	80.6
105.07035	13.8
107.08591	28.3
109.06516	1.9
109.10154	22.4
111.08047	1.7
111.56601	1.0
113.09630	1.1
115.05404	1.0
116.99543	2.1
117.07002	5.6
119.08589	14.1
120.08927	1.2
121.10143	23.5
123.08054	1.6
123.11720	9.7
125.00000	1.1
131.08566	11.3
133.10130	9.8
135.08095	0.9
135.11690	16.6
137.09595	1.2
137.13251	3.7
145.10117	10.1
147.11694	8.8
149.09656	1.7
149.13249	13.5
151.11261	1.1
155.01054	10.8
159.11665	6.9
161.09590	1.1
161.13248	7.5
163.14816	9.5
173.02119	15.0
173.13228	8.9
175.14851	2.0
177.16396	2.6
179.14317	0.9
183.11774	0.8
184.07333	1.1
187.14841	4.8
201.16360	1.9
205.15897	1.1
215.17969	0.9
233.22542	1.4
243.21080	15.0
244.21333	1.0
261.22141	46.3
262.22360	4.0
277.21646	1.2
279.23138	2.8
317.24780	9.0
335.25790	100.0
336.26187	5.8
415.22379	2.6
433.20306	1.3
433.27673	1.7
434.21356	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2951
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
52.91141	0.6
55.05509	4.8
57.03447	0.6
57.07082	0.8
60.20812	0.5
67.05503	5.5
69.07074	4.2
71.04993	100.0
71.08624	0.6
72.05309	1.1
79.05498	5.9
80.54752	0.5
81.07058	12.3
83.08591	3.0
89.05987	0.7
89.10397	0.5
91.05495	2.4
93.07047	5.6
95.08607	10.8
97.06546	1.5
97.10164	4.8
98.98489	1.5
103.77216	0.5
105.07027	7.0
107.04961	1.1
107.08598	5.9
109.06522	0.7
109.10171	4.6
111.11719	0.7
113.00007	2.9
113.06010	3.0
119.08569	10.0
120.08913	1.2
121.10130	3.3
123.11744	2.1
124.93914	0.6
125.05998	7.8
126.73698	0.5
131.07040	44.9
131.08630	3.1
132.07335	0.7
133.10127	4.6
135.11703	1.6
137.05991	0.7
137.13266	0.7
145.10132	4.8
147.11723	3.7
149.13297	2.3
149.63985	0.5
157.10185	0.8
159.11734	2.2
161.09709	0.9
161.13301	3.0
163.14859	0.7
165.01735	0.7
169.02597	2.7
170.02953	1.1
171.03056	1.0
173.13321	2.4
173.77835	0.5
175.11287	0.9
175.14839	5.8
183.02971	0.6
185.13260	0.7
187.14880	1.8
197.02039	0.7
201.16425	1.0
203.14378	2.7
215.14397	0.6
219.13774	0.8
221.15376	3.0
229.15910	0.7
257.22653	2.8
277.25403	0.6
283.06042	4.6
284.06775	1.2
285.22113	43.0
286.22418	3.2
295.06390	0.6
303.23203	2.0
309.07523	1.3
313.07092	3.2
323.09326	0.9
335.25900	1.1
337.07126	1.9
367.08298	1.2
379.08243	0.8
385.48810	0.6
397.09421	0.8
433.18912	1.5
433.24005	1.8
434.22525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	0.3
53.03947	0.3
57.03429	1.6
61.02926	0.8
69.03430	1.5
70.68744	0.4
73.02915	3.7
77.03926	0.6
81.03418	0.3
85.02903	2.9
85.77866	0.3
91.03993	0.3
95.04973	19.9
96.03761	0.3
96.05312	0.4
97.02888	2.1
103.79768	0.3
105.04507	0.9
107.04967	2.4
115.03923	1.6
118.33307	0.3
123.04431	100.0
124.04783	2.5
127.03912	0.7
143.04973	0.3
145.04994	0.8
161.05972	0.6
255.10112	0.8
272.09506	0.3
272.12625	0.6
279.61652	0.2
285.09622	0.8
327.35220	0.3
396.69577	0.3
434.17804	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1812
Annotation	Naamidine D
Peak:m/z	Relative Intensity
50.75290	0.4
53.03959	0.5
57.03452	0.8
61.02907	1.4
69.03432	4.2
69.13680	0.6
70.52881	0.9
73.02940	0.5
77.03934	0.5
79.05491	1.0
81.03420	2.3
85.02905	8.6
87.04470	0.6
91.05479	0.9
95.04951	1.5
97.02892	3.4
99.04393	0.7
105.07037	0.5
107.04955	94.6
108.05305	1.2
109.02872	1.2
115.05469	5.0
117.07035	1.6
119.04971	0.6
121.06528	2.9
123.04436	13.5
127.03915	2.1
131.04916	1.1
133.06485	1.9
136.07536	0.9
137.05963	2.1
143.04921	12.6
145.04926	0.9
145.05205	1.0
145.06479	10.8
149.05977	3.0
155.06108	0.8
161.05978	27.6
162.06395	0.8
164.07068	5.4
181.10266	0.6
191.08591	1.0
194.07295	0.9
209.09648	3.3
219.08026	1.1
222.06740	0.6
226.06334	0.6
227.06979	0.6
237.09109	4.0
240.07767	0.8
241.08202	0.5
255.10164	35.8
256.10519	1.6
272.12808	28.9
273.13120	1.2
324.22513	0.5
434.18091	100.0
435.18494	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	434.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.5
54.03374	0.4
55.01870	0.5
57.03432	0.8
58.32302	0.3
60.14211	0.4
61.02912	1.7
64.12427	0.5
64.36137	0.4
65.46620	0.4
69.03434	5.6
69.99070	0.5
69.99397	1.0
73.02928	0.9
77.03890	0.6
79.05492	0.5
81.03419	1.8
85.02902	7.8
86.91468	0.4
87.04459	0.8
91.05485	1.2
94.12654	0.5
95.04971	1.3
97.02884	3.8
99.04475	1.1
101.02345	0.5
103.05501	0.6
105.03445	0.5
105.04556	0.5
105.07030	0.7
107.04955	100.0
108.05280	1.7
109.02873	1.1
115.05459	4.3
117.07015	1.3
119.05001	0.7
121.06506	2.8
123.04430	12.6
127.03926	1.8
129.90010	0.4
131.04932	1.5
133.06474	1.9
136.07578	0.7
137.05939	2.3
143.04924	10.5
144.81453	0.5
145.05081	0.7
145.06467	10.1
149.05975	2.8
155.06039	0.8
161.05981	28.7
162.06349	0.7
164.07074	5.8
178.08670	0.5
181.06401	0.6
191.08521	0.9
194.07355	0.8
209.09615	3.0
219.08049	0.6
222.06807	0.6
226.06282	0.8
237.09091	4.6
240.07835	0.8
255.10167	38.2
256.10507	1.8
272.12814	28.1
273.10229	0.5
273.13095	1.9
434.18091	94.9
435.18320	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.1
55.01867	9.3
57.03429	5.6
59.04992	6.4
61.02918	4.5
67.05498	3.9
68.99777	2.9
69.03428	24.6
69.07067	10.9
70.37748	1.7
70.38104	2.9
71.04991	4.7
73.02909	6.1
74.49527	1.6
79.05483	2.3
81.03420	28.7
81.07060	25.8
85.02902	62.0
87.00831	29.7
91.03974	2.7
91.05453	1.9
93.07057	3.4
95.05009	4.1
95.08595	4.6
97.02898	51.1
97.29752	1.6
99.04467	11.9
105.01872	23.8
105.07041	3.4
107.08587	3.5
108.04545	1.7
109.02872	26.5
109.06516	9.3
109.10156	11.6
117.01846	3.1
121.10197	3.2
123.08128	3.7
123.11711	100.0
127.03028	3.1
127.03928	55.7
129.01804	2.8
133.10115	4.2
135.08093	1.9
137.05997	1.6
145.04962	30.3
147.11670	4.4
151.11180	77.3
152.11545	2.1
159.02882	17.2
159.11700	1.8
169.12238	28.5
213.03864	2.2
231.04988	12.1
241.12350	1.7
242.46080	2.0
259.13385	2.4
334.05344	1.6
381.15106	2.4
396.90115	1.8
399.16931	3.2
434.21320	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50211	2.8
53.03943	11.8
55.01866	8.4
57.03431	5.8
61.02919	9.7
67.05530	4.7
68.54298	3.2
68.99791	5.6
69.03430	34.0
69.07069	58.9
69.90315	10.2
71.05014	6.0
71.81618	2.6
73.02924	10.2
80.56689	3.0
81.03423	29.7
81.07058	16.5
82.03764	3.3
85.02906	100.0
87.00829	46.2
89.04142	2.8
91.03984	4.3
97.02896	84.0
98.23372	3.2
99.04451	13.1
105.01871	52.0
107.08607	6.8
109.02885	42.2
109.10139	3.1
117.01878	5.7
123.11717	37.9
125.27994	2.9
127.03916	82.9
127.04845	4.1
129.01845	4.3
145.04965	44.8
147.02887	5.4
151.11177	55.9
159.02892	22.5
213.04018	8.4
231.04936	25.2
399.16516	28.4
403.15375	3.4
427.84793	3.2
432.07224	3.3
434.21689	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	434.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03968	0.4
53.03942	0.6
55.01881	2.7
57.03440	4.8
59.04988	0.4
61.02931	5.1
65.03942	0.4
69.03433	9.4
69.41541	1.5
70.06578	0.4
71.01361	1.7
71.04998	2.9
73.02924	29.2
79.05495	2.5
81.03420	1.7
81.07063	0.5
83.04980	0.4
85.02912	22.2
87.04456	1.4
91.03958	1.4
91.05478	1.0
93.07096	0.3
95.04967	1.6
96.04512	0.4
97.02896	23.9
98.03278	0.4
98.31001	0.4
99.04455	1.3
101.02364	0.4
103.03949	0.9
103.05474	1.6
105.07036	100.0
106.07394	1.7
107.05003	0.5
107.08575	0.6
109.02868	1.8
115.03941	10.3
117.06996	0.6
119.04939	0.4
119.08591	7.2
121.06496	0.5
121.56724	0.4
127.03918	6.6
128.06194	0.9
129.05498	0.9
131.08548	1.7
132.06554	0.4
133.04965	8.7
133.06485	0.5
133.10130	0.6
137.05962	0.3
143.03377	0.6
143.08588	3.5
145.04965	9.8
145.06149	0.6
145.06599	0.4
145.10141	2.3
147.04440	0.4
147.08046	5.6
148.08517	0.4
148.11188	0.6
150.07591	2.1
151.16684	0.4
153.05405	0.4
157.10103	0.6
159.08060	2.6
161.04524	2.1
161.05759	0.5
161.09660	0.9
163.06021	3.5
163.07381	0.6
167.07063	0.9
171.08040	4.4
173.09663	1.2
181.05002	2.4
182.05354	0.9
185.09615	0.5
189.09056	0.6
193.05005	0.6
199.06107	0.5
201.09186	1.7
205.06963	0.4
213.09152	0.4
219.10161	5.6
223.04065	0.4
223.05888	1.9
231.10304	0.8
241.07045	2.4
249.11195	0.8
259.08179	2.8
267.12286	0.6
271.05710	0.4
272.39008	0.5
277.09290	0.6
283.06006	0.6
284.06442	1.9
284.09552	0.4
294.11899	0.4
295.10303	1.6
302.16019	0.6
314.07394	0.9
338.07639	0.6
368.08450	0.5
404.14200	1.0
404.88089	0.4
417.15070	0.4
434.21725	2.5
435.22101	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	434.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01871	2.2
57.03437	28.2
58.82849	0.6
59.04995	1.4
60.04516	0.6
61.02635	1.1
61.02927	12.6
69.03429	32.0
70.07518	1.9
71.01350	2.9
71.04993	1.7
72.04499	0.9
73.02492	1.7
73.02916	63.2
81.03418	6.0
85.02905	100.0
86.03233	1.7
86.09696	1.1
87.04480	3.9
87.62680	0.6
91.03963	4.6
91.05483	0.8
96.04449	0.9
97.02892	54.9
98.22873	1.0
99.04450	3.8
101.02435	0.8
103.03942	1.4
105.07030	10.9
107.04974	1.1
109.02893	8.1
113.05164	0.6
115.03928	39.1
117.06970	0.8
120.05194	0.7
121.02931	1.2
123.04477	0.7
127.03911	31.7
129.06993	1.4
132.06584	2.1
133.04965	13.3
133.06514	0.8
144.06502	0.8
145.04959	54.1
146.05339	0.9
147.08089	2.2
149.65070	0.7
150.07607	6.9
162.07712	0.8
163.03989	1.3
163.06013	29.7
165.01846	2.0
167.03297	0.7
179.06900	0.6
180.08720	1.6
181.05011	2.5
189.09128	1.2
195.02789	0.8
197.84074	0.7
201.09117	3.1
211.45474	0.7
219.10181	2.6
223.05960	4.4
231.10135	2.0
233.08134	1.7
241.07077	5.4
249.11014	1.7
255.12361	1.1
259.08130	5.1
267.12531	0.7
271.05618	1.1
272.06171	1.0
280.70325	0.8
283.06036	5.6
284.06311	15.3
284.09189	0.9
285.07016	2.7
285.13318	10.2
285.16284	0.9
295.07056	1.1
295.10187	5.2
296.06467	1.7
302.15979	1.8
309.07553	1.2
310.07892	2.8
313.07101	3.1
314.07455	9.2
324.09567	3.2
337.06937	1.0
338.07364	7.0
350.07455	2.1
362.07220	1.9
368.08405	4.6
380.08377	4.4
398.09439	3.8
416.10510	2.7
433.28033	0.9
434.11292	1.0
434.20724	2.2
434.28146	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38998	0.2
50.55178	0.3
51.87122	0.2
53.03953	0.5
55.01872	1.2
57.03437	4.6
59.04981	0.5
61.02933	3.3
69.03431	6.6
69.24044	1.3
70.50183	0.3
71.01343	0.8
71.04981	0.4
73.02921	20.7
75.87612	0.3
79.05493	2.6
81.03420	1.1
81.07079	0.4
83.01350	0.3
83.04984	0.3
84.08129	0.4
85.02906	12.6
87.04486	0.7
91.03954	0.8
91.05480	0.4
92.92396	0.2
95.04980	1.0
96.04492	0.4
97.02895	14.4
98.22768	0.5
99.04461	0.6
103.03947	0.7
103.05452	1.3
105.07032	100.0
106.07359	2.0
107.08611	0.6
109.02874	1.1
115.03934	8.5
119.08578	4.6
121.06557	0.4
121.17091	0.2
127.03918	3.8
128.06291	0.3
129.06921	0.3
131.08575	1.5
132.06560	0.6
133.04968	5.8
133.06502	0.3
133.10118	0.9
143.08592	2.2
145.04961	5.7
145.10127	1.6
147.08044	3.5
150.07661	1.4
155.08604	0.3
159.08034	2.5
161.04451	1.5
161.09637	0.8
163.06024	2.0
163.07402	0.4
167.07069	0.7
169.07631	0.4
171.08031	2.2
173.09647	0.7
177.59952	0.3
181.04993	1.0
183.08078	0.4
185.09660	0.6
189.09135	0.9
193.04898	0.5
199.06024	0.6
201.09126	1.4
204.94939	0.3
219.10161	3.4
223.06004	0.9
227.09271	0.3
231.10197	0.8
233.08110	0.7
235.07620	0.3
241.07080	1.5
249.11217	0.7
259.08035	1.6
261.09839	0.2
262.06287	0.5
263.07004	0.7
267.12289	0.4
277.09216	0.5
281.45120	0.3
284.06387	1.3
285.06909	0.3
288.06561	1.1
289.04956	3.2
291.06610	0.5
295.10193	0.8
310.07925	0.4
314.07434	0.7
318.07596	2.9
324.09436	0.5
338.07370	0.7
346.10736	2.4
364.12170	0.3
368.08499	0.3
380.08737	0.3
398.09973	0.3
416.10675	0.4
417.18408	2.1
434.21210	6.6
435.21078	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43246	0.5
55.05517	1.6
56.26836	0.5
57.03437	9.7
58.73193	0.6
59.05013	1.2
61.02930	1.6
65.70033	0.5
69.03430	1.9
70.06590	1.3
71.04993	77.6
72.05345	0.8
73.02921	2.0
75.04479	5.5
81.03376	0.6
83.04981	8.7
85.02905	100.0
86.03240	1.2
87.04464	1.9
91.05482	22.5
95.04967	0.7
97.02897	6.7
99.04475	1.6
100.59438	0.5
103.03951	1.5
105.07053	2.6
107.04972	1.1
110.06032	0.9
111.04457	5.5
115.03921	0.7
121.02900	1.0
123.04457	0.8
127.03913	2.7
129.05478	45.4
130.05757	0.8
133.06494	2.2
145.04959	3.3
145.06526	1.2
146.08011	0.6
147.06520	23.9
159.38509	0.6
163.03900	0.8
163.06038	0.7
164.09187	7.6
165.07532	1.4
175.07527	1.2
217.08501	0.7
235.09732	0.8
253.10632	1.0
255.08578	2.4
273.09692	0.9
279.17267	0.6
309.11810	1.7
314.07233	0.7
369.95230	0.7
434.11667	0.7
434.17285	0.9
434.22980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.05512	100.0
56.05841	1.4
60.66843	0.8
67.05505	3.5
69.03438	3.0
69.07059	1.4
69.68866	1.7
79.05486	2.0
81.03422	2.4
81.07058	8.6
83.04995	2.8
85.02902	5.7
87.00851	1.6
91.05510	2.4
93.07056	3.9
95.05000	2.7
97.02906	1.2
97.06532	34.7
100.11256	2.2
105.01875	1.5
105.07050	2.6
107.04946	1.5
107.08598	17.5
108.02050	0.7
109.06554	2.7
109.10167	12.7
119.04965	3.2
121.06450	1.0
123.04408	1.3
123.11715	5.1
127.03920	3.0
133.10141	2.5
145.04942	1.3
147.04416	9.9
149.05960	1.3
151.11182	52.0
152.11507	1.2
153.01819	21.4
167.06981	1.1
181.04958	1.8
182.15434	1.6
189.05431	0.9
209.08122	1.6
210.14748	1.0
252.73596	0.8
273.07581	27.6
281.04092	0.8
283.06000	1.3
284.06461	4.9
310.07819	1.3
314.07486	2.4
324.09317	1.2
352.87051	0.9
368.08362	1.6
434.21698	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	13.2
67.05521	9.5
69.03452	19.9
69.65494	35.1
70.05886	8.1
70.06593	15.6
71.04991	15.3
77.16848	8.8
81.03403	12.1
81.07061	52.0
85.02910	44.9
87.00844	31.6
91.05485	27.5
93.07050	86.5
95.04968	20.7
95.08591	12.5
97.02899	15.3
99.04510	12.8
105.01886	40.2
105.07039	21.1
107.08629	18.2
109.02909	18.8
119.08604	9.3
121.10136	9.0
123.11702	29.4
127.03929	40.5
131.08598	11.4
133.10172	24.3
134.69147	9.0
145.04942	17.9
148.34206	9.8
151.11205	32.4
151.95308	8.9
159.40437	8.5
181.05060	9.6
209.08110	37.0
223.05867	10.9
231.04948	14.1
271.05914	12.1
272.06332	15.3
289.04907	17.7
299.68207	10.4
314.07550	13.9
338.07333	9.4
434.21576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45528	1.2
53.03919	1.4
55.01863	2.3
57.03431	8.5
61.02909	1.6
69.03416	2.0
69.37846	2.5
69.38245	4.4
75.04478	5.3
85.02908	10.5
91.05476	5.6
93.07030	2.8
95.04990	1.4
97.02892	2.5
98.05985	1.5
98.23427	2.4
103.05463	25.7
104.37840	1.4
105.07012	2.1
110.03673	5.4
111.08104	1.6
113.27338	1.3
119.04947	8.5
121.06514	5.2
123.04441	9.9
124.05239	3.7
130.04173	1.5
131.04932	100.0
133.06567	2.0
135.08023	3.1
137.05986	17.7
138.06773	12.0
145.04913	1.8
147.04378	1.8
148.05185	11.6
151.07565	7.1
161.05983	3.5
162.06808	1.8
163.07542	67.4
166.06264	20.4
175.07521	2.3
179.07048	3.1
181.08603	26.8
201.08948	1.4
207.10255	1.2
219.10197	1.7
237.11227	18.2
255.12277	62.9
256.12570	1.5
399.16351	2.0
434.22034	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	434.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40295	0.6
55.01873	0.7
55.02220	0.6
55.05498	1.4
67.05501	1.7
69.03430	1.0
72.08152	2.7
76.90186	0.6
79.05486	0.8
81.07052	2.9
83.74948	0.7
84.04499	2.2
84.08144	2.9
85.02914	2.9
91.05470	1.5
93.07047	1.8
95.04956	2.3
95.08614	1.8
97.02891	2.2
102.05524	0.8
105.07033	2.0
107.08610	2.2
109.10134	1.6
112.11221	1.8
117.07023	0.8
119.08578	1.1
121.10152	1.2
123.11723	1.4
130.04970	1.2
131.08551	1.6
133.10124	1.3
145.10170	1.5
147.11746	0.9
148.06070	1.1
151.11182	1.1
155.11789	2.1
159.11696	0.9
163.11327	0.9
167.07034	2.0
169.12294	0.8
181.04941	2.9
191.07037	0.8
192.07880	1.2
198.12349	8.4
201.16391	2.0
207.08096	7.2
209.15349	1.1
219.13605	0.8
219.17468	2.9
232.07619	2.2
233.05991	5.3
233.08055	1.2
234.06735	2.7
235.07533	5.6
237.18501	0.9
260.07050	4.8
261.05441	2.1
262.06253	7.4
263.07031	55.4
264.07379	2.4
273.16693	2.4
275.07181	1.3
287.03708	4.7
288.06552	21.9
289.04919	63.7
290.05280	3.1
290.08136	1.4
291.06491	17.3
292.07172	0.9
306.07504	1.7
318.07605	36.3
319.07819	1.8
345.12454	2.5
346.10733	35.9
347.11185	3.3
360.12469	1.4
363.13202	1.4
364.11780	5.2
380.24063	0.8
404.14618	1.1
416.19781	2.1
417.18256	8.9
434.20834	100.0
435.21771	24.6
443.98438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
57.78244	0.4
63.71392	0.4
67.05492	1.4
67.96043	0.4
79.05494	0.8
81.07042	0.8
90.04694	0.5
91.05458	2.4
93.07056	0.9
95.08588	0.6
97.06488	0.5
97.10149	1.3
106.04166	1.0
107.04943	5.3
108.05723	2.1
109.06528	0.6
109.10133	0.9
115.05432	0.4
121.06497	1.3
125.09668	0.7
127.28017	0.4
133.06450	0.8
135.04411	1.5
136.05202	3.0
137.05934	0.5
145.06482	0.5
148.05203	0.7
149.05867	0.5
151.07539	100.0
152.07883	3.2
161.05991	2.6
163.07506	2.1
165.09125	0.8
166.06284	2.5
167.06926	0.4
175.07529	4.5
176.08319	13.9
177.09059	1.8
179.07010	6.5
181.08607	9.3
189.09180	1.0
191.07060	4.5
192.07806	1.9
196.80560	0.5
202.09933	0.5
207.10164	21.9
208.10477	0.9
212.97337	0.4
217.08376	0.5
219.10173	0.8
227.12813	1.2
229.14377	0.7
231.10149	0.7
245.13792	0.9
279.12338	1.0
293.11469	0.7
293.21103	0.7
307.13162	0.7
308.14084	2.0
318.12439	1.2
319.13235	1.4
334.12073	0.7
335.12756	1.5
336.13586	0.7
339.15967	3.1
349.14319	4.8
350.15045	1.9
351.12329	0.6
367.15414	8.7
368.15775	1.0
369.92670	0.5
381.17014	3.4
399.18045	20.0
399.23557	1.3
400.18405	1.7
417.19128	11.9
418.19400	0.7
434.21744	4.7
456.97305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.4
55.01867	10.9
57.03440	4.9
58.68230	3.6
61.02930	7.6
67.05495	19.8
68.99794	4.5
69.03431	40.6
69.07073	30.6
71.04986	8.8
73.02937	4.5
79.05479	7.6
81.03413	35.8
81.07051	42.3
85.02908	99.7
85.06536	9.8
87.00838	32.9
87.50518	3.9
90.53550	4.1
91.05457	4.5
93.07037	10.9
95.08611	100.0
96.08983	4.4
97.02888	31.9
99.04471	14.6
105.01870	37.2
105.07060	6.8
107.08610	8.2
108.04478	8.3
109.02880	35.1
109.10155	23.4
111.08135	5.3
112.42589	4.1
113.05963	3.6
116.91139	3.5
118.93666	4.0
119.08599	5.9
121.10176	5.0
123.08155	5.2
123.11727	5.3
125.13285	13.8
127.03919	70.3
129.01801	5.2
135.11754	3.7
143.08611	4.6
145.04979	42.2
145.10136	4.1
147.11613	4.9
149.09674	4.1
151.14854	8.5
159.02893	22.5
169.15880	25.4
177.03947	4.4
179.14313	4.4
205.72400	4.2
213.03850	7.0
231.05048	15.4
248.07622	6.6
259.17059	5.5
293.67932	3.5
308.18359	3.9
363.17877	5.0
424.41696	3.8
434.16580	6.4
434.21759	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03034	3.6
51.05681	4.0
53.03959	5.3
55.01863	8.1
55.05517	29.1
57.03444	18.1
59.05012	18.9
62.54477	3.9
65.03952	7.0
67.05507	83.6
69.03421	8.5
69.07071	37.5
70.43568	4.3
71.05000	26.4
73.02892	3.7
75.82627	3.9
79.05497	46.9
81.03407	25.0
81.07060	78.4
83.04971	8.6
83.08614	15.9
85.02896	9.0
85.06554	5.8
91.05471	28.6
93.07044	39.8
95.04987	18.3
95.08612	24.0
97.06535	28.1
97.10170	16.9
97.29321	4.2
105.07047	28.1
107.04955	15.1
107.08603	30.6
108.15563	3.5
109.06515	25.9
109.10146	26.6
111.08091	10.3
115.07578	11.6
117.07019	12.1
117.80222	4.1
119.08598	15.3
121.06480	6.9
121.10168	20.0
121.42407	3.8
122.09698	4.0
123.08076	10.2
125.09626	14.7
129.07007	5.3
129.12630	3.9
131.08614	15.9
133.06601	4.5
133.10129	12.5
135.08054	7.4
135.11729	8.6
137.09630	4.4
145.10126	12.3
147.11688	9.1
149.09613	6.5
149.13266	7.5
153.48605	4.2
157.10071	4.7
159.11684	10.5
163.11148	5.3
173.11763	16.0
175.11252	5.1
177.12762	10.8
187.11214	4.4
189.11349	8.9
223.13318	5.9
227.12784	4.3
229.14330	21.0
229.19315	4.6
241.58731	4.9
269.17422	31.0
273.18518	7.1
275.20117	7.9
283.60773	4.2
287.11511	3.6
297.17026	4.8
297.74045	4.1
298.12350	4.8
309.20532	16.5
309.23801	3.8
349.23657	8.5
375.20404	5.7
393.20966	4.4
399.23444	5.3
434.21857	100.0
435.22092	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	435.129
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.83585	1.2
55.01921	1.1
55.05256	1.8
55.05510	25.0
56.05839	2.3
61.02899	1.3
62.35396	1.2
67.01846	2.5
69.03416	3.8
69.41659	1.1
70.06577	1.2
71.04967	1.1
72.67850	1.0
81.07050	2.9
82.06575	2.2
83.04974	2.9
83.08615	4.5
85.02909	6.6
91.05459	3.6
95.04969	1.8
97.02884	3.2
97.06522	3.4
100.07615	2.2
100.10632	1.9
100.11252	20.6
105.07030	1.0
106.04130	1.2
107.04966	2.4
107.08579	2.5
108.08909	1.4
109.10165	2.7
110.06062	2.1
111.04468	5.5
112.07589	2.0
119.04941	11.2
121.06530	2.1
123.04460	2.0
127.03942	1.9
128.07076	3.5
140.07080	1.5
141.11540	3.6
147.03297	2.4
147.04414	38.7
151.11201	6.4
152.11528	2.7
153.01822	81.1
154.02185	1.4
155.07024	2.4
165.01881	1.2
171.02907	1.5
182.15407	14.9
183.15775	1.7
189.05403	1.4
191.03430	1.3
195.02864	2.1
199.18059	1.5
209.08018	3.5
209.16437	5.0
210.14900	16.2
226.19112	1.3
227.17519	2.7
228.16022	2.4
245.18535	1.2
268.21332	2.3
273.07568	100.0
274.07883	3.1
304.20691	1.7
331.74649	6.5
353.75955	7.9
395.27890	1.5
404.28369	1.4
417.29117	5.7
426.29391	3.8
453.34409	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00934	0.9
53.03951	1.1
55.01863	1.0
65.03944	8.4
67.05504	3.4
69.03416	1.7
69.07059	0.9
70.74977	1.0
71.04987	1.2
77.03922	0.9
79.05493	9.0
81.03406	4.8
81.07046	2.6
82.04197	3.3
83.04961	0.8
85.02911	5.6
91.05489	3.3
93.03407	2.0
93.07032	1.5
95.04983	4.8
97.02901	1.3
97.06552	2.4
103.05491	1.5
105.04527	2.2
105.06969	1.2
107.04962	16.2
107.08569	1.5
108.02106	2.0
110.03658	4.1
111.04454	1.5
115.05464	3.3
116.98473	0.8
117.07036	3.7
120.02103	0.9
123.04459	2.8
124.05219	2.4
125.06036	3.9
127.03915	6.0
128.06244	1.3
129.07004	2.8
131.05016	1.0
131.08580	3.1
132.28886	0.8
133.02878	0.8
133.06483	2.7
135.11684	1.7
137.05974	2.0
138.03139	2.8
141.07033	1.6
143.04771	0.8
144.05748	4.4
145.06506	7.9
147.04419	1.1
152.04697	1.5
153.05487	6.9
153.12744	10.7
155.06047	1.8
157.06531	2.9
159.08057	4.1
161.05994	3.1
165.05438	1.0
167.07043	47.4
168.07391	1.4
169.07626	1.0
171.06544	5.2
172.05173	7.5
173.06029	4.6
175.07594	1.8
177.09108	1.3
181.04959	100.0
182.05322	2.7
183.06590	1.4
187.07524	6.7
189.05505	2.0
191.10681	2.7
195.06581	2.5
200.04704	3.2
201.05444	5.6
203.07042	1.6
205.08620	5.6
206.05792	2.1
207.06503	0.9
207.10190	1.8
217.08551	1.0
218.05692	5.2
219.06499	1.0
219.10110	7.1
221.08084	5.8
233.08089	49.3
234.08461	2.2
235.07547	1.1
235.09680	3.3
245.08110	2.9
247.07445	1.5
251.09213	4.3
263.06815	1.2
263.09225	14.5
265.08667	2.6
291.06705	1.1
291.14520	1.2
295.09677	0.9
323.09103	1.5
335.09067	1.0
339.12216	2.0
344.12601	1.0
355.11865	3.3
357.13242	0.8
367.11740	3.9
369.13226	1.0
371.14703	1.4
381.13425	2.0
384.12253	1.0
387.14322	12.5
399.14496	6.7
417.15436	37.9
418.15445	1.9
435.19760	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	435.1652
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
55.01866	1.4
55.05505	3.2
59.15367	0.8
65.03943	7.9
67.05505	3.7
69.03431	3.5
69.07086	0.9
70.82167	1.5
75.04472	1.9
78.04732	2.2
79.05510	7.1
81.03401	4.0
81.07041	1.6
82.04204	1.8
83.08619	2.3
84.08160	1.2
85.02913	5.7
91.05496	7.1
93.03399	5.0
93.07053	3.8
95.04996	4.7
96.85940	0.8
97.02882	1.5
97.06516	4.7
99.04472	1.0
100.07620	1.1
100.11259	8.1
101.08286	0.9
103.05479	1.8
105.04524	1.7
105.07032	2.5
106.04169	8.4
107.04953	15.7
109.06532	2.1
110.03667	3.0
111.04468	3.5
115.05474	3.2
117.07042	4.0
121.06532	10.4
123.04437	4.1
124.05225	3.6
125.06005	5.8
127.03903	5.0
128.07133	1.2
129.07001	2.7
131.04938	2.0
131.08569	3.1
133.06509	1.8
134.03638	2.2
136.95490	0.8
137.05998	2.2
138.03090	1.0
139.07539	1.4
141.06992	1.7
141.11552	1.7
142.04123	0.9
144.05707	3.8
145.06488	7.8
147.04451	1.4
149.05989	11.4
151.07513	1.0
152.04698	1.3
153.05496	7.2
153.09084	4.2
153.12744	2.9
155.04962	1.1
155.06070	2.2
155.07130	2.1
157.06473	2.6
159.08066	4.2
161.05956	4.9
165.05589	1.3
167.07047	40.9
171.04388	1.8
171.06587	5.9
172.05183	5.9
173.05983	4.8
175.07549	2.0
175.61295	0.9
177.05467	7.1
179.07190	1.2
181.04964	100.0
182.05313	2.9
182.15408	4.6
187.07545	7.3
189.05518	2.3
191.07025	1.6
191.10692	2.2
193.05083	1.3
195.06541	1.7
199.18140	1.1
200.04762	4.0
201.05479	7.3
202.06171	0.9
203.07024	1.4
205.08624	4.8
206.05705	2.0
209.08089	20.6
209.16470	1.5
210.14915	6.5
213.05513	1.0
217.08783	1.3
218.05702	5.6
219.08238	2.2
219.10201	5.6
221.08107	6.7
233.08092	45.6
234.08559	1.7
235.07632	1.2
235.09734	2.8
245.08125	2.4
247.07814	1.5
248.17227	1.0
249.09096	0.9
251.09233	4.1
263.06937	0.9
263.09210	12.3
265.08618	2.2
279.10138	1.2
295.09531	1.1
307.09695	1.8
309.07205	1.0
323.09155	1.3
331.74585	3.7
335.09372	1.4
339.12448	2.3
344.12247	1.2
344.75107	1.0
353.75803	1.3
355.11844	3.2
356.12360	1.1
367.11676	3.2
368.11957	1.0
371.14886	1.5
381.13327	2.2
387.14362	7.2
399.14346	4.2
417.15433	20.3
417.29239	1.7
418.16013	2.3
426.29608	1.1
435.19543	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	435.1655
Annotation	Lophodiol B
Peak:m/z	Relative Intensity
52.03180	0.3
55.48339	0.2
59.77168	0.3
65.03938	1.3
66.30067	0.3
67.05498	0.6
69.03437	0.6
69.24908	1.1
70.06599	0.3
72.08124	0.3
77.02598	0.2
78.04713	0.5
79.05499	2.9
81.03424	0.4
81.07043	0.7
82.04192	0.4
85.02898	0.8
90.41088	0.3
91.05475	1.1
93.07041	0.9
95.04951	1.1
97.02905	0.4
97.06543	0.4
103.05476	0.4
105.07017	0.6
107.04956	5.9
107.08589	1.1
110.03690	0.4
115.05442	1.9
116.06238	0.4
117.07006	1.3
119.08569	0.3
123.04424	1.0
124.05214	1.4
125.05968	0.8
126.88979	0.3
127.03896	0.9
128.06296	0.3
129.06995	1.2
131.04935	0.3
131.08511	0.3
133.06487	1.2
135.11696	0.8
137.05942	0.4
138.03195	0.3
141.06998	0.4
143.04929	0.4
144.05721	1.5
145.06477	3.4
147.04460	0.5
147.08044	1.0
147.55096	0.3
152.04672	0.8
153.05458	0.8
155.04927	0.5
155.06036	0.9
155.07129	0.3
156.05696	0.3
157.06517	2.1
159.04442	0.3
159.08066	0.8
160.05167	0.4
161.05989	3.2
161.09679	0.3
167.07043	18.2
168.07394	0.5
169.07646	0.3
171.04317	0.3
171.06572	0.4
172.05191	16.9
173.05981	2.4
174.06735	0.3
175.07524	1.7
181.04958	14.9
182.05278	0.5
183.06595	0.5
184.05260	0.4
185.05981	0.7
187.07565	1.8
188.04694	0.5
188.08041	0.3
189.05446	2.8
190.06267	0.7
191.03535	0.3
191.06850	0.5
191.10686	0.3
191.23758	0.3
195.06549	0.4
200.04698	8.9
201.05490	1.9
202.06245	0.5
203.03323	0.4
203.07016	0.6
205.08621	1.7
206.05579	0.6
207.06476	0.5
207.08241	0.4
207.10176	0.7
211.06078	0.9
217.08640	1.0
218.05728	12.9
219.06403	1.0
219.08194	0.6
219.10231	1.1
221.08073	2.9
225.92853	0.3
230.05902	0.3
231.06512	0.9
233.08083	100.0
234.08443	3.8
235.07564	0.7
235.09625	0.8
237.09074	0.3
245.08072	1.2
247.07602	1.3
248.87082	0.3
251.09050	0.9
252.26450	0.3
262.06180	0.6
263.09180	18.2
264.09723	0.6
265.08539	1.0
277.08588	0.5
279.09918	0.5
288.07715	0.3
291.06607	0.5
292.07339	0.6
293.07889	0.4
295.09695	0.3
298.04645	0.3
306.08798	0.5
307.09671	1.1
309.07504	0.7
315.20508	0.3
320.06668	0.4
323.09137	0.8
324.09970	0.4
327.12265	0.4
331.08200	1.2
335.09030	0.6
337.06845	0.5
339.12247	1.4
346.10477	1.1
352.09525	0.4
353.10046	0.7
355.11630	1.0
357.09784	0.4
367.11823	2.8
368.12549	0.4
371.14880	0.6
372.12003	0.4
384.11832	0.5
387.14377	1.7
399.14352	2.2
417.15430	17.2
418.15744	1.0
419.19867	0.5
434.78513	0.5
435.20148	1.1
436.22107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2494
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.10915	0.8
55.05515	3.6
57.03438	2.4
57.07064	2.5
61.24779	0.8
67.05499	13.3
69.07076	4.9
69.46395	4.0
71.08626	1.4
77.00921	0.9
79.05489	4.6
81.07061	12.9
82.99821	0.9
83.08627	2.8
85.01396	1.5
91.05489	2.9
93.07056	4.9
95.08607	11.7
97.06551	1.2
97.10178	1.8
98.98464	16.8
101.00889	5.8
103.02465	5.2
105.07016	1.9
107.08592	2.8
109.10181	5.7
113.00897	1.4
115.02439	2.7
119.01926	17.8
119.08578	1.9
121.03474	1.2
121.10143	2.9
123.11739	1.5
127.02418	1.1
131.01897	4.8
133.03464	20.4
133.10165	1.4
134.03540	1.3
135.11693	1.9
137.02956	3.0
137.13229	1.8
139.11195	1.1
140.99490	2.1
142.03458	1.5
145.03468	13.0
146.03671	1.0
147.11707	1.2
149.02983	1.8
149.13203	1.4
151.04510	6.1
155.01036	12.6
156.05063	1.7
157.03497	3.0
161.13266	1.0
163.04492	4.1
163.14908	1.4
168.05093	0.9
175.04523	100.0
175.14821	1.1
176.04654	2.2
193.05603	2.3
193.80132	0.8
197.02113	3.9
216.07224	2.0
223.11789	0.9
245.22655	2.8
263.23691	11.5
264.94833	0.9
267.47858	0.9
301.20114	79.4
302.20428	6.0
317.19604	1.1
319.21204	10.7
335.25818	1.5
337.27347	13.0
342.22702	6.9
343.23398	1.2
357.22409	0.9
375.23724	8.4
417.24451	1.0
435.26199	19.5
435.31149	2.1
436.26242	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.7
57.03429	1.7
57.07069	1.6
67.05508	10.0
69.07081	4.7
69.15141	2.7
69.15545	1.4
71.04993	1.0
71.08620	1.1
77.00918	1.5
79.05495	3.4
80.81937	0.8
81.07048	8.9
82.99848	0.9
83.08614	1.9
85.01384	1.7
85.10117	0.7
86.92638	0.6
91.05464	2.3
93.07043	3.9
95.08603	9.2
97.10168	1.6
98.98477	9.3
101.00867	4.9
103.02460	4.4
105.06999	1.6
107.08583	2.2
109.10144	2.2
115.02420	2.5
119.01928	15.8
119.08607	1.3
121.03475	1.3
121.10137	1.2
123.11687	1.3
125.09622	0.7
127.02456	1.5
131.01884	5.5
133.03458	19.9
133.10136	1.4
134.03633	0.9
135.11691	1.1
137.02951	3.6
140.99477	2.2
142.03516	1.1
145.03482	11.2
151.04489	5.1
155.01035	6.9
156.05061	1.4
157.03502	3.7
161.13254	0.9
163.04463	3.2
168.05106	1.3
173.02071	1.6
175.04524	100.0
176.04659	4.6
193.05588	2.3
197.02129	2.8
213.09697	0.8
216.07166	2.4
238.34734	0.8
245.22725	1.7
263.10629	0.6
263.23706	4.2
274.46771	0.8
294.57233	0.7
301.20120	71.6
302.20422	5.4
319.21155	9.5
335.25632	1.1
337.22345	1.3
337.27335	8.6
342.22745	8.4
343.23013	1.2
375.23807	8.4
383.03613	0.9
393.52127	0.7
417.24844	1.6
435.26089	22.5
435.31723	1.4
436.19366	1.1
436.25974	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	0.3
52.08514	0.2
52.68809	0.2
53.03933	0.5
55.01868	0.7
57.03442	1.8
61.02927	1.5
65.03936	0.3
69.03432	2.9
69.34325	1.0
70.12630	0.3
71.01356	0.6
73.02920	9.0
73.95052	0.2
74.09729	0.2
77.03923	0.4
79.05479	0.9
81.03408	0.3
85.02907	6.7
85.74979	0.2
87.04455	0.4
95.04971	1.3
97.02890	4.8
98.22748	0.4
99.04453	0.4
103.03925	0.3
105.04516	0.6
107.04955	100.0
108.05297	2.2
109.02879	0.5
111.04443	1.0
115.03927	2.5
121.02858	2.7
127.03899	2.1
133.04956	2.6
135.04422	0.5
137.06021	0.3
139.03932	1.5
145.04964	3.0
150.07617	0.7
161.05968	0.4
163.06049	1.9
171.06538	1.6
181.04944	1.6
195.06505	0.3
195.22055	0.2
199.06117	0.2
211.07635	0.3
211.09601	0.3
223.06087	0.5
241.07077	0.5
242.05679	0.3
257.08167	1.8
259.08188	1.9
272.00519	0.3
274.10873	0.6
295.10327	1.6
304.13885	0.3
411.41742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.9
61.02929	1.0
69.03426	1.9
73.02596	0.5
73.02924	5.1
79.05479	1.0
80.32587	0.5
85.02899	2.0
90.28212	0.4
95.04960	1.3
95.65778	0.4
97.02895	2.5
105.04515	0.7
107.04960	100.0
108.05279	2.5
115.03956	2.2
121.06508	1.8
129.56570	0.5
138.09091	0.8
246.76410	0.5
436.18280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01898	1.1
55.05517	3.6
56.54839	0.8
57.03445	4.0
58.14238	0.8
65.03946	1.1
67.05504	12.4
69.03437	1.3
69.07071	5.5
69.60848	2.0
71.04996	5.4
76.11374	0.8
79.05499	10.6
81.03413	2.1
81.07063	15.0
83.05001	4.3
83.08629	3.3
85.02909	6.7
87.00847	1.5
90.49336	0.8
91.05483	12.7
93.07047	19.2
95.04983	19.2
95.08613	10.6
97.02884	1.2
97.06534	8.5
97.10180	1.1
99.04471	1.0
105.01892	1.5
105.07034	11.8
107.04958	8.6
107.08605	9.7
109.02898	1.2
109.06528	3.2
109.10162	5.5
111.04454	3.0
111.08043	1.1
117.07011	5.8
119.08607	8.6
121.06528	2.0
121.10165	2.2
123.08106	2.0
123.11694	1.4
127.03954	2.5
129.07019	2.9
131.08626	1.6
133.06470	5.9
133.10165	5.2
135.11696	5.5
137.09674	1.7
143.08583	5.0
145.10156	2.7
147.08087	2.0
147.11658	1.2
157.10146	1.1
159.11736	2.7
161.13248	7.4
163.11206	5.7
168.85057	0.9
175.14792	1.7
177.12814	2.0
179.14323	16.7
185.13234	5.2
203.14366	5.4
221.15372	30.0
264.19577	1.5
295.19052	100.0
296.19370	5.1
375.15787	2.0
428.89841	0.8
436.20490	3.4
437.21429	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	8.4
57.07049	3.9
59.04989	10.5
61.02901	6.0
62.20251	3.4
67.05502	18.4
69.03431	15.3
69.07069	60.6
71.04993	6.5
73.02897	3.6
73.31908	3.0
79.05483	13.5
81.03413	10.2
81.07067	19.1
83.04967	11.1
85.02903	42.8
85.06527	14.4
87.00836	28.1
88.06188	3.1
91.05490	22.5
91.69019	2.9
93.07041	100.0
94.98664	3.1
95.04961	6.1
95.08607	65.8
97.02892	24.8
97.06528	22.0
99.04479	5.9
101.81070	3.5
105.01859	55.6
105.07022	9.4
107.08589	82.9
109.02866	10.3
109.06539	4.0
109.10152	29.3
117.01926	3.4
119.08554	7.3
119.24606	3.0
123.11689	10.3
123.12566	3.3
127.03914	41.2
135.11694	96.1
145.04968	31.3
153.12714	34.8
159.02887	6.4
212.16141	3.3
231.05077	13.2
249.06021	8.1
349.48892	3.5
391.66293	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04276	1.2
53.03946	3.5
55.01871	3.0
55.05510	11.7
55.54538	1.2
57.03437	4.0
57.07069	2.1
57.15977	1.3
59.04997	11.8
61.02912	1.6
62.49698	1.4
67.05504	16.7
69.03428	15.4
69.07065	53.0
69.09525	1.5
69.40865	4.9
69.41283	2.3
71.04975	5.5
73.02937	2.1
77.03909	2.9
79.05477	10.8
81.03421	9.7
81.07056	20.6
83.04971	12.8
83.08618	5.1
85.02904	43.9
85.06544	16.7
87.00826	20.1
91.05477	22.4
93.07044	100.0
94.07384	1.5
95.04983	6.4
95.08605	57.2
95.09220	2.8
96.08958	2.1
97.02890	25.7
97.06535	22.1
99.04463	5.4
105.01867	45.1
105.04526	2.8
105.07035	8.9
107.08590	76.2
109.02885	11.5
109.06512	2.4
109.10154	38.0
119.08562	6.7
120.09356	1.8
123.11712	6.1
127.03912	37.9
135.11685	92.0
136.12085	2.3
145.04953	24.6
153.12732	27.7
156.32553	1.6
159.02917	4.4
173.04544	1.8
189.03775	1.5
228.42358	1.5
228.93423	1.5
231.02930	1.5
231.04979	10.5
249.06117	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	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01875	6.2
55.05507	4.3
56.90034	2.0
57.03442	5.0
60.88040	2.0
61.02924	4.3
66.66995	2.0
67.05504	10.0
68.99780	2.2
69.03423	22.2
69.07069	6.2
69.47201	9.9
71.04993	5.3
72.08154	2.6
73.02928	4.9
79.05495	9.0
81.03430	18.7
81.07056	19.7
83.04974	3.0
83.08627	3.3
83.94896	2.0
84.04523	3.7
85.02901	62.8
87.00820	22.5
91.05482	9.1
93.07037	45.1
93.07598	2.8
95.04966	2.8
95.08607	29.6
97.02888	22.8
97.06533	26.8
98.23537	2.2
98.97643	2.0
99.04435	11.5
105.01871	22.8
105.07024	4.8
107.04977	2.3
107.08590	52.3
109.02879	19.8
109.10159	36.3
111.08070	2.1
116.01656	2.1
119.04926	2.3
119.08585	5.1
123.11719	12.9
124.15796	2.5
127.03909	39.6
133.10077	2.8
135.11690	100.0
136.12117	2.4
137.13263	2.7
141.12700	2.3
145.04944	20.8
147.03256	2.4
147.04428	14.7
153.12737	71.7
155.10597	2.2
159.02911	14.1
159.11633	2.2
167.06993	3.9
171.13788	75.8
172.14259	3.7
181.04955	2.8
193.12216	2.8
213.03947	2.6
231.04980	11.3
233.08289	1.9
243.13783	2.1
291.16953	5.2
370.03052	2.2
419.19284	2.7
436.22134	8.5
437.21411	2.3
437.47037	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19123	2.3
53.03932	5.0
55.01870	5.4
55.05508	9.5
57.03404	2.3
65.03942	3.6
67.05497	8.7
68.99805	2.5
69.03432	26.8
69.07076	5.8
69.91159	4.7
69.91495	3.4
70.06552	2.5
71.05000	3.7
72.08147	5.7
73.02913	6.8
74.96382	1.9
79.05477	13.7
81.03419	18.4
81.07057	16.3
81.09112	2.1
85.02901	52.3
86.09697	5.9
87.00830	24.7
91.05477	24.9
91.57886	2.1
93.07045	79.7
93.18456	2.1
94.07363	3.3
95.04969	11.2
95.08600	24.3
97.02892	28.4
97.06518	3.9
98.06037	5.1
98.97075	2.0
99.04443	9.3
105.01872	37.8
105.04510	2.8
105.07050	10.2
107.04962	18.1
107.08592	100.0
108.04459	2.5
108.08941	2.2
109.02889	13.1
109.06505	4.6
109.10182	4.1
113.07146	4.8
117.01893	2.5
119.04918	4.2
119.08551	2.9
120.08141	2.4
121.06508	3.3
121.10131	3.8
123.04442	4.6
127.03027	3.3
127.03921	45.9
133.10182	3.3
135.11690	65.9
145.04961	22.9
146.03607	2.8
147.04408	7.6
148.04755	4.3
149.05963	5.3
153.01834	16.8
153.12755	8.7
154.02188	6.6
155.11810	9.2
159.02902	9.8
167.06906	3.2
171.04312	3.4
175.11060	2.6
177.05617	3.5
189.04037	3.1
198.12335	7.6
209.08087	6.6
213.19452	2.3
219.08218	2.6
231.04938	11.7
238.17836	2.4
243.13857	2.8
247.07553	4.0
249.06105	2.2
261.14694	2.6
263.06992	3.5
265.08524	9.6
273.07562	8.4
274.07901	20.2
274.20163	10.1
275.08984	3.6
286.06952	3.7
291.06522	5.4
293.70706	2.2
322.14325	5.0
342.02078	2.4
348.12335	5.7
373.70905	2.1
380.56573	2.7
383.16861	2.6
419.19601	6.0
436.22290	44.7
437.17639	17.5
437.22592	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05922	1.3
53.03949	10.3
55.01869	11.4
57.03428	6.4
57.07071	2.5
61.02922	7.7
67.05501	2.0
68.99782	2.4
69.03429	30.1
69.07075	3.5
70.33371	3.1
70.33719	2.4
71.05000	6.0
73.02914	8.3
81.03419	32.4
81.07037	3.1
85.02911	100.0
85.06557	2.4
87.00832	38.9
90.87482	1.5
91.03951	2.3
91.05413	2.1
93.07021	2.0
95.04982	2.3
95.08607	5.5
97.02896	48.2
97.06528	2.2
99.04453	17.1
104.11319	1.5
105.01867	43.1
105.07029	1.9
107.08600	2.3
108.04475	14.3
108.76619	1.3
109.02884	39.3
109.06529	2.5
109.10145	3.6
115.03937	2.5
115.51788	1.4
117.01858	6.7
119.08578	1.4
121.06514	2.0
121.10152	2.7
123.08031	1.6
126.05538	4.9
127.03919	79.2
129.01791	4.3
133.10118	2.1
137.09633	6.8
141.79231	1.5
145.04964	38.4
147.02901	3.6
153.12761	8.2
155.10654	2.2
159.02890	24.7
160.03267	1.6
165.09140	1.9
171.13823	7.5
174.09155	1.5
184.61967	1.7
189.03976	1.7
197.13358	1.5
213.03946	4.3
230.06616	4.2
231.05013	18.5
239.16431	6.8
248.07675	6.4
249.06082	1.6
249.11417	1.5
257.17554	3.7
261.14832	2.0
358.92801	1.6
365.16486	1.8
383.16916	2.9
436.22742	3.9
436.28430	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05725	1.4
53.03941	8.2
55.01871	6.0
55.05510	6.2
57.03435	4.5
61.02934	4.3
67.05505	5.6
67.69429	1.5
68.99778	3.3
69.03429	22.8
69.07065	5.7
70.15788	2.8
71.04990	4.7
72.08178	1.4
73.02921	6.0
77.03918	3.6
79.05500	14.1
81.03416	23.0
81.07058	11.3
83.04987	2.4
85.02901	60.1
87.00829	24.4
91.03949	1.7
91.05479	18.5
93.07043	81.5
94.07397	1.8
95.04993	6.6
95.08615	11.5
97.02897	26.0
97.06534	7.6
99.04466	13.4
105.01871	27.1
105.04510	2.7
105.07031	7.9
106.07390	1.6
107.04967	2.0
107.08595	100.0
108.08902	2.7
109.02881	24.8
109.03558	2.4
109.06508	2.6
109.10168	5.9
117.01861	4.1
119.06105	2.1
119.08598	2.7
127.03911	50.2
129.01869	4.7
135.11690	61.5
136.12009	2.7
137.13257	3.0
143.24947	1.5
145.04961	24.8
147.02890	2.6
152.97180	1.4
153.12770	6.3
155.11761	3.1
159.02910	19.6
171.13788	2.6
219.08034	2.2
231.04993	10.7
243.13811	2.3
247.07440	2.0
261.14960	2.3
265.08600	2.7
291.06445	2.5
322.14423	2.3
347.14786	1.7
348.12405	2.4
419.19730	5.4
432.43774	1.5
436.22314	18.9
437.21945	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	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.5
55.01873	12.8
55.05514	2.3
57.03439	7.7
60.04526	2.1
60.75233	1.4
61.02932	6.3
65.50020	1.5
67.62204	1.4
68.99813	3.9
69.03429	29.8
69.07082	3.3
71.04996	4.7
71.35491	1.5
73.02921	9.7
80.46899	1.8
81.03416	30.8
81.07065	3.2
82.03757	2.0
83.08638	2.3
85.02908	100.0
86.03237	1.8
87.00832	38.1
91.03966	2.9
96.01256	1.4
97.02895	48.5
97.06506	1.6
98.06060	3.1
98.63239	1.6
99.04455	18.7
105.01869	42.5
107.08575	1.9
108.04480	14.6
109.02879	36.4
109.10138	1.9
117.01846	6.1
121.06489	3.3
123.11671	2.2
126.05534	7.2
127.03918	78.2
128.04240	1.8
129.01842	4.4
129.35864	1.4
142.96710	1.5
145.04973	40.2
147.02904	4.5
151.22688	1.4
153.12744	2.6
159.02896	26.7
171.13762	1.9
177.03906	1.6
182.15450	2.2
210.14938	2.2
213.03995	5.2
230.06534	4.4
231.04968	17.4
248.07684	10.0
249.06111	4.0
261.14948	2.3
266.08685	2.1
299.37814	1.7
303.23276	1.7
383.16779	2.1
436.23389	3.1
436.28732	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	9.2
54.06691	1.5
54.74355	1.5
55.01875	11.9
57.03439	8.6
57.07086	1.6
61.02931	6.7
62.09066	1.4
63.66300	1.5
67.05508	4.7
68.99796	5.5
69.03432	40.8
69.07077	8.3
70.62465	3.1
71.05001	4.9
73.02918	10.6
76.98292	1.4
79.05507	15.7
81.03425	33.2
81.07053	12.7
83.08637	3.0
83.82352	1.4
85.02907	100.0
87.00831	39.6
87.04488	2.0
91.03960	2.5
91.05485	6.6
93.07046	34.6
95.04955	2.4
95.08608	6.8
97.02895	49.8
97.06544	1.9
99.04465	17.0
101.02355	1.6
105.01867	41.9
105.04507	1.6
105.07063	3.3
107.08600	24.9
109.02882	30.1
109.10172	1.6
110.03205	1.8
115.03963	4.3
117.01866	6.6
121.06493	1.8
123.70528	1.4
125.13300	2.3
127.03918	71.9
129.01855	5.6
133.10115	3.6
135.11693	60.3
136.11961	2.0
137.09637	1.7
137.13277	4.5
145.04973	43.0
147.02924	5.2
153.12785	6.0
157.10104	2.7
159.02896	27.0
161.04454	3.2
177.03937	2.5
177.12753	1.7
189.03934	1.7
213.03999	3.2
219.04974	1.7
231.05020	15.1
247.04530	2.1
249.06100	2.2
261.14810	2.3
308.04721	1.7
436.20227	20.0
437.21289	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.4
55.01868	12.0
55.05503	7.0
57.03428	4.4
61.02933	4.6
67.05472	4.9
68.88410	2.1
68.99784	4.2
69.03426	30.4
69.07073	2.7
69.42608	8.4
71.04979	4.0
73.02912	6.3
79.05484	16.2
81.03411	28.0
81.07053	14.2
84.08165	2.2
85.02404	3.8
85.02901	67.0
85.87693	1.9
86.91324	2.0
87.00827	30.7
87.48625	1.9
91.05480	30.8
93.07044	87.1
95.04957	8.9
95.08619	4.8
97.02888	33.0
97.06512	4.6
97.67097	2.1
98.06051	2.9
98.22746	4.2
99.04456	11.5
105.01862	33.3
105.04507	4.6
105.07033	11.2
107.08592	100.0
109.02887	23.7
109.06512	6.5
110.32405	2.2
115.03890	5.0
117.01852	2.6
117.71835	2.4
119.06066	3.5
119.08598	3.3
127.03020	3.7
127.03915	50.4
129.01820	4.0
133.10129	3.3
135.11688	95.7
137.13222	5.2
145.04945	26.0
145.10085	2.0
147.02863	3.2
147.04401	3.2
147.11676	2.3
153.12747	9.4
159.02876	14.5
165.12712	3.8
196.38010	1.9
213.03978	2.5
219.08058	2.1
231.04916	8.2
243.13783	2.4
261.14835	7.0
265.08585	3.3
322.14401	3.2
348.12262	3.5
365.15805	2.5
382.82950	2.4
419.19550	8.5
436.22626	16.7
437.22375	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	436.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22927	0.6
55.05502	1.0
59.05009	1.5
61.89560	0.6
67.05506	1.4
69.03407	1.2
69.07066	2.2
70.32497	1.4
70.32816	0.7
71.04993	10.7
73.06562	3.2
79.05486	2.9
81.03406	1.2
81.07062	15.6
84.08133	1.7
85.02925	3.9
85.03356	0.6
87.00864	1.7
91.05482	1.8
93.07050	12.3
95.08604	2.0
97.02903	1.6
97.06544	1.3
105.01881	3.4
105.07009	1.8
107.04939	0.7
107.08600	9.5
109.10164	1.5
111.08060	0.8
119.04960	1.7
119.08588	0.7
127.03902	1.4
135.11699	17.3
136.12045	1.1
145.04985	1.4
147.04416	7.4
153.12749	100.0
154.13101	3.1
167.07054	2.3
168.07411	1.1
171.13817	1.0
181.04915	4.2
182.05309	3.3
203.17891	1.1
231.04866	0.8
233.08104	1.4
234.08415	3.1
236.19359	0.7
247.14449	1.6
248.16512	0.7
273.15802	0.7
291.17065	2.2
297.17041	0.7
418.15833	2.1
419.19617	0.8
436.21899	2.2
437.21307	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01869	3.5
55.05508	4.9
57.03421	3.9
57.07068	4.3
61.02923	2.1
61.91143	1.7
62.67088	1.4
65.03946	2.4
67.05502	21.3
69.03423	13.7
69.07069	20.1
71.05007	1.6
73.02929	3.3
79.05489	16.4
81.03408	10.2
81.07053	71.6
83.04974	1.7
84.43591	1.4
85.02903	35.9
85.06544	5.6
87.00822	16.1
91.05468	15.2
93.07041	70.5
95.04971	6.2
95.08603	41.1
97.02896	15.1
97.06525	100.0
99.04446	5.5
105.01862	15.9
105.04517	2.4
105.06995	7.5
105.68630	1.9
107.04951	2.3
107.08588	53.4
109.02859	12.4
109.06522	2.9
109.10154	27.5
111.08092	2.2
115.03927	4.4
117.01868	2.2
119.08566	4.1
121.06494	2.7
121.10138	2.5
127.03915	21.0
129.01871	2.2
133.10106	2.6
135.11685	47.7
136.12059	2.0
137.13252	43.6
137.14307	2.4
138.13570	1.6
145.04945	8.6
147.11705	3.2
148.69876	1.7
151.56036	1.5
153.12720	20.7
159.02910	5.9
165.12791	3.9
167.07144	1.5
171.13824	3.9
186.83824	1.6
189.44456	1.7
193.03214	1.8
219.05029	2.0
219.37398	1.5
231.05008	4.7
233.08044	2.7
234.08369	3.2
249.06003	3.3
261.14899	2.5
388.14334	1.7
436.21783	3.4
437.21829	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75285	0.6
55.01865	1.6
55.05510	2.8
56.60560	0.6
58.06602	1.0
58.72096	0.7
66.30112	0.5
68.54756	0.6
70.06587	1.7
70.73081	1.1
72.08159	6.7
74.43120	0.6
79.61240	0.5
82.02984	0.6
84.08152	3.0
85.02927	0.7
91.05426	0.6
98.06058	8.0
107.04961	3.9
112.11239	1.0
113.07131	4.6
115.05482	1.9
117.03414	0.6
119.04975	1.2
120.05727	2.9
121.02872	2.0
127.08701	2.8
131.04924	0.7
135.11682	0.6
143.04912	4.4
144.05721	3.0
145.06467	1.4
153.10249	0.7
155.11792	14.7
156.89137	0.7
156.97643	0.6
158.95518	0.6
159.04456	0.6
170.05983	0.6
171.04405	6.5
171.05605	0.7
171.37079	0.6
172.14491	5.3
176.10689	0.8
181.06488	1.3
181.10178	1.1
190.07864	0.7
191.08569	4.8
193.49428	0.6
194.07320	1.5
198.12401	6.0
201.06999	1.0
207.08081	2.3
209.09689	2.1
218.07335	1.6
219.08043	11.8
220.08707	0.7
223.07607	2.2
225.09169	0.9
229.07568	2.1
235.07529	5.0
237.09126	9.6
238.09554	0.7
239.10738	1.9
247.07544	13.4
248.08138	1.5
262.08603	0.8
263.06995	4.6
265.08615	27.0
266.08954	2.1
290.08267	1.5
291.06540	9.0
299.63989	0.6
320.12875	0.9
322.14395	21.1
323.14688	1.4
348.12277	7.5
349.12494	0.7
381.18225	1.4
418.21323	0.8
419.19650	30.7
420.19980	3.0
436.22330	100.0
437.22787	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	436.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.9
55.05507	2.9
55.05700	0.7
57.03392	2.0
58.06555	1.0
59.04934	0.6
61.02890	1.1
65.86993	0.6
67.05499	5.7
69.03383	2.8
69.07066	3.5
70.06587	8.3
70.52853	0.6
71.04932	1.1
71.46552	0.7
73.02875	1.0
79.05495	5.6
81.03376	1.8
81.07056	8.4
82.06527	0.9
83.04938	1.3
83.08563	0.8
84.08108	1.0
85.02888	5.3
85.06510	1.0
91.05486	4.0
93.07043	8.2
95.04942	0.9
95.08047	0.6
95.08599	9.6
96.08099	0.9
97.02847	2.4
97.06507	1.5
97.10090	0.7
98.09637	0.7
99.04394	0.8
105.07030	3.3
105.07567	0.6
107.04897	1.6
107.08589	4.7
108.08829	0.7
109.02849	1.0
109.10106	2.0
111.04468	1.1
115.03872	1.4
117.06993	1.3
119.08584	6.0
121.06496	1.0
121.10132	4.1
124.11208	1.5
127.03862	1.0
129.05435	1.7
129.06972	0.9
130.96271	0.6
131.08508	1.1
133.06413	0.7
133.10066	2.7
135.11697	3.0
143.08598	1.1
147.04370	0.8
147.08003	1.3
149.09532	0.7
155.06989	1.2
159.11617	0.9
161.09564	1.1
161.13258	9.9
175.14813	0.7
175.95793	0.7
179.14285	2.9
185.13281	1.2
189.09024	0.9
190.84979	0.6
194.19019	4.8
196.16956	14.9
197.15346	1.5
197.17191	1.0
203.14291	0.9
212.20038	3.0
220.16980	3.0
221.11760	3.3
221.15254	2.2
238.17995	7.6
239.12708	1.8
239.16425	1.5
256.19086	34.1
257.19363	1.7
274.20114	100.0
275.20413	4.7
316.21118	1.2
367.87244	0.6
382.22446	0.8
400.23358	2.1
418.24548	2.9
436.25476	25.9
437.25812	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.05513	16.9
56.05027	2.1
56.31829	0.8
57.03429	1.7
57.07076	7.4
65.03938	1.7
67.05505	29.9
68.05814	0.7
69.03421	2.2
69.07069	33.3
69.07447	1.7
69.23270	4.1
71.04987	1.3
71.08626	2.6
79.05497	15.4
81.07056	82.1
82.07375	1.5
83.04988	2.2
83.08624	12.0
84.04505	64.9
85.02892	2.1
85.04837	0.7
85.06534	2.1
88.03992	0.9
89.75161	0.7
91.05468	10.9
93.07046	50.8
94.07387	1.0
95.04964	6.7
95.08607	82.4
96.08940	1.6
97.06535	6.0
97.10175	9.2
99.08099	2.8
102.05544	28.8
105.04509	1.5
105.07028	16.7
107.04947	1.2
107.08594	61.1
108.07237	0.7
108.08927	1.7
109.06525	2.4
109.10161	53.3
110.10459	0.9
111.08076	3.3
111.11732	5.5
115.05473	0.8
117.07014	1.6
119.06099	0.8
119.08580	17.3
121.06535	4.4
121.10145	42.3
122.10435	1.0
123.08095	3.7
123.11707	26.0
125.09624	6.1
127.11185	1.0
127.92438	0.7
129.07007	1.3
130.05000	48.0
131.08571	5.0
133.09177	1.2
133.10132	14.7
134.04497	2.1
135.08083	3.1
135.11690	22.0
137.09644	3.9
137.13249	9.5
139.11209	6.6
143.08569	1.1
145.10130	12.7
147.11693	10.8
148.06046	100.0
149.06435	1.5
149.09627	2.1
149.13257	30.3
151.11179	5.0
151.14830	15.8
153.12689	1.0
157.10143	1.3
159.11694	12.9
160.12080	1.0
161.09633	1.4
161.12045	1.4
161.13271	13.8
163.11182	1.9
163.14819	15.8
165.12752	3.2
165.16406	1.4
167.14365	0.8
171.11726	1.6
173.13264	8.0
175.11192	1.3
175.14810	7.5
177.12744	3.1
177.16376	7.0
179.14268	3.5
185.13219	0.9
187.14825	8.3
189.12679	1.2
189.16393	4.8
191.14297	3.2
191.17963	10.6
193.15868	2.2
199.14767	0.9
201.12657	1.0
201.16415	10.9
203.17928	1.9
205.15811	3.4
205.19559	1.2
207.17386	1.4
215.17932	8.2
217.19519	2.2
219.13792	0.9
219.17470	6.9
221.15494	1.1
228.08699	1.4
229.15878	1.0
231.21022	1.5
232.92337	0.7
233.15375	1.5
233.19000	1.9
243.21210	1.4
247.16953	1.7
257.22626	16.8
258.22900	0.8
259.20514	0.8
261.25867	0.8
267.21054	1.8
271.24173	10.4
271.26782	1.1
272.14978	2.7
275.20441	1.9
275.23682	17.8
276.24084	1.2
283.09647	0.8
285.22186	11.5
286.16498	12.5
289.25253	34.0
290.25650	2.3
298.16461	2.1
300.18048	1.1
303.23187	22.7
304.23419	1.3
307.26263	1.9
321.24124	1.0
328.21262	1.0
366.22818	3.5
380.24329	1.2
390.30099	1.2
418.24976	0.9
418.29782	1.6
436.21494	1.4
436.30786	22.3
437.21320	3.1
437.30911	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	436.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60186	0.8
54.56046	0.8
57.07082	7.0
58.06599	1.8
70.06591	15.1
70.33946	1.9
71.08637	3.6
85.83097	0.8
88.07632	17.9
88.08126	1.4
95.05006	0.8
102.09181	17.4
103.01859	2.0
116.78527	0.8
129.26808	0.8
135.04445	4.5
139.89075	0.9
153.05399	1.2
163.03897	74.7
163.04961	5.7
164.04239	2.1
198.98933	1.8
207.06523	78.3
208.06885	2.1
239.37479	0.9
256.26352	49.8
257.26624	2.0
278.24585	2.4
336.55969	0.9
341.19324	0.9
436.30600	100.0
437.19357	0.8
437.30847	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	436.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80752	4.9
55.05512	19.0
57.03455	7.2
59.04967	6.9
67.05511	56.3
69.07068	8.6
70.62609	6.5
70.72869	5.1
71.04996	16.3
71.08652	7.7
79.05493	14.4
79.20513	4.9
80.59014	4.5
81.07069	32.7
83.08617	8.2
85.06557	4.6
91.05480	14.3
93.07039	22.9
95.04971	7.0
95.08611	18.3
97.10171	7.7
99.08111	5.4
104.99277	5.1
105.07021	6.7
105.83263	4.5
107.08579	12.7
109.10186	38.5
111.08060	7.3
117.06979	4.6
119.08628	7.5
119.40553	4.9
121.10186	5.8
125.09683	7.3
149.13283	7.1
151.07562	11.1
151.10831	4.9
155.10690	10.1
159.11726	16.5
173.11749	27.0
177.12817	8.8
179.14291	5.9
198.92586	4.8
229.14357	100.0
230.14507	5.2
251.16313	6.4
269.17477	73.5
277.21594	10.3
351.18283	7.9
351.25372	9.4
376.14865	11.0
436.19846	13.3
437.19971	21.9
437.25793	24.6
449.14551	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	437.1424
Annotation	1-(3-beta-D-Glucopyranosyl-2,4,6-trihydroxyphenyl)-3-(4-hydroxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
50.60311	0.5
56.78769	0.6
69.23050	2.0
69.23451	1.2
70.98111	1.0
72.08165	0.7
84.08153	1.4
85.02919	0.7
105.07024	0.7
107.04982	0.7
114.97585	0.6
118.21291	0.6
130.53473	0.7
133.01755	1.2
137.06013	0.8
147.04428	1.6
161.05951	0.6
163.02838	0.7
177.04265	0.7
207.05350	1.0
214.54663	0.6
218.11935	0.6
221.07066	0.7
267.10208	0.6
292.06824	0.8
292.20093	0.6
309.40668	0.7
379.13492	1.1
393.24670	2.5
420.20059	1.1
437.14139	100.0
438.14297	6.1
438.23962	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	437.1445
Annotation	Licoagroside F
Peak:m/z	Relative Intensity
53.03936	0.2
55.05516	0.2
61.02914	0.2
67.01858	0.4
67.05513	0.2
69.46590	0.1
69.65076	0.6
72.08147	0.5
77.03922	0.2
79.05489	0.6
81.03423	0.4
84.55742	0.1
85.02917	1.3
86.09673	0.2
91.05484	0.4
95.04979	0.9
97.02896	0.4
98.22675	0.1
100.11250	0.5
105.04501	0.5
107.04951	100.0
108.05277	2.2
109.02849	0.2
111.00820	0.2
111.92256	0.1
112.11248	0.2
119.04928	1.0
119.31271	0.2
121.06522	0.4
123.04449	0.5
127.03914	2.6
131.04913	0.2
139.03894	0.2
145.05000	0.2
147.04405	4.2
149.05972	3.2
151.03903	2.4
153.01825	0.3
154.02122	0.1
169.04958	14.6
170.05283	0.6
173.06129	0.2
181.04980	0.5
193.04991	0.3
201.47961	0.2
202.63745	0.2
204.10176	1.5
210.16946	0.2
211.06105	0.2
218.11830	0.5
259.06354	0.2
275.09131	22.1
276.09433	1.0
276.21640	0.2
292.20221	0.5
317.10226	0.2
341.10126	0.2
353.10266	0.4
359.97000	0.2
365.10132	0.2
372.27313	0.2
421.20947	0.4
436.33438	0.2
437.13925	0.6
437.27444	0.2
437.33868	0.2
438.23859	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	437.1939
Annotation	Ligulacephalin A
Peak:m/z	Relative Intensity
58.09857	1.8
64.87299	1.8
67.05512	3.7
69.53023	4.4
69.53414	3.7
74.67043	1.8
93.07005	2.0
96.01856	3.3
98.23469	3.9
104.99271	2.3
108.32243	2.0
119.08588	1.9
136.21924	2.3
146.78514	2.2
154.64114	1.9
156.04062	2.0
391.17166	2.4
437.19409	100.0
437.25204	8.9
438.19424	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	437.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94757	1.8
64.22011	1.8
71.30596	1.7
72.63932	1.8
86.60153	1.7
87.61607	1.7
104.99269	8.4
123.61758	1.8
147.04431	3.6
161.40039	1.6
185.04218	4.5
208.12405	1.8
257.15100	3.2
262.98151	3.3
275.16190	78.9
276.16571	4.8
395.14041	1.9
407.50311	2.0
409.42117	2.0
412.22647	1.8
416.89517	2.3
437.14383	9.5
437.21417	100.0
438.21713	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	437.2152
Annotation	Leopersin N
Peak:m/z	Relative Intensity
55.05509	0.6
58.42743	0.5
62.02515	0.5
62.16289	0.5
69.83006	0.6
69.85767	0.7
69.86102	1.1
70.46159	0.5
74.97742	0.5
81.03405	0.6
97.10180	0.7
104.99274	0.6
137.06448	0.5
146.58617	0.6
147.11165	0.5
147.62709	0.5
189.11328	0.7
193.12361	0.6
208.05801	0.5
262.98239	0.5
267.96051	0.5
297.13107	15.4
297.16455	0.9
298.13544	0.8
351.17831	1.6
364.93991	0.5
437.21490	100.0
438.21960	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	437.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24217	3.5
57.68123	3.2
60.08621	3.1
67.05508	3.7
69.07059	10.2
71.45116	3.4
79.05478	4.3
81.07041	4.8
89.06022	6.5
95.08594	6.6
109.06464	3.6
109.10143	4.7
122.42137	3.3
125.05860	3.3
133.08647	4.5
135.00548	94.3
154.98521	3.6
168.77547	3.6
262.77847	3.1
292.82190	3.0
305.46912	3.6
325.21411	100.0
366.24002	12.1
437.23514	73.6
438.18329	7.5
438.23737	5.6
440.82938	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29163	0.3
52.01082	0.3
55.05496	0.6
64.93416	0.4
71.21499	0.5
72.08147	1.0
72.81586	0.4
84.08137	0.5
98.06080	1.1
107.04967	1.1
119.04948	0.5
142.65109	0.4
155.11823	0.8
167.07126	0.7
171.04434	0.6
172.14426	0.4
197.08929	0.4
198.12442	0.5
219.07986	0.6
220.08493	1.2
238.09500	0.9
247.07533	1.2
248.07951	1.1
263.06894	0.7
265.08600	2.3
266.08945	2.5
291.06479	0.8
292.06818	0.9
323.14758	2.1
349.12906	1.1
410.19894	0.5
420.19998	4.2
437.23489	100.0
438.23895	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	438.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60205	0.5
57.94322	0.5
67.05495	0.8
69.51595	0.9
69.51984	1.2
72.08152	0.9
72.88042	0.5
78.04715	0.7
79.05480	1.4
81.07046	1.7
84.04523	1.0
85.02892	0.7
91.05477	2.1
93.07050	1.2
94.15826	0.5
95.04976	0.8
95.08582	0.9
101.10728	0.6
102.05550	0.8
103.05466	0.8
105.07023	1.9
106.04179	1.0
107.04945	0.7
112.11259	0.8
119.04945	2.6
119.08501	0.6
122.92744	0.5
123.04433	3.1
124.05212	1.1
129.13795	0.6
133.06494	1.4
133.10176	0.7
135.11697	0.6
136.46693	0.5
147.04405	11.7
148.04843	0.7
148.05992	0.9
151.03795	0.7
152.04709	1.0
155.14284	1.3
161.05991	1.9
167.07045	100.0
168.07431	2.6
193.08594	4.1
203.05194	1.5
204.10272	3.4
208.62274	0.5
211.09679	8.7
234.18683	0.5
286.64813	0.5
292.20178	1.9
421.21390	0.6
438.18774	1.4
438.24124	6.6
439.23123	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	438.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.2
55.01890	1.0
55.05505	4.1
57.03419	0.7
57.07070	3.4
59.04993	1.6
61.02901	0.7
67.05489	2.9
69.03426	4.6
69.07059	3.8
69.59864	2.7
71.05000	3.8
71.08638	1.5
72.08146	2.5
79.05484	1.7
81.03417	4.1
81.07055	23.8
84.08131	1.7
85.02907	12.9
85.06525	1.0
87.00827	5.5
91.05479	2.1
93.07063	0.9
95.08607	39.6
96.08953	0.8
97.02904	3.6
97.10168	5.2
98.22748	1.5
99.04434	2.0
99.08139	1.1
105.01848	3.1
107.08514	0.8
109.02859	3.6
109.10144	3.0
112.49779	0.7
115.61705	0.7
119.04931	6.1
127.03905	6.8
137.13254	100.0
138.13625	2.1
145.04994	1.9
147.04402	31.7
148.04752	2.6
155.14314	24.8
159.02942	1.9
173.15372	43.7
174.15691	1.3
177.05641	0.7
189.43024	0.7
204.10229	8.8
218.11800	1.4
230.28055	0.7
231.04971	1.6
247.14433	1.1
248.14572	1.0
292.17258	1.4
292.20151	2.8
322.53882	0.8
421.21152	2.0
438.24033	12.6
439.23059	4.6
451.81100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2391
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
57.03420	1.6
58.06574	0.9
65.03928	0.8
67.05492	1.3
69.03416	1.2
70.06576	0.7
70.39204	0.9
70.39540	1.0
72.08157	8.6
73.02923	0.9
79.05489	1.3
81.07048	1.3
83.08611	0.8
84.08125	2.2
85.02909	1.3
86.09724	0.6
89.25142	0.6
91.05478	7.2
93.06995	0.8
95.04971	0.7
95.08605	0.7
97.02874	0.7
100.07606	0.5
100.18455	0.7
107.04893	1.0
109.10149	2.0
112.11234	3.1
119.04943	18.0
121.06483	0.8
121.10158	1.8
129.13876	2.4
145.04974	0.9
146.16536	1.4
147.04404	100.0
148.04730	2.5
149.05846	0.6
155.11797	1.0
172.80916	0.5
184.07375	1.0
184.74521	0.6
204.10193	27.7
205.10558	1.0
209.08105	1.4
209.25052	0.5
218.11768	7.6
234.26445	0.6
241.14394	3.8
245.06023	1.2
248.14716	0.6
268.04724	0.6
273.05469	5.6
275.17532	3.5
292.16962	1.1
292.20142	12.5
293.20764	0.8
305.07980	3.6
323.09106	1.6
355.52127	0.5
395.27316	1.4
420.22983	1.2
421.21149	7.9
438.23929	52.5
439.23773	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	438.2389
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
58.06588	0.7
65.03938	0.9
69.03406	0.3
70.73252	0.3
70.73586	0.4
72.08154	10.3
75.09217	0.8
78.44797	0.3
84.08134	1.9
91.04940	0.5
91.05477	7.5
91.14823	0.3
97.02891	0.3
101.10770	0.4
107.04949	0.3
112.10502	0.4
112.11234	4.6
119.04937	20.4
120.05296	0.5
129.13870	3.6
146.16527	2.8
147.04398	100.0
148.04710	2.0
149.07399	0.3
155.11801	1.3
171.21854	0.3
172.14502	0.4
173.11728	0.5
203.11832	1.1
204.10188	31.1
205.10529	1.4
209.07898	0.3
218.11752	6.2
221.12854	0.9
229.13475	0.3
247.14442	0.4
274.19064	0.4
275.17526	5.5
276.17926	0.4
289.15378	0.5
292.20181	15.3
293.20444	0.5
318.18201	0.6
322.06305	0.3
340.90665	0.3
352.66434	0.3
385.97678	0.3
421.21216	7.3
422.21320	0.6
438.23856	59.2
439.24176	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2392
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
55.05495	2.2
56.04996	2.2
58.06600	11.1
58.42871	2.2
68.99016	1.7
69.68678	5.3
70.06573	2.3
72.08154	21.6
79.55383	1.7
80.04999	1.7
84.08147	18.5
91.05479	4.1
98.22677	2.1
110.02410	12.7
112.11246	33.6
114.70554	1.8
119.04969	8.8
129.13863	5.3
137.07123	2.6
138.05490	3.9
147.04401	54.7
152.07077	6.3
155.08067	9.4
177.05670	3.0
185.04170	2.4
203.11809	20.9
204.10233	9.1
209.12828	9.5
218.11879	3.7
226.15599	2.6
274.19214	8.4
275.17587	6.0
276.21722	3.8
292.20242	10.2
421.21176	13.6
438.23843	100.0
439.15686	46.9
439.24219	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	438.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60412	0.7
60.29386	0.7
69.12210	5.1
73.28700	0.8
79.05495	1.8
84.08159	0.8
91.05474	3.4
95.04928	0.8
97.99194	0.8
98.23509	1.7
105.03348	1.1
105.06998	1.3
107.04942	4.4
108.05740	3.1
108.64996	0.7
119.92389	0.9
121.06485	2.2
135.04385	1.3
135.08026	1.1
136.05205	4.0
137.06007	2.7
138.06795	1.8
145.06503	0.8
146.07321	0.9
147.08087	1.2
148.05208	5.3
149.05908	1.6
150.06761	0.9
151.07544	100.0
152.07887	3.1
159.08067	1.2
160.08852	1.0
161.05971	2.5
163.07581	4.0
164.08313	0.8
165.09172	3.7
166.06262	7.9
167.06990	1.7
172.08746	0.8
173.05910	1.0
173.09665	1.1
175.07582	1.4
176.08324	2.4
177.05525	1.1
177.09108	6.6
178.09618	0.9
179.07115	1.2
179.10675	1.5
181.08597	52.1
182.08932	1.4
187.07651	1.0
188.08235	1.4
189.09116	2.6
191.10663	3.6
193.08606	2.5
195.10156	1.9
197.29340	0.7
201.09116	1.3
202.09917	1.8
203.10719	3.5
206.09445	1.1
207.10185	2.0
209.11581	0.8
216.11430	2.0
217.12247	2.9
221.11685	2.8
233.11760	1.1
247.13327	1.9
251.12918	0.9
339.16068	1.4
353.17477	1.5
354.18094	3.2
370.17786	9.7
371.18152	1.2
377.23016	16.6
379.68506	0.8
385.20068	27.0
386.20743	1.4
403.21155	10.2
404.21274	1.5
421.21994	8.7
424.32062	0.9
438.21323	6.7
439.21893	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	438.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73805	1.2
55.01875	3.3
55.05512	10.0
57.03437	6.1
57.07074	7.3
62.05778	1.8
62.06091	34.6
67.05512	10.8
69.07073	9.3
71.08645	1.3
71.46666	1.6
73.02912	1.5
79.05488	7.6
81.07050	11.1
83.04991	1.4
83.08627	11.4
84.62691	1.0
85.06543	1.1
86.09698	1.2
93.07050	8.9
95.08595	7.8
97.06534	11.8
97.10178	6.0
98.98479	10.3
104.10734	1.5
107.08588	7.0
109.10137	6.3
111.08078	2.5
121.10132	14.0
123.11703	4.2
129.05467	8.1
135.11661	6.4
142.02667	1.7
143.58011	1.1
149.06018	1.8
149.13289	2.9
155.01019	7.1
198.05321	2.6
205.19513	8.2
216.06354	3.6
223.20584	8.3
227.06792	1.4
266.24765	12.4
278.63882	3.5
297.24237	100.0
298.24600	6.9
304.60840	1.2
377.20935	3.9
420.24988	4.2
438.19125	4.0
438.25729	2.0
438.31403	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	438.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.0
57.03447	2.0
60.04523	3.3
61.02920	3.0
67.05502	2.9
69.03428	9.6
69.07067	4.8
69.91174	5.3
70.06593	4.1
71.04980	1.5
74.34121	1.2
80.05003	6.9
81.03418	2.7
81.07053	7.1
82.06561	3.2
83.01076	1.4
85.02903	16.9
93.07053	3.3
94.06562	4.0
95.08583	2.3
97.02893	5.7
102.34388	1.4
103.62830	1.4
107.08591	2.4
127.03891	3.7
145.05014	2.7
166.15923	1.8
172.16949	1.8
184.16954	11.7
202.18025	20.0
222.18538	8.0
228.63036	1.8
240.19676	10.4
258.20761	8.4
276.21695	100.0
276.89236	1.6
277.22006	3.9
300.21344	1.7
332.88297	1.7
386.79044	1.6
438.19086	6.6
438.26956	57.9
439.27216	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	438.2981
Annotation	Terpendole E
Peak:m/z	Relative Intensity
52.00002	1.0
52.28097	1.0
55.05517	10.6
56.05031	7.2
57.07086	7.2
58.06598	4.9
62.06078	1.2
63.75498	1.0
67.05509	5.2
68.05028	1.4
69.07067	10.9
70.00486	1.1
70.00803	2.4
70.06593	4.8
71.08648	2.5
74.06087	1.7
75.49339	0.9
77.50571	0.9
79.05499	2.1
81.07072	5.2
82.06585	1.2
83.08607	7.4
84.08146	33.1
85.10172	1.5
93.07039	1.2
95.08602	4.2
96.62928	1.1
97.10178	4.6
98.09695	4.4
98.98478	8.6
103.41989	1.1
109.10161	2.6
112.11237	1.4
119.08576	1.0
125.05978	1.3
142.02635	3.2
155.01047	9.0
157.19656	1.2
167.05106	1.2
198.05295	1.5
252.22945	1.2
266.28439	100.0
267.28741	4.4
284.29498	55.1
285.29782	3.0
364.26202	6.7
372.19394	1.1
420.28714	36.1
421.29199	1.9
438.19128	4.5
438.29776	60.5
439.30185	3.0
463.58450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2984
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
54.05943	1.9
55.05515	18.7
55.33206	2.0
57.03431	4.4
57.07072	14.9
62.06093	100.0
67.05514	5.9
69.07070	29.9
71.08629	5.6
75.04482	11.4
81.07069	9.2
83.08633	21.4
95.08614	9.8
97.10181	23.5
97.96735	2.5
98.98465	53.0
109.10167	4.8
111.11723	11.4
120.38427	2.1
123.11700	4.3
124.01637	5.3
125.13274	2.9
142.02670	7.3
155.01053	11.9
173.02106	35.7
253.97339	2.3
285.24503	3.5
297.27710	2.4
341.05893	2.2
372.76416	2.1
395.25604	29.3
420.28738	7.8
438.29785	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	7.6
61.11834	3.8
67.05489	10.2
69.07066	5.6
71.08590	3.6
79.05476	30.8
81.07056	100.0
83.08625	6.4
91.05473	4.8
93.07042	9.0
95.08605	24.1
96.84481	3.7
97.06483	6.7
97.10182	5.1
100.63716	4.2
100.98801	3.8
105.07032	15.7
107.08558	17.7
109.10136	19.0
113.50211	3.4
119.08556	7.8
121.10149	7.6
123.11724	7.3
125.05996	59.1
131.08559	6.5
133.10130	12.7
137.05989	13.3
145.10155	9.4
147.11746	5.7
149.13239	5.1
150.32434	3.7
151.07494	5.3
157.10085	5.7
161.13260	4.5
165.09106	7.0
171.11681	4.3
173.13232	5.2
175.14835	9.2
185.13220	6.8
199.14832	4.4
203.14354	13.0
219.13797	11.8
221.15364	52.2
229.19496	7.9
255.21094	13.5
283.20520	6.0
301.21609	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01944	1.8
57.07075	8.2
61.67883	2.1
67.05519	4.5
69.07069	5.2
69.56207	2.2
79.05500	33.0
81.07063	100.0
83.08607	2.6
91.05506	6.8
93.07090	6.0
95.08614	13.0
97.06530	7.9
105.07059	8.3
107.04944	3.4
107.08603	6.5
109.06527	2.3
109.10167	10.5
117.07058	2.7
119.08578	11.5
121.10172	5.2
123.89452	2.1
125.06001	67.3
131.08604	4.8
133.10141	6.8
135.11716	2.7
137.06006	8.9
143.08676	2.6
145.10179	6.4
147.08049	3.9
147.11710	3.7
156.99869	2.0
157.10112	2.4
159.11728	3.9
161.09647	3.0
171.11615	2.0
173.13231	3.3
175.14838	9.0
185.13312	4.6
191.10666	3.7
203.14299	23.1
205.12334	3.1
219.13824	10.8
221.15392	50.5
222.15878	3.2
255.21068	8.3
283.20648	5.2
301.21664	7.3
378.11099	2.1
394.10162	3.6
395.11240	2.6
408.11908	4.2
409.12906	5.1
410.13504	3.3
423.10355	2.7
423.15179	3.2
437.12057	5.4
438.12653	42.0
439.13385	29.4
456.14185	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	438.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
57.07075	88.0
58.07426	1.4
69.07067	8.3
69.70437	2.9
69.70827	2.6
71.08630	74.4
73.06547	2.2
83.08618	3.7
85.09689	2.8
85.10180	42.3
89.06031	100.0
91.29276	1.3
97.10200	3.1
99.11727	8.9
107.07051	2.5
111.11748	3.3
113.13274	5.6
117.09156	2.1
125.13233	1.6
127.14829	3.2
130.08650	2.2
133.08603	75.5
151.09647	6.4
165.73369	1.4
177.11211	18.2
195.12257	5.1
200.62773	1.4
212.91479	1.3
221.13792	3.0
239.14891	71.7
271.26315	4.0
315.28909	3.2
322.01718	1.3
377.32785	1.7
421.35266	74.4
422.35400	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	439.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67789	0.5
66.77946	0.5
69.19373	2.9
75.46967	0.5
96.92231	100.0
112.89625	1.7
127.12090	0.5
174.30133	0.5
174.94046	0.6
180.97495	2.4
185.04199	6.4
192.97566	0.5
192.99843	0.8
203.05267	13.1
208.97269	1.7
210.96945	0.7
212.34402	0.6
216.95195	1.6
222.98592	0.7
234.96193	0.9
240.99663	0.8
276.97424	1.2
277.08923	7.7
302.40570	0.6
355.70554	0.5
365.10553	59.3
366.10864	2.2
381.07953	20.5
439.04251	1.1
439.14230	27.2
440.14120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0384
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67789	0.5
66.77946	0.5
69.19373	2.9
75.46967	0.5
96.92231	100.0
112.89625	1.7
127.12090	0.5
174.30133	0.5
174.94046	0.6
180.97495	2.4
185.04199	6.4
192.97566	0.5
192.99843	0.8
203.05267	13.1
208.97269	1.7
210.96945	0.7
212.34402	0.6
216.95195	1.6
222.98592	0.7
234.96193	0.9
240.99663	0.8
276.97424	1.2
277.08923	7.7
302.40570	0.6
355.70554	0.5
365.10553	59.3
366.10864	2.2
381.07953	20.5
439.04251	1.1
439.14230	27.2
440.14120	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	17.2
60.29816	1.1
61.52199	1.1
69.14725	8.3
84.96040	9.5
97.96829	1.7
98.97587	47.8
101.85088	1.2
110.97572	14.9
112.99155	4.8
116.98632	12.5
126.97118	2.0
128.98613	11.5
129.90065	1.4
131.00186	3.3
140.00175	1.6
140.98608	5.4
141.02238	2.0
141.24286	1.3
142.41600	1.5
143.00194	5.3
144.98097	3.0
146.99699	3.8
152.98598	4.2
158.99657	9.7
159.03311	1.6
161.01279	4.8
162.99149	1.8
170.99684	5.8
173.01251	2.0
177.00775	5.5
178.80119	1.2
189.00638	1.6
195.55144	1.3
201.00797	2.9
209.08537	4.0
219.01762	28.2
237.02812	33.0
242.03531	1.3
251.09682	5.2
260.04230	1.3
269.10510	1.3
293.10651	2.3
353.12720	100.0
354.13202	5.7
371.13791	1.4
377.22961	25.0
377.27438	2.0
395.13745	29.3
396.14294	3.1
421.22012	2.8
439.13840	18.5
439.23068	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
67.05507	1.1
69.07069	1.4
69.35737	3.7
81.07069	2.5
84.08154	0.9
93.07071	2.7
95.04956	1.3
95.08630	1.4
97.10226	1.0
104.99294	0.8
106.42754	0.8
109.10146	0.9
119.08614	0.8
121.06517	6.4
122.06852	0.9
123.11707	1.5
127.00087	1.9
145.10156	1.2
147.04414	1.5
148.04747	0.9
157.92807	0.8
164.10646	1.0
167.03177	4.3
185.04187	4.1
190.08386	1.1
191.10414	7.2
221.05232	1.1
227.05278	12.2
271.04245	52.7
289.05353	5.2
353.15402	2.9
364.28506	1.3
395.16748	17.4
396.17245	1.1
438.30380	4.8
439.15775	100.0
439.30969	3.9
440.16037	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44976	0.9
56.96547	1.0
69.07079	0.9
70.19957	2.1
70.20323	1.5
81.07085	1.3
95.97507	0.9
109.10149	1.2
123.11748	1.1
127.00060	1.4
135.64763	0.9
147.04433	1.9
149.14531	1.0
151.44098	1.1
167.03189	2.5
185.04204	2.0
191.10460	11.5
227.05205	7.2
253.03094	1.1
267.12967	1.1
271.04248	44.2
289.05240	7.7
353.15372	2.6
395.16779	18.7
439.15729	100.0
440.16229	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	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
65.56974	0.3
70.94687	0.4
73.82308	0.3
73.89761	0.2
83.01106	0.7
83.87083	0.3
84.01873	0.6
95.01085	2.4
96.01862	0.9
101.81669	0.3
104.99273	0.4
112.01335	1.3
113.02138	3.2
116.73915	0.3
124.93960	0.3
126.02898	0.5
141.01544	0.3
141.05232	0.4
149.88239	0.3
157.04727	1.1
167.03012	0.4
185.04225	4.1
201.03728	1.4
202.04520	0.5
202.06075	3.5
203.05176	0.5
203.06815	0.4
243.08510	0.4
259.07910	0.8
277.10599	0.7
317.98920	0.3
439.15762	100.0
440.16003	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	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
62.12540	0.3
67.05491	1.9
69.03429	0.6
70.06594	1.4
71.04992	0.5
72.08157	1.8
79.05505	0.7
81.07051	1.6
86.09698	0.6
91.05491	1.0
93.07056	1.0
95.08627	2.1
97.02909	0.7
97.06542	0.4
105.07036	0.4
107.08591	1.1
109.02939	0.4
109.10130	0.5
112.11217	0.6
119.04962	1.7
119.08613	0.6
120.05266	0.6
121.10147	0.9
131.08574	0.4
135.80690	0.4
136.07631	0.6
147.04405	7.4
148.04736	3.3
149.09637	0.7
173.11722	0.5
201.05414	1.0
204.10225	1.8
205.10522	1.0
213.12347	1.1
227.13776	0.4
256.05945	0.7
256.09747	0.9
270.07599	1.1
287.05405	0.4
292.20111	0.9
293.20346	0.8
303.34183	0.3
307.11523	2.3
323.09128	1.6
348.16852	0.4
422.16019	1.3
422.21265	0.8
439.15744	100.0
439.24158	3.6
440.16190	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25161	0.5
51.02369	0.6
61.02897	0.7
67.05508	0.7
69.03426	1.8
69.05494	0.5
69.07063	0.6
70.62347	0.7
71.04989	2.3
72.08151	4.4
79.05500	0.9
81.03416	2.0
81.07062	1.4
84.08125	0.9
85.02906	2.8
85.06530	1.4
86.59831	0.6
87.00827	1.3
89.03928	4.9
89.08970	0.6
91.05476	7.8
93.07050	1.3
95.04983	1.1
95.08562	1.1
97.02891	1.4
97.06538	0.8
99.04453	0.5
100.07616	1.2
105.07031	2.0
107.08580	1.7
109.02874	1.1
109.06502	2.6
109.10130	1.4
111.08089	0.5
112.11214	0.6
117.03378	15.6
118.03656	0.8
119.04938	20.3
119.08572	1.6
120.05290	1.1
121.10152	2.0
123.08083	1.8
127.03941	3.0
129.01773	0.7
130.12279	5.2
131.08539	1.5
133.10126	2.6
134.03622	1.1
135.04372	0.9
135.08044	1.8
137.09604	0.5
137.13235	0.9
138.13609	1.0
143.08572	0.7
145.02844	41.3
145.10100	1.2
146.03197	0.7
147.04402	100.0
147.11702	1.7
147.14905	2.4
148.04735	5.2
149.05984	5.3
155.08701	0.5
155.14297	2.5
156.09232	0.6
156.14635	2.1
157.10115	2.4
159.08072	0.6
169.10143	0.9
173.13240	2.9
175.11305	0.9
177.05466	76.8
178.05785	1.9
184.07324	0.9
191.14323	5.2
197.13266	0.9
201.14369	0.6
204.10210	1.1
205.08678	0.7
205.10574	1.1
209.15283	0.6
215.14294	2.3
218.11710	2.3
218.17722	0.5
239.14429	0.8
246.11252	20.2
247.11523	0.6
263.13959	5.7
273.05386	0.8
276.12302	16.0
276.15347	1.0
281.15479	1.1
292.20142	0.8
293.14966	4.8
293.18555	16.6
294.19165	0.8
395.16565	0.8
439.17050	1.0
439.23206	16.3
440.23871	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.8
55.05493	1.1
57.03440	0.5
65.03925	0.9
67.05478	1.7
68.68586	0.5
69.03414	2.3
69.07067	1.0
69.57855	1.6
71.04990	6.2
72.08157	4.0
73.02918	0.8
79.05463	1.4
81.03398	2.1
81.07040	1.9
83.04963	1.2
83.08592	0.7
84.08146	1.2
84.81293	0.5
85.02905	4.5
85.06521	2.0
87.00816	1.7
89.03883	4.2
91.05481	9.6
93.07024	2.3
95.04952	1.6
95.08606	2.0
97.02859	1.9
97.06516	1.0
99.04416	0.8
100.07595	1.9
100.11237	1.0
103.05457	0.5
104.99253	0.9
105.01833	0.6
105.07015	3.7
107.08584	4.5
109.02883	1.5
109.06511	2.0
109.10170	2.8
111.04438	1.6
112.11214	0.7
115.03880	0.5
117.03371	14.5
117.06992	2.1
119.04940	16.8
119.08572	4.6
120.05254	1.0
121.06486	0.8
121.10153	5.6
123.08068	6.7
125.09638	0.7
127.03896	2.3
129.01854	0.8
129.06992	1.5
130.12294	5.1
131.08577	4.1
133.06462	0.7
133.10130	5.5
134.03659	0.9
135.04430	1.2
135.08026	1.4
137.05962	1.0
137.09584	1.9
137.13275	1.2
138.13594	0.9
141.06960	1.4
141.13168	0.5
142.07755	1.5
143.08510	3.4
145.02844	37.1
145.10129	5.0
146.03194	1.2
147.04404	100.0
147.11691	4.3
147.14896	2.0
148.04739	6.0
149.05942	4.4
149.13203	0.6
153.05466	1.2
153.06754	0.5
155.08559	1.9
155.14314	2.4
156.09309	2.1
156.14630	2.6
157.10130	9.0
158.10921	1.5
159.02905	1.0
159.08063	1.2
159.11688	2.7
161.13141	0.6
165.07024	1.4
167.08566	1.7
168.09383	0.5
169.10156	1.8
170.46548	0.6
171.08014	0.5
171.11723	2.6
173.09647	0.5
173.13237	5.9
173.15392	1.0
175.11188	2.9
177.05467	74.4
178.05788	2.3
179.08510	0.7
182.10922	1.7
183.08105	0.7
183.11723	0.6
184.07314	0.9
185.13269	0.9
186.05470	0.7
187.11391	0.6
187.14821	1.5
189.12817	1.6
191.14307	9.3
193.10199	0.8
195.11722	1.5
197.13260	3.3
199.11169	1.2
203.05289	0.6
204.10242	2.7
205.10529	1.7
206.10954	1.5
209.13280	0.8
211.11263	0.7
211.14732	0.9
213.12753	2.1
215.14323	7.1
218.11761	2.5
219.12238	0.6
221.13257	2.8
223.11238	1.5
227.14218	0.7
233.15419	1.5
238.13649	1.1
239.14296	4.7
241.12151	0.8
246.11250	21.1
247.11626	1.2
257.15411	1.6
261.18219	1.1
263.13971	5.7
273.05496	0.9
276.12296	14.9
281.15411	5.5
293.15063	4.9
293.18661	15.6
299.16495	1.7
305.08167	0.8
325.10779	0.6
385.16428	0.9
403.17621	1.6
439.16299	3.3
439.23199	34.9
440.23566	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	439.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79385	0.2
53.03922	0.7
55.01851	0.5
55.05506	2.0
57.07064	0.3
65.03910	0.7
67.05495	2.5
68.99780	0.4
69.03430	5.4
69.07066	2.0
70.74391	0.4
71.04964	0.5
72.08136	1.0
77.03893	0.5
79.05489	4.5
81.03407	1.3
81.06625	0.4
81.07053	5.0
83.04978	2.4
83.08606	0.6
85.02899	2.6
85.06543	0.4
87.00816	1.4
91.05473	6.4
93.07046	3.2
95.04965	3.2
95.08622	1.5
97.02873	0.9
103.05427	0.4
105.01868	0.7
105.07025	7.9
107.04946	3.1
107.08591	17.3
109.02856	1.5
109.06511	2.4
109.10155	6.4
111.04438	0.3
115.05452	1.2
117.07006	1.8
118.07776	0.4
119.04937	2.4
119.06067	0.5
119.08593	3.7
121.06513	1.7
121.10143	9.7
122.07281	5.4
123.08069	1.1
123.11676	0.3
127.03907	3.6
129.06961	0.5
130.12280	1.9
131.08563	2.1
133.10124	100.0
134.10463	3.1
134.32704	0.3
135.04451	0.3
135.08043	5.7
135.11662	1.1
137.06090	0.6
137.09612	50.4
138.09935	1.1
141.06842	0.2
142.49451	0.3
143.08545	1.0
145.04951	0.7
145.10120	1.0
147.04401	8.9
147.08040	0.5
147.11664	2.0
147.14946	0.8
148.04738	0.7
149.09631	3.6
149.13255	7.6
150.13625	0.5
151.07559	0.2
151.11168	0.5
157.10170	0.5
158.10884	1.2
159.04405	0.3
161.05969	0.3
161.09615	0.5
161.13219	0.3
163.14790	1.8
169.05020	0.3
171.11729	0.5
173.13249	6.0
175.11224	0.4
179.07190	0.3
185.13345	0.3
187.14885	0.4
189.09232	0.4
189.12747	0.6
191.14304	40.6
192.14580	1.8
201.12733	0.4
203.14340	0.4
204.10361	0.4
207.13760	0.4
213.03973	0.9
218.11682	0.3
231.04938	0.7
233.15230	0.3
245.15416	0.6
257.15350	0.4
273.15015	0.7
280.33932	0.3
285.09415	3.0
286.09637	0.3
293.18561	6.0
299.16516	0.5
335.18539	0.8
346.40460	0.3
403.17712	0.4
421.18735	0.5
439.23190	13.9
440.23398	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01842	0.5
55.05507	2.1
57.07052	0.7
59.25092	0.5
60.58661	0.5
67.05499	3.5
69.03433	6.3
69.07059	1.9
69.79327	1.9
71.04967	0.6
72.08146	0.6
74.12705	0.5
78.43366	0.6
79.05492	5.3
81.03401	1.9
81.07060	6.0
83.04967	2.6
85.02902	1.8
86.09706	0.8
87.00816	1.6
88.07188	0.7
91.05470	5.8
93.07058	3.6
95.04951	3.7
95.08604	2.4
97.02886	1.7
98.23384	0.9
105.01875	1.7
105.07019	8.1
107.04949	2.1
107.08591	16.1
109.02875	1.8
109.06504	2.6
109.10150	7.2
115.05467	1.3
117.07018	2.0
119.04956	2.0
119.08572	4.4
121.06486	2.2
121.10152	10.7
122.07286	5.3
123.08033	1.1
127.03934	3.6
130.12320	0.7
131.08569	1.8
133.10127	100.0
134.10435	2.8
134.37160	0.6
135.08047	5.9
135.11723	1.0
137.09607	50.7
137.13220	1.5
138.09953	0.9
138.13562	0.6
143.08580	0.7
145.10193	1.3
147.04402	9.6
147.08029	0.6
147.11684	1.8
148.04752	1.6
149.09612	4.8
149.13257	8.5
151.11266	0.6
155.14328	0.8
156.14682	0.9
158.10947	1.2
163.14803	1.5
173.13240	7.3
173.15477	0.9
174.15582	0.8
177.05536	1.0
184.07356	2.9
191.14310	42.6
192.14688	1.4
204.10199	0.8
205.10506	1.1
207.13861	0.8
233.15353	0.7
293.18451	3.3
359.65610	0.6
403.18542	0.7
439.24030	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	439.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58474	1.7
51.71778	1.9
52.11085	1.7
56.96568	3.0
60.29240	1.6
67.05521	2.3
69.24474	8.9
96.01848	2.5
98.97601	5.9
104.99269	1.7
127.48716	1.7
132.25063	1.8
151.07599	6.3
152.08025	3.1
169.04834	2.0
175.61597	1.8
181.08557	2.4
182.08974	3.2
192.88243	2.1
205.08484	2.3
237.02829	2.7
274.97543	2.3
281.13763	3.0
295.15189	15.3
304.29395	1.9
353.12778	13.3
377.23001	83.5
378.23511	6.7
379.20627	2.0
386.20422	3.1
421.21912	42.5
421.27322	2.1
422.22684	2.6
439.22305	100.0
440.22037	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	439.2229
Annotation	Obscurinervine
Peak:m/z	Relative Intensity
55.05507	0.4
64.22049	0.3
65.03929	0.9
67.87415	0.3
69.37329	1.1
70.06585	0.4
70.75694	0.3
72.08154	17.0
76.07628	0.6
79.69191	0.3
81.07050	0.3
84.08135	1.9
91.05481	9.1
91.06049	0.5
98.06036	0.4
98.09698	0.3
98.23512	0.3
98.87253	0.3
100.11253	0.7
104.10728	0.3
111.04435	0.3
112.11232	1.3
117.03400	0.3
119.04943	23.3
120.05289	0.6
130.12279	23.7
131.12631	0.5
133.10143	1.1
137.09607	0.8
145.02837	1.3
147.04404	100.0
147.14919	11.3
147.16078	0.6
148.04764	3.5
159.63565	0.3
166.43935	0.3
168.13820	0.5
173.12851	1.3
177.05487	1.8
178.15366	0.3
182.15451	0.5
191.14223	0.3
196.13290	0.8
204.10225	1.0
205.08633	0.5
205.10518	0.7
210.14943	0.7
218.11781	6.4
224.68127	0.3
231.88211	0.3
232.57953	0.3
265.78125	0.3
275.17569	0.7
276.15894	0.9
293.18579	66.2
294.18909	3.4
305.08051	0.3
308.31207	0.3
312.26453	0.4
421.21133	1.2
422.30212	0.5
439.13644	0.5
439.22659	11.1
439.32800	0.9
440.22791	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01617	0.6
66.35710	0.6
70.22990	0.6
70.57213	1.2
82.42133	0.7
83.01068	0.8
96.01865	8.4
97.02658	4.0
102.38505	0.6
113.02139	0.8
137.05722	1.1
139.70065	0.6
156.03966	4.8
169.04729	3.3
205.08350	3.4
223.13110	1.5
226.58484	0.7
240.13290	2.1
249.93602	0.7
255.12062	0.8
269.13599	5.8
279.15640	1.2
295.15128	0.7
299.14749	1.7
305.10840	0.7
313.16348	4.6
337.16238	18.3
338.16595	1.0
351.17816	1.8
363.17688	1.8
364.18527	1.1
393.18658	2.0
421.21744	1.2
439.27109	100.0
440.27496	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	439.2306
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05502	0.4
56.32328	0.3
65.40100	0.3
69.03426	0.3
69.07043	0.5
69.28262	0.7
69.28680	1.3
72.08175	0.5
73.15945	0.4
73.74663	0.3
75.26445	0.3
79.05484	0.4
81.03433	0.3
81.07054	0.6
83.08600	0.4
84.04512	0.4
85.02928	0.6
85.06561	0.3
91.05485	0.8
93.07034	0.4
95.04945	0.5
98.23436	0.7
100.11256	0.9
105.07053	0.7
107.08618	0.4
109.06539	1.7
109.10201	0.5
118.59940	0.4
119.04974	0.5
119.08601	0.5
127.03922	0.8
131.08592	0.7
133.10170	0.8
135.08057	0.9
147.04443	2.3
148.04768	1.1
148.05975	0.6
173.13385	0.6
182.15419	0.7
191.14281	1.8
201.90372	0.4
210.14900	0.6
348.01288	0.4
367.17212	1.1
439.23080	100.0
440.23532	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	439.231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01879	0.6
55.05506	1.2
65.03954	0.6
67.05515	1.0
69.03432	2.4
69.03754	0.4
69.07067	0.8
69.90263	1.0
69.90591	0.9
72.08150	2.0
77.94325	0.5
79.05498	1.4
81.03418	1.3
81.07038	2.2
83.05001	0.8
83.08598	0.4
84.08120	0.6
85.02891	1.9
87.00860	0.5
89.03923	0.6
91.05485	3.5
93.07043	1.2
95.04972	1.4
95.08619	0.6
100.07597	0.6
105.01849	0.6
105.07027	2.3
107.04954	1.1
107.08587	6.3
109.02839	0.7
109.06525	1.7
109.10194	2.5
115.05466	0.9
117.03378	1.7
119.04931	5.8
119.08583	1.2
121.06540	0.9
121.10121	4.3
122.07287	1.8
127.03939	1.7
130.12277	3.4
131.08549	1.0
133.10121	31.4
134.10469	0.9
135.08067	2.0
135.11722	0.8
137.09610	16.2
137.10663	0.9
145.02837	4.5
147.04398	26.5
147.11652	1.0
147.14957	0.6
148.04785	2.2
149.05980	1.0
149.09608	1.4
149.13245	3.1
158.10959	0.6
161.42520	0.4
163.14819	0.7
168.47420	0.5
173.13284	2.6
177.05470	11.4
177.06981	0.9
178.05838	0.6
184.07332	0.9
191.14291	12.2
191.15929	0.7
203.05318	1.3
205.10609	0.6
213.03859	0.7
218.11810	1.1
246.11249	3.2
254.10371	0.5
263.13947	0.8
276.12347	2.4
285.09439	26.0
286.09930	0.8
293.15335	0.6
293.18558	8.7
293.21579	0.7
439.23041	100.0
440.23389	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	439.2307
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05494	0.7
57.07075	0.5
65.96305	0.4
66.69837	0.4
67.05485	0.7
68.30798	0.3
69.03399	0.6
69.07077	0.6
69.23308	1.0
69.23711	1.0
70.79032	0.3
72.08176	0.4
78.09106	0.4
79.05500	0.4
81.07064	0.8
81.21433	0.4
84.04514	1.9
85.02916	0.7
91.05493	0.9
91.69704	0.3
93.03176	0.4
93.07047	0.6
95.08604	0.5
97.02881	0.6
97.06583	0.3
102.05581	0.7
105.07024	0.8
107.08611	0.6
119.04963	0.6
119.08617	0.5
123.11710	0.5
130.05019	0.9
131.08600	0.6
133.10139	0.5
145.04951	0.3
147.04430	2.5
148.04788	1.1
148.06024	0.7
161.13376	0.7
173.09659	0.5
187.11148	0.4
191.14388	1.6
204.10204	0.6
231.85068	0.5
277.14258	0.4
293.18271	0.4
305.93869	0.4
351.17874	1.2
353.15781	1.4
421.22092	0.5
439.23090	100.0
440.23462	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	439.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13821	4.0
53.36541	3.8
55.01874	39.6
55.69444	3.5
65.00639	32.2
69.66242	9.0
73.02915	47.2
81.07074	3.6
105.07073	6.2
119.01643	53.5
137.02678	100.0
246.04428	4.0
249.66666	3.5
285.22107	5.2
439.19965	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.267
Annotation	Briarellin Q
Peak:m/z	Relative Intensity
67.05513	0.9
69.67340	1.8
76.15251	0.6
79.05495	0.7
82.81884	0.6
83.01089	0.9
91.05470	0.7
93.07005	0.7
96.01871	8.7
97.02670	2.3
98.97567	0.8
104.99307	1.3
111.08038	0.6
113.02147	1.4
117.89077	0.6
137.05728	1.5
141.64658	0.6
146.36926	0.6
156.03917	4.6
169.04727	4.1
205.08401	4.0
223.13164	0.9
239.12759	0.8
240.13345	2.5
269.13608	8.8
274.97620	0.8
279.15692	1.9
283.15146	0.8
283.78540	0.7
299.14548	3.9
313.16168	8.5
335.18195	1.1
337.16174	12.2
338.16486	0.9
354.44794	0.6
363.17722	1.4
364.18488	3.3
369.18582	0.8
393.18723	3.6
409.25806	0.9
421.21823	0.9
439.27155	100.0
440.21689	1.1
440.27505	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	440.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53679	0.6
55.01855	1.2
60.02472	0.6
63.16135	0.7
64.72161	0.5
67.05466	1.2
68.99781	1.6
69.03436	1.0
70.06585	1.4
74.70283	0.6
80.04999	0.7
91.05486	1.4
95.09659	0.7
96.04475	2.8
98.01225	0.6
105.03419	1.3
108.04479	3.5
110.07178	0.7
114.29630	0.7
115.05442	0.7
117.07011	1.5
118.06533	0.9
119.04926	2.8
121.91261	0.6
123.04430	28.3
128.06178	0.8
129.07010	1.1
131.04913	1.1
137.05968	0.7
141.06981	1.2
143.04926	0.8
144.08110	1.1
145.06432	1.9
146.05988	2.1
147.04399	8.7
157.06487	1.6
158.05954	3.2
159.04399	2.5
160.07605	1.7
161.05949	1.7
163.03920	2.2
165.05470	1.5
168.08092	0.8
171.04414	0.7
172.07564	3.0
173.05943	3.9
174.05499	3.0
174.09116	1.0
175.03911	7.4
185.06010	2.6
186.05476	2.4
186.09128	0.9
188.07042	1.1
189.05499	4.4
192.14650	0.7
193.04933	1.2
196.07574	1.6
197.06029	2.1
198.09204	1.1
199.03951	1.7
200.05157	1.2
200.07048	7.2
201.05467	28.6
202.05928	1.7
202.08644	1.5
203.07063	1.3
212.07155	0.7
213.05476	12.3
214.08611	3.2
215.07056	2.8
216.06502	3.9
216.10060	0.8
217.04987	1.7
224.07063	2.7
225.05376	3.3
226.08621	2.0
227.07045	2.5
228.06541	12.1
229.04958	1.5
229.07222	2.2
230.08105	2.0
240.06448	0.9
241.04935	4.8
242.05713	3.4
242.08124	15.0
243.08904	1.0
244.09666	5.7
245.04462	1.2
252.06572	2.5
253.04810	0.9
254.08083	3.3
255.06537	1.3
258.07556	2.9
259.06006	2.4
270.07602	100.0
271.05798	0.7
271.08240	6.2
272.09155	21.2
273.09549	1.4
282.07660	3.1
288.08627	2.9
300.08560	3.6
325.01157	2.5
365.10233	1.2
380.11234	2.9
394.12732	4.6
399.04739	1.8
404.11234	1.4
422.12329	64.0
423.12604	4.5
440.13373	80.7
441.05777	1.5
441.13501	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	440.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99787	1.2
69.60040	2.6
70.06583	1.9
78.17291	0.9
91.05466	1.9
93.04013	0.9
96.04487	2.9
104.79825	0.8
108.04488	2.2
117.07026	1.5
119.04952	2.6
123.04433	25.6
123.05275	1.7
129.07007	1.3
132.08105	0.8
135.04448	1.0
144.08125	1.1
145.02899	1.3
145.06482	2.5
146.06007	2.4
147.04407	7.4
156.07968	1.1
158.06010	2.9
159.04454	2.8
160.07529	1.1
161.05934	1.1
165.05489	1.0
172.07628	3.5
173.05974	4.4
174.05544	2.0
175.03931	7.2
177.05498	1.4
185.06007	2.2
186.05531	1.8
186.59177	0.8
188.07082	2.0
189.05499	3.2
193.04944	1.9
194.38634	1.0
196.07486	1.6
197.06076	1.2
199.03976	1.5
199.13347	2.8
200.07056	5.2
201.05461	27.7
201.07294	1.7
202.05885	1.5
202.08565	1.0
213.05469	10.2
213.12384	0.9
214.06622	1.2
214.08638	3.0
215.06996	2.9
216.06561	3.9
217.04956	1.6
224.07019	1.3
225.05493	2.9
226.08742	2.0
227.07007	3.4
228.06554	9.4
229.05112	1.1
229.07330	2.3
230.08130	0.8
240.06454	1.0
241.04950	3.3
242.05699	2.6
242.08072	15.9
244.09653	5.1
245.04404	0.9
252.06508	1.9
254.08116	2.9
255.06580	1.7
258.07648	3.1
259.05981	1.6
270.07608	100.0
271.08176	6.6
272.09186	18.5
273.09589	1.0
282.07706	3.5
288.08591	1.9
300.08585	1.8
327.88391	0.9
353.10327	1.7
365.10355	1.6
380.11465	2.6
394.12842	4.6
404.11688	1.5
422.12357	53.8
423.12521	3.8
440.13388	64.1
441.13278	3.2
441.18176	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.5
55.05509	5.0
57.03439	11.9
61.02933	1.8
67.05528	0.9
69.03424	2.6
69.07063	2.6
69.51638	2.9
69.52041	1.3
71.01348	1.3
71.04993	77.0
73.02909	3.1
75.04466	3.7
79.05506	1.0
81.03411	1.8
81.07030	1.0
83.04982	8.5
83.08632	0.9
85.02908	100.0
87.04462	1.5
93.07032	2.4
95.04949	1.2
95.08604	2.1
97.02896	3.9
97.10175	10.8
98.23412	1.9
99.04458	1.5
103.03964	1.5
105.07026	0.9
107.08604	1.5
111.04435	4.9
115.03886	0.8
115.11211	7.0
119.04961	1.1
121.06451	0.8
121.10170	1.6
127.03893	3.4
129.05479	44.8
135.11621	0.8
139.11223	0.8
143.06960	1.1
145.04980	1.9
146.08156	0.9
147.04530	4.6
147.06523	23.3
148.04761	2.9
149.04926	1.6
163.06033	1.6
164.09184	7.8
165.07668	1.7
179.14230	0.9
181.12216	1.5
182.98608	0.8
205.10542	1.4
223.13368	1.2
225.07550	1.0
225.14899	2.0
241.14531	0.9
255.08730	1.9
261.16922	1.7
273.09775	1.7
292.63275	0.9
293.20261	1.1
309.11710	1.4
340.21741	0.8
355.17239	2.3
397.18353	9.2
423.16125	3.8
440.23898	12.0
441.17261	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.6
56.05033	7.6
62.28402	0.6
64.65409	0.6
67.05508	12.9
69.07070	3.6
70.88475	0.6
71.13253	0.7
79.05491	9.9
81.07056	12.5
83.04999	1.3
83.08633	3.8
84.04504	100.0
85.02910	2.6
85.04832	1.2
85.06562	1.1
91.05479	15.1
93.07063	8.7
95.04975	1.3
95.08607	7.2
97.06532	1.8
97.10170	2.5
98.21227	0.7
99.08116	1.3
100.39392	0.7
102.05544	55.4
105.07023	6.8
107.04959	1.2
107.08589	4.8
109.06519	1.1
109.10163	3.0
111.08085	1.2
117.06995	5.2
119.08572	8.2
121.06501	2.4
121.10139	3.6
123.08062	1.7
125.09657	1.1
130.05006	47.3
131.08559	7.8
131.80920	0.8
133.10141	9.1
135.08096	3.7
135.11649	4.2
137.09613	1.6
139.07573	0.9
141.06938	0.8
143.08530	1.4
145.10132	7.7
147.11717	4.4
148.06050	34.4
149.09612	10.0
149.13240	1.3
157.10129	2.5
159.11670	2.9
161.09669	0.8
161.13249	1.9
163.11168	8.5
165.12694	0.7
169.53653	0.8
171.11714	3.1
173.13318	3.0
177.12740	3.6
183.11713	1.0
197.13251	1.1
204.91592	0.8
239.17993	3.0
257.18982	5.7
257.57425	0.7
274.21753	1.5
274.97403	1.2
275.20062	50.4
276.20505	2.6
293.21112	7.5
340.22809	0.9
348.25525	1.1
358.23657	5.2
376.24857	13.4
377.25085	1.1
394.25903	3.9
404.24380	3.3
422.25458	9.5
423.25974	0.9
440.26819	1.5
440.31921	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37371	1.7
53.90793	1.7
55.05518	22.1
56.68323	1.7
57.03429	7.3
57.07075	11.1
57.90945	2.0
61.65035	1.6
67.05494	2.8
69.07061	24.9
69.12423	10.1
71.08646	10.0
71.38934	1.8
71.92534	1.7
73.96637	1.9
79.05489	2.3
81.07054	7.4
83.08621	25.1
85.10197	3.4
89.06004	2.1
93.06985	2.4
95.08571	3.2
97.06501	4.0
97.10169	16.7
98.23447	3.9
103.40339	2.0
105.07007	2.6
109.10159	2.6
111.11735	3.7
113.00018	42.2
113.46368	2.2
121.10146	4.7
139.08389	2.3
143.08545	2.9
145.90637	1.7
149.13240	2.5
152.69789	1.7
169.02626	40.0
169.10078	2.0
171.11710	2.5
173.13235	2.9
174.13545	2.1
187.03662	4.4
208.20956	1.9
237.22188	4.4
245.04608	3.9
259.04031	2.8
260.04425	2.9
280.83820	2.2
298.77405	2.0
310.13431	4.3
311.25784	100.0
312.26031	6.2
313.14658	2.0
394.17590	3.0
397.88208	2.0
399.17953	3.7
405.23923	5.6
417.19238	13.4
442.40967	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	440.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.4
57.03447	4.0
57.07079	18.2
59.05004	0.7
62.05779	1.2
62.06094	24.6
67.05512	3.6
69.07085	3.4
71.08635	13.2
71.46455	0.7
81.07068	6.4
83.08619	2.3
85.10182	6.8
89.06035	1.3
89.47110	0.6
95.08611	6.1
97.10164	1.5
98.98476	6.5
103.07565	1.0
109.10158	2.5
123.11719	1.4
124.01574	1.1
142.02684	0.8
155.01044	5.8
173.02072	0.7
198.05322	1.4
205.30824	0.6
210.82561	0.6
216.06194	3.0
225.22168	1.7
243.23155	0.7
268.26382	10.9
273.92996	0.7
299.25818	100.0
300.26141	5.3
379.22440	7.3
379.59802	0.6
422.26663	3.0
440.27762	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.0
57.03443	13.6
57.07074	18.4
59.49463	2.0
66.97032	1.9
67.05508	8.1
69.07067	33.8
69.33619	8.9
71.08626	11.7
77.15681	2.0
79.05496	4.8
81.07058	10.2
83.08620	27.1
85.10200	7.1
89.06040	3.7
89.89193	2.1
93.07043	4.0
95.08606	9.6
97.10175	16.5
105.07008	2.6
107.04981	2.0
107.08602	4.8
109.10160	4.4
111.11768	6.4
113.00014	45.7
119.08564	2.7
121.10135	4.8
133.08632	2.8
133.10123	4.8
134.10497	2.7
135.11708	4.8
135.98250	2.1
137.09648	3.6
143.08586	3.0
165.09129	30.7
169.02626	45.4
169.10104	4.9
173.13356	3.9
174.13596	4.8
187.03654	4.9
194.54784	2.3
203.10686	3.1
205.12357	2.8
219.03174	4.1
227.05205	2.9
228.05649	3.0
231.06747	2.8
237.22098	3.5
245.02451	2.8
245.04799	8.3
259.07336	6.7
262.06027	2.4
262.74393	2.4
273.05502	2.4
296.09119	3.0
310.07181	3.3
311.25781	100.0
312.26105	5.4
315.16196	4.2
326.97934	2.4
394.17581	3.2
399.18042	5.4
405.23862	4.4
416.18930	3.8
417.19043	27.3
418.19183	2.9
440.20718	6.7
440.33759	5.3
441.28171	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	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
56.15076	0.4
57.03181	0.6
57.03438	8.0
57.07077	20.0
58.06593	1.6
61.35239	0.5
62.06060	0.5
67.05505	5.1
69.07066	7.8
69.90123	1.3
71.08636	14.1
79.05489	0.5
81.07059	9.6
83.08622	5.0
83.29335	0.3
84.22147	0.4
85.06529	0.7
85.10188	7.5
89.06026	1.0
91.02710	0.4
91.05400	0.4
93.06998	0.6
95.04970	0.5
95.08602	9.7
95.78662	0.4
97.10181	2.8
98.98463	0.6
99.08096	0.6
103.07596	0.9
109.10159	5.1
111.11726	1.5
123.11688	3.7
125.13266	0.7
137.13246	1.8
137.80688	0.4
144.71832	0.4
149.13277	0.4
151.14804	0.5
163.14868	0.5
179.93570	0.4
243.23230	1.7
268.26422	2.5
274.97507	0.5
299.25806	100.0
300.26184	5.0
303.41861	0.5
342.40030	0.4
349.27182	0.5
423.30994	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32026	0.3
55.05508	2.8
57.03181	0.6
57.03441	6.9
57.07077	19.3
62.06092	0.4
67.05507	4.7
69.07068	7.7
69.83086	0.7
69.83485	0.8
71.04971	0.4
71.08632	13.8
77.45897	0.4
79.05471	0.5
81.07057	8.0
83.08631	4.5
85.10183	7.3
89.06030	1.0
93.07052	0.6
95.08610	10.4
97.10176	3.1
98.23376	0.4
103.07568	0.9
109.10167	4.3
111.11714	1.7
121.10172	0.4
122.40741	0.4
123.11692	2.1
125.13224	0.7
137.13266	0.8
151.14908	0.6
151.25308	0.4
153.71840	0.4
162.90715	0.4
207.50900	0.4
216.06248	0.6
225.22032	0.5
243.23184	1.7
268.26382	2.4
299.25809	100.0
300.26111	5.1
348.26035	0.4
358.20468	1.6
427.69458	0.5
440.30698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78885	1.8
55.05490	2.0
57.03434	4.7
57.07074	18.9
58.06597	12.6
59.04997	8.0
62.06091	22.2
62.86361	1.6
67.05495	5.1
69.07060	4.7
71.08633	12.6
71.47086	1.9
72.08144	1.9
75.42258	1.6
81.07063	8.2
83.08620	3.8
85.10177	6.4
87.00640	1.5
95.08604	10.4
95.45395	1.5
98.97547	2.0
98.98490	4.5
107.08564	1.8
109.10171	2.1
138.05513	8.4
155.01042	4.6
173.15373	3.2
268.26349	12.8
274.97427	2.7
286.24750	2.4
299.25797	100.0
300.26178	5.3
335.02429	2.2
355.18506	2.7
379.22256	4.7
422.26596	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70811	1.8
57.03436	15.0
57.07076	26.7
62.06090	100.0
69.07076	4.8
70.71294	2.7
71.08633	27.8
71.59271	2.1
75.04481	57.2
76.58039	1.8
79.05506	2.2
81.86585	1.8
83.08609	4.2
85.10177	16.2
95.08608	1.8
97.10183	2.7
98.98471	44.7
110.06039	4.1
113.13297	2.8
124.01606	5.0
138.05458	6.0
142.02652	6.2
155.01076	7.8
165.57208	1.9
173.02112	6.7
299.29391	21.4
368.05258	2.0
389.13245	1.8
397.27148	49.8
398.27460	3.2
399.10730	2.4
422.30252	5.8
440.31381	6.3
441.25613	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	440.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	5.0
60.99100	4.3
69.07060	9.1
81.07054	17.2
83.06145	4.6
91.05475	6.1
93.07034	6.9
95.08596	18.5
105.06996	10.8
107.08631	10.2
109.10169	9.3
119.08590	49.0
121.10149	7.1
129.73595	4.2
131.70100	5.3
133.10118	8.6
137.13257	10.1
144.09372	6.4
145.10112	18.7
147.11697	7.3
149.09662	4.4
159.10533	7.9
159.11713	100.0
171.11732	5.6
173.13274	14.4
187.14793	8.4
192.11081	4.0
267.89285	4.7
269.22641	12.0
287.23511	6.7
302.78729	4.5
392.26645	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	440.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	5.0
60.99100	4.3
69.07060	9.1
81.07054	17.2
83.06145	4.6
91.05475	6.1
93.07034	6.9
95.08596	18.5
105.06996	10.8
107.08631	10.2
109.10169	9.3
119.08590	49.0
121.10149	7.1
129.73595	4.2
131.70100	5.3
133.10118	8.6
137.13257	10.1
144.09372	6.4
145.10112	18.7
147.11697	7.3
149.09662	4.4
159.10533	7.9
159.11713	100.0
171.11732	5.6
173.13274	14.4
187.14793	8.4
192.11081	4.0
267.89285	4.7
269.22641	12.0
287.23511	6.7
302.78729	4.5
392.26645	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	440.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
55.68446	1.1
57.07077	28.4
57.48694	0.9
61.75245	0.9
63.77948	1.1
67.05505	1.5
69.07078	1.7
69.54183	4.1
71.08633	27.2
73.06564	6.0
83.08628	3.5
85.10181	26.2
85.10702	1.4
86.74142	1.0
87.04468	3.1
89.06033	100.0
91.07632	1.4
93.07059	1.5
95.08624	1.2
97.10188	1.7
98.22691	0.9
99.11736	2.4
99.43349	0.9
107.07084	3.8
117.09147	3.1
119.08585	1.0
130.08641	2.2
133.08609	44.7
140.08076	1.0
141.16374	4.2
177.11226	18.1
184.07430	1.4
185.19020	5.2
195.12329	2.8
221.13852	2.8
229.21602	11.5
239.14925	2.3
273.24341	4.1
283.17502	17.8
285.34119	1.0
335.27893	1.0
423.33163	27.6
440.36673	1.6
441.25784	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.1
63.79884	0.9
69.07070	1.4
70.06590	5.3
71.46618	0.9
76.24226	0.9
79.05470	1.5
81.07063	1.7
86.09708	5.9
95.08636	1.9
98.97585	3.1
99.07972	0.9
107.04983	1.0
109.10199	1.1
110.97554	1.0
111.08044	1.0
116.07087	1.0
116.98664	0.9
145.02873	1.8
163.03966	0.8
177.05502	4.0
185.09219	0.9
189.16508	0.9
207.03358	1.1
219.01741	1.5
225.18529	2.6
237.00694	1.3
237.02800	2.1
243.19638	1.2
245.79456	0.9
324.73419	0.9
326.17206	1.9
327.07480	3.5
435.95618	0.9
441.11542	100.0
442.11920	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1525
Annotation	Pharacine
Peak:m/z	Relative Intensity
65.00959	1.3
69.58785	4.1
70.06588	3.9
72.08160	2.5
82.03178	1.2
82.59433	1.3
86.09710	3.1
91.05467	1.8
107.04967	12.3
121.06519	1.5
133.06465	1.9
137.05956	3.3
147.04402	5.0
147.08052	1.7
148.04692	2.0
161.06003	1.2
162.06749	4.2
171.04362	2.2
177.05499	3.5
219.08075	4.0
247.07497	6.3
264.07965	1.3
275.06995	4.2
277.08636	2.0
279.09949	1.7
307.09668	9.7
325.10764	12.9
440.24557	2.0
441.15195	100.0
441.19623	4.0
442.15506	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	441.1526
Annotation	Pharacine
Peak:m/z	Relative Intensity
55.01868	2.4
55.05505	1.5
58.61720	1.2
61.02911	1.3
69.62457	4.1
69.62813	1.4
70.06584	5.7
71.04979	1.7
72.08157	7.6
73.02925	2.1
76.40221	1.2
85.02914	6.8
86.09702	14.8
91.05482	2.4
95.04412	1.2
97.02893	3.1
98.23401	1.8
104.10765	1.7
111.08080	3.3
115.03930	1.7
116.07078	4.5
119.04949	3.8
120.05260	2.1
127.03920	2.6
129.09091	2.7
137.06007	2.3
140.59163	1.4
147.04404	13.7
148.04752	13.4
149.04996	6.0
150.05276	3.0
150.07707	1.3
166.97636	1.5
175.07451	1.5
177.05435	1.4
184.07368	5.8
188.23195	1.3
199.18042	3.3
205.10522	4.1
206.10747	2.0
215.14006	2.8
219.08026	2.2
227.17549	7.1
229.15495	1.5
247.07628	1.9
275.06964	1.9
294.20712	2.2
307.09692	3.8
325.10770	5.0
424.22144	1.6
440.24606	10.5
441.15240	100.0
441.20313	5.5
441.25735	10.2
442.15781	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1527
Annotation	Pharacine
Peak:m/z	Relative Intensity
71.46748	1.5
72.08147	1.5
75.08284	1.5
81.07010	1.2
84.13114	1.4
85.02898	2.6
86.80576	1.1
94.37366	1.1
98.97591	1.4
107.28320	1.1
116.98590	1.4
121.06520	1.7
133.06503	1.4
177.05470	1.9
178.93066	1.2
185.19008	1.2
219.02026	1.8
382.23669	1.3
441.15268	100.0
441.20944	4.9
442.15579	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	441.1543
Annotation	Pharacine
Peak:m/z	Relative Intensity
53.86651	0.9
55.01873	2.1
56.96564	8.1
67.05508	1.3
68.86282	0.7
69.07082	1.1
69.22392	4.0
76.20935	0.8
79.05487	5.8
80.97818	0.8
81.07058	5.1
84.96029	4.3
91.05505	1.4
95.08604	2.3
98.23428	1.8
98.97585	51.8
103.05476	7.8
105.07034	51.7
108.06673	1.0
110.97572	5.3
112.99136	9.6
115.05462	9.5
116.98621	18.3
118.04159	2.7
121.06481	1.8
128.98627	3.8
131.00174	9.8
131.04965	4.8
133.06493	57.2
134.06902	1.2
134.99643	5.5
135.08084	0.9
140.00177	2.5
140.98598	2.4
142.96562	1.1
143.00203	2.1
143.05035	1.7
143.06067	5.4
144.98096	2.1
146.99655	1.7
148.05223	1.7
149.01213	4.2
149.05991	3.5
156.98071	1.6
158.99666	18.1
161.05983	100.0
162.06374	2.4
162.99138	1.5
163.07565	2.4
165.09088	0.9
170.99678	1.0
171.29808	0.9
173.01234	11.4
174.99104	1.1
177.00739	13.4
184.04990	1.8
185.05705	1.0
189.00719	1.1
191.02295	6.7
191.07031	16.0
193.08607	46.2
194.08952	1.6
195.01643	0.9
200.02280	1.4
201.00742	4.5
201.53635	1.0
202.98680	2.8
214.04080	0.8
215.06833	6.5
219.01773	8.0
235.01329	0.9
237.02832	8.8
237.05011	1.2
244.99651	4.5
253.11246	1.4
263.00784	1.2
263.21524	0.9
274.08200	1.5
277.02252	1.6
355.14279	23.9
356.14655	1.4
373.15326	22.3
381.13150	10.6
395.08078	0.9
396.16837	1.9
397.15341	23.5
398.15649	1.0
415.16443	4.8
441.15179	40.0
442.16010	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80936	0.5
65.94459	0.6
69.07060	0.8
70.25666	0.7
72.47397	0.5
73.42677	0.6
79.05487	0.5
93.07053	0.6
107.08560	0.8
137.81734	0.6
180.67274	0.6
185.04382	0.7
200.91412	0.6
201.03644	0.6
203.05284	1.5
214.36546	0.5
214.46555	0.6
227.05293	1.3
243.04756	2.4
245.06406	3.0
287.03717	11.0
289.05295	9.3
305.88287	0.6
349.53305	0.5
355.17297	3.3
376.00140	0.6
379.17877	0.8
397.13086	1.1
397.18341	21.2
398.18646	1.7
410.84045	0.5
425.57874	0.6
441.17325	100.0
442.17670	6.1
453.08832	0.6
454.62900	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.6
65.77108	0.4
69.03424	0.6
70.06694	1.1
70.07037	0.5
72.08144	0.8
73.08501	0.5
75.99905	0.5
78.41705	0.4
79.05508	0.6
81.07058	1.1
81.47960	0.4
85.02888	0.9
91.05487	1.5
93.07050	0.9
98.23411	0.5
105.07011	0.6
107.08592	0.6
119.04933	0.7
119.08553	0.5
121.10215	0.6
127.00076	0.6
133.10098	1.1
135.11699	0.7
137.09550	0.6
142.54985	0.4
142.70093	0.4
145.02847	1.6
145.10086	0.5
147.04408	5.6
148.04745	2.1
149.04951	1.0
152.43810	0.5
177.05437	2.4
193.12024	5.9
201.03645	3.0
203.05307	2.4
221.11475	1.1
261.18311	0.8
263.19791	2.8
277.15399	0.8
279.15643	0.6
289.05264	0.8
293.18610	0.8
294.18942	2.1
295.19125	1.8
317.75409	0.6
337.16223	1.3
339.17770	1.8
355.12894	0.7
355.17252	8.7
356.17355	0.6
379.17068	0.7
397.18338	36.6
398.18680	2.7
423.19711	2.0
441.17239	100.0
441.24414	54.7
442.17587	6.5
442.24759	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	441.1736
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
51.98225	0.4
65.50928	0.4
69.37318	1.5
69.37720	0.6
70.06585	1.5
71.04982	0.5
72.08141	1.1
79.05512	0.4
82.06564	0.6
82.53874	0.3
84.21060	0.4
85.02909	0.8
85.82215	0.4
86.03233	0.4
93.07030	0.9
97.66479	0.4
107.08661	0.4
110.06007	0.4
123.04739	0.4
127.00150	0.3
131.33992	0.4
147.04359	0.5
157.03442	0.5
164.64143	0.4
172.03722	0.4
184.07335	0.7
193.12019	2.2
224.70766	0.4
227.05296	1.2
229.15483	0.9
232.07072	1.0
243.04890	0.5
246.06860	0.4
247.07507	0.7
253.12845	0.5
271.04208	0.9
281.02271	0.4
287.03647	0.8
289.05225	0.8
290.05704	0.4
305.08160	0.7
307.09592	0.6
325.10730	1.3
337.16132	0.5
355.17239	5.2
379.17203	2.0
397.18332	24.6
398.18710	1.3
423.16199	9.4
424.16345	0.6
441.17288	100.0
442.17642	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	441.1737
Annotation	G(8-O-4)S Glycerol
Peak:m/z	Relative Intensity
57.26939	0.3
58.31956	0.3
69.07066	0.5
69.91915	0.7
81.07038	0.4
85.02930	0.6
86.09701	0.8
89.30381	0.3
91.05492	0.3
93.07047	0.6
97.06541	1.1
98.22792	0.5
104.10699	0.4
107.08572	0.7
109.02886	0.4
120.08109	0.6
124.32232	0.3
124.64212	0.4
127.00069	0.4
127.03969	0.3
130.06548	0.5
137.05975	0.6
162.06650	0.4
176.07123	0.4
184.07433	0.5
193.12030	3.4
219.08228	0.4
227.05295	0.6
243.04837	0.5
245.06171	0.6
247.07573	0.5
271.04199	0.9
275.07126	0.5
287.03754	1.1
289.05353	2.3
307.09705	0.6
309.76349	0.3
325.10660	0.9
325.16098	0.6
337.16223	0.5
344.99161	0.4
355.17343	5.2
356.51486	0.4
367.17230	2.1
379.17151	1.4
397.18344	32.2
398.18686	1.8
411.16336	2.0
423.16318	3.5
441.17291	100.0
442.17648	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	441.1736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61244	0.8
55.95344	0.8
57.89909	0.8
65.29630	0.9
73.32209	0.9
81.07058	1.3
90.22201	1.1
102.37944	1.0
108.02635	0.9
115.38486	0.9
117.03386	0.8
145.02866	2.6
177.05466	4.3
193.12038	1.2
201.03836	1.1
234.17671	1.0
265.15314	1.3
355.17267	11.0
397.18362	33.3
398.18542	1.9
434.49942	0.9
441.17337	100.0
441.24063	5.6
442.17700	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88386	0.4
62.60503	0.4
70.07734	0.7
70.08065	0.7
72.08140	0.4
73.69851	0.3
83.38358	0.4
85.38933	0.4
89.03917	1.8
91.05489	0.6
93.07057	1.0
97.02879	0.4
97.06480	0.4
107.08598	0.7
112.53048	0.4
113.44789	0.4
117.03374	5.7
119.01924	0.7
135.04514	0.4
143.01967	0.6
145.02849	13.8
149.05940	2.4
161.02956	0.9
170.55499	0.5
177.05467	27.9
178.05775	0.7
189.03493	0.4
193.12059	1.3
203.05414	0.5
227.05298	0.7
243.04732	3.7
245.06366	2.7
248.12791	0.8
265.15494	8.9
271.04279	1.4
279.15671	0.6
287.03745	16.9
289.05289	12.2
290.05759	0.6
291.13336	0.6
355.17233	2.8
397.18326	26.0
398.18710	1.7
423.38019	0.6
441.17291	100.0
442.17642	5.5
450.98480	0.4
467.95694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2023
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
67.05524	1.1
69.03431	1.8
69.07059	1.4
72.08155	5.3
78.04739	0.7
79.05482	1.1
81.03406	1.0
81.07054	1.5
83.08590	1.0
84.04523	1.6
85.02903	2.0
87.00809	0.7
87.24921	0.5
88.64870	0.5
89.03933	7.2
89.10793	2.2
90.05797	0.6
91.05469	0.9
92.05859	0.7
93.07043	1.8
95.08591	1.2
97.02910	0.9
98.23491	1.6
102.05558	0.9
105.01965	0.6
105.07055	1.4
107.08590	1.9
109.02892	1.2
109.10135	1.2
115.08735	0.7
117.03391	19.6
119.04959	0.7
119.08562	1.1
121.06488	1.0
121.10122	0.9
127.03923	1.7
133.10141	6.8
134.03651	1.3
134.10460	3.4
135.04395	1.0
135.10735	0.7
135.11673	1.1
137.09619	3.2
138.09929	1.8
139.10210	1.1
145.02856	60.1
145.54050	0.6
146.03195	1.7
147.04407	2.7
148.04716	1.8
148.05988	1.1
148.60030	0.6
149.05011	1.0
149.05998	6.5
177.05481	100.0
178.05818	3.2
186.05502	1.8
191.14313	1.9
192.14742	1.2
219.94566	0.6
245.06413	1.9
248.12813	2.4
259.19867	0.7
265.15497	35.5
266.15744	1.8
279.15649	2.6
287.11029	20.2
288.11197	0.8
289.05371	1.5
291.13354	1.4
295.19199	0.8
355.17355	4.1
397.18332	14.6
398.18668	0.7
441.17365	47.2
441.24557	85.0
442.17847	2.8
442.24966	4.8
448.40668	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2019
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
59.05003	0.9
62.31656	0.6
67.05505	0.9
72.08125	1.0
81.72910	0.6
84.08136	2.6
89.03904	5.0
91.05492	5.4
95.08602	0.6
100.11240	0.8
102.09197	1.3
114.09185	1.1
117.03378	22.0
119.04947	12.4
119.11825	2.2
130.12225	0.8
134.03658	1.4
135.04416	0.8
142.08621	0.7
145.02844	60.5
146.03166	1.2
147.04408	66.6
148.04750	3.7
149.04921	0.8
149.05975	6.8
156.13802	1.5
163.03908	1.1
175.14771	0.7
177.05472	100.0
178.05807	2.2
180.74069	0.7
186.05507	1.1
191.94632	0.6
201.37886	0.6
210.14841	0.6
218.11772	9.5
229.13383	0.7
230.11777	5.6
247.14432	22.5
248.12767	5.0
260.12814	3.6
265.15479	10.4
275.07162	1.6
277.15485	14.6
278.15985	0.7
278.29086	0.5
278.43753	0.7
294.18997	0.8
295.16431	7.6
295.19250	1.0
303.06433	2.0
325.10797	1.1
335.09146	2.8
383.57300	0.7
423.19135	23.5
423.24918	1.2
424.19324	1.3
441.20407	3.8
441.34308	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	441.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01169	0.9
55.01865	1.0
70.06602	1.0
72.08154	2.0
79.05502	1.0
84.08128	0.9
90.25367	0.8
91.05476	1.2
96.25577	0.8
100.07615	4.6
102.04684	1.3
105.07017	1.9
107.04930	1.8
110.06921	1.0
112.48835	0.8
115.05462	1.9
119.04928	2.6
120.05268	2.1
122.03629	2.7
130.04144	8.0
131.04895	1.2
133.06499	1.7
137.05974	33.4
143.04916	2.2
145.06551	1.0
145.15881	0.8
146.03630	1.5
147.04408	17.0
148.04752	9.6
149.04938	6.0
150.05255	1.6
150.06776	3.0
151.03905	1.1
155.04874	1.0
161.05968	7.3
162.06770	36.0
163.07124	1.4
171.04411	20.4
179.08600	0.9
183.04434	6.0
185.02303	0.9
189.06979	1.6
190.07788	3.1
191.08577	10.1
201.05299	1.3
201.06989	1.5
202.07668	1.5
203.08607	0.9
204.10158	2.1
205.06500	2.6
205.10580	1.7
206.10722	2.5
207.08076	6.5
217.06570	1.5
218.07227	6.7
219.08038	32.2
220.08461	1.6
221.06042	1.1
229.06514	2.4
231.07964	1.1
233.05981	1.5
234.06767	2.3
235.07544	9.5
236.08315	3.7
242.82846	1.1
246.06721	3.2
247.07533	49.5
248.08087	4.8
249.09229	1.5
252.07622	1.0
257.05975	2.2
258.06479	0.9
261.09006	2.3
262.06165	1.3
263.07034	5.6
264.07837	6.9
265.08545	3.3
267.10300	1.3
274.06244	2.7
275.07031	33.9
276.07611	3.8
277.08545	11.2
279.10233	6.6
289.08411	4.7
290.09143	1.2
292.07245	5.7
293.20572	1.1
294.21124	1.1
295.09677	19.3
307.09634	50.8
308.10034	2.3
312.12521	1.2
325.10681	100.0
326.11044	6.0
382.16522	1.1
394.16479	15.7
399.47745	1.0
410.02051	0.8
411.19119	5.6
424.17368	8.4
424.22003	1.3
441.19937	20.2
441.24969	8.0
442.19986	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2026
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
50.91704	0.2
52.03203	0.3
57.03431	0.4
61.02934	0.3
63.02378	0.4
68.45017	0.2
69.03425	0.5
69.26818	1.5
72.08157	2.4
73.02921	1.7
73.87655	0.2
78.04727	0.3
85.02909	2.8
89.03922	5.9
89.10796	0.9
91.05488	0.4
97.02888	1.4
98.23477	0.4
103.05505	0.3
106.04156	0.4
115.03952	0.6
115.08707	0.6
117.03387	20.9
118.03748	0.3
124.05267	0.3
127.03893	0.9
133.04984	0.6
134.03665	1.1
135.04427	0.7
138.53990	0.2
145.02855	56.6
145.04865	1.7
146.03201	1.2
149.05984	5.9
162.03123	0.3
163.03906	0.5
163.06010	0.7
177.05476	100.0
178.05847	2.5
186.05478	0.9
247.14488	0.5
248.12810	3.0
265.15494	31.3
266.15820	1.1
291.13348	3.1
348.08231	0.3
350.98407	0.3
441.20102	3.4
441.24811	0.4
452.48660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02367	0.5
69.68365	0.4
69.68689	0.5
71.70419	0.3
72.08157	3.3
75.77097	0.2
78.04664	0.3
88.98726	0.3
89.03915	6.8
89.10394	0.2
89.10796	2.1
91.05470	0.6
91.80433	0.2
98.06052	0.3
98.22752	0.5
106.04147	0.4
115.08668	0.5
117.03380	22.8
118.03727	0.5
124.05112	0.3
134.03622	1.6
135.04399	1.3
145.02844	59.0
146.03203	1.9
149.05978	7.3
157.18384	0.3
162.03162	0.5
163.03888	0.5
177.05467	100.0
178.05814	3.2
186.05484	1.4
246.05009	1.5
247.14612	0.7
248.12802	2.8
257.99063	0.3
265.15469	34.2
266.15851	0.9
287.03778	0.3
287.11008	6.8
291.13364	2.7
397.18552	0.5
409.14145	0.5
441.12610	2.2
441.19849	1.9
441.24747	28.4
442.25159	1.1
456.67664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
55.01876	1.6
55.05508	2.7
56.95161	0.3
57.03423	1.2
57.07064	0.9
59.04980	0.2
61.02929	1.4
65.03934	0.4
67.05505	2.1
68.99775	0.9
69.03432	8.2
69.06704	0.4
69.07069	6.5
71.04977	0.9
73.02920	1.2
77.34163	0.2
79.05489	1.8
81.02961	0.4
81.03419	5.2
81.06702	0.2
81.07066	3.1
83.04971	0.6
83.08624	2.0
85.02908	15.0
85.06548	1.2
87.00831	6.3
90.64303	0.3
91.05476	3.7
93.07047	4.5
95.04962	0.6
95.08607	8.7
97.02896	7.5
97.06544	0.5
97.10104	0.3
99.04456	2.5
101.02375	0.7
103.03936	0.4
103.05460	0.4
103.91589	0.2
105.01869	5.1
105.06448	0.2
105.07028	8.1
107.08600	8.8
109.02876	5.3
109.06510	1.0
109.10154	5.3
111.04451	0.3
111.08073	1.2
113.02384	0.3
115.03918	1.1
115.05414	0.3
117.01857	0.8
117.07037	1.6
117.90454	0.3
119.04969	0.4
119.08585	31.4
120.08907	0.6
121.06438	0.4
121.10146	10.9
122.10477	0.5
123.04543	0.2
123.08069	0.8
123.11698	0.9
125.02364	2.1
127.03911	10.2
129.01833	0.9
129.06946	0.3
131.08583	1.6
132.09372	0.3
133.10127	26.7
134.10704	0.7
134.57848	0.3
135.08035	0.5
135.11699	4.0
137.09612	0.8
142.07758	0.3
143.03389	0.7
143.08501	0.5
144.09360	0.3
145.02821	0.5
145.04944	3.7
145.10121	4.2
146.10840	0.3
147.02885	0.7
147.04378	0.7
147.11679	6.4
148.04729	0.4
149.09599	0.6
149.13252	1.4
151.14859	0.3
155.08641	0.3
157.10107	0.9
158.10912	0.4
159.02878	3.2
159.08011	0.3
159.11697	1.1
160.12486	1.2
161.04492	0.4
161.13284	2.6
163.14882	0.5
171.11647	0.6
173.13258	2.8
175.14821	100.0
176.15175	3.5
177.05479	0.6
177.16379	11.1
178.16745	0.4
181.10095	0.3
185.13206	0.4
187.14828	2.9
188.03569	0.3
189.03902	0.5
189.16347	0.9
193.15875	7.4
199.14839	0.7
201.16386	0.4
203.10497	0.3
205.15874	6.5
213.03960	0.4
217.15904	0.9
227.14270	0.4
229.03606	0.4
229.15706	0.4
231.05016	2.2
241.15761	0.6
247.04530	0.5
247.16760	0.3
249.06055	0.8
265.15848	0.6
283.16928	1.0
286.98380	0.3
294.10748	0.3
301.18066	1.3
303.06406	0.4
319.19141	0.7
387.17926	0.7
397.18478	0.4
405.19391	1.4
413.93896	0.3
423.20111	1.7
441.16339	0.8
441.21872	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	441.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.5
63.02383	0.5
68.97173	0.5
69.72684	0.5
77.52644	0.4
86.09670	1.3
89.03928	3.2
95.49603	0.5
97.92324	0.5
98.34250	0.6
98.97572	0.7
102.37768	0.5
103.12313	0.6
117.02568	0.8
117.03374	14.7
129.10208	0.5
134.03653	1.0
135.04456	0.8
145.02844	48.7
146.03139	1.1
149.05997	5.2
149.29895	0.5
162.03229	0.6
167.44308	0.5
177.05466	100.0
178.05800	2.0
201.00691	0.6
262.14334	0.9
279.03839	0.7
279.17020	11.6
339.10739	0.6
441.22305	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	441.2253
Annotation	(+/-)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystyryl]-cyclohexene
Peak:m/z	Relative Intensity
54.74464	2.3
65.10327	2.4
70.56815	3.2
70.57150	2.8
71.44210	2.3
79.05499	2.5
82.84265	2.3
98.88925	2.4
156.03827	2.6
167.58412	2.1
177.05582	7.4
180.69765	2.2
184.36229	2.4
186.75581	2.3
188.69063	2.2
199.80147	2.5
215.92813	2.4
265.15463	2.5
277.58167	2.7
295.15253	4.1
352.36218	2.2
367.17932	2.8
441.23486	100.0
442.23343	3.3
465.00870	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	441.2254
Annotation	(+/-)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystyryl]-cyclohexene
Peak:m/z	Relative Intensity
79.05492	13.2
81.07044	12.6
82.25508	9.4
82.40158	8.9
87.73687	9.1
93.07117	8.5
95.08600	9.2
100.11285	12.3
100.28860	10.6
105.07050	13.8
174.27078	9.0
318.68604	9.7
325.06989	9.8
441.17117	20.3
441.23212	100.0
465.69412	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	441.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76767	2.7
56.96569	77.8
70.00171	7.4
72.96033	3.1
79.82653	2.5
91.99755	2.3
97.12431	2.7
99.62199	2.5
115.27255	2.3
137.02745	6.2
143.50018	2.4
177.05937	5.7
194.69676	2.5
195.06897	4.2
209.08411	3.8
219.06973	3.2
223.07266	3.0
231.06937	3.5
245.08455	4.3
245.12164	6.3
247.10205	3.3
249.11620	5.1
251.06125	3.1
263.09879	2.9
263.13162	3.4
277.11026	3.5
315.20013	12.2
333.20908	16.8
341.17947	11.3
359.18817	31.7
367.17911	4.6
377.19980	83.1
378.20294	4.6
395.21039	100.0
396.21408	5.2
400.21655	12.8
407.21936	98.6
408.22174	8.5
413.22086	39.2
418.22531	23.6
423.22311	3.4
436.23651	30.7
441.19159	42.9
459.20038	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2253
Annotation	(+/-)-trans-3-(2,4,5-Trimethoxyphenyl)-4-[(E)-2,4,5-trimethoxystyryl]-cyclohexene
Peak:m/z	Relative Intensity
50.47113	9.1
55.05507	9.6
58.77265	10.6
63.30092	8.5
64.25401	10.4
70.21338	10.1
74.50233	8.6
95.08651	11.2
124.03938	15.8
146.08629	10.1
150.63725	9.0
174.80026	10.1
200.37021	8.9
225.46492	11.2
281.13708	12.9
297.78461	10.4
323.32635	8.9
353.13519	15.4
382.41592	10.2
420.50739	9.6
423.34259	9.6
441.22510	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89396	2.4
56.96568	62.9
67.05508	2.9
69.07076	5.1
69.80652	8.3
76.63711	2.8
79.73518	2.4
81.07032	6.2
83.08649	3.4
84.96038	3.0
93.07034	3.9
95.08605	4.5
105.07036	2.7
109.10174	6.9
122.05193	2.5
124.03953	8.5
165.09125	7.3
174.57458	2.3
178.42561	2.4
219.06990	3.7
245.12251	4.4
261.11526	2.7
262.56104	2.9
313.18265	3.4
315.19833	10.6
333.21030	14.0
341.17963	5.2
359.18979	24.5
377.20026	79.9
378.20383	3.2
395.21069	100.0
396.21667	4.9
400.21848	14.0
406.84396	3.2
418.22910	14.2
418.60114	3.1
441.23016	13.7
459.20047	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	441.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.9
56.96567	79.2
61.46131	0.9
64.38230	0.8
67.05503	1.3
69.07092	0.9
69.15668	5.1
71.95257	2.1
72.96040	3.4
74.16397	0.8
84.96021	2.3
89.71705	0.8
92.98679	1.1
98.97565	1.6
105.07019	1.1
105.78886	1.0
105.85487	1.0
119.01720	2.2
119.25880	0.9
124.03966	1.4
137.02730	4.5
151.00670	0.9
151.04265	1.4
155.03795	3.1
157.65996	1.1
165.09096	1.2
171.03062	0.8
173.02756	1.2
177.05869	3.1
181.05234	1.0
191.07469	0.9
193.05370	1.5
195.06920	5.5
197.04713	1.0
200.37836	1.0
201.04311	1.3
201.06013	1.3
209.08528	2.5
213.05922	2.0
213.07942	1.4
215.07468	1.6
219.06984	2.5
221.08508	1.4
223.06429	1.1
227.07486	1.4
227.11127	1.6
229.08990	3.8
231.06908	3.1
231.10608	2.7
233.04803	1.9
233.08415	1.5
235.09998	1.6
243.10667	1.5
244.91353	1.0
245.08527	4.3
245.12181	6.4
247.10110	2.6
249.11797	4.9
250.36833	1.0
251.05943	1.1
251.13261	1.8
257.11996	1.3
259.10117	1.2
259.13934	1.3
261.07935	1.4
263.05765	1.0
263.09515	1.6
263.13184	3.0
265.14722	2.1
277.11145	1.6
277.14828	1.8
281.10620	1.7
295.12228	2.3
299.11737	1.5
313.13321	1.8
313.18326	3.3
315.19980	9.9
329.17953	1.6
333.20972	13.1
341.17694	8.0
349.16837	1.2
356.22571	1.5
359.18893	29.5
359.23450	1.5
360.19159	1.9
367.17889	2.9
377.19968	77.0
378.20227	3.8
382.20432	4.8
395.21051	100.0
396.21426	4.6
400.21552	11.2
401.22079	1.2
407.22058	7.6
413.22089	37.1
414.22418	2.9
418.22647	25.4
419.22894	1.5
423.18338	1.2
436.23776	26.7
441.19006	15.8
441.24280	3.0
442.19415	1.5
459.20239	4.0
459.25690	1.7
464.20694	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2464
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
78.69794	0.8
81.35001	0.8
86.09744	1.5
98.97595	1.0
103.63317	0.7
105.87499	1.1
109.27077	0.8
117.03362	2.3
145.02876	5.7
147.04486	1.0
149.06049	0.9
150.17596	0.8
163.03941	2.7
177.05455	9.2
184.07393	1.2
187.03778	0.8
190.07419	0.9
218.05576	1.8
246.04988	7.6
279.16986	4.5
297.16904	1.1
441.11975	13.0
441.18225	3.2
441.24625	100.0
442.12234	1.1
442.24854	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	441.2462
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
69.03424	0.5
69.07088	0.5
69.43032	0.8
79.86540	0.4
80.27812	0.3
81.03429	0.3
85.02901	0.8
89.03927	0.4
91.05474	0.4
95.08622	0.3
97.02902	0.5
109.10160	0.3
117.03366	1.2
119.08535	0.4
127.03986	0.5
133.10143	2.4
134.10463	1.2
135.10794	0.5
137.09644	1.8
138.09993	0.4
145.02837	3.3
175.14862	0.6
177.05470	6.0
187.22729	0.4
191.14388	0.6
193.15074	0.4
193.75043	0.3
265.15488	2.3
287.11035	24.5
288.11511	1.2
316.03763	0.4
339.15463	0.4
441.24640	100.0
442.24973	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	441.2464
Annotation	Lys Phe Phe
Peak:m/z	Relative Intensity
73.40518	0.4
82.12092	0.5
88.84627	0.4
91.05502	0.6
117.03379	1.4
119.04929	0.8
145.02853	4.9
147.04407	5.1
149.05954	0.6
177.05472	8.3
247.14505	1.4
265.15421	0.6
277.15536	1.0
295.16605	0.6
303.06763	0.6
323.82648	0.5
355.17307	1.3
367.20670	0.6
423.19165	1.6
423.31812	0.5
441.24637	100.0
442.24927	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	441.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	2.2
57.07060	2.0
57.88982	1.8
67.05495	2.9
69.07068	2.6
76.80776	1.5
79.39284	1.5
81.07047	2.4
83.08640	2.0
86.09677	2.5
89.52504	1.9
95.08606	3.3
98.37132	1.7
105.07052	2.1
106.82294	1.6
107.08582	2.3
109.10185	2.2
118.13788	1.5
133.10127	1.8
139.03654	100.0
139.34128	1.7
139.57729	1.6
140.03955	2.1
165.09117	5.3
184.07399	3.3
203.10616	1.7
204.47966	2.1
214.12363	1.7
248.44766	1.9
325.21255	8.7
408.11426	1.7
441.26096	54.7
441.33011	4.7
442.26413	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2615
Annotation	Arieianal
Peak:m/z	Relative Intensity
55.05524	2.3
61.36338	1.0
68.64719	1.2
69.07070	2.3
71.46605	1.0
79.05506	1.4
81.07071	2.5
83.08611	1.4
93.07051	1.6
95.08589	1.7
98.97556	1.1
105.07072	1.5
109.10091	1.3
121.06518	1.2
125.05749	2.0
131.08577	1.3
138.05531	3.9
147.08136	1.2
184.07364	1.5
277.67035	1.5
339.19336	26.4
352.03696	1.1
380.21866	2.2
441.26172	100.0
442.26492	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	441.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10889	0.5
95.20435	0.5
98.97589	0.5
104.99223	0.6
155.15895	0.5
184.07455	0.7
229.07669	0.7
246.59016	0.5
269.13620	5.9
297.13193	0.9
318.18817	0.5
381.20416	0.6
409.18280	2.7
423.19604	0.8
441.22913	3.9
441.28329	100.0
442.28665	6.2
462.90057	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2827
Annotation	Klyxumine B
Peak:m/z	Relative Intensity
57.38453	0.3
65.78878	0.4
69.47036	1.3
79.05470	0.4
86.28667	0.3
163.70923	0.3
165.99864	0.4
169.78383	0.3
172.84415	0.3
198.23293	0.3
201.71532	0.3
269.13705	0.9
269.17828	0.3
341.19437	0.5
423.73996	0.4
432.81775	0.5
441.28299	100.0
442.28662	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	441.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80843	0.8
69.81190	0.4
83.62732	0.3
94.82790	0.3
98.23413	0.5
146.79482	0.3
177.89784	0.3
269.13614	0.8
305.11194	0.3
353.15671	0.8
411.27725	0.4
441.28278	100.0
442.28635	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	441.298
Annotation	Grevirobstol B
Peak:m/z	Relative Intensity
55.05507	1.5
67.05499	1.4
69.07087	2.5
69.26630	7.2
70.60313	1.1
72.05231	1.3
73.99458	1.2
79.05486	1.6
81.07072	3.5
86.57215	1.2
89.45499	1.3
90.63366	1.2
93.07036	2.5
95.08614	4.2
98.23439	3.0
105.07069	1.8
107.08611	2.6
109.10181	3.4
114.81021	1.4
119.08599	2.1
121.10165	1.4
123.11728	1.2
133.10114	1.8
135.11731	1.8
139.03661	10.1
143.08543	1.5
149.13219	1.6
153.05226	96.2
154.05539	2.0
157.10153	1.5
165.09123	4.5
167.93681	1.3
170.03989	1.3
234.19376	1.4
311.23434	13.4
325.21368	6.9
359.59943	1.4
441.29819	100.0
442.30231	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	441.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.6
57.03435	2.7
57.07070	4.7
58.06600	3.6
59.05021	1.2
61.85697	1.1
67.05512	10.7
69.07076	13.8
69.49345	5.5
71.08636	8.3
79.05488	4.8
81.07062	17.3
83.08615	8.8
85.06543	2.0
91.05500	3.4
93.07045	8.3
95.08607	16.3
97.06512	4.4
97.10197	1.6
99.08113	7.5
105.07028	7.4
107.08595	11.8
109.06518	8.8
109.10175	7.9
111.08074	3.1
119.08570	9.0
121.06510	2.6
121.10167	7.7
123.08078	22.2
123.11687	3.2
125.06071	1.9
128.14764	1.4
131.08568	1.6
133.10143	9.1
135.08086	4.8
135.11728	3.9
137.09621	4.3
138.34808	1.3
145.10118	3.7
147.11668	3.9
149.09697	3.6
149.13234	1.9
153.12762	2.9
159.11676	3.1
161.09680	1.4
161.13239	2.0
167.14264	1.7
175.14894	1.7
179.14310	38.5
187.14992	1.6
189.16441	1.7
191.14297	2.3
193.15921	2.3
251.20033	10.3
254.71593	1.5
293.21054	6.4
293.28458	3.7
303.26764	12.6
321.27805	1.8
331.26312	38.0
332.26648	2.8
349.27420	44.2
405.29938	5.5
423.31085	100.0
424.31427	6.4
441.18927	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	442.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36207	0.3
63.02381	0.5
65.68984	0.3
69.07063	0.2
70.06596	0.8
72.08174	0.2
85.02885	0.3
86.09713	1.5
89.03910	2.6
91.05478	0.4
98.21210	0.2
103.05491	0.3
104.10782	0.5
117.03387	10.6
119.04977	0.3
123.04369	0.3
134.03644	0.5
135.04462	0.6
137.05937	0.7
137.93437	0.3
145.02853	39.9
146.03188	0.8
147.04353	0.4
149.05995	4.6
151.07576	0.3
163.03900	0.5
177.05478	100.0
178.05817	2.8
186.05504	0.3
196.95914	0.3
263.74728	0.2
272.08112	0.4
280.15436	6.5
315.13376	0.3
321.09738	0.8
327.51123	0.3
339.10660	0.9
424.12924	0.3
442.20486	0.8
443.18655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62113	1.1
51.92719	1.2
52.56239	1.3
53.03950	1.5
55.01875	10.6
57.03438	21.2
59.04997	3.5
61.02927	18.2
69.03062	2.0
69.03432	34.5
70.06587	3.8
71.01346	3.9
71.04990	2.1
72.04522	1.8
73.02919	100.0
79.05471	1.3
81.03431	5.6
84.04528	1.8
85.02905	83.4
86.09702	1.3
87.04449	5.6
91.03951	3.6
91.05473	2.2
93.06987	1.3
95.08614	6.2
96.04482	1.9
97.02893	61.8
98.06085	1.1
98.86700	1.2
99.04461	5.4
102.05537	1.8
103.03941	3.5
107.04956	1.3
109.02904	7.7
113.09651	5.3
115.03936	36.5
118.67519	1.1
119.04915	1.8
120.90611	1.2
121.06577	1.6
127.03913	29.6
131.10658	1.3
132.06552	2.0
133.04974	47.3
144.06587	5.4
145.04967	47.1
147.04419	7.8
150.07617	4.5
156.06606	1.7
157.05093	1.1
159.08096	1.6
162.07613	2.7
163.06023	16.2
163.08923	1.3
175.23944	1.3
180.08702	7.3
184.07281	2.0
193.04997	1.4
199.05960	2.3
217.07068	2.4
223.06041	6.0
227.12804	2.0
241.07126	8.9
245.13756	2.7
259.08109	9.9
262.35870	1.2
275.14621	1.3
276.10785	1.6
277.09058	2.2
293.16006	1.5
294.11957	3.2
295.10107	3.3
312.13220	1.5
442.16638	5.5
443.12994	4.1
443.18436	4.3
443.23004	3.5
449.83286	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.06069	1.2
55.01875	2.2
55.05523	2.7
57.03439	22.2
61.02924	10.0
67.05490	1.7
69.03431	29.9
69.07057	2.0
69.32240	2.3
69.32648	5.7
71.04995	1.6
71.08627	1.4
73.02919	46.1
81.03417	5.9
81.07058	1.8
84.04518	2.8
85.02908	100.0
86.55558	1.3
87.00811	4.1
87.04492	6.6
91.03940	5.0
93.07041	1.3
97.02895	47.2
98.23425	2.7
99.04459	5.7
102.05550	2.1
105.01881	5.2
105.07021	1.6
109.02857	10.4
109.10101	1.7
111.11728	2.4
111.79704	1.3
115.03936	29.0
116.11739	1.1
117.03393	3.1
118.03705	1.9
119.08572	1.4
127.03017	2.4
127.03919	33.9
133.04973	12.3
133.10059	1.4
145.02942	9.8
145.04962	51.7
146.03206	4.0
146.05357	1.3
148.06052	2.4
150.07629	3.2
151.11183	1.6
151.17595	1.2
163.06018	26.2
175.14966	1.5
177.05469	14.5
178.05798	10.4
184.79372	1.3
195.73123	1.6
207.57246	1.1
223.06050	1.6
233.93846	1.2
241.07045	4.2
259.08136	3.0
265.15488	3.8
266.15842	5.2
293.19595	4.2
295.10260	2.4
319.10117	1.3
345.63147	1.3
383.14499	1.4
442.25204	8.2
443.18311	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	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
55.01867	6.1
56.47786	0.5
57.03437	13.5
57.07083	0.9
59.04993	1.2
60.06849	0.5
61.02927	15.4
63.74339	0.5
67.05482	0.7
69.03431	28.7
69.07063	1.2
69.26756	0.8
69.27164	2.3
71.01358	3.6
71.04991	2.3
71.08628	2.8
72.08154	0.9
73.02917	69.1
79.05524	0.7
81.03420	5.8
81.07063	0.7
83.04980	1.0
85.02907	100.0
85.49957	0.5
86.03250	0.7
87.04471	4.4
89.03922	2.5
91.03954	3.5
93.07048	1.3
95.08619	1.8
97.02892	51.9
98.03236	0.9
99.04465	4.6
100.11278	0.6
103.03922	2.9
105.07018	0.8
107.05003	0.6
107.08612	1.5
109.02879	8.4
109.10171	1.2
111.11747	0.6
115.03931	25.9
117.03391	5.0
118.03726	2.8
119.08593	1.5
120.08106	8.2
120.08894	0.6
121.10155	1.5
127.03915	31.1
133.04965	32.8
133.10150	0.7
134.05333	0.6
135.11708	0.8
137.05977	0.8
143.52448	0.5
145.02899	15.0
145.04958	57.0
146.03171	8.6
146.05312	0.8
149.05988	1.7
150.06419	1.2
150.07632	2.6
157.05054	0.9
159.11665	0.9
163.03998	0.6
163.06021	21.8
177.05473	25.1
178.05815	17.8
189.16281	0.6
191.17914	0.6
193.05043	1.5
199.06120	0.7
207.17464	0.6
215.17921	0.7
217.07112	1.4
223.05975	4.7
227.16333	0.8
233.19063	0.8
241.07051	6.3
248.12857	0.6
249.13152	1.1
259.08185	7.3
265.15527	4.3
266.15747	8.3
277.09137	1.8
284.49426	0.6
292.13892	0.8
293.19608	3.1
295.10272	2.1
398.18857	4.4
424.36609	0.8
442.17401	13.1
442.25204	1.6
466.02750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.7
57.03434	19.1
61.02916	18.2
63.24933	2.4
69.03429	28.6
73.02914	61.3
79.05483	2.9
81.03400	4.1
81.07075	4.4
84.04496	5.8
85.02905	100.0
87.04458	5.8
89.55464	2.5
91.03958	3.4
93.07038	2.7
97.02889	54.9
97.03488	4.4
99.04496	3.3
105.07012	2.9
109.02883	6.9
115.03935	29.6
127.03904	33.1
130.04990	2.9
133.04962	38.0
145.04962	55.0
163.06024	24.4
164.07072	7.1
185.40134	2.6
200.38852	2.7
223.05952	7.0
227.16229	3.2
241.07051	9.3
259.08191	7.4
380.79755	3.0
442.25833	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55863	0.6
50.81836	0.7
53.03932	1.4
55.01876	6.4
55.05505	1.0
57.03437	13.3
57.07066	1.3
59.04997	1.8
61.02930	13.0
67.05500	1.1
69.03429	29.3
69.03804	1.4
71.01353	2.2
71.04999	2.9
71.08651	1.1
71.47380	0.6
72.04527	0.6
73.02919	61.4
79.05505	0.8
81.03425	6.7
81.07073	1.8
81.94882	0.6
84.04516	1.6
85.02907	100.0
86.03246	0.7
87.00825	2.8
87.04475	3.0
91.03979	4.1
91.05447	1.5
93.07043	0.8
95.08618	0.9
97.02895	49.2
99.04462	4.8
102.05573	1.0
103.03946	3.2
105.01868	4.6
107.08582	1.0
108.04504	0.7
109.02876	10.3
111.04389	0.7
115.03930	21.3
117.03369	0.7
121.06470	1.0
121.10200	1.0
127.03915	34.5
128.04355	0.9
130.05003	1.4
132.06650	0.7
133.04967	27.8
145.04961	53.5
148.06017	1.5
150.07640	2.2
157.04939	1.0
163.06020	17.6
163.07297	1.3
177.05499	2.4
193.85461	0.7
217.07101	1.5
223.06033	4.5
227.16385	1.2
231.05034	1.8
234.48297	0.8
241.07072	5.1
259.08133	8.0
277.09052	1.3
293.19687	2.3
295.10349	1.0
433.97983	0.7
442.25351	8.3
443.18506	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
68.63577	4.5
70.06586	6.6
70.66801	8.3
70.67125	6.4
71.97996	4.4
75.29360	4.1
81.04555	7.7
85.16965	4.3
88.07651	8.7
91.19271	4.5
99.72286	6.3
117.03370	7.5
121.06532	12.5
122.07166	32.0
123.07953	33.9
136.06158	12.9
143.49686	4.7
145.02814	42.4
148.11235	6.3
177.05486	100.0
191.94421	5.0
281.10623	24.1
281.14951	15.5
436.78003	5.1
443.09326	29.9
443.15790	26.0
443.20374	15.0
444.21225	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	443.1316
Annotation	Pratensin A
Peak:m/z	Relative Intensity
51.16706	0.5
51.35852	0.5
58.43044	0.5
69.03421	1.3
70.06623	0.8
70.48306	1.1
72.08170	0.5
85.02895	1.6
86.09718	0.9
107.04979	6.4
127.03902	0.7
137.05975	3.5
145.06531	1.5
201.05406	3.7
203.05086	0.6
205.06708	0.7
213.49036	0.6
234.06703	0.7
235.07596	0.6
246.04964	10.6
247.05544	0.8
247.07770	0.7
251.10800	1.0
262.06384	1.2
263.10764	1.6
265.08591	0.7
277.08603	1.6
290.05829	1.8
295.09689	0.6
305.08032	3.3
307.09808	0.9
325.10629	1.6
337.10690	7.9
355.11731	2.6
425.21402	9.7
436.80612	0.6
443.13129	100.0
443.22644	13.5
443.29764	5.2
444.13776	4.6
444.19476	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1319
Annotation	Pratensin A
Peak:m/z	Relative Intensity
56.31293	0.7
59.07312	0.7
62.21456	0.7
63.25692	0.7
71.46169	0.9
81.07066	1.8
82.19027	0.8
84.04491	1.2
93.07043	1.0
105.07066	1.1
113.82850	0.6
133.10139	0.8
148.06067	0.9
159.11737	0.9
161.09628	1.2
169.95419	0.8
195.13791	1.6
219.06238	0.8
226.74522	0.7
231.02861	0.9
246.05014	12.4
247.05646	2.0
271.04416	0.9
357.18781	1.5
395.10687	1.1
399.19919	8.3
442.24930	3.1
443.13022	100.0
443.18735	28.5
443.25421	2.1
444.13535	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	443.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15014	0.6
54.03476	3.6
55.04258	4.8
60.56422	0.6
61.27332	0.6
64.15346	0.8
69.03432	1.7
70.30058	1.3
70.30383	0.8
81.04543	20.7
82.05322	10.6
85.02903	2.2
90.56699	0.6
97.02898	1.6
108.05569	0.7
110.07148	1.1
121.06508	0.9
121.08262	0.6
122.07155	100.0
123.07941	93.6
124.08250	1.5
127.03941	0.8
136.06181	1.3
144.04764	1.5
145.02814	3.2
149.05978	0.9
160.04283	2.2
165.07715	3.7
172.04224	1.0
177.05508	5.4
180.43398	0.6
194.56087	0.6
271.68317	0.6
281.10666	60.7
282.11008	1.4
304.59723	0.6
323.11633	1.0
353.50955	0.7
358.92746	0.6
443.15952	92.8
444.16278	6.6
444.84937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1676
Annotation	4'-Hydroxy-3,5,8,3'-tetramethoxy-7-prenyloxyflavone
Peak:m/z	Relative Intensity
50.40080	0.8
51.27013	0.9
71.15063	1.2
77.52913	0.9
86.70472	0.8
87.87386	0.8
88.24878	0.9
94.62373	0.8
94.77312	0.9
95.08591	1.0
144.16055	0.8
188.53543	0.9
217.04761	1.8
232.07057	27.8
232.09293	1.8
233.07845	5.5
279.03973	0.9
289.56009	0.9
370.21808	1.0
412.14929	2.0
413.15781	1.9
442.82803	1.8
443.16769	100.0
444.17404	7.1
454.57022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.8
57.86327	0.6
58.08221	0.6
61.02916	1.5
69.03445	1.2
69.07083	0.6
70.06587	0.9
79.05479	1.4
81.07068	1.1
85.02913	2.9
91.03915	1.2
91.05460	1.3
93.07051	0.7
95.04935	0.7
95.08566	0.9
97.02917	0.8
99.04443	1.0
107.04957	1.9
115.05447	1.3
127.94070	0.7
129.07030	1.3
130.07729	0.6
131.08563	1.7
137.06001	0.9
141.06979	3.3
144.05693	0.9
157.06451	3.3
158.07259	2.7
159.08109	2.2
165.06989	1.1
167.07010	2.6
169.06436	1.6
170.07262	1.9
177.12741	0.9
179.10753	0.6
186.06726	4.2
187.07578	1.0
191.08618	2.0
195.13631	1.1
198.06738	0.8
200.08369	2.3
201.09125	2.6
202.07788	2.4
203.08553	3.0
205.06596	1.2
208.08871	1.3
209.09700	1.0
215.08627	1.4
217.08414	0.9
218.07310	3.1
219.08058	7.7
220.08835	3.5
221.05995	0.9
222.06902	1.2
226.19807	4.7
229.08600	10.4
230.07265	1.5
231.08026	4.9
231.10181	1.9
232.08839	1.8
233.05936	1.6
233.09543	3.6
234.06895	1.1
235.07431	1.2
235.11258	1.1
236.08304	0.9
237.09033	1.8
245.05991	1.0
245.09703	2.4
246.06824	1.5
247.07518	10.3
247.09714	1.2
248.08266	8.2
249.05365	0.7
249.09010	2.3
250.06277	1.1
251.06989	1.2
251.10677	1.4
254.09344	1.0
258.06732	1.7
259.07541	2.4
260.08307	2.0
261.05463	1.1
261.09036	4.2
262.06094	1.0
262.09891	5.6
263.07141	1.9
263.10672	5.4
264.07910	3.2
265.08560	4.6
269.08029	0.8
273.09082	1.6
274.06461	0.7
275.07056	5.7
275.10831	0.8
276.07834	7.7
277.05551	1.3
277.08563	6.0
278.05786	1.5
279.06567	1.8
279.10165	2.6
280.10776	0.8
282.22171	0.8
287.07056	1.4
289.08380	1.4
290.06348	0.7
290.09415	4.7
291.06723	0.9
291.10129	11.6
292.07214	4.9
292.10251	1.1
293.08038	8.0
293.11163	1.0
294.08902	1.5
295.06052	1.2
295.09387	0.8
303.06665	1.6
304.07251	1.7
305.08038	2.2
305.11676	2.1
306.08749	1.7
307.06277	1.1
307.09546	8.0
308.10257	4.1
309.11191	1.9
310.08362	1.3
318.09137	1.1
319.09637	7.3
320.10114	0.8
321.07559	5.8
321.11139	1.6
322.08313	2.9
322.12018	2.9
323.05698	1.0
323.12671	5.5
325.10757	2.2
333.11331	0.9
335.09048	3.4
336.09958	4.1
337.10614	7.3
338.07883	2.5
350.11511	2.6
351.12222	12.0
351.16089	1.0
352.12875	2.7
353.10150	11.7
354.10632	1.4
368.12579	12.9
383.14890	100.0
384.15213	6.2
399.19724	4.6
433.17484	0.8
443.18610	17.4
443.25256	4.4
443.40277	2.6
443.75378	1.6
444.19592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.2
59.41338	0.7
65.02943	0.8
69.03439	0.9
70.05827	2.0
70.06204	1.3
71.08643	0.8
71.18275	0.7
78.58540	0.9
79.05487	2.4
81.07062	2.0
83.08623	0.9
84.04485	1.0
85.02912	1.7
88.11249	1.1
91.05478	1.2
93.07052	1.3
95.04964	1.2
95.08608	1.8
97.02859	0.8
98.22827	1.1
100.07618	1.2
100.11247	2.4
101.11610	1.2
102.05531	1.0
105.07023	0.9
107.04948	3.3
107.08590	1.2
109.10186	1.3
119.08588	2.3
124.05281	0.9
126.39948	0.8
129.06995	1.8
131.08575	1.9
141.06996	2.9
145.02811	1.2
145.10078	0.8
146.03223	1.3
151.72206	0.8
152.91861	0.9
157.06514	4.1
158.07263	1.7
159.08046	3.2
159.11699	1.7
165.09048	1.0
167.07010	2.5
169.06525	2.4
170.07288	1.8
170.15363	1.8
171.15710	1.4
171.34749	0.8
175.07594	1.2
177.05470	1.4
178.05795	1.0
179.06056	1.0
182.15425	1.8
183.15823	1.6
186.06738	5.2
187.07503	1.9
189.06992	1.1
191.08565	1.6
198.14934	1.3
199.15244	1.6
200.08299	3.1
201.09090	4.3
202.07784	2.3
203.08607	1.9
205.06577	2.1
207.08177	1.2
209.09642	1.2
210.14894	1.0
211.15225	1.1
215.08557	1.6
218.07256	2.2
219.08101	7.2
219.10036	1.5
220.08829	3.6
221.06024	1.1
221.09604	1.7
229.08612	12.3
230.07091	1.4
231.05298	0.9
231.08031	6.0
231.10249	2.3
232.08995	1.1
233.06084	1.7
233.09636	3.2
234.06810	1.7
234.10420	1.6
235.07477	1.3
235.11189	2.3
236.08418	1.2
237.09106	1.8
245.09668	2.6
246.06819	1.3
247.07520	10.2
247.09721	3.6
248.08305	9.4
249.09052	2.8
250.06195	1.7
258.06732	1.4
259.07547	3.9
260.08334	2.4
261.09091	3.9
262.06342	0.8
262.09821	5.2
263.07047	1.2
263.10699	6.1
264.07779	2.2
265.08578	5.1
267.10001	1.0
269.08023	1.3
273.08972	2.3
275.07059	5.9
276.07813	9.6
277.08551	4.8
278.05603	1.3
279.06531	1.4
279.10217	1.9
280.10986	1.1
282.08804	1.0
287.23627	1.0
289.08420	2.0
290.09390	5.6
291.10165	13.5
292.07303	4.8
292.10492	2.0
293.08109	9.9
294.08801	2.5
299.03476	0.9
303.06570	1.8
304.07382	2.6
305.08054	3.7
305.11624	2.4
306.08740	1.6
307.06223	1.6
307.09528	6.5
308.10474	7.6
309.11011	1.1
310.08270	1.6
311.09293	1.0
315.08508	4.3
318.08759	1.1
319.09579	8.7
320.06732	1.2
321.07513	5.3
321.11249	2.4
322.08292	2.4
322.12009	2.8
323.12717	7.4
325.10782	2.2
330.10886	2.7
335.09000	2.7
336.09760	4.8
337.10690	9.3
338.07904	2.4
350.11328	2.8
351.12259	16.3
352.13019	3.6
353.10153	11.3
368.12576	12.3
383.14905	100.0
384.15152	6.0
399.20010	4.3
425.32300	2.2
426.32077	1.2
442.34622	3.4
443.18790	17.3
443.25262	2.0
443.34451	1.3
444.93179	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2045
Annotation	Trp Thr His
Peak:m/z	Relative Intensity
51.54767	0.8
67.05491	0.9
70.89124	1.1
74.05445	0.7
81.07072	1.1
90.92580	0.8
98.98461	1.1
105.06986	1.0
107.08550	1.0
122.09195	0.7
122.27734	0.7
123.04275	0.7
129.69975	0.8
137.09608	0.9
165.09126	11.7
174.91870	0.8
278.95407	1.0
417.10141	0.9
436.44452	0.9
443.20337	100.0
443.25256	6.0
444.20718	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	443.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63694	0.7
51.60918	0.6
57.03419	0.6
69.03448	0.8
69.07066	1.2
71.04977	1.0
71.45816	0.8
72.08141	1.6
74.09722	0.6
81.07059	1.3
85.02901	1.6
86.09766	0.7
91.05470	1.2
93.07049	0.9
94.04188	0.8
98.06032	1.4
98.97550	0.7
103.05464	0.8
105.07029	1.1
107.04988	1.1
109.06520	1.3
112.61268	0.7
114.94695	0.7
115.05420	0.7
115.08694	2.4
117.06979	0.8
122.03667	2.9
125.05891	0.6
130.04182	2.6
133.06522	0.7
135.04402	0.7
137.05978	48.7
138.06290	0.8
146.03647	1.2
147.04414	3.1
151.03879	4.4
157.06532	0.7
158.03644	1.5
161.05962	4.2
162.06703	4.1
167.07120	0.6
171.04475	1.1
173.05972	3.8
177.05609	0.8
185.05945	0.8
186.03136	2.2
189.07033	2.4
191.08585	1.1
201.05467	46.4
202.05791	1.5
205.06602	3.5
206.07278	4.3
213.05499	5.8
217.06520	2.5
218.07269	2.6
219.08034	4.1
220.05252	1.0
221.09720	1.3
222.06740	1.3
223.07469	0.9
231.06297	4.2
231.08475	1.2
233.06059	3.6
234.06732	16.7
235.07466	4.9
237.09100	2.1
238.10014	0.8
244.05243	1.2
245.06024	4.1
246.06686	2.1
247.07564	4.4
248.08400	2.1
249.09149	6.5
250.06271	2.0
251.07053	2.1
254.47906	0.7
259.07574	2.7
261.05447	2.3
261.09305	1.1
262.06247	20.0
263.06970	5.4
264.07730	1.9
265.08618	4.8
266.09265	1.8
273.05423	4.7
274.06201	3.1
275.06961	2.6
276.07822	2.3
277.05417	1.2
277.08591	20.0
278.06009	1.1
278.09268	1.8
279.06558	3.2
279.10007	1.1
280.07318	0.8
282.08670	0.8
287.06995	2.6
289.04968	1.5
290.05719	31.5
291.06320	3.0
291.10037	1.2
292.07193	3.7
293.08023	5.2
294.08899	4.2
295.09607	2.8
297.07230	0.7
297.10995	1.0
303.18179	1.3
304.07263	2.6
305.08060	53.4
306.08517	4.1
307.06042	1.8
307.09647	8.3
309.11182	2.7
319.09848	3.6
321.07358	0.9
322.08377	5.3
325.10678	18.6
326.11020	0.9
337.10681	100.0
338.10986	6.1
355.11749	40.5
355.16248	1.2
356.12146	1.9
413.20721	4.3
425.20676	2.0
426.18878	2.0
443.16882	3.3
443.22314	18.1
444.22534	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17800	3.1
69.10690	20.9
69.11100	6.9
70.06597	4.1
72.08154	9.9
98.22719	10.0
107.05006	4.4
137.05980	56.6
147.04356	4.1
148.09430	3.8
161.05980	4.4
173.06015	6.1
189.11197	4.3
201.05437	50.3
213.05545	4.0
214.52306	3.3
234.06786	11.8
240.91544	4.4
245.06073	4.6
246.14160	4.5
249.09131	7.7
250.06221	4.7
262.06274	23.5
265.08478	6.0
266.09167	4.4
273.05438	5.2
277.08633	19.3
290.05664	33.7
292.07275	6.2
293.08072	6.9
297.11365	4.4
305.08075	51.2
306.08096	3.6
307.09692	19.7
319.09738	5.9
325.10687	28.7
326.10947	4.9
337.10663	100.0
338.11047	5.6
355.11740	25.4
413.20682	36.2
414.20926	4.9
443.22073	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	443.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08712	2.5
53.11203	2.9
60.88313	3.0
65.45467	3.1
80.13757	2.9
85.18636	2.9
85.98216	2.9
88.27715	3.0
89.79197	3.0
105.45049	2.9
119.08573	3.0
165.09218	3.2
175.16014	3.0
194.06219	3.2
251.32355	3.6
255.11829	3.1
287.15732	3.2
417.10818	3.5
443.24158	100.0
444.24533	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2408
Annotation	Docosyltrichlorosilane
Peak:m/z	Relative Intensity
54.31730	1.9
66.26397	1.7
67.05485	3.1
69.11348	7.0
69.11755	6.4
89.72916	1.7
91.05433	2.7
105.06985	2.5
108.77881	2.1
165.09085	2.9
182.79817	1.8
257.71884	2.0
271.16760	2.9
298.69086	2.0
309.13913	1.9
369.19101	3.7
379.55963	1.9
396.38449	2.0
443.24066	100.0
444.24710	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	443.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14898	0.8
54.35691	0.6
55.01870	1.0
55.05505	0.9
57.07076	0.8
63.02379	1.3
65.03948	3.8
67.05500	1.7
68.41135	0.8
69.07069	4.2
69.76110	2.1
69.87365	0.6
71.33859	0.7
75.02356	1.0
79.05500	3.1
81.07054	2.6
83.08624	1.0
84.08167	3.9
86.09709	35.8
89.03925	17.0
91.05470	3.8
93.07056	1.8
95.04960	1.0
95.08597	0.9
98.98478	6.8
103.12335	1.7
105.07030	3.0
107.04953	1.0
107.08592	1.8
113.23152	0.8
115.05457	43.6
117.07025	1.5
119.08600	1.8
121.10188	0.8
128.06215	5.7
129.07028	9.1
129.10223	0.7
131.08572	1.6
133.10175	0.7
141.01607	2.0
141.07018	2.7
142.07803	3.4
143.04926	100.0
143.08560	4.8
144.05223	1.7
147.76477	0.8
148.96664	0.9
155.01038	7.0
155.08554	1.9
156.09355	1.4
157.06502	1.9
157.10138	7.5
165.09142	2.0
166.07840	1.2
169.91905	0.8
171.08066	2.0
171.11694	4.4
173.13211	1.7
181.10233	0.9
183.04152	7.3
184.04350	1.5
199.11188	9.6
226.12225	1.1
228.13855	8.4
245.13963	1.4
245.16493	19.8
261.22073	1.3
284.20145	1.1
301.22693	3.4
302.21426	0.8
341.21194	0.9
443.09521	0.8
443.27051	12.1
444.27322	0.9
444.40369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2771
Annotation	Amentol
Peak:m/z	Relative Intensity
52.01902	0.7
60.52484	0.7
67.05511	0.9
69.07061	2.5
71.12327	0.8
75.65852	0.7
79.05493	1.0
81.07058	4.0
83.08609	1.3
86.09715	0.8
93.07023	0.7
95.08588	1.9
97.10104	0.6
107.08579	1.6
109.10151	1.7
109.54691	0.7
125.06000	0.9
131.08481	0.8
141.05225	58.0
142.05540	1.1
153.50934	0.7
159.11670	0.7
165.09143	3.4
177.85675	0.7
185.49060	0.7
192.15941	0.7
219.05023	0.8
257.93918	0.7
325.21402	2.9
333.17374	0.8
340.61749	0.6
435.13800	0.8
443.27679	100.0
444.27936	6.3
444.40494	1.5
446.54593	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
57.07070	1.1
67.05508	3.7
69.07076	2.5
69.57942	0.8
71.08627	0.8
73.18571	0.3
79.05511	1.4
81.07063	4.4
83.04972	0.3
83.08616	1.6
87.04470	0.8
91.05476	0.9
93.07056	1.5
95.04927	0.3
95.08602	3.4
97.10162	0.7
98.28400	0.3
98.97591	0.5
105.07034	1.7
107.08578	1.4
109.10175	2.6
111.08061	0.6
111.11730	0.6
116.98589	0.4
117.06958	0.4
119.08605	2.0
121.10168	1.3
122.07272	0.6
123.11707	0.9
125.13199	0.4
131.08582	0.3
133.10118	0.8
134.03871	0.3
135.08052	0.3
135.11681	0.4
137.09618	3.3
137.13232	0.4
139.07555	0.3
142.93872	3.9
145.10158	0.5
147.11665	0.8
149.09654	2.3
159.11700	0.3
161.09718	0.3
161.13226	0.5
163.11229	0.3
163.14642	0.3
165.09117	37.3
166.09471	0.9
174.10403	0.3
175.11153	0.7
177.09125	1.8
179.10742	0.8
185.15479	0.3
187.11166	0.8
189.09163	0.8
189.12762	0.5
190.09883	0.4
191.10695	1.3
203.10670	1.3
205.12216	3.1
232.51688	0.3
245.15387	0.3
247.04140	0.5
257.15216	0.4
291.26871	0.4
363.24829	0.8
396.21576	0.6
405.47424	0.3
413.34369	0.4
425.34082	1.3
433.74512	0.3
443.20602	19.3
443.33447	100.0
444.20880	1.9
444.33804	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	443.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01857	0.4
55.05509	4.9
57.07072	2.9
58.59665	0.2
64.45329	0.2
65.03901	0.3
67.05503	8.1
69.07068	7.2
69.16407	0.2
71.08633	1.7
76.56426	0.2
79.05487	3.0
81.07053	12.1
83.04962	0.9
83.08616	4.3
85.06541	0.4
85.10169	0.8
87.04461	0.6
91.05476	3.1
93.07040	4.5
95.04955	0.6
95.08604	10.5
97.06516	0.4
97.10162	2.4
105.04490	0.3
105.07031	3.1
107.02151	0.2
107.08592	3.9
109.06507	0.5
109.10147	8.2
111.08078	1.0
111.11707	1.2
117.06984	0.6
119.08577	4.8
121.06464	0.5
121.10152	3.2
122.07298	1.4
123.08081	0.5
123.11701	2.1
125.05988	0.4
129.06931	0.4
130.07721	0.3
131.08557	0.7
133.10138	3.0
135.08046	1.3
135.11690	2.2
137.09613	10.0
137.13257	1.0
138.09874	0.2
139.07535	0.8
142.07777	0.2
143.08559	0.4
145.10095	1.1
146.07278	0.3
147.07961	0.3
147.11691	1.6
149.09616	7.1
149.13261	0.8
150.09975	0.4
151.07532	0.8
151.14790	0.7
153.09090	0.3
156.09340	0.2
157.10143	0.4
159.08098	0.5
159.11726	0.9
160.08803	0.4
161.09584	0.8
161.13231	0.7
162.06752	0.3
163.11182	1.9
163.14775	0.4
165.09105	100.0
166.09447	2.8
169.10068	0.4
171.11713	0.5
172.08791	0.4
173.09634	1.0
173.13242	0.3
174.10402	0.6
175.07574	0.4
175.11191	1.4
176.08284	0.4
177.09087	4.2
177.12759	0.7
179.10649	2.3
179.17973	0.4
183.11673	0.3
185.09679	0.2
186.10434	0.4
187.11150	1.7
188.08350	0.3
188.11906	0.4
189.09125	2.1
189.12685	1.3
189.16370	0.4
190.09897	1.3
191.10669	2.8
191.17955	0.3
193.12292	0.3
193.19485	0.3
199.11185	0.8
201.08980	0.3
201.12692	0.7
202.09889	0.3
203.10674	5.1
203.14308	0.4
205.10283	0.5
205.12225	9.1
205.19550	0.7
206.12552	0.5
210.10469	0.2
211.14780	0.4
212.11938	0.3
213.12776	0.5
215.14302	0.4
216.11450	0.4
217.12236	0.9
217.16005	0.2
219.13770	0.4
220.91716	0.2
223.11189	0.3
224.11919	0.3
225.12738	0.2
227.10651	0.4
228.11453	0.4
229.12202	0.8
229.15871	0.3
231.13774	0.9
235.13269	0.7
241.12274	0.4
242.12889	0.3
243.13806	1.0
243.17422	0.2
245.15327	0.6
247.24275	0.4
251.14301	0.3
253.15881	0.2
255.13809	0.4
257.15320	0.8
259.16913	0.3
261.25757	0.9
269.15070	0.2
271.16843	0.4
273.25677	1.0
281.18811	0.3
291.23547	0.2
291.26697	1.2
299.20020	0.3
388.36081	0.3
397.30798	0.6
407.33041	0.4
410.31549	0.3
413.34027	1.4
415.31982	0.3
425.34174	3.2
426.34598	0.4
443.19836	0.3
443.33725	7.3
443.41846	0.4
444.34192	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90359	3.3
53.61245	3.2
69.03439	7.3
70.06602	5.7
70.16415	6.1
72.08164	10.1
73.17986	3.2
74.06084	4.7
77.83108	2.8
79.05502	3.4
79.17661	3.0
83.05009	5.3
85.02942	4.6
85.11406	2.9
91.05856	4.8
93.07086	4.4
95.04963	3.7
97.02888	3.7
98.22766	3.6
105.07064	5.5
107.08603	9.7
108.50929	3.3
109.02897	11.3
109.06531	5.9
116.24908	2.8
119.08574	6.3
121.06512	14.9
131.08614	5.7
133.10135	6.4
135.07162	2.8
135.08046	17.5
137.05997	8.7
145.10147	3.7
149.09645	6.3
157.42441	3.5
159.11751	7.2
163.07533	12.7
170.10870	4.0
173.09596	5.3
173.13239	13.2
186.10422	6.2
187.11153	31.0
191.07007	5.8
201.12759	23.8
202.05766	3.6
205.12354	9.0
211.11307	4.6
219.13853	8.4
229.12283	28.4
247.13301	100.0
248.13629	5.3
265.14325	8.1
268.05029	5.4
291.89227	3.6
359.02710	7.8
421.12695	9.8
426.23822	3.5
444.21951	3.8
445.17380	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	444.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05508	6.8
57.03462	2.6
57.07070	2.2
66.09820	1.8
67.05498	14.4
69.03435	5.0
69.07081	6.6
69.63988	8.7
71.05014	2.4
74.62002	2.3
79.05501	15.1
81.07061	29.9
83.04954	2.7
83.08640	4.6
85.02929	2.6
87.00848	2.2
91.05478	20.7
93.07043	17.4
95.04978	5.6
95.08608	19.1
96.05789	2.2
97.06520	2.0
97.10197	2.4
105.04547	2.7
105.07029	21.5
107.04966	5.8
107.08611	20.8
109.06536	2.4
109.10172	4.7
117.07037	5.6
119.04988	3.0
119.08585	43.5
120.05737	2.4
121.06538	6.5
121.10131	15.7
123.04448	9.5
123.08072	2.8
123.11771	2.6
129.07027	3.7
131.05006	2.5
131.08600	7.6
133.06540	7.2
133.10168	16.3
135.04417	4.5
135.08105	4.0
135.11685	10.8
136.05228	4.2
137.05983	11.3
137.09581	2.3
143.08537	4.7
144.09338	2.3
145.06506	3.3
145.10184	5.3
147.04485	3.4
147.08046	4.2
147.11758	7.2
149.06053	6.3
149.09650	4.1
154.08682	2.0
157.10194	4.9
159.11789	8.6
161.05992	6.1
161.09686	5.3
161.13271	19.3
163.07527	4.8
163.11230	3.6
163.48657	2.0
171.08063	2.2
171.11732	2.5
173.05954	4.9
175.02458	6.4
175.07678	2.9
177.07875	3.7
182.55768	2.2
189.05518	2.1
189.16389	30.2
190.08728	2.5
191.07095	2.8
199.07596	3.3
201.09087	3.2
203.12889	2.3
211.07625	3.9
212.08365	6.2
215.07014	3.5
217.15932	6.9
225.09200	3.4
230.09311	2.6
245.15250	2.1
246.15063	2.9
255.13754	3.3
260.16583	3.3
275.20361	2.2
283.09662	5.2
381.24509	2.1
390.33752	2.0
408.25595	9.9
409.18573	1.9
409.23672	38.0
426.26340	20.8
427.25174	8.2
444.27545	100.0
445.28070	9.1
447.00339	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	444.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30542	0.7
55.05508	3.0
57.03440	9.5
57.07077	3.3
63.04494	2.8
69.03442	2.1
69.63150	2.4
70.06597	1.9
71.04994	77.5
72.05340	0.8
72.08153	1.4
73.02924	2.8
73.04737	1.4
75.04475	4.7
83.04982	8.0
84.03294	0.8
85.02905	100.0
86.03230	1.1
86.06053	0.9
87.04488	2.2
90.50566	0.8
91.05813	1.1
97.02909	2.3
99.04464	1.8
104.95514	0.7
111.04435	7.8
119.10694	17.8
127.03936	3.3
129.05481	47.7
130.05846	1.0
133.25580	0.8
145.02850	1.0
145.04977	2.3
147.04454	0.9
147.06522	26.0
148.06952	0.9
157.72310	1.0
164.09265	2.3
167.05614	0.9
177.05507	1.9
186.88145	0.9
255.08603	3.2
265.16553	3.5
273.09692	1.3
295.54041	0.8
308.09988	1.9
309.11734	1.8
326.11005	1.3
332.64087	0.8
340.26926	0.8
359.02673	1.5
379.74536	1.1
444.21747	1.8
445.19858	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.7
55.01869	3.0
55.02851	1.2
55.05517	6.9
56.17171	1.2
57.03419	1.1
59.04979	1.2
65.03944	2.6
67.05506	14.4
67.74343	1.2
69.03423	1.4
69.07064	26.7
69.15569	1.2
70.10847	1.2
71.04985	1.4
79.05492	32.2
80.06234	1.7
81.03416	6.0
81.07057	14.5
83.04964	4.6
83.08617	1.8
85.06564	1.5
91.05476	29.8
93.07039	15.6
95.04982	10.6
95.08599	11.1
97.06515	3.9
97.10170	4.9
103.05473	1.8
105.04531	1.6
105.07006	14.0
105.88786	1.4
107.04951	36.4
107.08595	18.5
109.06519	3.5
111.01383	1.2
111.11738	1.4
115.05435	1.5
117.07026	6.5
119.04916	7.5
119.08591	7.5
121.06493	9.6
121.10144	9.4
123.04430	20.7
123.08061	1.7
129.06990	2.6
131.04915	2.6
131.08536	8.3
133.06493	8.8
133.10118	2.5
135.04411	38.2
135.08055	6.8
137.05972	56.5
139.11179	6.8
142.76236	1.4
143.08516	2.0
145.06517	3.8
145.10094	2.8
147.04391	11.7
147.06937	2.1
147.08017	8.3
149.05959	11.8
149.09618	16.6
152.07057	3.4
155.08571	1.3
157.10146	1.5
159.08078	2.9
159.11653	1.7
161.05922	2.1
161.09615	3.9
163.11183	2.0
164.07124	2.7
171.11687	1.6
173.05995	3.1
173.09677	1.3
175.07553	3.5
175.11346	1.8
176.07071	3.9
177.09164	2.4
185.09702	1.8
188.43333	1.5
199.07521	1.5
199.11179	1.7
201.05515	1.3
201.09184	1.6
203.10756	1.5
203.12750	3.8
207.13881	1.4
208.89433	1.5
211.07541	1.5
215.07141	1.9
220.82245	1.2
222.10545	1.7
225.12901	1.5
227.10628	1.7
237.14792	2.9
238.04219	1.3
243.13826	5.3
251.57085	1.7
263.16415	3.4
273.18442	6.1
275.20007	3.1
291.19522	5.6
292.20190	6.6
293.21158	6.5
313.16776	5.0
349.01355	1.3
358.17416	1.5
381.24194	1.9
382.23752	2.3
391.22595	2.0
409.23611	11.3
426.26279	9.6
427.24805	72.9
428.25308	6.4
444.27423	100.0
445.27625	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	444.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80278	1.0
55.05511	4.7
57.07990	1.0
64.96482	1.1
67.05507	8.9
69.03440	1.9
69.07069	5.9
70.59307	2.4
79.05491	13.2
81.07057	9.8
83.04993	1.5
83.08602	2.2
91.05465	15.2
93.07024	8.3
95.04960	2.6
95.08594	10.5
96.05758	1.5
103.05505	1.1
105.07034	9.9
107.04965	8.2
107.08601	7.8
109.06554	1.7
109.10178	3.8
115.05470	1.8
117.06989	5.7
119.04947	4.3
119.08598	8.5
120.05716	4.0
120.26967	1.1
121.06522	2.5
121.10159	4.2
123.04447	9.5
123.08059	1.7
128.06270	1.6
129.07004	4.0
131.04950	1.8
131.08551	6.9
133.06480	5.7
133.10126	4.2
135.04457	4.1
135.08080	4.0
135.11703	1.4
136.05215	4.4
137.05986	12.1
142.07837	1.3
143.08578	2.6
145.06538	4.2
145.10167	4.6
146.06006	2.5
147.04410	4.9
147.06812	13.5
147.08073	4.9
147.11766	2.2
149.06015	4.4
149.09647	2.6
152.07083	2.0
155.08569	1.3
157.06491	2.9
157.10172	2.5
159.08069	2.6
159.11703	3.3
161.06004	4.3
161.09627	2.4
161.13249	2.0
163.07605	3.2
163.11221	2.3
167.59225	1.2
169.10136	1.4
171.08099	1.3
173.06032	4.5
173.13315	1.2
175.07616	3.5
176.07091	3.5
177.07877	2.9
177.12801	1.2
185.05858	1.4
185.09608	1.8
187.07628	1.2
189.05417	1.3
189.16394	1.4
190.06154	1.4
191.06981	1.4
199.07671	2.1
199.11127	1.1
201.05484	1.1
201.09186	1.3
209.09702	1.2
211.07518	5.6
212.08376	4.6
213.09128	2.6
215.07149	1.6
215.10727	2.4
225.09148	4.7
227.10748	1.6
229.08752	1.3
231.06529	1.5
241.12358	1.8
247.09261	2.0
260.10211	1.8
273.18613	1.9
283.09781	7.2
297.11426	1.3
313.16721	23.0
331.17856	7.7
339.18524	3.2
340.16779	3.2
377.64441	1.1
382.23669	14.1
391.22800	3.3
400.24765	3.1
408.25308	15.3
409.23724	46.4
410.24301	2.9
426.26437	31.8
427.25342	4.2
444.27539	100.0
445.27686	10.1
457.98352	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2748
Annotation	(+)-N-Deoxymilitarinone A
Peak:m/z	Relative Intensity
55.01868	1.5
55.05508	4.1
56.33010	0.8
64.03147	0.6
65.03938	1.0
67.05507	8.6
69.03449	1.0
69.07058	5.3
69.83334	1.3
71.04993	1.6
77.03926	0.9
79.05495	9.5
81.03401	0.9
81.07051	8.4
83.08636	1.2
91.05470	11.0
93.07048	8.2
95.04976	2.9
95.08617	7.7
97.10166	1.2
103.05467	1.4
105.07029	8.6
107.04972	4.8
107.08601	6.4
108.05750	0.9
109.06509	2.3
109.10160	2.9
115.05476	1.5
117.07035	4.1
119.04957	2.5
119.08588	7.0
120.05740	2.0
121.06502	4.1
121.10146	3.6
122.67588	0.7
123.04426	10.2
123.08112	1.1
129.07019	2.6
131.04941	2.2
131.08577	4.2
133.06480	4.8
133.10110	3.6
135.04439	1.8
135.08072	2.7
135.11681	2.1
136.05190	2.1
137.05977	12.2
141.06999	0.8
143.08582	2.3
145.06471	4.0
145.10129	4.4
147.04434	2.4
147.06799	5.6
147.08061	4.9
147.11703	2.2
149.05975	6.8
149.09639	3.0
152.07042	1.1
153.07027	0.9
154.08623	1.4
155.08528	0.9
157.06476	1.5
157.10104	1.7
159.04439	0.8
159.08099	1.3
159.11717	1.9
161.05997	5.0
161.09668	3.8
161.13303	1.5
163.07538	3.7
163.11203	2.2
165.05501	0.9
165.07065	1.1
165.09045	0.7
169.10210	1.0
171.08086	1.0
171.11710	1.5
172.08839	0.9
173.06021	4.3
173.13220	1.1
175.07568	2.6
175.11205	1.3
176.07066	0.9
177.07869	1.6
177.09180	1.0
185.13289	1.0
187.07584	3.0
187.11192	1.0
189.05521	1.0
191.07043	1.6
195.07953	0.9
197.09595	1.5
199.07579	1.3
201.09149	1.3
211.07579	2.7
212.08290	2.5
213.09103	1.8
215.07072	1.1
217.15839	0.9
218.08212	1.3
225.09148	2.0
227.10718	1.2
229.08528	0.8
241.12111	0.9
243.13940	0.9
255.14032	0.9
267.13770	1.5
273.18524	3.4
283.09610	1.4
295.16367	0.8
313.16696	12.3
314.16760	1.1
331.17865	4.3
339.15845	1.4
340.16635	1.5
363.23236	1.5
381.24200	2.1
382.23651	6.4
391.22433	1.5
400.24811	1.6
408.25366	3.9
409.23734	24.5
410.23978	1.4
426.26239	8.8
427.24854	6.1
444.27478	100.0
445.27960	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	445.182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01868	2.0
57.03437	42.9
58.02940	1.6
59.04997	1.2
61.02923	15.6
69.03062	2.0
69.03429	34.4
70.06586	2.0
71.01345	4.5
71.04996	1.5
72.08149	4.6
73.02917	100.0
73.04742	5.8
79.05489	1.2
81.03391	3.8
85.02904	65.4
86.09695	3.1
87.04455	2.9
91.03964	3.4
91.05814	8.3
95.04965	1.8
96.04453	1.3
97.02894	54.8
99.04425	2.6
107.04951	4.1
109.02879	5.4
115.03928	66.1
119.08543	1.4
127.03908	19.3
132.06551	3.0
133.04977	16.5
133.10143	1.4
134.06018	2.4
135.06790	8.7
135.07826	1.7
145.04955	39.7
149.04503	1.1
150.07637	10.3
152.07063	29.4
159.46320	1.0
163.06003	14.9
167.05504	5.2
175.07629	1.2
176.06989	5.7
177.05499	1.2
180.08655	1.3
191.07277	1.0
193.04967	1.4
223.05997	7.0
225.04176	2.7
241.07040	5.8
247.13216	3.8
247.47768	1.1
259.08099	7.4
265.14316	8.1
266.10269	1.1
284.09045	1.6
295.10339	7.4
296.11182	3.3
313.13736	2.9
341.02234	1.2
359.02930	6.8
429.08624	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31096	1.8
55.01873	13.8
55.05512	4.9
55.91158	1.6
57.03436	17.7
61.76368	1.8
64.45548	1.8
64.82113	1.7
67.05505	2.0
69.03424	13.1
69.07059	2.0
69.63636	6.2
73.02911	5.9
81.07021	1.9
87.04462	6.1
93.07092	1.7
95.08598	5.9
97.06536	3.5
109.10171	1.8
111.08067	7.7
116.04704	12.4
119.08598	5.4
125.23289	1.7
129.05479	66.8
129.09108	3.0
143.07028	23.7
157.08594	3.3
171.10175	13.3
185.11731	59.6
199.13351	4.7
215.12779	9.4
227.16383	3.8
228.17238	17.0
229.14351	2.1
241.06734	1.8
258.18219	13.0
304.17560	100.0
305.18036	2.6
359.03101	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	445.2073
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
50.72990	0.8
55.05503	1.8
56.25755	0.8
57.03434	1.1
67.05511	5.8
69.03439	6.5
69.31319	4.4
70.06585	3.8
70.48679	0.8
71.04994	2.6
72.08147	3.0
73.04760	4.4
79.05485	5.2
81.07058	4.1
83.04988	3.4
85.02898	4.3
86.09723	2.5
91.05444	5.7
91.05845	4.3
93.03411	1.3
93.07049	8.2
95.04974	10.8
95.08611	3.3
97.02880	1.2
97.06544	1.3
97.36144	0.9
99.04464	2.2
105.07037	12.1
107.08630	4.6
109.02746	1.0
109.06507	8.7
109.10158	1.6
111.04443	8.9
111.08119	1.5
113.06010	2.6
115.05408	1.7
117.07043	3.3
119.08585	17.5
121.02870	2.5
121.06506	9.7
121.10136	4.1
123.04426	1.6
123.08076	6.4
127.03979	1.1
128.06268	1.1
129.00778	0.9
129.07008	3.8
130.07779	1.7
131.08574	7.8
133.06490	2.1
133.10141	5.2
135.04430	1.5
135.08063	18.7
137.05984	4.3
137.09605	2.3
139.03894	1.5
139.07553	2.1
142.07774	1.9
143.08580	1.7
144.09390	1.9
145.06487	2.0
145.10146	7.3
147.08051	8.3
147.11697	3.4
149.04530	1.2
149.05951	1.2
149.09657	2.6
155.08600	2.5
156.09384	2.9
157.10138	5.9
158.07286	4.6
159.08055	8.5
159.11690	9.0
161.09647	10.7
163.03941	1.3
165.09146	7.0
167.05589	3.2
168.09303	1.3
169.10036	0.9
171.08002	1.0
171.11673	3.3
172.08821	5.3
173.09618	4.1
173.13254	4.7
175.07539	14.4
175.11159	7.5
183.11676	3.2
185.09557	1.7
186.10451	1.3
187.07571	1.1
187.11195	11.0
189.09116	3.1
189.12743	2.9
193.08665	4.4
196.08820	2.0
199.11206	5.0
201.12730	9.2
203.10658	13.1
205.12334	2.5
211.11206	6.9
217.12292	6.4
219.13747	2.2
225.04263	2.2
225.08760	1.1
229.12227	8.4
235.13336	3.5
247.13300	34.5
248.13684	1.8
265.14355	100.0
266.14816	5.3
266.17303	0.9
359.02798	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	445.233
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15631	0.6
55.05513	23.4
57.03442	8.9
57.06823	0.6
57.07077	10.5
58.59682	0.7
59.74438	0.5
65.05327	0.6
67.05507	5.0
69.07069	27.5
69.41590	2.3
71.05014	0.6
71.08633	5.3
79.05483	3.0
81.07054	6.7
83.04968	1.2
83.08622	23.5
85.10197	2.7
93.07058	3.4
95.08599	4.3
97.06523	1.7
97.09513	0.7
97.10165	13.9
98.98481	4.4
99.42017	0.6
107.08590	1.6
109.10188	1.4
111.08079	0.9
111.11719	2.5
121.10136	2.5
123.11701	1.3
125.13249	0.8
134.98184	100.0
135.11682	2.2
135.98561	0.5
149.13255	1.2
152.99286	0.8
155.01016	2.9
165.09117	5.7
166.09477	3.6
167.09724	0.8
172.80096	0.5
176.00882	2.2
183.04201	4.2
194.82611	0.5
209.01834	1.1
269.03650	0.6
271.73056	0.5
311.25790	28.4
312.26282	1.3
333.24005	9.6
334.24454	0.7
351.25095	1.4
445.23303	65.3
445.28482	2.7
446.23767	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	445.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
53.25587	0.6
55.05513	21.6
56.05858	0.8
56.60816	0.6
57.03437	9.6
57.07077	11.5
62.95296	0.5
67.05499	4.1
69.07069	26.6
70.75922	0.9
71.08628	5.1
79.05473	2.9
81.07063	5.5
83.04927	0.6
83.08620	20.4
85.10161	2.3
91.05483	1.0
93.07053	3.4
95.08598	2.9
95.46197	0.6
97.06515	1.1
97.09581	1.1
97.10165	12.3
98.98479	3.4
107.08607	2.2
109.10147	1.5
111.08078	1.1
111.11726	3.8
121.10148	2.5
123.11777	0.8
125.13264	0.9
128.75145	0.6
130.55182	0.6
134.98186	100.0
135.11690	1.9
143.06787	0.8
149.13371	0.9
152.99275	1.5
155.01056	2.8
176.00830	1.7
183.04169	4.0
311.25803	29.1
312.26181	2.5
333.24011	10.4
333.27841	0.8
353.32941	0.7
409.35144	0.6
445.23361	60.1
446.23901	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99595	1.1
60.82173	1.2
67.36147	1.1
72.08168	2.4
73.04755	4.3
75.77406	1.1
78.48701	1.2
83.88547	1.1
84.08154	1.3
86.09718	4.4
91.05479	6.3
91.05853	4.6
107.04942	1.3
117.03399	6.5
119.04949	26.9
136.76675	1.0
145.02843	14.5
147.04411	100.0
148.04805	2.6
148.34918	1.4
149.05974	1.6
149.25729	1.2
151.03944	2.6
167.05550	3.3
175.03929	1.3
177.05482	18.3
178.05940	1.4
179.07054	2.0
188.15517	1.1
197.08092	5.3
197.38863	1.2
199.68797	1.4
228.16093	1.0
249.16077	2.4
253.10011	2.2
253.38448	1.4
301.11987	6.3
325.10767	1.6
343.11792	26.7
344.12057	1.2
359.02875	7.0
383.16226	3.7
445.16150	36.0
445.23303	15.0
446.16693	2.7
446.22861	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67970	6.2
55.05503	16.0
57.07062	10.2
59.45868	6.6
60.27874	5.4
68.56083	4.8
69.07071	29.8
69.56516	18.1
72.66393	5.3
76.42930	5.3
81.07063	11.5
83.08615	21.1
91.05482	8.8
91.24802	5.1
93.07043	8.0
95.08595	16.1
96.69589	5.3
97.10176	9.7
107.05796	5.9
109.10149	7.4
111.11745	6.9
118.64951	5.7
119.08580	12.6
121.10178	8.2
123.11673	6.5
125.05621	5.4
135.07999	7.6
137.09657	7.0
149.09615	18.9
150.84975	5.5
159.34525	5.8
165.09109	100.0
175.11174	7.0
185.37061	5.3
189.09239	7.3
191.10725	11.3
196.69583	5.1
203.10632	6.9
205.12271	18.6
219.13855	6.6
231.13899	8.3
255.09442	5.7
267.77795	5.6
356.85422	5.4
427.35626	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	446.166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.2
55.01866	11.9
55.05484	8.2
59.04993	6.0
61.02915	7.6
67.05505	8.4
69.03430	47.8
70.06582	9.0
73.02913	21.4
79.05486	5.4
81.03426	35.0
81.07055	11.5
83.04975	7.1
85.02905	100.0
86.09730	8.6
87.00823	29.2
87.04445	7.4
89.06025	48.1
91.05486	19.7
93.07008	11.0
97.02914	41.7
98.22719	19.9
99.04471	14.9
103.15475	5.6
105.01877	35.5
105.07032	7.3
109.02894	44.8
117.77435	6.0
119.04878	8.4
119.08620	8.7
121.06519	52.9
126.05502	6.7
127.03925	82.0
129.01825	6.4
131.08607	6.0
133.08559	29.7
133.10129	6.7
145.04967	34.5
145.10112	5.8
147.02953	6.7
147.04344	7.4
149.06027	14.3
156.22580	6.0
157.10159	10.1
159.02850	28.4
165.07001	6.6
175.07405	8.7
177.11221	20.3
181.08597	89.3
203.14348	8.0
205.08578	8.2
213.12753	25.0
231.04953	12.6
231.13800	44.9
249.14854	9.3
267.15894	8.9
442.24829	6.7
446.15781	11.4
446.23077	27.8
447.18130	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	446.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64117	2.0
51.32546	1.8
67.05479	2.6
69.03426	28.9
69.07069	2.1
71.45916	1.9
73.02929	4.0
79.05484	4.7
81.03418	3.0
81.07050	3.6
81.85957	1.8
85.02907	7.1
86.09718	5.0
87.00813	2.5
87.04471	3.1
91.05478	6.3
93.07056	5.0
93.65211	2.0
95.04939	2.5
95.08625	3.2
97.02897	2.9
99.04411	2.1
105.07032	10.5
107.04942	3.9
107.08546	2.5
117.07027	2.5
119.08576	8.0
121.06504	2.2
121.10098	1.9
123.04402	1.8
127.03931	3.9
131.08543	4.6
133.10139	10.4
135.08076	4.2
142.07770	2.6
143.08499	9.2
145.04980	2.2
145.10112	8.8
147.08051	4.5
153.07106	2.1
155.40825	1.9
156.09323	3.0
157.10109	11.6
161.09682	3.1
165.07043	8.7
169.10060	2.5
170.10930	7.2
171.07961	3.4
171.11734	5.5
175.07503	14.1
180.09317	13.2
181.08594	4.8
183.08095	4.6
185.13239	11.8
193.08220	2.1
195.11713	28.4
198.10399	11.2
213.12737	72.1
231.13800	100.0
232.14178	4.8
249.14810	2.2
278.55920	1.9
290.19449	1.9
303.04987	22.6
312.91574	2.2
365.84109	2.6
446.31992	2.6
446.71597	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	446.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.1
55.05514	1.6
57.07067	1.0
60.57113	1.1
67.05495	4.0
69.03429	26.3
69.07069	1.1
69.68520	2.9
73.02905	1.6
78.73859	0.8
79.01745	0.9
79.05489	4.5
81.03436	1.3
81.07046	5.5
83.04972	3.5
85.02916	9.0
85.06570	0.9
86.09730	1.3
86.20853	1.0
87.04471	2.6
91.05470	5.8
93.07054	5.8
95.04966	10.4
95.08604	2.6
97.02895	3.6
97.06545	1.6
98.22717	1.7
99.04414	0.9
105.07036	10.3
107.04941	2.1
107.08595	6.3
109.02884	1.0
109.06520	48.1
109.10171	2.6
111.04433	7.4
113.05966	0.9
117.07028	2.6
119.08578	18.4
121.06498	8.2
121.10123	4.4
121.71030	0.9
123.08064	6.8
123.11701	2.2
125.05999	1.7
125.09621	1.2
127.03921	1.4
128.06207	1.7
129.06993	3.7
130.07809	1.4
131.08577	3.4
133.06467	5.3
133.10124	8.2
135.08022	2.4
135.11714	2.5
137.09622	1.4
139.11208	2.0
142.07788	3.0
143.08568	6.8
144.09331	1.8
145.05035	1.1
145.10123	13.2
147.08051	13.8
147.11652	1.2
149.05992	2.1
149.09636	1.6
151.07538	2.1
151.11072	0.9
152.83604	0.8
155.08592	3.0
155.10663	2.0
156.09312	4.8
157.06493	1.2
157.10158	7.1
158.07256	1.5
159.08040	1.0
159.11703	5.2
161.09592	2.4
161.13284	3.0
163.11226	1.7
165.07008	6.7
165.09103	4.9
167.08592	1.3
167.10764	1.0
169.10120	1.3
170.10901	8.7
171.08075	5.9
171.11688	7.0
172.08842	2.2
173.09605	11.0
175.07549	24.9
175.14905	1.2
179.08510	1.0
180.09311	10.2
183.08052	2.7
185.09604	2.3
185.13235	12.5
186.13634	1.1
187.11169	5.4
189.09143	0.9
189.12703	7.0
191.10649	15.7
192.11049	0.9
193.08606	18.6
195.11693	22.4
195.13457	1.3
198.10406	11.1
203.14328	4.3
205.12231	3.1
209.97705	1.1
213.12744	94.3
214.13110	4.6
221.15440	1.2
231.13802	100.0
232.14200	4.8
242.21092	1.0
249.14851	33.1
250.15231	1.4
267.15961	4.0
302.66513	1.0
303.05005	7.8
447.16370	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	446.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83342	0.6
59.04999	5.8
60.05650	3.8
67.05509	0.7
69.03425	0.9
72.08148	0.7
73.04755	0.9
76.44405	0.5
77.06081	1.1
80.18799	0.6
82.18807	0.6
86.09719	0.7
87.04469	29.9
88.65313	0.6
89.06031	66.3
90.06380	1.1
91.05780	1.0
95.28345	0.5
101.17342	0.6
103.03944	100.0
103.07559	2.8
104.04291	1.2
107.07063	2.3
119.07064	1.9
121.08621	2.2
131.07056	9.6
133.08607	39.9
134.08945	0.7
147.06519	10.8
163.09648	2.6
175.09676	5.0
177.11224	15.5
191.09119	7.1
207.12376	3.5
219.12328	1.4
221.13843	3.0
235.11758	7.9
239.14836	1.2
251.14789	0.8
265.16541	0.8
279.14462	1.4
283.17499	0.7
295.17453	1.4
297.19052	0.8
323.16879	1.7
327.20007	1.1
335.59393	0.6
341.18243	0.8
371.65942	0.8
383.22910	2.4
385.20602	1.2
402.18161	1.2
411.22281	1.8
429.23352	16.8
430.23785	1.3
446.18027	0.9
446.25790	0.8
447.12344	0.8
447.18024	0.8
465.49304	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.4
57.07084	2.2
59.43134	1.9
60.08210	1.7
61.02906	2.5
67.05502	4.4
69.01586	1.7
69.03432	4.7
69.07065	10.6
69.49243	9.3
71.05000	2.3
79.05489	18.9
81.03409	3.8
81.07052	26.7
83.08625	4.1
84.25935	2.1
85.02909	20.9
91.05460	4.7
93.07047	9.2
95.08587	11.6
97.02885	4.6
97.06525	6.5
97.62206	2.0
105.07029	9.3
107.04950	3.4
107.08595	13.3
109.10133	6.6
114.49928	1.9
119.08569	10.8
121.10159	11.1
123.11678	4.3
125.05996	70.8
127.03916	5.8
131.08554	2.4
133.10136	8.4
135.11703	8.1
137.05978	8.4
139.07558	3.8
145.04990	3.9
145.10133	3.9
147.11674	11.0
149.13260	3.4
151.07529	3.2
159.11610	2.6
161.09627	5.1
161.13289	5.4
165.08992	2.0
175.14885	3.4
177.16354	21.5
179.10606	2.9
201.35736	2.0
203.14282	10.5
203.17928	8.3
213.16443	2.3
221.15543	11.6
221.19011	18.3
231.17421	6.4
249.18486	100.0
250.18863	5.4
252.01778	2.0
267.19550	41.7
393.22583	2.2
411.23764	27.0
411.67303	2.2
412.23843	4.0
429.24622	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	446.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.9
55.05510	5.5
57.07063	2.0
58.87417	1.9
61.02920	3.6
67.05500	8.1
69.03441	14.0
69.07072	10.6
70.58205	2.4
71.04997	2.5
79.05497	6.4
81.03406	5.1
81.07063	13.2
83.08634	4.5
84.04494	4.8
85.02911	21.7
88.37691	1.8
91.05453	13.2
93.07063	14.1
95.04975	3.2
95.08620	26.5
97.02896	9.2
99.04432	2.8
100.11280	2.0
105.07027	29.6
107.08598	14.0
109.02886	4.2
109.06516	6.7
109.10175	15.2
117.07035	3.4
119.08579	26.6
121.06491	5.5
121.10141	9.1
123.11736	5.5
126.05527	5.7
127.03908	6.4
131.08585	8.1
133.10123	24.1
135.08026	2.8
135.11723	3.6
137.05977	14.5
137.09592	2.3
138.05510	5.0
143.08572	6.2
145.10144	8.9
147.11676	14.6
149.09601	2.7
154.08620	2.6
157.10132	8.5
159.11688	6.1
161.09599	4.1
161.13260	8.5
163.11230	3.0
163.14789	5.0
171.11700	5.9
173.13213	14.1
175.07578	2.0
175.11203	5.0
177.07896	15.5
178.63347	2.0
187.14835	9.1
189.16376	21.8
190.16600	2.0
205.15868	5.0
213.16444	10.0
215.17950	3.8
231.17444	100.0
232.17819	2.8
233.19023	8.8
246.14917	8.0
249.18494	18.0
257.30756	2.2
301.89236	2.3
323.24820	2.0
332.12433	2.3
374.12726	2.1
411.23599	10.3
430.08463	2.4
446.29242	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.01873	2.9
55.05519	7.8
56.96547	2.2
57.07069	2.5
62.98269	1.6
65.03937	2.4
67.05501	15.6
69.07059	10.2
69.48725	5.9
71.08629	9.5
79.05502	14.0
81.03426	6.7
81.07053	9.9
83.04999	2.2
83.86628	1.7
86.99111	1.4
91.05475	18.5
93.07040	9.9
93.89050	1.7
94.07781	1.6
95.04979	21.9
95.08607	8.5
97.06516	4.3
97.10152	2.6
99.08118	4.0
105.07035	4.1
107.04954	23.9
107.08589	4.8
109.06523	2.2
109.10175	4.5
117.07058	2.0
119.04938	5.0
119.08598	3.1
121.06511	5.4
121.10118	7.7
123.04424	21.5
131.05048	1.4
131.08636	3.0
133.06506	4.6
133.10143	3.4
135.04410	54.7
135.08092	2.5
137.05978	37.7
139.11243	1.6
141.09180	1.5
142.80219	1.5
145.06477	1.6
145.10074	1.6
147.04398	9.3
147.08075	4.5
147.11708	2.8
149.06004	2.5
149.09592	2.6
151.11179	37.7
152.07094	3.5
152.11868	1.6
157.06499	1.9
161.05986	1.9
161.09512	1.5
164.07077	4.1
165.12758	6.2
175.07542	3.2
177.12781	2.7
187.07587	1.8
237.14934	3.1
245.15421	2.3
260.10962	1.5
262.09811	1.6
275.20071	3.3
277.21683	5.2
285.14972	1.8
293.21106	5.0
295.22662	9.3
331.15796	3.5
349.16891	11.7
367.18130	2.4
383.25836	3.4
387.12323	1.7
411.25397	7.5
428.27795	6.7
429.26364	80.2
430.26831	4.1
446.29016	100.0
447.29514	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	446.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99122	0.8
53.03944	0.8
55.01867	3.2
55.05257	1.5
55.05514	26.1
65.03942	1.8
67.05508	16.1
69.03436	2.5
69.07074	8.4
70.63317	1.7
71.04995	1.5
76.51501	0.7
77.03958	0.9
79.05499	20.8
81.03419	1.0
81.07063	19.6
83.04989	2.4
83.08629	13.9
85.06559	1.8
91.05481	36.2
93.07050	14.1
95.04972	5.0
95.08610	8.9
97.10175	25.9
101.09620	0.9
103.05498	1.2
105.07033	15.5
107.04979	2.7
107.08600	19.8
109.06520	3.2
109.10191	4.3
115.05475	1.5
117.07020	4.4
119.04942	12.8
119.08574	10.8
120.09057	0.8
121.06503	3.7
121.10138	4.1
123.04436	10.0
123.08064	1.2
123.11720	2.5
125.09636	20.2
125.10510	1.7
129.06999	2.0
131.04916	1.7
131.08568	4.1
133.06485	2.3
133.10135	6.8
134.03641	1.0
135.04431	7.1
135.08078	2.3
135.11690	2.6
137.05984	100.0
138.06230	1.3
141.06967	1.0
143.08571	2.3
143.10703	1.0
145.06471	3.1
145.10120	2.6
147.04411	7.1
147.08083	1.7
147.11700	3.6
149.05977	4.1
149.09636	1.4
152.07040	1.0
154.08635	16.9
155.08763	0.9
157.06497	1.4
157.10092	2.2
159.08098	1.5
159.11710	2.4
160.05164	1.6
161.06003	5.3
161.13260	1.5
163.07523	1.5
164.07072	54.6
165.07301	1.6
169.10216	1.1
171.08072	1.9
171.10263	1.6
171.11629	1.5
173.06006	6.3
173.13225	2.0
174.06821	1.2
175.07549	2.6
175.14703	0.9
176.07004	1.0
177.07846	1.3
183.08102	1.0
185.05870	1.0
185.09477	1.3
187.07521	1.7
189.11232	18.5
189.12836	1.8
190.08627	9.7
190.11572	0.9
195.07996	1.4
197.09583	1.1
197.13246	1.0
199.07585	3.8
201.09093	2.0
202.09923	1.2
203.10783	1.1
209.09656	1.2
211.07565	1.0
213.09018	1.7
215.10687	3.8
222.76476	0.9
225.09102	0.8
227.10756	1.4
229.12306	5.5
232.13330	45.7
233.13690	2.3
241.12230	3.8
243.13927	1.7
248.16446	7.4
255.13666	1.1
257.15384	1.5
257.19070	1.5
260.16443	2.7
269.15375	1.2
274.17975	3.0
275.20096	11.1
276.20660	1.3
293.21204	0.9
295.16861	1.1
306.16946	1.8
319.08279	1.0
362.16885	1.1
365.24753	1.3
375.23526	1.0
378.07001	0.9
381.24188	1.1
393.24011	4.1
411.25317	18.6
412.25568	1.1
428.28000	9.4
446.22742	1.3
446.28925	22.3
447.29169	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	1.3
55.01868	2.8
55.05519	14.2
57.07071	1.5
62.64023	1.0
63.34748	1.2
65.03944	1.3
67.05509	14.9
69.07062	6.6
71.05022	1.5
71.46320	1.4
79.05499	14.5
81.03430	1.8
81.07059	13.5
82.99707	1.4
83.04997	2.1
83.08624	4.1
85.02892	1.9
85.06551	1.8
91.05480	17.2
93.07050	13.1
95.04971	4.9
95.08623	8.4
97.06531	2.1
97.10212	4.5
103.05511	1.4
105.04510	1.8
105.07033	9.0
107.04956	7.6
107.08575	8.8
109.06547	3.3
109.10190	4.8
115.05486	1.8
117.07022	4.2
119.04970	4.2
119.08583	7.9
119.43889	1.3
120.05805	1.4
120.08125	1.2
121.06504	20.8
121.09332	1.2
121.10159	5.0
123.04425	8.8
125.09681	3.0
129.07034	1.9
131.04965	1.5
131.08604	4.4
133.06541	5.2
133.10139	4.3
135.04408	5.8
135.08063	2.6
135.11725	1.9
135.30263	1.1
136.05191	1.1
137.05981	22.6
143.08508	1.5
145.06529	2.4
145.10159	4.0
147.04459	6.3
147.08069	3.1
147.11710	2.0
149.06015	4.8
154.08646	2.7
157.06587	2.8
157.10110	2.5
158.27794	1.4
159.08058	1.4
159.11755	3.5
161.06009	4.7
161.13300	2.3
163.07590	3.7
163.11168	2.2
164.07109	9.7
165.05399	1.3
171.08151	1.2
173.06038	4.4
173.13326	1.7
175.07584	4.8
177.09019	1.5
179.28009	1.2
183.08173	1.3
183.11696	1.3
187.07611	1.4
189.11276	2.5
189.16501	1.5
190.08698	2.9
191.14403	2.2
197.09662	1.2
199.07562	2.7
201.12703	1.4
211.07671	1.4
213.09279	1.8
232.13347	9.1
237.24933	1.4
238.65440	1.3
240.13974	1.2
247.20518	1.4
257.15472	2.3
257.48776	1.2
269.15317	2.1
275.20096	3.8
293.21429	1.9
295.16635	1.6
307.14023	1.4
341.17612	1.7
344.73532	1.4
354.24069	2.7
365.24908	1.3
383.25790	4.2
392.26016	1.5
393.24210	2.9
405.40784	1.4
410.26913	20.1
411.25317	66.2
412.25656	5.9
428.27942	29.0
429.26511	4.1
446.29092	100.0
447.20248	1.5
447.29565	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	446.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.3
55.77857	0.6
57.03439	4.9
57.07076	8.6
58.06599	38.1
59.07384	10.6
60.08162	10.6
64.00675	0.6
67.05520	3.4
67.05799	1.0
69.07037	2.1
71.08643	5.9
73.02910	0.9
75.04467	2.8
81.07067	2.9
83.08572	1.1
85.02879	1.6
85.10160	2.3
87.04478	3.6
87.55827	0.6
95.08609	3.7
97.10137	1.2
98.23454	1.3
102.07527	0.6
105.05510	0.8
109.10140	1.6
113.05959	1.0
119.08553	2.5
131.07028	1.7
135.07973	0.7
144.10176	9.7
162.11229	1.9
200.12828	0.6
218.13919	1.7
236.14920	96.5
237.15253	2.1
285.24219	2.0
350.40073	0.7
384.34744	1.1
428.33737	20.7
429.34033	1.9
446.34769	100.0
447.11057	0.7
447.25165	1.0
447.35117	9.0
473.41183	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.5
55.05491	0.9
57.03438	7.0
57.07085	3.7
58.06600	29.0
59.07385	9.2
60.08166	8.5
60.10612	0.3
64.55463	0.4
67.05501	2.0
69.07037	1.8
69.68570	1.5
70.06599	0.5
71.08630	2.8
75.04489	3.5
79.05476	0.6
81.07053	2.0
83.08623	0.5
85.02906	2.8
85.10161	1.1
87.04472	4.5
95.08636	2.1
97.10100	0.5
103.03932	0.8
105.05469	1.2
108.67319	0.4
109.10110	0.6
113.05978	0.8
119.08566	2.1
131.07114	1.8
131.07996	0.4
144.10201	7.9
159.06532	0.4
161.77934	0.4
162.11241	4.8
175.28587	0.4
181.11664	0.5
213.91173	0.4
218.13905	1.1
236.14920	100.0
237.15297	3.2
384.34857	0.9
428.33704	22.4
429.33954	1.5
446.34769	71.9
447.35242	4.8
473.91953	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.9345
Annotation	Unknow
Peak:m/z	Relative Intensity
60.17670	0.8
65.35497	0.8
69.28956	4.4
71.68142	0.8
73.49700	0.9
78.95634	7.9
87.04473	1.1
94.93024	33.4
96.92833	1.1
104.07122	3.1
104.99297	0.9
161.94812	1.7
171.91479	0.8
202.94823	11.3
203.05293	1.3
212.85165	1.1
228.92776	100.0
246.92683	2.4
250.93582	1.5
272.91748	66.9
273.92087	1.1
284.89368	2.2
286.89200	5.8
290.91422	5.0
296.07681	1.0
308.92667	4.7
312.87210	4.6
314.87210	1.0
347.81619	1.0
358.83600	0.8
365.10568	4.1
384.92188	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1631
Annotation	Gefitinib
Peak:m/z	Relative Intensity
70.06593	1.1
73.04731	0.8
73.12555	0.8
81.03405	1.3
84.75887	0.8
85.02880	0.9
86.09718	0.9
110.47701	0.8
119.08573	0.8
147.04485	1.1
148.04912	0.8
149.02391	1.4
153.05409	0.9
154.02611	4.0
161.05956	3.1
163.72519	0.8
168.77113	0.8
169.04955	7.3
170.05801	1.1
177.05411	0.9
181.20760	0.9
193.08379	2.5
207.09962	2.7
223.09485	1.2
246.04926	4.0
271.06223	1.1
276.19290	0.9
283.19296	0.9
309.31155	1.0
329.10294	5.6
400.17557	1.5
429.20255	1.7
447.16263	100.0
447.29150	5.4
448.16687	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64603	0.2
65.60835	0.2
66.74487	0.2
67.05495	0.6
69.48199	1.1
73.02411	0.2
75.10625	0.2
79.05475	0.4
79.96410	0.2
81.07035	0.3
82.99320	0.6
93.07043	0.3
95.08572	0.3
105.07073	0.3
107.08634	0.5
109.10126	0.4
112.17991	0.2
119.08591	1.7
120.08942	0.8
127.08193	0.2
135.08028	0.3
144.99306	100.0
145.99629	0.9
172.84702	0.3
186.01942	0.7
197.24100	0.3
325.21313	0.5
447.21774	17.0
448.22104	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2207
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
55.05504	1.6
67.05492	0.8
69.03425	1.0
81.03407	1.3
81.07053	0.9
83.05000	0.8
83.08637	1.0
85.02911	3.0
87.00883	0.6
91.05418	0.7
93.07028	0.7
94.96847	0.6
95.08631	1.0
97.02893	0.8
99.27279	0.6
100.11247	1.9
105.07034	1.1
107.08590	1.3
109.02856	0.9
110.53780	0.6
112.56394	0.6
114.09170	1.0
119.08539	0.9
121.06479	1.1
121.10137	0.8
127.03941	1.2
128.04269	1.0
143.08543	0.7
145.04971	0.8
149.02396	0.8
164.91983	0.6
182.09068	0.8
199.62639	0.6
203.14330	0.9
210.14966	0.9
350.49472	0.7
430.35782	0.8
447.22018	100.0
448.22357	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	447.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27450	0.9
53.03952	1.2
55.05513	9.1
57.03440	12.1
57.07076	2.1
65.03942	1.8
67.05505	48.5
69.07074	8.8
70.96893	1.2
77.03911	1.4
79.05497	20.0
81.03426	1.1
81.07059	45.8
83.04984	1.2
83.08618	3.8
91.05479	13.7
93.07049	32.0
94.11167	1.0
95.04982	2.2
95.08611	38.3
97.06518	2.1
97.10188	1.7
105.04481	1.4
105.07038	9.2
107.08592	17.1
109.06540	1.5
109.10155	16.5
113.00021	75.8
117.07037	2.9
119.08601	9.0
121.10139	12.5
123.11684	7.4
125.09660	1.1
129.05489	0.9
131.08609	5.0
133.10139	5.1
135.11674	11.3
136.56969	0.9
136.99904	1.0
137.13274	1.8
145.10123	5.2
146.02141	3.0
147.11693	3.5
149.13249	5.9
159.11751	3.3
161.13248	3.3
163.14854	3.4
169.02634	16.7
173.13275	4.3
175.14786	1.7
177.16389	2.0
187.03673	7.6
187.14809	1.6
214.71384	0.9
243.21040	6.5
248.06172	1.0
261.22147	13.4
279.23352	1.5
311.25879	1.1
317.24756	4.2
335.25809	100.0
336.26123	7.3
398.48233	1.0
447.25137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
54.03679	1.4
55.01879	14.4
55.05258	2.4
55.05516	43.3
57.03440	51.6
57.07083	16.5
58.03773	1.4
62.20673	1.4
64.36817	1.4
65.03955	2.8
67.05159	2.7
67.05510	40.3
67.37754	1.6
68.13592	1.4
69.06707	2.7
69.07073	37.0
69.40342	1.5
69.41784	6.6
71.08635	7.3
71.96493	1.6
72.65747	1.4
79.05503	25.9
81.07060	42.8
83.04984	2.8
83.08128	1.8
83.08624	28.2
85.10192	2.2
86.09690	1.6
91.05484	14.5
93.07050	28.4
95.04980	2.2
95.08611	31.5
97.06525	4.1
97.10169	18.7
98.98470	67.6
105.07034	8.8
107.08613	16.2
109.10165	15.5
111.08066	1.8
111.11725	4.6
113.00019	90.4
115.05486	2.0
117.07019	3.5
119.08604	8.3
121.10143	18.3
123.11713	6.6
129.05524	1.6
131.08586	6.3
133.10144	7.0
135.11697	16.1
136.99997	61.9
137.13258	4.3
143.04918	3.6
145.10170	4.2
146.06717	1.6
149.13275	5.5
155.01050	48.9
159.11722	3.5
161.13249	3.6
163.14874	2.9
164.07056	1.9
169.02621	50.2
173.13264	5.0
187.03659	9.5
187.14861	3.8
193.02606	10.5
211.03696	7.9
219.21010	2.4
237.22137	12.7
243.21133	6.4
261.22128	21.3
275.23804	1.6
311.25797	47.5
312.26074	3.1
317.24780	4.3
335.25821	60.2
336.26065	4.1
429.23926	2.4
447.25082	100.0
447.29636	4.1
447.42276	2.2
448.25171	7.6
448.30594	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69759	0.3
53.03941	1.0
55.01874	0.6
55.05507	1.4
57.03435	9.2
59.04999	0.7
61.02922	1.4
69.03432	2.5
69.17930	1.7
70.06567	0.3
71.01343	0.5
71.04992	66.8
72.05311	0.9
72.16312	0.3
73.02908	2.3
73.55059	0.3
75.04482	4.7
75.41264	0.3
81.03404	1.0
83.04978	7.0
85.02903	100.0
86.03226	0.7
86.06084	0.3
87.04466	2.0
91.03947	0.7
97.02892	4.6
98.22691	0.6
99.04424	1.5
103.03948	1.0
105.07026	1.5
109.02869	1.0
110.06025	0.6
111.04440	5.0
115.67422	0.3
117.93243	0.3
127.03910	5.1
129.05476	44.4
130.05826	0.7
144.45830	0.3
145.04959	6.8
146.08122	1.7
147.06520	25.0
148.06868	0.5
153.80377	0.3
162.69266	0.3
163.06038	3.1
164.09192	7.5
165.07605	0.9
215.10616	0.5
233.11508	0.3
237.07542	0.8
243.08563	0.5
249.11018	0.3
255.08626	2.3
273.09637	2.1
285.13156	1.1
302.15891	0.8
309.11862	2.7
333.44031	0.4
359.47955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30910	0.5
53.03954	1.1
55.05520	1.7
57.03438	10.4
59.22624	0.5
61.02933	1.5
65.76506	0.5
69.03421	2.6
69.35357	0.9
69.35767	1.8
71.01354	1.1
71.04996	79.3
72.05328	0.9
73.02921	1.9
75.04476	4.9
77.42366	0.5
79.05506	1.3
81.03441	0.7
83.04983	8.5
85.02908	100.0
86.03250	1.1
87.04485	2.2
91.05495	0.8
93.07032	0.7
95.04984	0.6
97.02895	6.0
98.22683	1.0
99.04480	1.3
101.06008	0.6
103.03961	1.4
103.05483	0.8
105.07037	37.6
107.08588	2.5
110.06041	0.7
111.04435	5.7
119.08595	9.5
121.06528	1.7
127.03935	3.5
129.05484	47.7
130.05829	0.8
131.08549	1.5
143.08565	2.3
145.04935	2.8
146.08119	1.6
147.06522	26.8
147.08031	5.2
147.11650	1.5
156.07243	0.6
159.08047	4.2
161.09650	0.8
163.06039	0.8
164.09207	8.6
165.07684	0.9
171.06683	0.7
171.08075	1.6
185.44234	0.5
189.09093	5.5
215.10736	1.2
231.10313	0.8
233.11696	0.6
249.11191	1.2
255.08699	2.0
273.09689	1.6
309.11710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44728	0.2
53.03939	0.3
55.01863	0.5
55.05525	0.4
57.03427	1.0
61.02925	0.9
67.05498	0.5
67.12482	0.3
69.03436	1.5
69.07060	0.3
70.06598	0.5
71.01357	0.3
71.05014	0.6
73.02920	7.8
79.05484	0.5
81.07040	0.7
84.04501	0.8
84.08136	0.9
85.02909	2.7
86.09708	0.8
91.05474	4.7
93.07043	0.8
95.04951	0.3
95.08591	0.4
97.02901	2.4
99.04430	0.3
102.05572	0.3
103.05501	0.6
104.06244	0.5
105.07042	0.6
105.94276	0.2
107.08586	0.6
109.10166	0.4
115.03953	1.4
115.05473	0.3
117.07040	1.1
119.08580	100.0
120.08095	1.9
120.08923	2.1
121.10132	1.2
127.03912	0.9
129.10249	0.7
130.04953	0.3
130.08598	0.5
131.08589	0.7
133.04991	1.1
133.10095	2.1
137.97771	0.3
145.04956	1.1
145.10115	0.8
147.11586	0.3
148.11220	0.7
149.09576	0.3
150.07576	0.5
157.10109	1.1
159.11705	0.9
161.09583	1.9
163.06007	0.4
163.11212	0.3
173.09621	1.1
177.09138	0.3
185.09654	0.9
187.11252	0.3
187.14806	0.3
203.10690	0.6
215.10658	0.6
223.05948	0.3
233.11742	2.7
233.15225	0.3
245.11804	0.3
247.17076	0.4
251.16455	0.8
259.08069	0.4
265.18097	0.4
317.08478	0.9
318.08789	1.0
394.21799	0.3
405.15222	1.7
431.18979	0.3
448.18677	3.9
449.14047	7.3
449.27744	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57186	1.0
55.05507	3.7
56.05031	4.2
67.05504	11.9
67.39286	0.9
69.07066	2.7
71.05000	1.3
79.05498	8.4
81.07056	11.7
83.08631	2.5
84.04505	100.0
85.02898	4.5
85.06516	1.3
91.05482	11.9
93.07030	9.4
93.45454	0.8
95.04969	1.0
95.08610	13.6
97.06549	2.4
97.10136	0.9
99.08133	1.3
102.05545	55.0
105.07035	7.0
107.04971	2.7
107.08612	6.3
109.10168	5.7
111.08083	2.7
117.07014	3.5
119.08605	9.5
121.06536	2.4
121.10154	9.1
123.08060	2.5
125.09689	1.0
127.03902	1.0
129.07036	2.2
129.81050	0.9
130.05005	60.6
131.05370	1.0
131.08586	8.7
133.10094	4.3
135.08078	5.0
135.11696	3.5
137.09616	1.7
141.41583	0.9
143.08516	1.3
145.10120	7.7
147.08063	1.5
147.11668	2.2
148.06047	52.5
148.96776	0.9
149.09589	8.2
151.11099	0.9
159.11694	2.8
161.09544	1.0
163.11183	5.3
169.10181	2.6
185.13237	1.2
187.14838	5.7
201.16379	3.0
203.18004	1.1
205.15840	1.8
211.14861	6.9
216.58202	1.1
219.17491	1.9
223.16841	2.2
229.15930	5.7
233.15376	1.4
237.18527	1.6
241.17998	2.0
247.16931	21.2
248.17368	1.0
251.16368	1.4
265.18011	9.3
283.19043	3.4
291.48712	0.9
330.20667	1.2
348.21695	5.8
350.23141	1.6
352.20969	1.9
366.22754	4.9
368.24399	3.4
370.22144	6.0
384.23712	4.0
394.22278	12.8
412.23300	17.4
413.23648	1.4
430.24319	10.1
448.18668	1.8
449.30820	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	448.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07077	5.7
58.06606	2.1
64.78284	0.4
69.70084	1.5
70.06590	13.9
71.08635	2.1
73.02867	0.5
85.10181	0.8
88.07628	19.7
91.05463	1.5
91.64661	0.5
102.08521	0.9
102.09171	13.5
104.02604	4.4
119.04958	2.3
119.05619	0.4
132.02071	7.5
136.01555	2.4
147.04407	22.8
147.05472	0.9
148.05196	7.1
149.02382	1.1
175.03902	42.5
176.04558	2.7
180.04152	3.8
191.07014	2.1
193.04916	1.1
206.48863	0.5
212.23801	0.5
219.06514	75.6
220.06853	1.8
252.34702	0.5
256.26349	44.6
256.38736	0.5
257.26688	1.0
299.05484	0.7
357.26819	0.4
448.30557	100.0
449.30875	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	448.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	7.2
58.06611	2.3
67.05492	1.1
70.06593	15.9
70.15952	0.8
71.08627	2.2
72.08134	0.7
78.98209	0.5
81.07034	1.1
85.10159	0.5
88.07634	18.2
91.05465	2.1
93.07037	1.1
95.08626	0.9
98.98440	0.9
102.09184	14.6
104.02599	4.7
119.04915	2.0
121.10104	0.5
132.02086	6.9
133.10045	0.5
134.75633	0.5
136.01546	2.7
137.05995	0.6
147.04414	23.8
147.05461	0.9
148.05194	7.7
149.02367	1.1
160.31076	0.4
165.57831	0.4
175.03912	45.4
176.04601	2.5
180.04178	4.0
191.07033	1.9
193.04984	1.2
195.14929	0.4
212.23720	0.7
219.06522	78.0
220.06882	2.7
222.31372	0.5
256.26358	42.8
257.26611	1.0
259.20529	0.6
333.24121	1.0
351.25357	0.6
367.17871	0.7
373.11905	0.4
389.12286	0.5
390.20935	0.5
391.24524	1.8
423.56509	0.5
448.30588	100.0
449.31006	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	448.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05516	25.3
56.96545	1.7
57.07080	2.8
67.05505	24.2
69.03416	2.7
69.06747	1.5
69.07072	10.6
70.25478	3.3
71.08630	3.3
79.05489	18.1
81.03432	2.2
81.07060	24.8
83.04980	3.5
83.08622	16.3
85.02928	2.3
85.06538	2.2
91.05489	25.1
93.07048	17.9
95.04965	5.4
95.08595	14.5
97.06547	3.2
97.10176	23.3
103.05447	2.1
105.07050	8.0
107.04975	1.8
107.08597	13.5
109.06525	2.1
109.10165	9.4
116.80119	1.7
117.07045	4.2
119.04983	14.5
119.08588	5.3
121.06511	6.4
121.10161	5.3
123.04425	14.6
123.11703	2.5
125.09641	18.9
129.07007	3.4
131.04890	3.1
131.08575	3.0
133.06526	4.3
133.10126	3.3
135.04431	4.3
135.08084	3.1
135.11684	3.8
137.05984	100.0
138.06349	2.6
145.06532	4.2
147.04416	4.8
147.08080	2.2
147.11693	2.6
149.06003	7.7
151.11252	2.6
152.07083	2.1
154.08641	26.4
155.08739	2.8
157.06514	3.1
161.05954	4.6
161.13228	2.0
164.07063	21.2
173.05945	2.5
173.11880	2.5
175.07637	4.4
178.08641	2.5
185.74361	1.9
187.07610	3.6
189.11237	24.3
190.09618	1.9
190.69252	1.8
197.09642	1.8
201.09265	2.3
204.11371	3.3
217.12292	9.8
219.13828	2.9
231.13835	12.7
234.14920	83.4
235.15227	2.4
243.13797	6.3
245.15562	3.0
255.38133	1.7
259.16913	14.4
276.19614	11.1
277.21671	12.9
279.23184	2.0
295.22760	2.9
306.16943	2.3
395.25830	6.4
413.26901	27.9
430.29510	15.0
448.30566	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03405	0.6
68.99801	1.2
69.49879	2.2
72.19164	0.4
78.00005	0.5
81.03400	0.9
85.02882	2.0
87.44746	0.4
93.03380	0.6
93.42935	0.5
102.53627	0.4
103.03927	0.7
109.02894	1.9
117.03430	0.5
121.02873	2.0
121.51175	0.4
122.44155	0.4
135.04393	2.5
137.02350	6.9
141.01830	1.7
149.02356	2.6
153.01831	0.7
159.04388	0.5
161.02330	2.6
163.03868	2.9
165.01823	17.0
165.03168	0.9
167.03378	3.3
177.01804	1.8
177.05534	1.0
178.14328	0.5
179.03432	1.8
181.04866	0.6
183.02859	3.5
187.03903	1.6
189.01860	0.9
190.99670	0.5
191.03378	0.9
195.02879	2.4
199.04060	0.7
203.03407	0.8
205.04909	0.5
215.03439	1.1
243.02847	1.1
245.04471	1.3
255.06569	0.9
269.08148	0.5
271.05988	1.0
272.06796	1.3
283.05994	8.5
286.04697	3.6
287.05511	7.3
293.07947	0.6
294.13474	0.5
295.05966	1.9
297.04321	0.9
297.07559	7.7
299.05493	100.0
300.06146	12.1
301.06863	0.8
309.07565	0.9
310.04678	0.6
311.05487	11.9
311.09143	2.6
312.05811	0.6
313.03461	1.0
313.07025	2.2
321.07568	2.7
323.05450	2.7
324.06213	2.1
325.03372	1.7
325.07022	19.7
326.07278	0.5
327.05072	0.8
329.06534	69.6
330.06955	3.0
337.07040	2.6
339.05142	1.1
339.08633	15.8
340.08945	0.6
341.06613	0.7
349.07019	4.2
351.04800	0.9
353.06546	38.6
354.06906	2.5
365.06528	11.0
366.06781	0.5
367.08038	3.4
377.06525	10.1
378.06784	0.9
383.07623	23.8
384.07971	1.5
395.07626	20.2
396.08005	1.3
413.08661	19.9
414.08838	1.3
418.40259	0.5
431.09720	14.1
432.10004	0.9
449.10770	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	449.1078
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
50.23438	0.3
50.92780	0.3
55.01869	0.4
55.31873	0.3
57.03439	8.3
68.99807	0.6
70.53475	0.7
73.02924	3.5
75.04482	27.1
85.02897	2.4
95.04992	0.3
109.02863	0.4
111.00803	0.7
111.04451	0.4
121.02864	0.8
123.74867	0.3
127.03825	0.3
137.02347	2.7
145.06409	0.3
149.02350	0.5
153.01843	3.6
163.03902	0.4
165.01860	2.0
173.06116	0.3
181.31609	0.3
183.02953	0.4
187.03932	0.5
195.02901	0.3
199.30530	0.3
201.05501	2.0
229.04961	3.8
236.41057	0.3
247.06030	0.7
253.01022	0.3
257.04376	2.4
274.04697	0.8
285.03833	1.5
299.05508	2.8
303.04984	100.0
304.05295	4.0
317.06601	1.0
321.17282	0.3
325.07019	0.6
329.06580	2.3
353.06595	1.2
377.06873	0.4
383.07657	0.7
395.07623	0.7
413.08603	0.4
431.09766	0.6
449.11020	0.4
449.17480	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1079
Annotation	Homoorientin
Peak:m/z	Relative Intensity
55.01863	0.9
61.02927	0.6
68.99808	1.0
72.16209	0.6
78.25333	0.5
81.03425	1.8
85.02872	1.1
93.03353	0.7
94.08235	0.7
98.23538	1.4
109.02886	1.2
121.02865	2.0
123.00782	0.9
135.04399	3.5
136.46376	0.6
137.02350	7.7
137.03362	1.0
141.01849	2.2
145.02859	0.7
146.61458	0.6
147.04408	0.9
149.02362	2.6
155.32568	0.6
159.04419	0.7
161.02309	3.0
163.03900	3.2
165.01840	18.2
166.02322	0.8
167.03371	3.5
177.01846	1.7
179.03496	1.3
183.02907	3.7
183.63869	0.7
187.03828	1.5
189.01912	0.9
191.03387	1.1
195.02905	1.6
203.03383	0.7
205.05026	1.0
243.02895	1.8
245.04460	1.9
255.06499	1.0
258.05362	0.8
271.05957	1.2
272.06882	1.2
283.06015	8.6
284.06293	0.8
286.04703	4.0
287.05460	7.1
295.05963	1.3
297.04410	0.9
297.07602	7.4
299.05493	100.0
300.06076	14.8
301.07010	0.9
309.07574	1.1
310.04565	0.8
311.05484	11.2
311.09097	2.7
312.05991	1.2
313.03659	1.1
313.07108	3.0
321.07477	2.1
323.05521	1.9
324.06247	2.6
325.03418	2.0
325.07010	21.8
326.07245	1.2
327.05069	1.2
329.06537	67.5
330.06842	5.5
337.07050	2.7
339.05469	0.5
339.08594	13.7
340.08975	1.0
349.06815	3.1
353.06537	40.9
354.07037	3.6
365.06573	10.9
367.08130	2.1
377.06491	9.2
377.10837	1.0
383.02673	1.2
383.07596	22.7
384.07883	1.4
395.07590	20.1
396.07837	2.0
413.08646	22.7
414.08878	1.7
431.09711	14.2
432.09860	1.1
435.69366	0.8
449.10825	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	449.1079
Annotation	Quercetin-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
55.05514	1.0
55.07731	0.9
57.03425	4.6
68.99773	1.2
71.04636	1.5
71.04996	26.7
85.02404	1.9
85.02901	32.2
86.09685	1.8
87.04458	1.5
109.02872	1.2
119.08606	1.2
120.08121	2.1
121.02940	1.2
121.10137	1.5
129.05502	7.9
137.02386	5.0
145.02795	1.3
147.06514	1.5
153.01785	5.3
165.01782	4.1
167.03209	1.6
201.05554	2.3
229.04996	3.6
257.04498	3.5
285.04218	1.9
286.50708	1.1
287.05573	9.5
299.05524	9.4
303.04974	100.0
304.05289	4.6
311.05560	1.5
325.06955	2.6
329.06573	7.8
345.06445	1.2
353.06512	4.2
365.06467	1.3
383.07401	2.0
395.07730	2.2
413.08502	4.2
423.44897	1.1
431.09528	1.2
438.74152	1.2
449.21304	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1424
Annotation	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone
Peak:m/z	Relative Intensity
57.03416	0.8
61.02917	1.6
63.68643	0.7
67.05508	1.4
69.03417	1.5
69.07053	1.7
70.02563	0.7
70.06562	0.7
72.89211	0.7
73.02924	5.3
79.05477	2.0
81.07024	1.0
84.04459	0.8
84.07681	0.9
84.08144	12.5
85.02903	3.3
86.09703	8.8
87.00826	1.0
91.05489	4.4
92.05793	0.9
93.07043	2.4
95.08615	0.7
97.02900	1.3
97.06523	0.8
99.04524	0.8
103.05457	2.0
107.08582	0.8
109.02847	1.6
109.10124	1.0
115.03886	0.7
116.04279	0.7
119.08578	51.7
120.08086	30.9
120.08913	32.6
121.06440	1.2
121.10136	2.0
127.03897	1.4
128.10709	2.7
129.10236	6.0
130.08647	7.9
133.04984	1.1
133.10127	1.8
137.05965	1.3
145.04936	1.0
145.10168	0.9
145.91089	0.7
147.11278	8.4
149.09660	0.7
158.10287	0.6
161.09581	1.2
167.06982	1.0
167.10602	0.9
168.76138	0.6
173.09590	0.7
175.06442	0.9
188.11586	0.8
193.07384	0.8
219.09030	1.1
233.11719	1.2
234.12021	0.9
272.06604	0.6
276.17093	0.9
287.05426	1.7
294.18146	4.9
299.05365	1.1
311.34662	0.7
319.08926	0.9
363.13275	3.2
405.15176	31.2
406.15387	1.4
431.18701	2.0
449.14114	100.0
449.27466	19.9
450.14590	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	449.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.3
58.95209	1.6
58.98204	1.4
60.66788	1.3
61.73398	1.3
65.03934	4.8
66.04707	1.5
67.05503	3.8
68.99785	9.6
71.01344	3.8
71.45747	1.2
74.97239	1.2
77.03948	2.5
79.05490	10.2
81.07052	4.9
83.37126	1.2
85.02895	3.6
89.03947	1.6
91.05479	19.2
93.03413	2.5
93.07027	1.5
95.04975	7.3
103.05447	1.8
105.03374	3.9
105.04505	2.3
105.07028	3.9
106.04180	2.1
107.04957	7.3
109.06522	6.4
110.03662	2.8
111.04436	4.0
117.03362	3.4
119.04967	9.0
121.02868	4.1
121.06497	4.5
122.03625	2.3
123.04417	7.4
124.05251	2.2
125.05968	4.3
131.04945	2.1
133.02838	10.2
133.06476	8.2
134.03616	3.8
135.04420	14.3
136.05191	1.4
137.02309	3.1
137.05983	12.8
139.03873	2.5
139.07521	6.1
140.04639	1.8
145.02844	2.2
147.04393	6.5
148.05254	1.4
149.05968	2.6
151.03880	2.1
151.07507	4.6
153.05460	14.7
154.06293	2.8
155.07019	8.2
161.05995	3.1
162.03140	2.1
163.03922	22.5
164.04709	1.4
165.01831	1.9
165.05469	23.4
165.12698	1.4
166.06223	5.8
167.03456	1.8
167.06999	5.1
171.06561	3.0
176.04674	2.3
177.05501	8.6
177.06769	1.6
179.03339	1.8
180.04118	7.7
180.07796	13.9
181.04951	55.0
182.05681	1.8
183.06630	1.8
193.04993	9.4
195.06528	12.0
197.08086	2.5
198.97389	1.7
207.06471	9.5
208.07310	40.2
208.41187	1.4
209.08018	1.8
219.06421	3.2
223.06007	100.0
224.06497	4.2
225.07576	35.1
226.08333	36.0
270.17358	2.1
283.06146	1.7
287.05371	3.4
297.07733	1.7
299.05524	22.5
300.06143	2.1
311.05475	1.9
325.07135	3.6
329.06552	17.6
339.08588	6.0
353.06555	8.4
365.06693	3.1
377.06400	2.2
383.07559	5.7
395.07599	4.9
399.26688	1.6
413.08447	4.7
431.09659	4.2
436.03415	1.4
442.56342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79588	2.8
68.99779	7.8
69.28742	2.4
79.05487	5.5
81.03415	3.1
85.02887	2.9
85.40669	2.8
86.09700	4.4
91.05482	9.6
95.04939	5.5
105.03363	2.9
105.07033	2.8
107.08536	3.1
111.04395	3.2
119.04937	3.6
123.04455	3.3
129.10287	2.9
133.02861	6.0
133.06493	5.1
135.04413	7.9
137.05977	9.3
139.07434	3.6
147.04405	7.7
151.07582	3.7
153.05470	9.3
155.07008	4.2
163.03914	11.4
165.05498	15.1
167.06979	5.2
177.05429	5.2
180.04060	2.8
180.07826	5.3
181.04916	34.2
185.54279	2.7
193.05006	4.0
195.06497	6.9
207.06535	8.4
208.07352	29.3
223.06012	60.3
225.07597	21.6
226.08418	17.3
271.95682	2.5
287.05444	4.5
287.12540	53.6
431.19131	5.8
449.17773	100.0
449.24744	5.0
450.18069	3.7
455.79868	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	449.1792
Annotation	Dichotosin
Peak:m/z	Relative Intensity
61.46801	0.6
62.72558	0.6
68.99783	2.1
69.43353	0.6
69.74037	1.5
69.74423	1.1
79.05486	2.1
81.07039	0.6
89.03957	0.6
91.05473	4.7
91.97724	0.6
95.04975	1.0
105.03403	1.3
106.51909	0.6
107.04915	0.7
109.06501	1.0
111.04449	1.1
117.03355	0.7
119.04938	0.7
121.06428	0.7
123.04472	1.0
125.06037	0.6
133.02858	2.1
133.06532	1.2
135.04417	2.6
137.05991	1.8
139.07570	1.3
140.04713	0.7
147.04404	0.9
149.05989	1.0
153.05466	2.3
154.06287	0.9
155.07089	1.1
163.03867	3.7
165.05490	4.3
166.06323	1.1
167.07014	0.7
177.05482	1.8
180.04211	1.1
180.07831	2.8
181.04968	10.4
185.04243	1.1
189.47891	0.7
193.04979	2.1
193.29295	0.6
195.06528	2.0
197.08067	0.7
207.06586	1.6
208.07332	8.0
223.06020	16.6
224.06436	1.0
225.07529	6.0
226.08443	5.1
287.05685	5.2
287.12534	57.7
288.12866	2.4
329.06662	0.7
449.17767	100.0
449.30872	2.5
450.18008	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	449.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08652	0.2
54.17029	0.2
57.27628	0.2
57.90793	0.2
58.80167	0.2
69.28295	0.5
69.28693	1.0
81.07088	0.3
85.02947	0.3
93.07054	0.2
137.02342	0.4
165.01871	1.0
209.08044	0.3
247.90549	0.2
280.92447	0.2
283.06055	0.6
286.05139	0.2
287.05399	0.5
297.07501	0.5
299.05505	5.8
300.06018	0.8
303.14145	8.3
304.14450	0.5
311.05399	0.7
325.07123	1.3
327.45859	0.3
329.06589	4.1
330.07141	0.4
339.08560	0.9
353.06482	2.3
365.06522	0.6
377.06458	0.3
383.07547	1.6
395.07495	1.2
413.08502	1.3
416.91278	0.3
431.09589	1.1
449.19955	100.0
450.20245	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	449.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81335	0.5
67.05451	0.5
69.57149	1.5
69.57561	0.9
71.48956	0.4
76.14308	0.5
81.07031	0.9
82.50065	0.6
93.07088	0.5
95.08571	0.6
124.93182	0.4
144.76125	0.5
147.03931	14.9
217.00099	0.5
251.10187	2.0
265.11667	0.8
266.12463	1.0
325.21387	1.0
347.19565	100.0
348.19867	5.2
382.92496	0.5
388.22214	2.6
449.26392	94.0
450.20978	0.7
450.26541	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	449.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.7
57.03440	50.2
57.07078	40.3
65.03936	1.6
67.05507	34.1
69.07071	16.7
69.34354	6.5
71.08636	27.7
77.00949	1.5
79.05495	9.3
81.07059	39.5
83.05022	1.5
83.08630	12.7
85.06542	2.7
85.10188	15.8
91.05482	4.8
92.29102	1.3
93.07055	7.3
93.79450	1.6
95.01920	2.4
95.04967	1.7
95.08609	40.3
97.06567	1.9
97.10172	5.7
98.98469	77.0
105.07034	4.1
107.08610	6.1
109.10162	16.9
113.00021	89.0
116.99506	2.3
119.08598	5.3
121.10136	4.1
123.11717	5.8
125.00094	2.0
133.10060	2.3
135.11696	2.1
136.99995	68.5
137.12032	1.2
137.13287	4.0
147.11710	1.9
155.01048	70.8
161.13303	2.1
165.16299	1.4
169.02620	96.9
176.37027	1.3
178.02586	1.7
187.03677	5.5
193.02626	16.5
211.03673	16.2
237.62987	1.7
239.23691	4.0
245.22661	3.4
248.00858	1.5
263.23727	9.9
287.05478	1.7
295.26450	1.9
313.27383	60.0
337.27383	39.8
338.27667	2.6
385.23895	3.9
403.25122	10.4
408.25781	3.0
426.26505	1.9
449.26596	100.0
450.26868	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	449.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06820	0.7
52.52271	0.7
53.03959	0.7
55.05259	1.1
55.05513	18.2
57.03178	1.1
57.03439	13.5
57.07079	4.8
57.94647	0.7
58.02200	0.7
65.03947	1.2
67.05507	40.1
67.67336	0.6
69.07068	21.6
71.05004	1.4
71.08625	1.9
79.05491	8.0
81.07059	35.0
82.07361	0.7
83.08618	12.4
85.10223	0.7
85.14976	0.6
91.05500	6.8
93.07047	9.5
95.08607	30.5
97.06538	2.3
97.10157	5.9
98.98472	4.0
105.04504	0.7
105.07021	4.8
107.08579	5.1
109.06494	1.0
109.10145	11.4
111.08109	0.8
111.11705	1.6
113.00019	64.3
113.09635	1.1
113.28993	0.7
119.08549	4.4
121.10127	4.8
123.11733	4.6
131.01071	0.8
133.10158	4.7
135.11690	2.9
136.86501	0.7
136.99983	2.5
137.09610	1.2
137.13220	1.5
147.11690	3.2
149.13271	1.8
151.14928	0.7
155.01059	3.3
161.13269	2.6
163.14818	1.9
169.02615	33.8
175.14790	1.5
187.03658	5.1
189.16296	0.8
211.03662	1.1
245.22714	4.3
245.26605	0.7
247.24146	0.7
263.23801	6.5
313.27423	2.6
337.27368	100.0
338.27670	6.0
431.26010	0.9
447.81863	0.8
449.26605	3.5
452.07236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
56.96551	1.4
64.01665	1.9
67.05495	1.1
69.42857	4.6
77.38348	0.9
81.07059	2.7
91.05454	1.1
95.01093	29.8
95.08597	1.6
98.23479	1.7
105.07015	1.3
109.10169	1.7
119.08576	1.3
123.11738	1.1
149.46877	1.1
159.00877	100.0
232.27870	1.1
330.62601	1.1
340.39584	0.9
354.17572	1.1
369.19736	1.2
449.26962	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	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.8
55.05520	0.5
56.05032	1.2
57.03429	0.8
67.05518	0.7
68.14767	0.5
69.03431	1.3
69.07077	0.6
70.06586	1.3
71.04990	0.6
71.54759	0.5
73.02910	3.6
79.05516	1.1
81.07048	1.4
82.85683	0.5
84.08144	45.0
85.02921	2.6
86.09708	27.3
87.10072	0.7
89.62944	0.5
91.05493	2.0
93.07070	2.1
94.50513	0.6
95.04968	0.9
95.08620	1.7
97.02890	1.5
99.04387	0.5
101.10775	2.1
103.05472	3.8
105.07081	0.7
107.08585	0.8
109.02911	0.6
109.10180	1.2
115.03944	0.5
119.08585	25.4
120.08115	100.0
120.08929	16.3
120.38755	0.5
121.08471	1.7
121.10153	1.5
127.03923	1.1
128.10712	9.4
129.10242	21.5
130.08641	22.1
134.10483	0.9
135.55511	0.5
147.11276	24.6
148.11244	0.7
149.09592	0.7
156.10248	2.1
167.10742	0.7
234.11914	0.7
259.14319	0.8
262.28729	0.5
276.17017	2.7
277.15405	0.6
285.15979	1.1
287.05380	3.4
294.18118	15.3
299.05569	1.1
303.16949	1.3
304.86090	0.6
329.06635	0.7
405.15179	8.0
413.22641	0.5
431.18817	0.8
449.14102	24.2
449.27582	55.4
450.14575	1.9
450.27859	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	450.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76329	1.7
55.01871	5.0
57.03437	41.4
61.02921	18.5
69.03428	46.5
70.58788	2.9
71.01354	7.9
71.04985	2.0
73.02914	100.0
75.78923	2.3
81.03420	6.8
85.02903	95.4
87.04457	6.3
91.03970	3.6
91.05489	6.9
93.07059	3.6
97.02891	84.7
99.04462	4.6
100.36027	2.1
103.03935	2.7
107.04962	14.2
109.02895	7.6
115.03925	71.6
115.04704	3.9
117.07013	3.3
121.06506	67.7
127.03909	31.2
133.04962	24.2
135.04425	8.3
135.37897	2.0
137.05954	18.6
144.17255	1.9
145.04980	37.1
145.06485	16.9
151.07547	3.2
151.80357	1.8
157.06548	3.8
159.08052	8.2
163.06046	16.8
163.07565	9.7
171.08124	3.6
175.07527	16.2
179.07071	3.5
183.08005	2.1
185.34848	2.2
187.07547	29.0
187.09053	2.9
189.09140	3.3
205.08627	25.5
215.63525	2.2
217.08646	23.2
223.06056	8.0
229.08606	12.5
235.09668	24.0
241.07089	9.4
247.09647	10.1
253.10770	9.0
259.08142	11.5
265.10724	15.6
270.07663	4.4
271.09708	3.3
295.10352	12.8
301.12994	2.6
359.99966	2.0
415.13474	3.4
450.16977	10.4
451.17560	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	450.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	15.9
58.05235	6.4
61.97874	8.5
67.05508	29.3
69.07062	46.2
70.05293	14.9
71.04993	8.5
76.66276	8.5
79.05497	33.1
81.07053	69.2
81.66948	7.1
83.08604	15.5
88.03980	22.6
91.05476	16.9
93.07062	23.3
95.04953	19.8
95.08602	63.7
97.06544	12.1
97.10159	13.9
98.97630	7.2
105.07020	100.0
106.64743	7.2
107.08568	37.5
109.06563	8.2
109.10163	56.4
111.04428	10.1
111.11702	11.2
112.14709	9.0
119.04906	8.0
119.08593	65.7
121.10155	21.0
123.08164	7.6
123.11692	11.6
125.06030	27.2
125.09602	7.5
131.08574	61.0
133.10164	31.2
134.04498	22.3
135.11699	11.8
137.05989	36.7
137.13245	11.2
138.06316	19.6
142.07755	7.0
143.08592	16.0
145.10120	90.1
147.08067	23.1
147.11700	19.6
149.13226	12.1
155.08586	13.2
157.10152	29.1
159.11720	29.8
161.09633	12.2
161.13358	16.4
169.10158	11.1
171.11697	18.8
173.13234	40.3
175.11191	14.5
175.14859	14.9
183.11691	14.1
185.13277	7.8
187.14790	9.0
197.13261	20.9
201.12738	10.7
227.17950	13.9
243.21094	80.9
253.19489	24.6
271.20535	90.9
278.18384	20.1
289.14023	21.2
299.20047	12.1
300.05804	11.7
317.21164	9.7
330.06815	10.2
352.21939	24.8
386.23193	63.3
404.24365	64.1
432.23712	14.3
450.30414	13.1
451.19492	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.249
Annotation	Caerunine
Peak:m/z	Relative Intensity
53.70615	5.7
55.05503	16.2
67.05501	26.9
69.07072	38.9
70.35081	6.1
70.91662	8.3
79.05495	25.4
81.07061	56.9
83.04971	7.9
83.08629	16.8
87.31564	5.9
89.69350	6.3
91.05491	22.2
93.07044	28.0
95.04983	18.5
95.08602	54.9
96.08985	7.7
97.06526	9.1
97.10158	10.5
103.05454	9.8
105.07040	93.9
107.08603	30.2
109.10141	44.3
119.08602	53.7
121.10138	21.0
123.11744	17.3
125.06026	29.3
125.13264	6.4
131.08562	55.4
133.10149	38.4
134.04507	19.4
135.11717	14.0
137.05956	9.9
143.08562	11.1
145.10130	100.0
147.08102	13.9
147.11693	24.8
148.03972	7.6
149.13306	8.4
155.08539	7.2
157.10144	25.5
159.11673	41.4
161.13293	12.5
163.14880	6.3
166.05017	26.7
169.10133	16.2
171.11714	30.5
173.13272	39.6
175.11162	9.5
175.14781	12.1
183.11743	10.0
187.11229	7.3
187.14848	16.7
189.16255	7.5
197.13301	15.2
211.14819	7.4
227.18027	13.5
229.19479	12.5
243.21123	80.1
246.11491	8.0
253.19485	36.3
271.20578	87.0
299.20050	18.6
304.15146	6.8
317.21021	7.2
386.23184	50.4
404.24277	50.1
414.22763	8.8
422.26904	34.5
432.24603	32.3
450.20966	13.4
450.26505	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	450.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42907	5.5
55.05505	20.4
60.03360	6.0
67.05509	30.0
69.03451	7.2
69.07066	38.7
69.80206	13.7
79.05498	28.6
81.07060	81.0
83.08628	15.2
83.57965	6.4
85.06543	8.9
88.03989	19.7
91.05485	21.0
93.07054	36.5
95.04981	24.3
95.08598	50.5
97.06522	12.9
97.10139	14.2
99.58318	6.2
105.07037	99.9
105.71277	5.7
107.08588	29.3
109.10161	49.5
111.08096	6.9
117.07018	10.4
119.08569	56.6
121.06537	9.1
121.10129	30.4
123.11713	18.6
125.06023	37.4
125.09591	8.1
131.08536	52.7
133.06454	7.2
133.10133	34.9
134.04485	22.0
135.11681	18.0
137.05952	16.5
137.13252	10.3
138.05510	8.7
143.08539	9.5
145.10127	100.0
147.08083	13.3
147.11697	25.6
148.03949	8.8
149.05968	12.9
149.13261	12.5
155.08578	9.0
157.10146	19.7
159.08096	8.4
159.11702	35.4
161.09573	7.4
161.13287	16.7
166.05011	20.7
169.10138	13.7
171.11707	27.9
173.05942	6.7
173.13306	45.4
175.11163	8.2
175.14667	8.0
183.11650	14.1
185.13232	11.2
187.14836	17.0
195.18492	6.7
197.13283	21.6
201.12769	10.6
211.14809	12.8
227.17937	18.2
229.19514	11.1
243.21082	73.1
253.19678	33.0
271.20612	83.9
272.40692	6.2
299.20078	9.5
317.21201	6.9
386.23203	43.6
404.24252	58.5
422.26846	29.0
432.24237	15.5
434.63129	7.2
450.21207	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	450.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	13.6
57.03438	8.8
57.07068	6.1
66.05373	3.0
67.05508	48.5
69.07072	15.3
72.84323	3.1
79.05490	42.6
81.07053	50.4
83.08620	6.9
85.06529	3.4
88.12540	2.8
91.05486	17.4
93.07043	40.9
95.04962	5.7
95.08603	38.2
98.98465	100.0
105.07059	17.4
107.08583	26.5
109.10162	19.5
117.07045	5.1
119.08575	28.3
121.10152	26.9
121.70822	3.5
123.11694	9.8
125.09689	3.4
131.08563	10.5
133.10133	9.9
135.11710	17.7
137.13243	3.5
145.10110	10.4
147.11716	10.9
149.13275	15.2
155.00993	36.1
159.11708	8.1
159.56839	3.0
161.13306	7.4
163.14801	7.6
173.02121	11.7
173.13245	6.1
177.16383	3.1
187.14790	5.1
223.54131	3.8
233.22795	4.4
243.21089	25.0
261.22137	67.0
262.22397	3.8
317.24652	4.7
335.25793	67.7
336.26028	3.9
351.15485	4.8
415.22348	6.3
450.21368	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	450.262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01885	0.5
55.05267	0.9
55.05515	11.2
57.03440	8.4
57.07066	1.5
67.05505	25.5
67.05868	1.3
68.05815	0.6
69.06712	1.0
69.07066	13.0
69.65468	1.5
70.07399	0.5
71.04974	1.7
71.08621	2.0
79.05098	0.8
79.05497	8.2
81.03408	1.0
81.07057	23.3
82.07388	1.0
83.04979	1.6
83.08621	6.4
85.06538	1.1
91.05470	3.9
92.05828	0.6
93.07052	10.3
94.07380	0.9
95.04971	1.5
95.08607	25.0
95.09217	1.4
97.06522	2.3
97.10159	2.5
97.26390	0.5
98.98482	4.2
99.08081	1.3
105.07020	5.0
106.07410	0.9
107.08607	4.7
109.10159	11.5
111.08035	0.9
117.07011	0.6
119.08572	3.0
121.10124	3.1
122.10438	0.6
123.08055	0.7
123.11710	3.1
124.01674	0.6
133.10110	2.2
135.11705	2.9
147.11678	2.6
149.13304	1.4
151.11217	1.2
155.01091	1.4
161.13280	2.0
163.14839	0.5
175.04494	0.6
179.14357	1.0
180.14653	2.1
183.21616	0.5
189.07376	0.6
195.36290	0.6
216.06439	1.0
222.95348	0.6
235.20615	1.2
261.22195	1.7
278.21906	3.4
278.24792	2.4
309.24234	100.0
310.24667	5.0
325.96109	0.6
335.25717	2.3
351.18402	2.1
352.18802	0.8
352.25595	4.9
369.19547	1.1
409.13849	0.7
450.21106	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	450.264
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36298	0.7
53.70235	0.6
55.05490	2.3
57.07082	3.6
57.97533	0.7
58.07396	1.1
65.03944	1.7
67.05491	1.7
69.07066	1.8
70.53554	1.4
77.03947	0.9
79.05495	10.8
80.05022	1.3
81.07061	11.3
83.04988	9.0
84.05308	2.7
91.05477	4.9
92.04987	2.7
93.07049	5.7
94.06548	0.9
94.33131	0.8
95.04954	2.0
95.08609	3.7
97.06525	3.9
98.98472	1.6
105.04497	0.7
105.07042	10.9
106.06580	1.3
107.04957	3.7
107.08586	4.7
109.06538	1.9
109.10149	3.0
118.06519	2.9
119.04897	0.8
119.08568	6.8
120.04480	22.7
121.10147	3.6
123.11687	1.2
125.05998	18.2
130.06485	1.0
131.08542	4.3
132.04448	0.9
132.08066	1.1
133.06413	0.9
133.10176	3.6
134.06030	5.5
135.11700	1.2
137.06000	3.0
142.06483	0.8
143.08603	1.1
145.10133	4.9
146.06023	1.9
147.08075	1.5
147.11734	3.6
148.03940	100.0
148.12091	0.8
149.04295	2.6
150.05487	2.3
151.01619	1.1
156.08070	1.2
157.10094	2.1
159.11740	1.9
161.09642	1.5
161.13332	1.2
162.05508	54.2
163.05905	1.0
171.11681	1.1
173.13312	2.8
175.01564	1.3
175.14857	3.3
176.07077	3.2
177.16370	2.6
184.07498	1.7
185.13281	2.5
186.05534	2.0
187.06253	1.1
187.14813	1.1
188.07069	5.6
190.08598	0.9
198.09175	1.8
199.14833	0.8
200.07048	2.9
201.07861	3.1
202.08632	3.7
202.12227	1.3
203.14351	5.5
203.18094	1.3
212.07175	1.3
214.08618	5.7
216.10190	1.4
221.15314	1.2
226.08572	0.9
228.10207	3.3
230.11768	6.1
243.45879	0.8
255.21104	1.7
258.14984	1.3
337.02454	3.8
338.02603	5.1
365.51678	0.8
376.26425	2.8
393.08731	4.9
394.09009	15.4
404.25845	34.6
405.26212	2.8
411.55313	0.9
432.25366	23.0
433.25696	2.5
450.16113	1.5
450.21088	1.3
450.26471	25.3
450.37833	3.1
451.26547	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	450.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
53.03956	0.9
55.05511	4.1
57.03460	1.1
57.07077	1.2
61.02927	3.8
62.06085	3.1
67.05489	3.2
69.03432	3.9
69.07061	8.2
69.52277	1.0
70.06587	1.5
71.04993	4.3
71.47050	1.3
72.08163	1.1
73.02914	1.5
79.05496	2.6
79.62109	0.9
81.07061	6.6
83.04980	3.8
83.08624	1.6
83.23486	1.1
84.08109	1.1
85.02902	9.8
85.06559	2.4
91.05463	6.1
93.07043	11.9
95.04960	4.3
95.08601	8.5
97.02883	2.5
97.06519	2.3
99.08095	1.4
105.07031	18.5
107.04987	8.0
107.08611	8.2
109.10176	6.9
111.08088	1.6
113.06004	1.9
115.07583	4.7
117.07002	2.6
119.04922	2.0
119.08583	31.0
121.06503	2.4
121.10107	6.4
123.08052	2.5
127.03917	1.8
128.06284	1.1
131.08615	5.4
133.06482	2.1
133.10120	30.5
135.04422	3.9
135.11694	4.1
137.05960	10.9
137.09630	4.4
140.25148	1.2
142.07803	1.6
143.08557	4.1
145.04961	2.5
145.10118	8.5
147.08055	1.2
147.11690	27.6
149.13252	1.3
155.07156	1.6
157.10156	8.4
158.10713	1.2
159.11703	12.1
161.05966	2.5
161.09634	3.4
167.07002	8.7
167.10728	1.6
169.10234	1.2
171.11710	3.6
173.13290	5.3
175.14818	100.0
176.15140	3.7
179.10629	2.6
181.04933	1.7
184.12518	1.9
187.14796	7.4
189.16414	1.5
193.08595	2.8
193.15875	13.5
199.14796	15.1
205.15878	2.9
217.15866	27.5
227.09210	4.3
235.16927	38.4
236.17307	1.3
253.08629	2.0
253.18080	1.4
271.09619	2.6
288.12442	1.6
289.15463	2.1
299.10245	1.3
390.61465	1.0
403.13406	1.0
450.16766	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	450.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01869	10.0
55.05502	15.0
57.03428	4.6
67.05505	14.3
69.03414	13.6
69.07069	21.0
71.04996	5.9
72.73905	2.3
73.02911	3.6
79.05495	9.9
81.03416	8.9
81.07061	45.5
83.04984	15.1
83.08617	7.8
84.04495	9.1
85.02908	38.5
85.06557	13.6
86.09657	2.8
87.00813	11.1
91.05492	11.4
93.07047	36.4
94.09253	2.3
95.04973	8.9
95.08614	47.9
97.02898	12.1
97.06519	8.2
97.10169	4.5
99.04446	4.2
102.05531	3.8
105.01857	5.4
105.07036	36.3
107.04976	2.8
107.08588	22.4
109.02872	9.3
109.06576	6.0
109.10183	17.5
111.08089	40.5
111.11697	4.3
119.08575	24.7
120.08112	4.3
120.43380	2.8
121.10154	21.4
123.08102	4.2
123.11713	9.0
125.09622	5.3
127.03932	24.4
129.05472	20.8
130.05037	3.3
131.08575	4.1
133.10155	14.6
135.11702	8.9
137.13234	12.8
139.07516	11.5
145.04950	10.5
145.10100	3.3
147.11684	4.8
148.06047	5.0
149.09705	2.4
149.13269	19.8
151.14835	3.2
157.08609	100.0
157.09901	5.9
159.02905	4.3
159.11673	8.1
161.13271	67.8
165.09106	3.6
167.10692	3.0
167.14378	15.8
179.14349	17.6
185.15401	8.1
189.16354	7.1
196.75769	2.7
217.15790	12.4
223.06096	2.8
224.06374	5.3
231.05058	2.9
235.16922	31.2
248.07622	3.6
252.23193	6.7
253.17958	10.0
270.24374	6.6
288.25333	15.6
303.23196	5.5
315.10812	4.1
358.95914	2.5
450.21277	6.1
450.30319	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	450.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44967	0.8
57.07078	6.9
65.03938	1.9
69.80681	2.3
70.06590	14.3
71.08632	2.8
85.10203	1.3
88.07629	18.3
88.08126	1.4
92.27014	0.9
102.09180	13.0
114.39026	0.8
136.71838	0.8
139.03891	1.4
149.02341	71.5
149.03394	4.5
150.02704	1.4
154.43205	0.8
162.05511	0.9
193.04956	76.0
194.05284	2.4
196.25768	1.0
230.11836	1.6
281.17609	1.0
284.29486	35.1
285.30038	2.0
450.32153	100.0
451.32632	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	450.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88792	1.4
55.05501	3.0
67.05501	3.0
69.07055	6.9
70.70473	1.6
71.04993	100.0
72.64047	1.2
79.05492	9.6
81.07071	11.5
83.08592	2.6
91.05476	3.5
93.07035	5.5
95.08602	11.7
97.06525	3.2
97.10175	6.2
98.98486	1.7
105.07054	8.1
107.08577	5.4
109.10153	5.1
113.05989	4.7
119.08561	6.4
121.10104	3.2
123.11736	1.5
125.05979	13.7
131.07047	56.5
131.08594	3.5
132.07431	1.4
133.10178	7.3
135.11697	1.8
137.05959	1.8
145.10124	5.1
147.11682	4.5
149.13264	1.9
151.14743	1.3
159.11653	1.8
161.09625	2.9
161.13263	2.5
173.13278	3.6
175.11197	5.0
175.14822	3.8
187.14819	1.6
201.16348	1.4
203.14297	5.9
219.13806	3.5
221.15349	7.8
233.15282	1.4
257.22736	2.9
285.22128	60.2
286.22397	3.9
303.22995	3.2
450.26761	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67695	1.6
60.67560	1.6
90.81314	1.6
94.93023	24.8
96.92843	5.1
106.92306	1.5
107.04971	7.1
108.05305	1.7
112.89612	73.2
114.89365	25.1
135.04366	2.1
136.94035	2.5
137.05968	8.9
138.06285	1.8
194.52467	1.5
203.08350	1.4
218.92224	8.1
226.86787	5.3
244.90160	39.1
246.89980	9.2
272.09964	2.2
278.95258	4.9
284.89432	1.8
290.89035	3.1
294.96991	9.5
300.82822	3.3
302.90738	4.7
306.97073	6.0
451.04861	100.0
451.17920	4.8
452.05096	5.9
465.50024	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58794	1.9
55.01876	3.0
55.05494	1.9
57.03432	7.7
65.03925	3.0
67.05499	2.1
68.99782	9.3
69.03430	2.9
69.07068	1.6
69.66515	1.6
69.66838	4.6
70.06595	4.2
71.04977	2.7
72.08167	11.8
73.02929	3.1
74.15312	1.5
76.89098	1.7
79.05479	3.0
81.03411	5.9
81.07047	7.9
83.04981	2.8
85.02903	25.5
86.09708	7.8
87.00857	3.1
88.55927	1.5
91.05489	4.7
93.07037	5.7
95.04959	5.5
97.02879	5.7
99.04443	1.7
103.03916	2.2
103.05463	1.9
105.01869	3.3
105.07055	2.5
107.04917	2.0
107.08633	2.6
109.02857	5.5
111.04431	2.5
117.03387	2.8
118.05480	1.5
119.04914	2.3
120.08111	27.1
120.08913	3.3
121.02872	76.7
121.03773	3.8
121.10157	3.2
123.04420	11.4
123.11704	5.0
123.76884	1.7
125.02366	4.8
127.03912	5.9
129.10257	3.7
131.04962	2.3
133.10144	2.9
135.04395	7.9
136.07568	6.3
137.05984	2.1
139.03886	5.1
145.02861	2.8
147.04478	2.6
149.02399	3.3
151.03885	4.4
151.11168	4.7
153.01819	14.8
163.03893	36.4
165.01840	35.0
171.02951	4.1
175.03748	2.2
177.01819	17.0
177.05428	3.2
179.03403	3.6
183.02881	20.0
187.03784	1.7
189.01859	5.8
191.03407	24.0
193.05009	2.7
195.02887	100.0
196.03276	3.4
203.03481	3.6
205.04976	8.3
207.02904	3.1
209.00757	2.3
209.04422	3.5
213.03729	2.1
215.03432	4.6
217.05008	3.1
219.00803	3.5
219.02885	48.2
221.04346	1.8
231.02881	35.4
233.04449	3.6
243.02881	7.8
249.03951	13.3
249.15800	1.9
261.03912	31.3
279.05048	8.8
283.05975	6.6
289.07062	11.4
295.05817	3.4
295.12894	8.0
297.05789	8.3
301.07068	33.9
313.07086	26.6
325.06992	1.9
331.08118	23.2
355.08051	32.9
356.08432	3.3
367.08173	21.1
379.07965	6.9
385.09058	3.9
397.09265	13.0
407.26215	4.0
415.10251	15.4
433.11179	3.0
451.17407	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.4
55.05513	3.0
55.63545	1.5
57.03437	9.1
64.90669	1.7
65.03941	2.2
66.35262	1.6
67.05509	2.6
67.78930	1.6
68.99784	6.2
69.03438	4.9
70.06606	3.7
72.08149	11.5
79.05510	2.8
81.03419	6.1
81.07054	7.0
85.02901	23.3
86.09718	5.7
91.05464	4.4
91.54862	1.7
93.07027	4.1
95.05016	4.1
95.08643	2.3
97.02889	5.6
103.03931	2.0
105.01868	3.6
105.07040	1.8
105.12942	1.6
107.04984	1.7
107.08604	3.3
109.02883	7.3
109.10135	2.6
117.03448	2.5
119.04960	2.3
120.08104	27.8
121.02872	64.6
121.72433	1.6
123.04451	9.0
123.11703	4.4
125.02291	2.2
127.03924	5.4
129.10265	2.5
133.10155	3.5
135.04431	6.7
136.07594	4.6
137.06013	2.7
139.03915	4.8
145.02856	3.1
147.04414	3.0
148.06078	1.5
151.03908	4.4
151.11206	4.3
153.01863	9.7
163.03914	35.6
165.01828	39.0
171.02901	3.7
175.03915	2.3
177.01828	17.3
177.05504	2.6
179.03421	2.4
183.02922	19.5
187.03902	2.9
189.01852	5.9
189.05428	1.9
191.03389	26.6
193.04968	3.8
195.02888	100.0
196.03246	1.8
203.03409	4.9
205.04941	7.9
207.02844	4.1
209.04437	2.4
215.03394	4.7
219.02892	46.8
231.02914	27.8
233.04448	2.7
235.05902	1.6
237.03934	3.2
243.02956	6.6
249.03906	17.0
261.03973	29.0
265.15567	2.3
271.06094	1.7
279.05042	7.1
283.06036	6.2
289.07101	10.2
295.06131	3.2
295.12927	8.7
297.06027	10.0
300.06021	2.6
301.07086	42.9
302.07245	1.8
313.03662	2.8
313.07019	24.2
313.10330	1.9
331.08102	23.8
332.08725	1.8
337.06976	2.8
355.08145	36.8
356.08401	3.6
367.08121	24.7
379.07828	9.6
385.08841	3.4
397.09262	15.0
408.88797	1.7
415.10172	16.6
433.11093	4.7
451.17542	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2305
Annotation	Arg Phe Glu
Peak:m/z	Relative Intensity
51.57391	1.0
69.07087	1.2
85.94900	1.2
93.91376	1.1
99.61877	1.1
109.10184	1.2
121.10168	1.3
145.10143	1.5
206.02681	1.1
289.14014	11.1
310.63980	1.3
310.98752	1.1
451.23184	100.0
452.23648	6.4
470.17468	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2308
Annotation	Arg Phe Glu
Peak:m/z	Relative Intensity
55.05499	0.3
57.02064	0.2
58.18431	0.2
66.93911	0.2
67.05518	0.4
69.03436	0.3
69.07069	0.5
71.45754	0.2
79.05514	0.2
80.06573	0.2
81.03442	0.4
81.07054	0.9
83.08630	0.3
84.04519	0.6
85.02922	0.6
91.05500	0.8
91.38875	0.3
93.07032	0.7
95.08616	1.1
97.06512	0.3
102.05518	0.3
105.07031	1.1
107.08594	0.8
109.02858	0.5
109.10156	0.7
110.02583	0.2
117.07027	0.3
119.08584	1.8
121.10123	0.4
127.03894	0.6
129.01797	0.3
131.07610	0.2
131.08557	0.5
133.10120	1.3
135.11725	0.3
145.10121	0.5
147.11682	0.5
148.06079	0.3
157.10109	0.3
159.11760	0.4
169.15886	0.4
173.13330	0.2
175.14848	0.7
201.03773	1.2
203.05324	0.6
203.14308	3.2
224.92824	0.3
231.17424	0.3
285.09409	0.7
289.17847	0.9
297.14355	0.5
451.23047	100.0
452.23422	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	451.237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92773	0.3
55.05512	0.7
56.96569	23.2
57.03435	0.5
57.07068	0.8
58.62577	0.3
67.05497	1.3
69.07075	0.9
69.14406	0.9
69.14808	0.7
71.08635	1.0
71.95260	1.5
72.96042	0.7
74.35934	0.3
74.97618	0.4
77.10184	0.3
79.05507	0.6
81.07055	0.9
84.96040	0.7
85.10157	0.4
89.06053	1.6
91.05479	0.4
93.07024	0.3
95.08600	1.0
97.96802	3.0
98.97601	2.3
98.98463	0.8
105.00182	0.6
105.07091	0.4
109.10124	0.5
110.97561	3.4
112.99124	0.4
112.99973	0.6
115.97809	1.8
116.98599	1.5
119.01701	0.4
123.01202	0.9
124.99143	0.4
126.92207	0.3
128.98610	5.5
131.00156	0.9
133.08611	0.4
133.98892	0.7
136.99994	0.6
137.02754	1.3
138.99402	0.4
143.00160	1.2
146.99631	2.9
149.01221	0.8
149.02769	0.3
151.04344	0.7
152.00163	0.7
155.01042	0.9
155.03773	0.6
161.01202	1.2
162.30858	0.3
165.00745	0.3
165.05925	0.5
167.02255	0.4
169.05342	0.8
170.01216	0.4
171.03246	1.3
175.02795	0.4
175.40927	0.3
181.05396	0.4
183.06947	0.3
185.04970	0.7
185.08240	0.3
189.04329	0.9
197.08514	0.4
203.05843	0.6
204.06755	0.6
208.06267	0.6
209.08490	0.4
217.07484	0.7
222.07736	0.4
223.10045	0.4
225.08092	0.4
227.09567	1.3
239.09547	0.7
245.10600	1.3
263.09396	0.4
263.23654	0.4
277.11053	0.5
279.12622	1.3
291.12613	0.4
297.13812	0.5
315.16324	0.8
317.17874	100.0
318.18222	6.4
319.19394	1.2
333.17331	0.9
335.18927	31.8
336.19257	1.6
337.27328	0.6
339.27881	0.7
353.19858	0.7
358.20547	13.2
359.20773	0.9
361.20514	0.6
373.20386	0.5
377.19678	0.4
391.21521	11.3
392.21689	1.0
410.19485	0.4
451.23032	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05513	15.9
57.03438	11.5
57.07077	8.8
66.70073	0.9
67.05499	12.5
69.07066	23.8
71.04993	1.4
71.08641	4.0
72.79504	1.0
79.05500	6.5
81.07056	15.9
82.59871	1.0
83.08613	18.1
85.10194	2.0
89.06029	3.7
93.07040	7.7
95.08606	15.8
97.06536	3.1
97.10166	11.0
107.08575	4.6
109.10138	5.3
111.08087	2.7
111.11718	2.7
113.00012	49.4
121.10115	5.2
133.08672	2.3
135.11670	4.7
137.13210	1.0
139.11136	1.2
149.13248	1.6
165.16331	1.1
169.02605	36.8
187.03658	2.3
214.58183	0.9
217.40887	0.8
239.14760	2.3
247.24171	1.1
265.25311	1.9
323.44943	1.1
336.13177	0.9
339.28931	100.0
340.29312	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	451.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.6
57.03441	7.3
57.07076	6.6
61.31702	0.7
66.95580	0.7
67.05502	9.4
69.07067	17.1
69.10973	5.1
71.04987	0.9
71.08652	3.6
71.09020	0.7
79.05496	4.5
81.07056	12.2
83.08620	12.8
85.10192	1.6
89.06022	3.4
91.05450	0.8
93.07039	7.2
95.08606	13.3
97.06545	2.1
97.10165	7.8
99.08087	1.2
107.08585	3.1
109.10159	5.4
111.08064	0.8
111.11734	2.3
113.00017	37.7
116.07078	3.1
121.10151	6.5
123.11719	1.3
125.09624	0.9
133.08614	2.3
135.11699	4.7
144.08112	3.3
149.13234	2.0
163.14824	1.1
169.02620	30.8
177.16479	0.8
187.03696	2.4
239.14798	4.3
247.24214	1.5
265.25314	2.9
339.28937	100.0
340.29239	4.9
433.26874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70648	6.5
55.05513	25.4
57.07076	30.1
59.05043	6.7
64.43127	7.1
67.05509	45.8
69.03435	8.6
69.07068	23.9
71.04990	9.6
71.08620	8.3
71.46866	8.3
74.09689	8.4
79.05496	18.3
81.07064	44.7
83.08632	18.4
85.06547	9.0
85.39251	7.5
89.06039	89.2
91.05486	26.9
93.07057	45.1
95.04970	76.4
95.08623	35.4
105.07057	51.3
107.08601	38.1
109.06509	94.9
109.10165	100.0
111.08067	13.0
117.06992	16.7
119.08578	55.1
121.06545	18.1
121.10146	17.4
123.08082	25.6
123.11768	11.7
125.05997	8.9
127.11234	10.5
128.06224	10.7
129.06938	10.6
131.08569	28.8
133.08611	24.6
133.10132	14.9
135.08064	32.2
135.11714	11.5
137.06007	28.0
137.09605	12.2
142.07741	11.8
143.08601	22.6
145.10133	35.2
147.08064	23.1
147.11714	18.7
149.02078	11.7
149.09637	8.6
151.07584	21.3
155.08606	14.5
156.09393	12.1
157.10146	21.2
159.08099	11.3
159.11777	17.3
161.09563	8.9
165.09088	11.0
165.12744	72.2
167.08694	11.0
171.11617	14.9
173.09602	10.3
177.11205	10.9
181.08601	8.8
181.10150	14.1
183.11676	10.3
185.09634	11.9
189.29668	7.9
199.63228	8.2
209.13361	11.4
215.14337	8.3
221.15402	46.2
225.12738	9.4
314.48450	9.1
325.21393	8.7
424.10245	8.9
451.23239	8.2
451.28876	60.4
451.34674	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	451.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	48.8
57.07083	22.1
66.96990	3.8
67.05507	17.7
69.03437	3.8
69.07074	13.5
69.70387	7.2
69.70777	9.0
71.05000	5.8
71.08636	13.4
79.05484	25.0
81.07053	33.2
83.04978	5.7
83.08615	32.5
85.06544	11.7
85.10176	11.8
89.06042	24.6
91.05483	28.3
91.05970	5.2
93.07051	40.5
95.04973	100.0
95.05535	7.9
95.08614	31.7
97.06557	8.1
97.61716	4.2
99.04431	8.0
105.07040	41.2
107.08616	43.1
109.05765	5.2
109.06525	92.3
109.10162	22.1
111.08124	5.9
115.05476	5.7
117.06975	7.7
119.08586	30.2
120.32811	4.9
121.06535	16.4
121.10164	20.1
123.08089	13.7
123.11728	7.9
129.06981	6.3
130.07748	3.9
131.08595	15.1
133.06569	5.8
133.08565	12.1
133.10138	8.4
135.08040	28.7
135.11688	13.6
137.09650	6.7
139.07549	5.7
141.06978	3.7
142.07860	7.2
143.08560	13.7
145.10100	19.8
147.08060	19.3
147.11674	17.5
149.09677	10.3
155.08594	5.9
156.09338	8.7
157.10153	14.8
159.08022	7.3
159.11691	8.2
161.09612	6.6
163.07567	5.6
163.11148	9.8
165.07010	8.0
165.12755	99.6
165.14037	6.9
167.08565	6.1
168.09322	5.1
169.10149	10.8
171.08086	5.5
171.11678	11.3
173.09576	6.6
175.11166	7.0
179.08524	7.9
181.10159	10.1
183.11746	13.4
185.09561	5.6
187.11145	6.8
191.14291	13.9
193.10133	5.5
195.11775	7.0
197.09590	6.7
197.13297	4.8
199.11263	11.2
209.13409	6.4
209.15367	9.3
211.11177	6.2
213.12767	8.0
221.13332	6.3
223.11006	4.9
239.14795	14.0
282.30905	4.1
285.63916	4.1
324.37814	5.2
435.36707	10.3
451.24118	13.5
451.29144	11.6
451.46048	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	452.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69807	0.9
53.03942	3.6
55.01864	2.0
55.05514	100.0
57.03436	2.7
67.05511	5.4
69.03424	7.0
69.03749	1.2
69.07060	1.8
70.06586	1.5
70.06940	1.1
71.04985	3.0
72.53143	1.0
75.53577	1.0
77.96590	1.1
79.05489	3.7
81.03419	4.3
81.07056	19.7
83.04971	11.8
85.02911	15.9
86.09695	1.5
87.00833	5.4
91.05490	5.0
93.07050	13.5
95.04956	5.8
95.08602	2.5
97.02911	6.1
97.06536	33.3
99.04443	1.7
105.01866	8.1
105.07027	8.6
107.08593	27.6
109.02882	3.4
109.06519	5.0
109.10166	17.0
120.08101	2.1
121.10194	2.0
123.08066	1.5
123.11723	10.9
127.03922	9.1
133.10130	8.6
135.04446	1.5
145.04956	5.0
147.04416	1.2
151.11183	74.4
152.11542	3.1
159.02890	1.9
163.03839	2.7
165.01871	2.0
166.02180	1.9
167.02129	1.4
169.12257	3.2
169.56879	1.2
195.02934	3.3
196.03334	1.1
209.74551	1.2
219.02890	1.2
220.03181	1.1
223.30681	1.3
231.04973	2.3
232.03224	1.3
257.57260	1.2
297.13101	1.1
301.06113	1.4
302.06870	1.9
332.07431	2.1
356.08005	2.3
398.09061	1.5
416.09549	1.3
452.23016	2.9
453.13437	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	452.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
55.05517	15.0
57.03437	6.0
57.07076	7.0
62.06096	27.0
67.05502	12.2
69.07072	18.3
70.52367	0.9
71.08618	2.0
72.94006	0.8
79.05492	4.1
81.07056	11.9
81.24133	1.0
83.08630	10.9
85.06515	1.3
85.10156	1.2
86.09715	1.0
91.05491	1.7
93.07043	6.4
95.08607	9.8
97.06539	2.1
97.10167	6.4
97.61619	1.2
98.06028	1.4
98.98478	7.9
99.93060	1.0
105.07037	0.9
107.08585	3.8
109.10172	4.4
111.08086	3.0
111.11717	2.1
121.10149	6.0
123.11707	2.3
124.01617	1.9
124.82983	1.0
125.09652	1.1
128.56067	0.9
135.11703	4.1
137.13261	1.1
142.93896	0.9
149.13219	1.6
155.01082	6.0
184.07384	1.4
207.06496	1.9
216.06291	2.4
219.21191	2.1
237.22189	4.2
280.26355	13.9
311.25803	100.0
312.26044	4.9
333.20203	1.6
391.22681	4.5
434.26465	3.7
452.27679	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46482	0.5
55.05260	0.9
55.05513	14.8
57.03434	7.2
57.07076	6.3
58.06606	0.9
63.71835	0.5
65.03946	0.6
67.05502	10.6
69.07066	22.6
70.31439	1.3
71.04984	0.9
71.08627	4.1
75.43305	0.5
79.05487	5.2
81.07052	14.3
83.04935	0.6
83.08617	13.0
85.10166	0.9
91.05487	1.1
93.07044	7.2
95.08604	11.9
96.26165	0.5
97.06501	2.5
97.10161	8.6
97.10755	0.9
98.23379	0.8
98.98467	0.6
105.07040	0.8
106.26265	0.6
107.08591	4.3
109.10161	4.0
111.08076	1.6
111.11714	1.7
119.08656	0.8
121.10155	6.6
123.11666	2.8
125.09612	1.0
135.11699	6.0
136.93108	1.3
137.13258	1.5
139.11258	0.6
149.13246	2.3
153.12714	0.8
154.94139	3.5
163.03914	1.4
163.14813	0.7
168.09206	0.6
168.10686	0.6
172.95242	4.5
190.96310	0.9
207.06528	2.0
210.96803	1.4
216.06250	0.7
228.97856	2.3
237.22148	1.4
279.53714	0.5
280.26508	3.2
311.25790	100.0
312.26196	4.4
317.17914	1.5
341.16638	0.5
452.21838	0.7
452.27890	0.7
452.35449	0.9
453.17072	3.5
471.18121	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	452.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21243	1.2
55.05513	13.9
57.03442	6.4
57.07074	5.6
60.11184	1.2
67.05506	10.5
69.07061	16.2
69.09743	1.1
71.08627	3.7
72.08179	1.1
79.05496	3.4
81.07051	12.0
83.04955	1.3
83.08607	11.5
85.06526	1.6
85.10167	2.2
93.07043	6.8
94.23399	1.3
95.08600	11.2
97.06537	3.0
97.10170	7.6
107.08575	3.1
109.06530	1.7
109.10149	3.1
111.08066	1.3
111.11713	2.3
121.10149	4.9
123.11714	1.7
135.11696	4.6
149.13226	2.3
163.03909	2.3
178.10748	1.2
207.06612	1.5
207.93855	1.2
219.21098	2.5
251.11345	1.2
257.13873	1.4
280.26346	4.1
308.19363	1.2
311.25760	100.0
312.26099	4.9
314.06824	1.3
328.96133	1.3
428.34830	1.3
452.35062	3.1
453.16309	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	12.5
57.03439	6.4
57.07073	3.7
58.40925	1.1
65.01488	1.2
67.05511	29.8
69.07072	14.7
71.08650	1.5
78.42555	1.1
79.05493	7.7
81.07061	29.6
83.08626	6.9
85.06546	1.2
89.05988	1.5
91.05492	3.3
93.07053	8.5
95.08614	22.7
97.06519	2.3
97.10180	1.8
98.98476	26.7
99.08074	1.7
105.07055	2.7
105.90041	1.1
107.08644	4.3
107.26818	1.2
109.10169	6.8
111.08065	1.2
111.09872	1.3
116.25365	1.2
119.08618	3.3
121.10146	3.5
123.11750	5.5
133.10147	3.6
135.11761	3.0
137.13229	1.9
147.11739	2.8
149.13287	2.0
151.14908	1.2
155.01053	14.2
161.13260	2.1
161.27515	1.3
173.02161	6.3
175.14780	1.7
179.05730	1.3
205.41016	1.4
208.91104	1.3
245.22636	5.7
263.23724	16.0
292.07315	1.2
324.23004	1.3
337.27386	100.0
338.27808	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	452.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35377	1.3
53.03929	1.5
55.05513	15.8
56.27966	1.3
57.03437	9.4
57.07070	4.2
58.06332	2.5
58.06599	27.8
67.05157	3.0
67.05504	36.9
69.03471	1.4
69.07070	18.7
69.68864	1.3
71.08627	1.6
79.05509	8.1
81.07055	38.0
83.05006	1.4
83.08609	10.2
85.02904	1.1
85.06540	1.6
87.85239	1.3
89.06027	3.4
91.05476	5.4
93.07035	11.1
95.08604	32.2
97.06499	1.5
97.10163	6.2
98.98470	40.9
105.07041	5.9
107.08590	6.7
109.10155	13.4
111.08084	1.4
116.99394	1.2
119.08588	4.6
121.10151	5.1
123.11703	4.9
133.10153	5.3
135.11708	2.6
137.13254	2.8
147.11681	3.5
149.13266	2.7
151.14825	2.0
155.01045	24.1
161.13263	2.8
163.14847	2.6
171.06520	1.4
173.02138	5.5
175.14809	2.5
245.22723	5.6
263.23694	19.7
299.08920	1.6
337.27347	100.0
338.27634	6.1
439.45514	1.5
452.23148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01862	1.6
55.05513	29.8
56.05033	4.9
57.03426	2.4
57.07078	7.4
59.04988	1.0
62.71032	0.5
63.58163	0.6
65.03932	1.6
67.05505	31.7
68.05846	0.9
69.03444	2.9
69.07069	42.5
69.23392	1.8
69.23785	1.1
71.04992	4.8
71.08624	2.5
73.06551	0.5
77.03940	1.2
79.05494	24.4
81.03412	1.3
81.07056	100.0
82.07406	1.3
83.04981	16.9
83.08618	15.6
84.04503	82.8
84.08937	0.7
85.02903	2.9
85.04830	0.9
85.06537	3.6
87.00827	0.7
91.05476	18.7
93.07046	59.4
94.07379	1.4
95.04971	7.5
95.08606	77.2
96.08897	1.0
97.02876	1.5
97.06530	13.0
97.10169	16.8
99.04483	0.8
99.08086	2.3
102.05542	45.9
105.01822	0.6
105.04514	1.6
105.07030	44.0
106.07366	1.0
107.08595	58.7
108.08934	1.5
109.06523	6.0
109.10159	46.3
109.63050	0.6
110.10500	0.9
111.08076	10.8
111.11702	6.0
112.18124	0.5
113.09637	1.2
117.07010	3.6
119.08583	45.5
120.08923	1.6
121.06506	1.1
121.10145	40.5
122.10461	0.8
123.08070	4.1
123.11707	42.9
124.11989	0.8
125.09633	6.9
127.03927	1.5
127.11194	1.4
129.07034	0.8
130.05002	51.3
131.08557	5.1
133.10123	25.3
134.10468	1.0
135.08080	0.8
135.11693	26.9
136.12120	0.7
137.09604	3.9
137.13278	6.9
139.11182	7.7
143.08545	1.2
145.04965	1.2
145.10117	11.7
147.10785	0.7
147.11687	39.4
148.06042	80.5
148.12048	1.1
149.06429	1.1
149.09674	1.3
149.13252	55.5
150.13594	1.2
151.11179	6.5
151.14824	2.0
153.12732	3.4
157.10161	2.8
157.12236	3.1
159.02885	0.6
159.11693	10.0
161.13263	16.3
163.11169	2.8
163.14818	12.3
165.12778	7.8
165.16414	2.0
167.14287	1.8
169.15953	1.6
171.11676	2.1
173.13257	5.0
175.14824	8.6
177.12766	4.3
177.16380	6.8
179.14342	2.8
179.17940	1.0
181.15770	0.9
184.13315	1.2
185.13240	1.3
187.14825	3.7
187.16467	0.7
189.12794	1.3
189.16391	13.7
189.17990	1.2
191.14346	2.3
191.18001	1.4
193.15874	3.9
195.13753	0.9
195.17538	3.0
199.14882	1.9
203.12820	1.3
203.17955	2.3
205.15875	2.2
207.17470	2.3
209.15364	1.5
209.18944	0.7
211.16933	1.7
213.16391	3.3
217.19493	1.2
223.16939	1.5
227.17955	1.1
229.19661	0.8
231.17491	1.0
231.20984	0.6
233.22636	0.7
235.16914	1.4
243.21091	1.5
249.18567	1.1
257.22739	0.7
259.24249	4.6
261.22198	1.8
268.15497	1.9
269.22620	7.9
270.23007	0.7
277.25253	12.4
278.25580	0.7
286.16574	2.1
287.23694	16.4
288.23956	1.2
305.24744	49.7
306.25095	3.9
314.16150	1.7
323.25787	2.9
340.21313	0.7
388.28421	0.8
390.26807	0.7
406.29489	10.5
434.29077	12.0
434.34601	1.3
435.29327	1.1
452.23294	1.3
452.30109	24.9
453.29904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
53.55968	1.3
55.05513	19.3
57.07078	6.5
60.94042	1.3
61.83334	1.3
65.03948	2.2
67.05157	3.2
67.05508	42.7
69.03430	6.6
69.07071	37.7
69.07442	1.8
69.81041	4.9
71.04987	4.9
71.08636	2.5
79.05490	20.8
81.07056	100.0
83.04972	8.2
83.08626	17.2
84.04511	9.9
84.08164	1.3
85.06534	4.5
91.05475	11.7
93.07047	35.1
95.04975	12.0
95.08607	74.7
96.08922	1.9
97.06525	2.7
97.10191	6.1
99.08095	1.6
102.05585	2.6
103.05434	1.6
105.07030	23.5
107.04984	1.9
107.07849	1.9
107.08591	45.4
109.06528	7.7
109.10160	72.9
111.08100	4.2
111.11722	3.4
119.08578	20.3
121.06530	6.9
121.09282	2.4
121.10142	40.0
123.08094	2.3
123.11705	35.8
124.12135	1.8
130.05037	8.0
131.08542	5.4
133.10124	20.8
135.08063	3.9
135.11703	25.0
137.09587	4.4
137.13242	18.6
139.11180	3.2
143.08559	2.3
145.10135	6.2
147.11684	17.4
147.43965	1.6
148.06023	10.0
149.09590	2.1
149.13257	25.1
151.11191	2.7
151.14799	3.1
153.53734	1.7
157.10130	3.7
159.11676	7.2
161.09616	5.5
161.13264	8.6
163.11200	5.2
163.14806	7.2
165.09016	2.0
167.10724	4.0
171.11664	3.6
173.13284	4.9
175.11179	2.3
175.14795	8.0
177.12727	5.1
177.16388	8.0
179.10652	2.8
179.14148	1.5
181.12242	2.9
187.14839	3.6
189.16422	6.6
195.13864	2.4
201.16396	2.2
203.17958	6.6
205.15811	2.6
205.19496	1.8
212.42381	1.8
213.16412	4.8
219.17560	2.6
231.17468	4.9
245.18839	2.1
249.18422	9.8
259.24277	17.4
269.22684	9.3
287.23715	37.0
288.24048	3.3
305.24664	18.2
306.56943	1.8
379.14038	1.9
396.23862	3.0
434.29163	2.3
452.22760	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	452.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36868	5.6
52.39444	6.1
55.05507	18.2
56.96585	9.1
57.07083	23.2
58.03433	5.8
60.92817	6.2
67.05502	12.2
69.07066	29.4
77.44479	6.6
79.05511	24.1
81.07058	45.2
83.08620	14.9
86.09740	7.3
89.06049	27.9
91.05489	16.4
93.07055	13.9
95.04940	6.1
95.08611	39.3
97.06555	12.5
97.10181	14.6
98.98458	11.0
105.07042	26.7
106.83806	6.2
107.04988	10.6
107.08611	10.1
109.10176	14.1
111.04440	14.7
111.59335	5.9
119.08588	19.4
123.53584	6.3
125.05997	100.0
131.08571	7.8
133.08611	7.3
133.10115	16.4
135.83212	7.2
137.05988	12.0
145.10164	11.7
145.12210	8.5
147.11716	16.0
155.01045	8.3
155.07074	12.9
161.09648	27.6
161.13272	9.0
163.13281	13.6
175.11206	24.7
175.14850	9.1
177.12781	16.2
179.10657	14.5
186.26393	6.1
192.76465	6.2
193.12262	11.5
203.14273	23.4
219.13831	15.9
220.13335	20.8
221.15376	50.5
230.21005	6.6
233.15436	7.5
257.22714	9.5
267.21271	8.0
276.19595	19.1
285.22141	90.6
303.23242	33.2
317.17990	17.9
318.18219	57.4
336.19272	20.0
340.18909	9.3
341.03378	6.6
392.21899	10.7
396.25339	10.9
452.22681	8.0
452.32117	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	453.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14869	0.5
59.74615	0.4
62.08303	0.4
63.02367	0.7
63.63005	0.5
69.03400	0.6
69.28732	0.5
70.31558	0.6
70.31860	0.7
72.06767	0.4
79.05494	2.5
79.39989	0.5
79.96337	0.5
89.03919	13.5
95.04942	0.5
107.04955	4.0
117.03380	15.4
118.03640	0.6
119.01894	0.7
120.29789	0.5
121.06483	2.2
123.04427	1.8
135.04417	27.4
136.04794	0.7
137.05995	1.9
138.09160	0.6
139.03923	3.3
145.02837	17.0
147.04536	0.7
154.08488	0.5
155.01923	0.5
163.03906	100.0
164.04208	2.3
165.04121	0.9
165.05495	0.6
171.05020	0.5
183.05009	0.8
185.00902	1.7
193.03473	3.7
195.05101	0.6
199.04675	0.6
203.01845	5.2
221.02959	87.0
222.03151	4.6
229.03471	1.7
237.06035	0.7
239.04015	19.0
240.04295	1.1
244.04514	1.0
247.04520	48.9
248.04770	3.0
257.05261	0.6
261.05942	0.7
263.03979	1.1
265.05569	4.9
270.06174	0.9
273.02579	3.0
291.03577	2.1
291.08737	1.0
309.05298	0.6
310.91238	0.6
317.08484	0.8
319.04626	1.2
321.08228	1.0
337.05563	1.2
339.09601	0.6
347.04010	8.9
365.05081	5.1
366.05377	0.7
377.50314	0.5
383.06216	4.0
401.07248	2.6
453.13687	45.4
454.13879	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03941	0.7
55.01879	1.2
57.03444	0.6
58.19439	0.3
64.55508	0.3
65.03935	0.7
67.05501	1.5
68.99784	1.1
69.03439	1.4
70.06615	0.3
70.46096	0.6
77.03947	0.3
81.03414	0.8
83.04981	1.0
85.02902	4.9
86.09782	0.3
86.67326	0.3
87.43832	0.3
91.05481	1.6
93.03413	1.1
95.04966	2.5
97.02875	1.7
98.22796	0.4
99.04448	0.3
105.03402	0.5
107.04932	0.7
109.02850	0.7
111.04449	2.2
115.05454	0.9
117.03372	0.5
119.04942	5.1
123.04424	53.9
124.04759	0.7
127.03914	1.6
133.06468	0.6
135.04419	1.6
137.02267	0.4
137.06010	0.7
139.03893	100.0
140.04225	1.8
142.35518	0.4
143.04913	1.4
145.04909	0.4
147.04399	17.6
148.04741	0.4
151.03909	4.0
153.05429	1.0
158.30287	0.3
159.04460	0.4
161.05977	5.5
163.03914	4.2
165.05472	15.3
169.04968	1.8
177.05452	0.9
179.06981	2.3
181.04915	0.9
189.05405	1.5
200.09300	0.5
205.05032	0.5
207.06514	4.1
214.58914	0.3
218.99577	0.4
221.02940	1.5
237.00708	1.8
247.04489	0.6
249.07718	0.5
255.01784	0.8
272.11008	0.4
273.07407	2.1
284.02087	0.3
290.19592	0.3
291.08612	29.6
292.08936	1.0
296.45810	0.3
351.14853	0.3
388.41992	0.3
439.19489	0.3
439.45950	0.5
453.13712	1.6
464.54785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01877	1.4
57.03447	0.5
63.41071	0.4
65.03945	0.7
67.05508	1.0
68.99800	1.2
69.03436	1.4
69.19113	0.8
69.19522	1.4
81.03436	0.8
83.04980	1.0
85.02910	3.8
89.03901	0.5
91.05481	1.7
92.34035	0.4
93.03383	1.0
95.04975	2.0
97.02891	1.6
99.04506	0.4
107.04945	0.7
109.02880	0.5
111.03771	0.4
111.04430	1.9
115.05479	0.6
117.03408	1.0
119.04945	5.2
123.04430	59.9
124.04744	1.0
125.65144	0.4
127.03909	1.6
131.04886	0.4
133.06551	0.5
135.04416	2.0
137.02348	0.5
137.05994	1.0
139.03900	100.0
140.04251	1.5
141.22879	0.4
142.08604	0.4
143.04924	2.1
144.97964	0.5
145.02844	0.7
145.04930	0.7
147.04410	20.6
148.04759	0.6
151.03891	2.7
153.05429	0.8
161.05975	6.1
163.03896	6.4
165.05486	15.8
169.04982	2.1
177.05450	0.9
179.07065	2.7
181.04915	1.1
189.05435	1.8
200.09352	0.4
205.04973	0.4
207.06520	6.6
221.03032	2.4
237.00679	1.4
239.04118	0.6
247.04471	0.5
249.07516	0.5
255.01768	1.0
273.07623	2.9
291.08627	37.5
292.08835	0.9
349.83173	0.4
453.07776	0.4
453.13202	2.2
453.19049	0.6
454.98767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1733
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52249	0.8
60.84135	0.7
63.92142	0.7
65.24269	0.7
71.45230	0.7
86.09688	0.8
104.81973	0.7
181.05008	0.8
184.07324	2.6
201.05399	1.1
261.51895	0.9
270.85718	0.7
305.08578	0.8
307.11526	2.0
445.83224	0.7
446.91397	0.8
453.17288	100.0
454.17447	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88858	1.6
51.62695	1.4
51.71995	1.5
53.63792	1.7
55.05518	12.9
56.04779	3.6
56.05037	50.2
61.01151	46.8
62.40350	1.7
68.40837	1.6
69.12792	4.1
69.13193	9.8
70.02958	10.7
70.06609	2.5
70.07063	1.7
80.50771	1.7
82.06559	2.1
83.08617	10.5
86.09707	11.9
87.05592	86.8
88.03996	2.4
91.05483	26.4
93.13747	2.0
98.05467	2.6
98.06056	25.6
100.07617	2.9
100.11256	61.1
103.05456	8.5
104.05331	100.0
107.04949	2.2
111.04440	7.8
112.07586	2.1
112.11256	2.0
112.95150	1.7
120.08105	39.4
120.98015	2.0
128.07077	6.5
130.06520	4.5
131.04907	5.3
139.08646	4.0
140.07042	2.8
144.07983	3.3
146.06342	64.7
147.09238	2.1
149.05994	5.1
154.06496	2.1
157.06435	3.2
166.08638	20.7
172.07533	10.2
173.07439	4.5
174.05838	50.2
175.08669	28.9
182.06038	7.2
182.13892	2.8
182.15384	22.0
184.07370	8.9
191.07143	2.0
200.07057	42.3
201.05360	23.9
203.08073	1.8
209.16516	17.0
210.14902	18.8
217.09650	2.5
221.09203	16.9
226.19043	8.6
234.06793	1.8
234.12425	7.3
235.07594	3.4
237.09038	2.2
245.09283	5.8
246.07571	18.5
246.09344	1.6
256.06116	16.0
262.11890	7.5
263.07370	3.0
263.10245	38.6
265.08548	3.5
280.07211	2.5
280.12909	39.5
288.10181	10.8
291.06613	4.4
323.09094	11.9
326.27994	3.2
329.14969	3.3
336.22617	3.1
435.33365	20.5
436.17526	3.1
453.20499	27.7
453.34335	90.7
454.34912	2.8
465.77710	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1891
Annotation	Ligulacephalin B
Peak:m/z	Relative Intensity
50.04197	5.0
55.05513	10.0
56.96566	9.2
57.56933	4.7
79.05492	8.2
81.07054	16.2
83.08617	5.8
91.05487	7.0
93.07044	7.9
93.93021	4.8
100.11264	20.7
105.07070	10.5
108.82725	4.8
112.54523	4.5
116.96780	4.4
120.08145	6.1
125.05991	10.9
133.10194	5.1
158.94156	4.4
161.05876	4.9
164.07162	6.7
182.15401	13.2
190.87711	4.8
201.09227	5.1
203.14340	6.5
209.16519	7.9
210.14900	12.0
237.07780	5.5
275.49802	5.0
291.12848	22.7
309.13739	18.4
333.13724	25.3
453.13409	16.4
453.18924	100.0
453.28336	9.4
453.34415	22.6
454.29303	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	453.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
65.03942	0.9
69.07030	0.4
69.46849	1.2
72.08154	18.1
78.10114	0.3
81.07035	0.6
83.08623	0.6
84.08143	8.8
85.02901	0.5
89.03989	0.4
89.94139	0.3
91.04935	0.7
91.05477	9.2
95.04939	0.4
95.08580	0.4
96.08100	0.4
100.11266	3.6
101.10764	0.6
109.02898	0.4
109.10117	0.3
111.04376	0.4
114.09168	1.7
117.03391	1.5
119.04944	23.7
120.05313	0.5
127.03864	0.4
127.08667	0.9
130.98805	0.3
143.11803	0.9
144.10205	14.6
145.02844	3.6
147.04405	100.0
148.04739	2.1
149.05978	0.4
161.11502	0.7
161.12852	15.0
177.05455	7.6
182.15364	1.0
187.10777	0.5
204.01183	0.3
209.16451	1.5
210.14899	1.4
218.11755	3.2
232.09743	0.5
247.14462	2.1
260.12805	0.7
265.08591	0.4
277.15515	1.6
291.15591	0.7
307.16513	72.0
308.16837	2.4
370.05551	0.3
393.17502	0.4
435.33237	1.0
444.33725	0.4
452.30307	0.3
453.11859	0.4
453.13812	0.4
453.20770	7.7
453.34235	5.1
454.21063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2104
Annotation	Asp Arg Tyr
Peak:m/z	Relative Intensity
55.24408	0.5
60.04032	0.5
64.67234	0.4
67.66058	0.4
69.70741	1.3
69.71133	1.0
71.73373	0.4
72.08150	0.6
80.60513	0.4
84.08140	1.1
88.56678	0.5
91.05490	1.6
98.22826	0.7
106.91377	0.6
107.76637	0.4
112.11248	1.2
119.04937	4.9
123.04408	0.7
130.12291	5.6
147.04414	11.8
154.18642	0.4
167.07199	0.8
178.04970	1.7
181.04964	1.0
190.05043	0.9
195.62384	0.6
198.09201	0.5
222.60162	0.5
225.81905	0.5
228.06590	0.5
232.09673	7.8
274.10837	0.7
276.16037	0.6
286.10785	0.6
291.13162	0.6
307.16586	1.0
403.59445	0.5
453.20895	100.0
454.21097	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	454.2336
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
51.77067	0.4
55.05492	0.6
58.06593	1.0
58.11337	0.4
65.03924	0.6
69.03410	0.7
69.07071	0.8
70.06590	0.5
71.05000	0.5
71.46470	0.4
72.08156	10.1
74.52719	0.4
75.09247	0.8
79.05478	0.5
81.03419	0.5
81.07046	0.8
84.08173	1.7
84.08585	0.4
85.02895	1.4
87.00815	0.5
89.03896	2.2
91.05479	5.5
95.08609	0.4
97.02849	0.8
99.04395	0.5
105.01863	0.9
107.04942	1.3
107.08527	0.4
109.02863	0.5
109.10172	0.4
110.07184	0.3
110.63138	0.4
112.11237	4.9
117.03376	3.3
119.04945	14.2
120.05264	0.6
127.03937	1.2
127.11170	1.2
129.13905	2.5
134.05942	0.5
135.04416	7.4
135.11688	1.6
136.07571	0.4
141.12714	0.8
142.02838	0.4
145.02861	7.4
146.06052	0.4
146.16534	1.5
147.04407	84.9
148.04770	2.5
151.81032	0.4
153.12735	2.6
155.11775	1.2
163.03900	57.4
164.04211	1.3
171.13805	2.7
172.14331	0.7
187.06015	0.4
203.11807	0.5
204.10199	46.6
205.10574	1.4
218.11789	2.8
219.11331	0.7
220.09692	25.7
221.10081	0.5
221.12863	0.6
234.11230	3.7
275.17532	3.1
290.18686	0.8
291.17007	2.4
292.20187	8.6
292.23270	0.8
293.13702	0.7
308.19684	6.5
308.22888	0.6
436.22290	0.7
437.21078	1.4
454.23380	100.0
455.23883	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	454.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71677	0.7
52.72408	0.8
55.05496	1.0
58.06577	2.7
59.68177	0.7
65.03917	0.8
69.03443	1.0
69.47227	2.3
70.06565	2.5
72.07796	1.3
72.08154	18.9
75.09195	0.8
84.08139	5.0
85.02892	0.8
86.09706	1.8
89.03902	2.1
91.05490	7.8
95.08585	2.8
104.10708	1.0
107.04939	1.3
112.11242	9.7
117.03354	2.8
119.04941	22.5
119.08548	0.8
129.13869	4.3
135.04401	7.0
137.09566	1.4
138.05362	0.8
145.02843	8.1
146.16519	3.5
147.04405	100.0
148.04767	3.6
149.09679	0.8
155.11794	1.9
163.03902	66.8
164.04231	1.7
184.07336	3.0
189.12752	1.8
199.07513	2.7
204.10199	51.7
205.10530	1.5
207.13808	2.1
220.09752	2.0
221.12881	1.2
234.11250	14.1
251.13942	1.2
263.13968	1.2
265.70316	0.7
275.17499	2.5
290.18652	1.3
291.17010	4.2
292.20206	7.8
293.14880	1.4
297.69531	0.7
308.19693	17.8
323.93161	0.7
406.49289	0.7
436.22580	0.8
437.20773	14.2
454.23395	88.7
455.12894	2.0
455.23477	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	454.2339
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
55.05508	3.3
58.06604	17.3
69.03436	1.5
70.06586	9.7
72.08150	26.0
74.22303	2.0
74.83360	1.9
81.27013	1.8
82.06560	8.9
84.08146	29.3
86.09711	2.9
87.40430	1.9
91.05486	3.1
95.04960	2.2
98.06056	9.0
101.19357	2.1
104.07124	2.2
105.07070	1.9
107.04953	21.7
110.09675	2.5
111.57461	2.4
112.11234	30.1
112.11906	2.2
113.07108	11.7
119.04970	4.5
121.02895	5.6
121.06515	2.2
125.09652	7.0
127.08728	2.8
129.13925	8.0
130.12282	2.4
133.06535	7.6
135.04448	3.2
137.06055	1.9
145.06496	2.6
146.16624	1.9
147.04451	5.6
155.11792	16.1
161.06032	2.7
163.03928	4.9
167.07095	6.1
172.14491	3.1
176.10780	2.5
187.03954	3.0
188.07158	6.2
191.08603	3.3
198.12372	16.6
199.07541	66.2
200.07939	2.0
209.12923	2.9
210.13780	1.9
212.17686	3.1
216.06662	2.3
219.08180	5.4
237.09125	8.6
238.13223	5.7
238.15617	12.4
239.13945	5.1
244.09679	2.1
255.15845	3.1
256.14221	2.5
261.12314	2.2
263.07111	2.5
265.08652	12.1
315.17120	9.0
322.14676	3.2
332.19925	3.0
342.18326	5.9
410.24332	4.1
419.20062	3.0
436.22379	52.0
437.20752	16.3
454.13666	4.0
454.23563	100.0
455.15143	2.9
455.22769	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	454.2341
Annotation	Citrinalin B
Peak:m/z	Relative Intensity
55.05511	2.9
56.05052	1.7
56.82412	1.0
58.06600	18.5
65.03887	0.9
70.06598	4.3
72.08157	16.7
77.58613	0.8
82.06583	2.7
84.08145	26.2
85.02939	1.6
89.89361	0.9
93.35775	0.8
98.06059	4.7
98.09727	2.0
101.07143	0.9
107.04954	9.8
110.09692	1.3
112.11249	30.2
113.07156	4.7
121.02898	3.1
127.08675	1.9
129.13907	5.9
131.04988	2.4
133.06488	4.6
137.06033	1.5
138.09277	1.1
139.88106	0.8
146.16541	1.1
147.04352	1.4
155.11821	8.6
159.04434	1.3
160.07538	5.5
161.06012	2.7
163.03999	0.8
167.48366	0.8
172.14542	3.6
176.10768	1.1
177.05507	1.4
181.06540	1.5
182.01588	0.9
182.08214	1.1
187.03949	1.7
188.07092	10.9
191.08511	2.1
198.12486	3.6
199.07545	35.0
204.06630	1.0
209.09557	0.9
209.12852	4.3
215.11877	1.1
216.06598	10.4
217.13448	3.4
219.08125	3.6
228.10301	1.0
229.07794	1.0
234.07661	1.1
237.09189	5.6
238.13222	2.5
238.15514	2.9
239.13889	4.9
240.75523	1.0
243.11383	5.0
244.09796	2.9
247.07939	1.3
255.15849	1.0
256.09650	1.2
256.16626	1.2
258.11292	6.3
261.12439	10.8
265.08780	3.1
272.23520	1.0
275.13998	1.2
301.15555	1.8
315.17065	10.9
322.14505	2.5
332.19681	7.2
342.18170	2.3
347.14175	1.0
365.15030	4.5
383.16095	2.3
418.27429	1.1
419.20020	2.7
436.16602	2.1
436.22418	42.0
437.20740	24.0
438.21048	1.8
454.23483	100.0
455.15683	1.3
455.23709	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2933
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05515	2.8
57.03445	3.9
57.07080	23.3
57.07365	1.2
62.06094	25.5
65.44518	0.4
67.05511	6.2
69.07079	5.0
69.27351	2.5
71.08638	16.2
81.07061	5.9
83.08624	4.7
85.10183	8.4
89.06049	1.2
95.08604	9.1
96.08981	0.6
97.06525	0.6
97.10167	1.9
97.52716	0.5
98.98477	6.6
107.08577	0.5
109.10159	4.2
111.11732	0.6
123.11699	1.7
124.01624	1.4
137.13332	0.7
142.02634	1.0
155.01047	5.6
158.79337	0.4
173.02029	0.7
181.06505	0.7
181.75279	0.4
198.05319	1.9
216.06323	1.9
225.09082	1.2
239.23715	1.7
256.26398	0.7
282.27927	21.3
283.28357	1.0
308.41968	0.6
313.27377	100.0
314.27719	5.7
339.27563	0.6
348.27432	0.5
393.24060	6.7
436.28418	3.4
454.29031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2934
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05512	4.0
57.03188	0.6
57.03444	7.7
57.07081	26.5
58.99664	0.3
62.06103	0.4
67.05514	5.9
69.07076	4.7
69.70529	1.3
71.05012	0.6
71.08637	17.2
72.08162	0.9
79.05515	1.1
81.07066	8.0
83.08630	4.8
85.10189	9.7
89.06030	1.9
93.07052	0.8
95.08612	10.4
97.06625	0.5
97.10166	2.5
99.11736	0.6
99.32825	0.4
101.25990	0.4
103.07566	1.0
109.10169	5.4
109.69271	0.4
111.11726	0.5
117.09125	0.5
120.96624	0.6
121.10174	0.5
123.11689	1.3
131.10660	0.5
137.13266	0.7
146.12424	0.4
153.07053	0.5
155.07109	0.4
166.39169	0.4
181.06470	1.7
225.09125	0.8
239.23708	1.4
256.26358	0.6
257.24808	2.5
282.27911	2.3
313.27383	100.0
314.27747	4.9
357.24127	0.6
407.44986	0.5
425.81088	0.5
454.33185	1.4
455.21512	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	4.0
57.03178	0.9
57.03437	9.1
57.07078	28.4
60.08149	0.6
61.03223	0.5
61.82661	0.5
67.05170	0.6
67.05506	7.0
69.07070	8.0
69.14207	4.1
70.06587	1.4
71.08633	22.2
72.08159	54.6
79.05470	1.0
81.07063	9.2
82.19003	0.5
83.08631	3.4
85.09705	0.6
85.10185	9.6
85.73830	0.6
89.06053	2.6
93.07050	0.6
94.77827	0.5
95.08609	13.2
97.10195	2.7
99.08091	0.5
103.07588	1.7
104.10702	0.6
109.10149	5.7
111.11728	1.4
111.19635	0.5
113.57879	0.5
117.09126	0.6
117.14434	0.5
123.11707	2.8
130.13515	0.5
136.93221	0.7
137.13216	1.0
151.14749	0.7
154.94199	1.5
170.05780	58.1
172.95219	1.3
176.78090	0.5
177.77934	0.7
184.07356	1.2
211.20621	2.4
229.21655	1.6
244.09436	0.5
285.24252	100.0
286.24606	4.2
317.17914	0.5
335.25897	0.8
337.77161	0.6
397.38809	0.6
454.17197	1.0
472.18625	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2959
Annotation	Aureoverticillactam
Peak:m/z	Relative Intensity
53.03950	1.6
55.05507	4.1
57.07070	2.4
60.78732	1.0
65.03944	1.5
67.05502	4.2
69.07063	8.1
69.42082	3.5
70.06599	5.0
79.05499	25.7
81.07059	28.7
83.08621	3.1
84.08144	1.3
91.05491	11.2
93.03394	1.2
93.07053	6.3
95.04999	5.2
95.08627	8.2
97.06541	8.5
97.10189	2.6
100.11258	2.7
105.04503	1.3
105.07028	13.0
107.04974	7.1
107.07993	1.1
107.08580	5.6
109.06551	4.4
109.10172	5.0
115.05563	1.3
118.05803	1.4
118.06536	5.8
119.04916	1.6
119.08588	14.4
121.06523	1.6
121.10149	2.4
123.04464	4.7
123.11666	1.3
125.05993	76.0
129.07008	1.3
131.04901	1.4
131.08574	5.9
132.28596	1.3
133.06491	3.1
133.10109	8.5
135.11722	1.3
137.05975	12.3
143.04927	1.4
143.08565	1.8
145.10144	5.5
146.05980	9.0
146.11743	1.5
147.04466	2.8
147.08037	3.9
147.11697	5.2
149.02367	15.4
149.03442	1.5
149.05991	7.5
151.07593	3.9
159.11765	2.8
161.05988	24.6
161.09654	3.7
161.13330	2.2
163.07608	3.2
164.07071	10.4
173.13287	4.4
175.07536	6.2
175.14845	15.9
177.09160	1.6
178.08585	2.0
185.13217	5.2
187.07655	1.5
189.09146	3.3
193.04979	16.0
200.19998	1.2
203.10675	4.5
203.14316	25.3
203.16022	1.9
204.10370	1.2
207.13799	2.1
210.14957	1.4
215.10719	1.4
217.12248	9.5
221.15388	6.8
229.19545	1.5
237.07585	21.1
244.20471	1.7
244.22647	7.4
296.25626	1.5
305.04123	1.2
313.20102	2.3
334.29245	1.1
354.47311	1.2
373.94183	1.3
391.26468	4.7
394.22437	1.6
419.25742	3.9
436.28671	5.6
453.84402	1.8
454.29361	100.0
455.29477	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81927	0.5
52.06337	0.5
53.03942	0.8
55.05513	23.7
56.05037	2.5
57.03436	1.5
57.07076	7.1
59.05014	1.0
65.03942	1.1
67.05215	0.5
67.05507	26.1
69.03438	2.1
69.07070	40.5
70.17826	1.6
71.05000	1.4
71.08630	2.1
73.06555	0.9
79.05495	13.5
81.07059	82.9
82.07389	0.9
83.04990	1.9
83.08622	16.2
83.29775	0.5
84.04505	82.2
85.02907	2.4
85.06548	2.4
85.10211	0.5
91.05484	5.1
93.07049	29.6
95.04969	1.5
95.08609	77.5
96.08374	0.5
96.08955	1.8
97.06528	3.6
97.10173	15.2
98.09681	0.7
99.08109	2.6
100.11251	5.7
101.15816	0.5
102.05543	36.6
105.07036	7.9
107.08595	31.5
108.08907	1.0
109.06520	1.6
109.10162	38.1
111.04469	1.2
111.08090	4.6
111.11719	6.5
113.09672	1.5
119.08604	8.4
121.10145	22.2
123.08083	1.6
123.11709	32.1
125.09631	4.4
125.13316	0.8
126.09193	0.8
127.07428	0.7
127.11179	0.8
128.07060	1.0
130.05005	53.6
131.05347	1.1
131.08589	1.6
133.10124	6.4
135.11694	12.9
137.09613	1.1
137.13274	6.6
139.08725	0.7
139.11177	9.6
145.10136	3.1
147.11693	4.0
148.06047	100.0
149.06346	0.9
149.13255	17.5
151.11177	3.4
151.14827	15.0
153.12726	1.0
157.12267	1.0
159.11684	4.9
161.13260	5.0
163.11137	0.6
163.14822	8.3
164.07135	1.1
165.12805	1.7
165.16382	1.8
167.14342	1.9
173.13239	3.0
175.14787	3.7
177.16415	3.8
179.14301	2.0
179.17955	1.8
182.15419	5.8
182.53520	0.6
187.14822	1.7
189.16373	2.4
191.17969	6.4
193.15871	1.4
195.17476	0.7
199.17961	0.6
201.16406	3.3
203.17970	1.5
209.18881	0.7
210.14883	5.7
211.15175	1.1
215.17934	2.5
219.17447	3.7
223.16811	0.6
228.08655	1.6
233.18983	1.8
237.18556	2.5
259.24203	1.1
261.25812	1.0
268.15427	1.1
271.24188	5.6
272.14841	1.1
277.25290	4.3
279.26834	4.1
286.16486	6.8
289.25250	15.2
290.25562	0.7
303.23080	0.8
307.26306	18.0
308.26822	0.9
325.27539	1.1
326.27878	0.8
328.21323	1.0
356.24216	1.0
366.22620	2.7
378.29633	0.7
380.24380	0.8
381.29794	0.7
390.30127	1.5
406.29205	0.8
407.15356	0.7
408.31003	5.6
418.29440	1.0
424.30573	8.4
425.31174	0.9
436.30585	11.4
453.83902	2.5
454.19376	1.1
454.31326	7.5
463.19431	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91936	0.2
56.05027	0.7
57.03431	0.5
57.07075	1.5
58.06581	1.1
60.08162	12.7
69.07052	0.3
69.69078	0.6
71.07373	3.8
71.08644	1.1
75.04483	1.2
81.07056	0.3
84.02445	0.2
85.10166	0.7
86.09705	25.7
87.10016	0.3
95.08571	0.3
98.22733	0.3
98.98457	2.9
104.10741	100.0
105.10408	0.2
105.11044	0.9
125.00004	15.7
125.65657	0.2
151.15186	0.2
181.02570	0.3
184.07341	15.5
281.63495	0.2
299.25763	0.5
320.68274	0.2
436.11768	0.4
454.32916	27.0
455.33279	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.1
57.07076	36.8
58.06604	1.0
59.04999	0.9
62.06089	0.9
67.05485	1.2
69.07065	1.5
69.47088	1.3
71.08632	25.5
73.06551	6.2
83.08617	3.0
85.10186	19.6
87.04471	2.3
89.06031	100.0
90.06359	0.7
93.07110	0.6
95.08659	1.0
97.10160	3.2
98.23457	0.7
99.11752	4.2
100.11316	0.6
107.07079	1.9
113.13265	1.9
117.09099	2.1
130.08669	1.6
133.08604	46.9
133.47649	0.7
151.09639	1.0
155.01059	0.7
155.17928	3.5
177.11215	20.4
195.12320	2.7
199.20514	4.0
220.23320	0.6
221.13847	3.3
239.14905	1.4
243.23170	12.7
263.13580	0.7
283.17520	19.3
287.25870	4.7
292.65649	0.7
301.71964	0.6
313.27429	4.5
349.29422	0.9
393.32153	1.4
437.34750	29.5
437.40842	1.4
438.34879	1.3
454.16562	0.9
464.13800	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	6.1
56.05857	1.7
56.56841	1.4
56.96568	34.1
59.14290	1.2
64.88150	1.3
70.06590	2.5
70.98125	2.8
83.08608	2.7
84.96031	14.6
98.97585	100.0
100.11255	54.1
101.11571	16.2
107.24007	1.1
110.07170	1.3
110.97574	36.2
110.98296	2.7
112.99149	6.3
116.98627	44.2
124.99158	3.4
126.97038	2.2
128.98616	41.9
131.00153	5.6
134.99658	12.1
140.98622	3.3
143.00165	9.5
144.98096	4.0
145.02856	3.9
146.99643	18.0
149.01251	3.6
158.99707	7.1
161.01207	15.3
162.99184	2.4
163.03938	2.7
165.00693	2.3
170.99611	7.5
175.00726	2.9
177.00720	8.5
177.05460	7.3
179.02296	4.7
185.07678	1.4
189.00716	7.9
190.80028	1.5
193.01819	2.8
194.99591	1.9
201.00598	7.7
207.01839	2.1
208.00458	2.0
209.16510	7.6
210.16783	6.8
211.17291	1.6
213.00778	3.9
217.36601	1.4
219.01770	54.3
225.04361	7.0
227.17542	38.8
228.17883	43.0
229.18144	7.3
233.01279	2.4
236.00041	5.1
237.02814	84.8
239.02248	2.1
242.03406	2.3
243.05521	2.9
251.02344	3.8
254.00996	7.5
255.03862	3.9
261.02695	2.8
269.03345	27.3
272.02014	2.2
279.03891	3.3
287.04388	26.7
311.04477	6.9
329.03299	3.4
335.04248	3.7
337.05804	3.3
347.04410	9.4
353.05478	2.7
355.07074	2.6
365.05380	2.7
377.05643	3.7
395.06470	53.4
395.11636	2.6
396.06870	3.3
413.07568	79.2
414.08002	2.4
436.09195	4.4
455.08630	56.9
455.14740	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1316
Annotation	Didymocalyxin A
Peak:m/z	Relative Intensity
62.52255	2.8
69.65454	9.3
70.88754	3.1
78.25785	2.6
84.08140	3.8
98.97584	5.7
106.39270	3.2
147.04445	14.3
199.07542	9.1
265.04495	3.1
305.62894	3.3
309.06509	3.4
327.07498	8.6
335.09332	4.5
386.35175	3.0
455.13300	100.0
455.22363	44.6
456.13275	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	455.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42577	0.8
55.05517	2.7
57.95190	1.0
58.06610	1.0
59.31321	0.8
62.14956	0.8
63.92284	0.8
67.05511	2.3
69.03416	2.1
69.07054	1.8
70.06591	4.0
71.04985	1.1
71.45625	1.2
72.08138	5.2
76.07625	1.3
81.07071	1.0
83.04963	1.1
84.08149	7.8
85.02919	6.1
86.08643	0.9
88.01885	0.9
88.07631	1.3
91.05479	4.7
91.47906	1.0
93.07040	1.4
95.05008	2.3
95.08607	2.5
95.34850	0.9
97.02876	1.5
100.11190	1.0
105.07029	3.0
106.06676	1.0
107.04957	7.3
109.06533	2.8
109.10180	3.3
110.02410	4.2
110.09703	0.8
112.11234	2.4
113.11584	1.1
119.04954	6.2
119.08566	1.8
120.05247	1.3
121.02863	2.0
121.06520	1.3
123.04416	1.0
127.03946	1.9
128.03465	1.2
130.12291	9.7
131.04941	3.7
133.02850	1.9
133.06494	6.2
135.04442	3.0
137.06033	1.4
137.09610	19.9
145.06496	1.2
147.04420	18.1
148.04774	7.0
149.05951	1.5
149.09665	2.1
152.07086	1.7
154.08652	2.7
154.13237	1.0
160.07610	1.0
161.05963	2.1
163.03925	11.2
164.04309	4.9
171.04373	1.0
171.13753	1.2
175.03874	1.4
181.06540	4.3
182.08096	2.6
187.04056	1.1
188.07063	4.3
189.05515	1.5
189.12762	1.5
199.07550	67.3
201.05453	2.9
204.10228	7.4
205.10553	3.8
207.13808	3.7
209.12772	1.6
215.03444	1.3
216.06572	3.4
227.13881	5.3
235.11469	1.6
239.14005	1.0
256.14291	1.5
257.15027	3.3
258.11313	1.4
265.08517	4.6
274.10696	2.2
286.10638	2.7
291.10931	1.1
293.20544	1.7
303.13541	3.1
308.19785	1.4
309.19955	1.5
325.10632	1.3
437.20822	4.1
438.20947	3.0
455.13101	84.8
455.22110	100.0
456.13663	5.1
456.22437	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	455.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03463	1.2
58.06583	1.5
60.00618	1.2
67.05521	2.3
68.00002	1.2
69.03430	1.5
69.07091	1.2
70.06592	4.4
72.08150	4.8
79.05531	2.1
81.03419	2.5
81.07076	1.9
84.08144	7.3
85.02901	7.7
85.06558	1.4
86.09722	2.1
86.29288	1.2
87.00809	1.1
88.07646	1.6
91.05492	4.5
92.05823	1.5
95.04959	2.6
95.08603	2.7
97.02905	1.4
97.77896	1.0
98.06014	1.2
98.97603	2.8
105.07035	3.2
107.04971	8.5
109.02915	1.8
109.06542	2.0
109.10180	2.9
110.02424	4.2
112.11246	3.8
117.06984	1.5
119.04968	6.0
119.08566	1.5
121.06521	2.5
127.03975	1.9
128.03461	2.3
129.12865	1.4
130.12280	13.0
133.02855	4.4
133.06500	5.4
135.04446	3.3
137.05911	1.5
137.09630	11.6
139.83528	1.1
147.04424	15.5
147.11722	1.2
148.04788	6.8
149.09645	1.5
152.07083	2.4
153.06979	2.2
161.05965	1.9
163.03899	8.9
164.04294	2.8
167.01320	1.4
171.08072	1.5
175.03989	3.2
181.06529	3.3
182.08165	2.7
187.03943	1.3
188.07082	3.6
189.05487	3.7
189.12804	1.7
199.07550	76.1
200.07922	2.5
201.05524	3.5
204.10239	4.4
205.10614	3.5
207.13820	2.2
216.06578	4.6
227.13890	6.9
234.11320	1.6
244.06223	1.4
256.14319	1.7
257.14941	6.0
258.11356	3.8
265.08643	6.4
274.10666	2.7
283.06192	1.2
286.10852	3.0
292.20157	1.5
293.14148	1.4
303.13480	3.8
308.19815	1.4
325.10703	3.7
333.18057	1.7
437.21085	3.1
438.21622	1.7
455.13162	82.8
455.22055	100.0
456.13312	6.1
456.22647	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	455.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.9
57.03463	1.2
58.06583	1.5
60.00618	1.2
67.05521	2.3
68.00002	1.2
69.03430	1.5
69.07091	1.2
70.06592	4.4
72.08150	4.8
79.05531	2.1
81.03419	2.5
81.07076	1.9
84.08144	7.3
85.02901	7.7
85.06558	1.4
86.09722	2.1
86.29288	1.2
87.00809	1.1
88.07646	1.6
91.05492	4.5
92.05823	1.5
95.04959	2.6
95.08603	2.7
97.02905	1.4
97.77896	1.0
98.06014	1.2
98.97603	2.8
105.07035	3.2
107.04971	8.5
109.02915	1.8
109.06542	2.0
109.10180	2.9
110.02424	4.2
112.11246	3.8
117.06984	1.5
119.04968	6.0
119.08566	1.5
121.06521	2.5
127.03975	1.9
128.03461	2.3
129.12865	1.4
130.12280	13.0
133.02855	4.4
133.06500	5.4
135.04446	3.3
137.05911	1.5
137.09630	11.6
139.83528	1.1
147.04424	15.5
147.11722	1.2
148.04788	6.8
149.09645	1.5
152.07083	2.4
153.06979	2.2
161.05965	1.9
163.03899	8.9
164.04294	2.8
167.01320	1.4
171.08072	1.5
175.03989	3.2
181.06529	3.3
182.08165	2.7
187.03943	1.3
188.07082	3.6
189.05487	3.7
189.12804	1.7
199.07550	76.1
200.07922	2.5
201.05524	3.5
204.10239	4.4
205.10614	3.5
207.13820	2.2
216.06578	4.6
227.13890	6.9
234.11320	1.6
244.06223	1.4
256.14319	1.7
257.14941	6.0
258.11356	3.8
265.08643	6.4
274.10666	2.7
283.06192	1.2
286.10852	3.0
292.20157	1.5
293.14148	1.4
303.13480	3.8
308.19815	1.4
325.10703	3.7
333.18057	1.7
437.21085	3.1
438.21622	1.7
455.13162	82.8
455.22055	100.0
456.13312	6.1
456.22647	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	455.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25594	3.4
57.11152	3.6
68.78865	3.6
71.46379	3.2
83.17571	4.0
89.03905	7.6
98.97567	4.8
100.11259	5.3
107.95261	3.8
116.98616	4.5
117.03387	23.4
130.75536	3.2
145.02855	58.5
149.05965	9.2
153.11115	4.2
177.05475	100.0
217.04701	3.9
219.06236	4.0
230.05495	38.7
231.06288	9.3
241.44705	3.5
247.05893	6.2
248.06566	12.0
274.97510	10.6
279.16989	36.5
331.66095	4.5
454.34259	7.2
455.13004	68.3
455.21109	12.7
455.26624	8.9
456.13492	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	455.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.9
57.07085	1.3
67.05501	5.9
69.03447	3.5
69.07081	1.1
70.06594	2.4
72.08147	5.1
81.03442	2.2
81.07076	1.5
81.67236	1.0
83.04993	1.5
83.67028	1.1
84.08150	3.4
85.02896	6.2
85.06567	4.6
85.07675	1.1
87.00876	1.3
91.05505	4.0
93.07056	2.7
95.05009	1.4
95.08609	23.1
97.02898	2.4
98.97600	1.1
99.25729	1.2
105.01930	1.1
105.07064	3.3
107.08633	1.8
109.02936	1.4
109.06611	1.7
109.10179	1.4
110.07215	2.1
112.11295	1.7
113.06023	1.8
119.04951	5.6
119.08607	4.1
120.05313	2.4
121.06470	1.3
121.10186	1.3
123.08074	6.9
123.11671	2.2
127.03985	3.2
131.08635	1.9
135.04425	1.9
135.11719	2.1
137.06062	2.3
137.09669	4.1
138.05292	1.8
145.02849	3.3
145.10185	1.5
147.04416	25.7
147.11754	2.3
148.04716	12.4
149.09625	12.8
151.84729	1.1
156.09361	1.4
159.08089	1.3
161.13322	2.9
163.03906	19.3
163.11218	1.2
164.04257	9.4
164.05370	0.9
165.12819	2.1
174.10440	2.1
177.05528	1.4
184.07404	1.9
189.12746	10.6
196.09560	3.4
199.07703	1.6
201.05434	1.0
204.10228	8.5
204.11842	0.9
205.10519	6.8
207.13808	20.6
207.15538	1.4
210.14993	1.6
220.09697	6.8
221.10030	6.1
225.14799	1.4
234.11385	1.2
234.91808	1.0
293.13831	16.4
293.20627	2.1
308.19788	1.7
309.20129	2.3
311.09641	1.2
335.05469	2.3
354.24094	3.0
437.08481	8.6
437.17651	2.0
451.53796	1.1
454.23340	1.6
455.13437	100.0
455.23862	40.0
456.13675	8.4
456.24170	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1527
Annotation	TyrMe-His-OH
Peak:m/z	Relative Intensity
54.92128	0.3
58.03095	0.3
71.36536	0.4
72.08153	1.4
84.08157	0.4
119.05002	0.9
146.26784	0.4
147.04413	4.0
147.14923	0.8
161.65076	0.3
177.05499	1.2
189.23703	0.3
250.58850	0.4
275.13962	0.6
293.15317	0.8
293.18668	1.8
317.08337	0.8
323.10880	0.6
376.29276	0.4
419.32272	0.3
455.15247	100.0
456.15558	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	455.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
70.20486	1.2
89.03922	2.7
97.08664	1.5
100.07600	1.3
117.03383	11.7
119.97319	1.5
145.02855	42.7
149.05972	4.8
168.06818	1.3
177.05470	100.0
178.05821	3.1
184.93044	1.6
262.58997	1.4
276.12259	1.8
277.98389	1.4
335.82837	1.4
339.10645	3.4
438.17822	9.3
455.14514	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2181
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
51.54750	0.4
55.05468	0.6
60.72445	0.4
70.06588	1.2
70.58220	0.5
86.09698	1.6
89.03912	6.7
91.05489	0.6
93.04864	0.4
95.04992	0.6
98.97594	0.7
100.11245	0.6
103.12334	0.7
116.98591	0.7
117.03389	20.4
134.03601	1.5
135.04422	0.8
145.02850	54.6
146.03165	1.0
149.05977	6.8
162.03140	0.6
163.03929	0.7
177.05472	100.0
178.05786	2.5
186.05476	1.4
215.47070	0.4
262.14432	1.1
269.13593	0.6
274.97610	1.2
279.17041	35.4
280.17303	0.7
305.15067	2.2
363.91684	0.5
395.87170	0.5
452.88846	0.5
455.21066	7.0
455.26151	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2257
Annotation	Incaspitolide E
Peak:m/z	Relative Intensity
50.01286	0.7
55.05507	0.8
55.38202	0.7
66.61082	0.7
68.50140	0.7
69.03441	2.1
70.13689	1.8
73.02930	1.2
85.02919	1.6
87.62139	0.7
89.03927	1.2
91.05518	1.1
97.02901	1.2
100.09495	0.7
100.11282	2.6
115.03938	1.6
117.03420	1.9
119.04960	1.8
133.04962	1.3
135.67528	0.7
145.02858	6.7
147.04425	7.0
172.33699	0.8
177.05487	12.6
182.15555	0.9
185.04271	2.7
206.36449	0.7
210.14917	1.0
219.13754	0.7
229.07544	0.7
248.09187	0.7
261.12637	0.9
275.16217	2.3
293.17230	82.1
294.17670	3.2
325.12271	1.4
353.10318	0.7
360.96887	0.9
423.15445	0.9
437.16855	0.7
454.84909	1.0
455.22528	100.0
456.23029	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.4
57.07070	1.9
67.05499	4.2
69.07066	3.9
69.42615	1.4
71.08626	1.0
79.05501	2.4
81.07058	4.9
83.08609	2.3
89.06015	1.6
91.05507	0.7
93.07030	2.0
95.08609	4.9
97.06532	0.4
97.10158	1.3
105.07031	1.0
107.08561	1.2
109.06487	0.4
109.10146	2.4
111.08031	0.5
119.08601	0.8
121.10144	1.5
123.11717	1.0
125.05964	0.4
133.08572	1.1
133.10129	0.7
135.11671	1.2
147.11740	0.4
149.13206	0.5
151.07578	0.4
153.05222	92.0
154.05585	1.8
161.09642	0.5
194.07889	1.1
228.86182	0.4
280.84811	0.4
283.17542	0.5
314.27859	0.7
317.58862	0.4
325.21310	2.0
327.30408	0.6
345.31519	2.0
363.32568	6.1
386.34650	0.4
415.45053	0.4
437.36404	1.6
455.27670	100.0
455.36600	3.4
456.27982	8.4
473.20117	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52007	0.7
53.03921	0.8
55.01875	44.7
55.05259	1.2
55.05514	16.7
57.03438	31.2
57.06853	0.6
57.07077	6.3
67.05165	1.0
67.05508	16.1
69.03424	0.7
69.06707	1.3
69.07069	19.9
69.20213	4.2
71.04632	1.0
71.04996	14.9
71.08621	3.6
73.02919	20.3
75.64167	0.6
79.05499	6.6
81.07060	24.4
83.04983	2.1
83.08625	14.8
85.06537	1.6
85.10196	1.8
87.04485	1.6
91.05482	5.0
93.07056	7.7
95.04976	1.1
95.08613	20.8
97.06535	7.2
97.10172	8.6
99.04477	1.2
105.07038	3.0
107.08602	6.7
109.09425	0.7
109.10166	12.7
111.08068	1.1
111.11716	3.6
113.06010	3.7
113.09679	0.9
117.05454	0.8
118.52956	0.6
119.08577	3.1
121.10146	6.1
123.11701	4.9
124.93790	1.2
125.05996	2.2
125.13279	0.9
129.05481	100.0
130.05846	1.2
130.25774	0.6
131.08566	2.0
133.10141	2.8
134.21213	0.6
134.75491	0.7
135.08049	1.1
135.11688	4.8
137.09595	0.8
137.13264	2.3
145.10104	3.3
147.11702	2.3
147.88007	0.7
149.09590	1.9
149.13272	2.7
151.14725	0.9
152.98947	0.7
159.11702	1.8
161.13237	1.1
163.14816	1.3
167.10706	0.8
173.13263	1.3
175.14864	1.1
289.83633	0.7
325.21347	0.7
327.30444	6.7
335.33087	6.8
345.31552	11.2
346.31979	1.4
353.34091	1.5
356.54749	0.7
363.32556	34.0
364.33023	2.5
381.33740	2.9
437.20483	2.1
437.36258	17.4
438.36520	1.5
455.21658	2.3
455.37332	77.9
456.37708	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
53.03937	2.2
55.05514	49.9
56.05865	1.3
57.03440	8.0
57.07079	19.0
57.82649	1.0
58.35060	1.0
59.04981	1.1
60.64453	1.1
65.03954	2.4
67.05508	71.8
69.07072	63.1
69.28584	2.3
69.28978	3.7
71.04987	1.7
71.08630	10.9
79.05499	24.8
81.07060	100.0
82.07407	1.1
83.08624	40.3
84.08949	1.8
85.06532	3.3
85.10185	4.7
91.05482	9.8
93.07043	25.8
95.04980	4.0
95.08608	83.1
97.06524	3.9
97.10173	28.3
99.08095	4.7
105.04517	1.3
105.07047	6.5
107.08598	17.7
109.06506	1.9
109.10163	44.3
111.08078	2.7
111.11722	10.2
117.06994	1.2
119.03434	2.6
119.08580	5.7
121.09293	1.4
121.10146	25.9
123.11715	17.8
125.09586	1.8
125.13266	3.8
129.87506	1.0
131.08598	3.6
133.10139	5.6
133.88683	1.1
135.11696	21.4
136.12082	1.1
137.09660	2.0
137.13245	7.9
145.10089	2.6
147.11685	3.4
149.09689	1.6
149.13297	9.5
151.11186	1.5
151.14882	4.0
153.05211	1.6
159.11748	2.2
161.13193	2.6
163.14862	4.4
165.16412	1.7
173.13303	1.3
175.14844	1.5
177.16466	2.5
179.18097	1.2
187.14871	1.9
191.17830	1.2
201.01686	1.0
201.40369	1.0
205.19455	1.2
207.12259	1.0
207.21066	1.5
217.19734	1.1
219.76175	1.1
223.73306	1.1
231.21167	1.2
235.24275	1.5
247.24435	2.2
250.09329	1.1
262.80081	1.2
263.23700	1.7
265.25153	2.0
317.32083	7.5
327.30383	11.2
345.27359	1.6
345.31519	22.0
357.29926	2.8
363.28030	2.4
363.32568	40.3
364.33054	1.9
381.33688	4.3
437.36359	19.1
438.36566	1.1
455.37341	71.4
456.37637	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	456.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
55.01871	9.2
55.05476	1.4
57.03436	22.4
57.03700	2.4
57.07069	2.9
58.87796	1.2
59.05008	2.6
60.04506	1.5
61.02926	17.5
67.05512	2.5
69.03429	36.4
71.01342	6.8
71.04993	2.8
73.02917	100.0
79.05506	1.4
81.03406	6.2
81.07037	1.3
83.01368	1.1
85.02902	85.2
87.04465	5.9
91.03959	4.4
96.04483	2.6
97.02892	64.4
98.22717	1.3
98.97605	2.1
99.04471	4.1
103.03915	2.4
107.08546	1.1
109.02885	7.3
109.10156	13.7
115.03931	44.9
115.04701	2.5
116.04247	1.0
117.03401	2.6
118.03766	1.5
123.04355	1.1
126.05534	1.1
127.03901	26.1
127.11182	9.3
132.06566	2.2
133.03938	2.7
133.04967	54.1
133.10123	3.1
135.04507	1.1
137.09564	2.3
137.92223	1.2
138.05580	1.1
141.20337	1.2
144.06593	4.8
145.02977	7.6
145.03822	2.6
145.04955	51.1
145.12218	3.2
146.03218	3.9
150.07640	5.6
156.06622	2.0
162.07645	3.2
163.06027	15.4
177.05463	14.8
178.05811	9.3
180.08691	7.1
191.14308	2.7
193.04930	1.9
199.06056	2.7
217.04854	1.3
223.06026	7.4
232.07066	12.0
241.07155	9.1
241.14258	1.4
259.08118	9.1
259.15384	6.6
274.97510	3.3
276.10870	3.7
277.09164	2.9
289.16443	5.6
292.98422	2.1
294.11896	3.0
295.10199	3.6
312.13141	2.0
378.04382	1.3
456.23083	3.5
457.14648	10.4
457.28766	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	60.1
57.07071	4.9
61.02927	17.6
67.05514	3.3
69.03425	47.3
71.01370	4.4
71.04990	4.0
71.47115	3.4
73.02913	100.0
79.05489	3.5
81.03397	4.9
81.07076	5.3
83.08630	4.1
84.04498	26.1
85.02897	80.7
87.04462	5.8
93.07056	6.0
97.02892	82.9
98.06065	4.0
98.97577	9.8
100.11266	3.9
102.05536	9.9
107.08616	3.4
109.02895	7.3
109.10149	13.6
115.03918	72.2
115.04698	4.3
127.03934	23.7
127.11183	11.4
130.04999	13.8
132.06552	3.9
133.04948	18.1
133.10159	4.8
144.06586	14.3
145.02824	3.9
145.04942	40.6
145.12279	5.4
148.06070	12.1
150.07628	6.5
162.07640	8.8
163.06033	7.0
177.05518	4.9
180.08611	7.4
221.20023	2.9
223.05956	5.1
241.07153	7.5
259.08136	6.2
259.15402	4.8
273.18430	5.0
274.97543	12.7
289.16458	13.7
292.98633	4.8
293.17194	22.5
294.12119	5.9
294.17584	53.3
312.12961	3.9
422.19543	3.1
432.96301	3.5
456.22852	76.4
457.14337	4.3
457.20227	56.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.5
55.01869	2.2
55.05509	0.9
57.03432	2.0
57.07076	13.7
59.05003	100.0
60.05343	0.8
61.02940	1.4
63.44530	0.5
64.31974	0.5
67.43565	0.5
68.99785	0.9
69.03432	6.9
71.05006	1.3
73.02924	1.6
81.03421	4.7
83.08624	0.6
85.02906	18.8
86.09724	2.2
87.00832	7.3
89.03905	4.0
90.04264	1.8
91.05526	1.0
93.07050	0.8
97.02888	6.5
97.10186	1.0
98.97608	1.6
99.04468	2.5
100.07640	0.8
101.09646	0.8
103.12395	0.7
105.01868	7.0
109.02899	4.8
109.06548	0.8
115.11210	28.9
116.98640	1.1
117.02048	0.7
117.03385	11.9
117.09165	1.5
118.03718	6.1
121.10168	1.0
121.23000	0.7
127.03922	9.7
129.01848	1.0
133.10152	1.0
134.03619	0.7
135.04471	0.6
143.08688	0.6
145.02850	29.4
145.04807	3.2
145.12303	0.8
146.03174	16.9
149.05969	3.8
150.06369	2.6
159.02924	2.6
173.15373	5.9
173.16692	0.8
177.05469	53.4
178.05812	32.2
179.05994	0.6
182.15453	0.6
191.16417	67.0
192.16856	1.7
209.15294	0.6
211.15250	0.6
231.04996	1.6
237.22989	0.7
274.97592	2.3
279.17029	12.8
280.17371	20.0
305.14957	0.8
306.15341	1.4
339.67114	0.6
444.00772	0.7
456.22003	4.1
456.33554	0.9
457.20801	0.9
477.59015	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
55.01860	1.0
55.05505	2.1
57.03438	9.8
59.05014	0.8
61.01183	0.7
61.02930	1.5
67.05523	1.0
69.03434	2.9
70.06596	0.7
71.04996	76.6
72.05338	0.9
73.02927	2.3
75.04487	5.3
76.21397	0.7
77.49678	0.6
79.05460	0.8
80.25365	0.6
81.03412	1.1
81.07072	0.9
83.04985	5.6
84.04507	2.6
84.84136	0.6
85.02908	100.0
86.03203	0.9
86.09711	1.0
87.04472	2.4
91.05509	1.3
95.08604	1.4
97.02879	3.4
98.97604	1.0
99.04446	1.7
101.06023	0.7
102.05557	0.8
102.38274	0.7
103.03955	1.2
107.08614	0.8
111.04459	4.9
113.09670	0.9
117.03370	0.8
119.04932	0.8
127.03944	3.7
129.05481	49.4
130.05019	1.7
131.60199	0.7
133.10091	0.9
145.02853	2.1
145.04974	2.9
146.08148	1.8
147.04518	1.4
147.06523	23.5
148.05994	1.7
162.07597	1.9
163.06010	1.5
163.11281	1.2
164.09186	6.6
177.05475	3.2
180.08659	2.4
191.14360	0.9
225.07520	0.9
252.81973	0.7
255.08759	1.2
273.09802	0.7
273.18793	0.8
274.97452	0.8
291.19391	0.7
292.98666	1.1
294.18951	0.7
295.15369	0.8
296.73978	0.7
309.11679	1.2
326.14371	0.8
335.97250	0.6
438.21082	0.7
456.22693	2.8
457.18958	1.3
457.24329	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	456.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.3
55.01871	2.0
55.05511	1.9
57.03432	2.4
57.07072	12.6
57.07333	1.0
59.05001	100.0
59.11591	0.5
60.05343	0.8
61.02921	1.1
67.05486	0.8
68.99797	0.8
69.03430	7.6
70.26875	0.9
71.04992	1.9
72.50860	0.6
73.02923	2.0
77.01826	0.5
79.05499	1.0
81.03411	5.7
81.07040	0.9
84.04491	1.7
85.02906	20.4
87.00828	8.5
87.04436	0.6
91.05504	0.8
93.07066	0.8
95.04951	0.8
95.08549	0.8
97.02898	5.0
97.10152	0.7
98.22675	0.5
98.97597	1.5
99.04462	2.4
99.08118	0.6
101.09663	0.5
105.01862	5.5
105.07021	0.7
107.08624	0.9
109.02888	5.1
109.06535	1.5
109.10136	0.6
112.28414	0.6
115.11209	27.4
116.11572	0.9
116.98647	1.6
117.09128	1.2
119.08552	0.7
121.06464	0.5
127.03911	10.9
129.01871	0.6
130.05022	1.5
133.10133	1.2
135.08035	0.8
145.04961	3.6
148.06096	0.7
159.02933	2.0
173.15373	5.4
173.16451	0.5
178.05032	1.1
185.20723	0.6
189.09294	0.6
191.16412	66.8
192.16792	1.5
209.15422	1.0
215.57057	0.6
231.05061	1.7
249.06059	0.5
274.97357	2.6
292.98608	1.1
432.96423	0.7
456.22427	1.8
457.14337	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55249	0.9
53.03942	1.2
55.01855	1.7
55.05506	2.9
56.05028	3.8
56.96555	3.7
57.03435	8.8
57.12985	1.2
61.02924	2.2
67.05503	12.5
69.03434	12.2
69.07063	3.0
70.77644	1.8
73.02920	12.9
79.05495	12.3
81.03416	1.6
81.07060	12.7
83.04978	1.3
83.08615	2.5
84.04504	100.0
84.96016	2.4
85.02907	17.7
85.04838	1.2
85.06528	1.2
87.04462	3.6
91.05482	16.7
91.59353	1.1
93.07041	12.7
95.04953	1.9
95.08609	8.7
97.02897	16.4
97.06516	3.6
97.14302	1.1
98.97585	31.6
99.08081	1.8
102.05539	50.4
105.07040	9.9
107.04945	2.4
107.08588	8.3
109.06506	1.1
109.10159	6.5
111.08072	1.3
112.99126	3.6
115.03930	13.7
116.98621	15.5
117.07011	5.8
119.08604	7.5
121.09397	1.2
121.10131	7.2
123.08069	2.0
123.11668	1.6
125.09624	1.4
127.03919	5.1
127.11218	1.7
129.06972	3.9
130.05003	55.1
131.00166	4.7
131.08551	11.5
133.04951	8.7
133.06485	1.9
133.10100	9.7
134.99670	3.2
135.08035	3.1
135.11685	5.1
137.05945	1.2
137.09601	3.9
141.06990	1.5
143.08510	2.5
144.06586	2.0
145.04967	7.2
145.10098	7.9
147.08028	2.5
147.11720	6.4
148.06046	60.5
149.01213	3.1
149.09625	3.6
149.13179	1.5
150.07680	2.3
155.08548	1.8
157.10147	2.7
158.99669	8.0
159.11679	2.2
161.09608	5.1
162.99269	1.3
163.05998	2.7
169.10161	1.8
171.11679	4.6
173.01239	5.6
174.25748	1.1
175.11160	3.7
177.00700	11.3
180.08725	1.3
185.13341	1.4
189.12762	1.7
191.02281	5.1
201.00717	3.1
209.08496	4.8
213.16379	4.0
219.01801	5.8
227.09518	3.0
227.17891	3.5
231.17326	1.6
237.16455	4.2
247.20602	2.7
249.18570	4.9
251.09537	11.2
255.17465	5.6
263.20135	1.5
269.10605	1.9
273.18478	25.0
274.18985	1.2
274.97549	2.1
289.16544	2.7
291.19513	10.1
292.98669	1.5
293.10999	1.7
293.17273	3.3
294.17670	5.9
309.20471	2.6
356.22128	1.7
371.13824	1.6
374.23392	5.9
378.22571	2.4
389.14795	3.0
392.24371	1.9
394.25830	2.8
402.22983	1.3
413.15497	3.1
420.23679	6.0
438.24707	4.0
456.22046	7.8
457.14682	29.1
457.31485	1.4
470.48410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08012	0.6
66.69368	0.7
68.53346	0.6
69.07087	1.0
69.63348	2.9
81.47538	0.7
95.08602	0.7
99.41260	0.7
115.05525	0.7
116.08182	0.6
121.83704	0.7
131.34970	0.6
132.53899	0.7
154.04750	100.0
155.05081	1.7
164.07062	1.6
213.55472	0.6
274.97720	1.2
292.98773	0.9
325.21585	0.9
456.27231	75.7
456.36917	2.9
457.27515	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	456.311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.05521	10.4
57.07066	6.7
67.05498	6.4
69.07072	33.6
70.74194	3.0
77.03918	2.2
77.59889	1.7
79.05494	39.3
81.07059	46.8
83.08635	16.5
91.05504	11.9
93.07063	13.5
95.04976	3.1
95.08619	24.8
97.06529	11.1
97.10173	5.2
105.07046	21.9
107.04950	6.4
107.08601	9.8
109.06515	5.4
109.10163	11.8
111.04405	2.0
111.11707	3.8
117.07028	2.9
119.08578	13.8
121.10155	4.8
123.11678	5.4
125.05992	100.0
125.13251	4.3
131.08542	8.8
133.06503	2.8
133.10138	19.8
135.11705	2.9
137.05971	7.0
137.13223	3.0
141.20172	1.9
145.10124	11.2
147.08051	3.2
147.11697	13.2
149.13264	2.9
151.07550	5.6
155.06781	5.5
157.10146	2.5
159.11687	4.9
161.09630	41.9
161.13254	5.4
173.09758	2.4
173.13281	7.5
175.11200	29.4
175.14780	5.5
177.09061	2.1
179.10675	24.3
185.13225	2.5
187.11221	2.2
187.14793	5.1
189.12689	4.5
191.10651	4.6
193.12244	16.4
201.16359	4.9
203.14311	17.0
205.12186	1.9
215.14337	4.6
219.13818	13.9
221.15385	43.1
229.15901	4.2
233.15343	2.1
247.17039	3.8
257.22748	15.0
267.21091	8.4
285.22116	67.5
286.22299	4.0
300.29810	2.1
303.23190	27.2
304.23590	2.8
346.27930	2.0
457.29031	3.9
457.34515	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	457.1107
Annotation	CHEMBL159433
Peak:m/z	Relative Intensity
59.96660	3.4
63.80357	3.4
70.06602	3.8
113.50102	2.8
114.73120	3.1
117.03366	6.4
145.02869	19.5
177.05499	40.4
191.22830	3.4
210.05067	9.7
277.15546	7.1
439.20572	4.0
457.11121	100.0
457.21063	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.112
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03947	5.6
57.03436	5.3
59.22621	3.1
62.02358	3.7
69.03438	12.1
69.75095	7.3
70.06596	19.2
71.04972	8.4
71.48789	3.6
72.08141	4.5
73.02909	4.8
77.15818	3.7
80.85919	3.9
81.03425	15.7
84.08142	7.3
85.02865	5.4
86.09708	8.9
98.98470	18.2
99.04456	9.8
117.05506	8.7
124.43430	3.8
126.25155	3.5
145.46257	3.5
149.05988	7.3
159.09203	5.3
172.08702	22.2
177.05466	7.0
196.00143	4.0
198.06679	4.3
200.08090	5.8
216.07738	13.4
243.08769	49.6
253.33841	3.7
302.28085	3.6
341.12451	9.6
342.30594	4.2
359.13547	32.7
396.09756	5.8
414.10535	13.0
421.09042	6.0
425.11539	4.9
428.24023	4.4
439.10141	100.0
440.10629	4.5
457.11057	48.0
457.16788	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	457.1122
Annotation	Flavine mononucleotide (FMN)
Peak:m/z	Relative Intensity
53.03934	4.1
57.03437	9.5
57.91240	1.2
59.04994	4.1
65.79749	1.1
67.30350	1.5
69.03428	10.8
69.82973	2.6
69.83336	2.9
70.06583	4.8
71.04991	9.4
72.08151	1.6
73.02930	3.2
81.03415	21.9
84.08148	1.6
86.09712	1.9
93.84380	1.1
97.35382	1.3
98.98459	15.4
99.04456	14.7
117.05478	9.4
129.16501	1.3
134.65317	1.4
145.02824	2.2
145.07651	1.5
147.04510	1.7
147.09175	3.1
147.69902	1.3
159.09189	4.2
163.03914	6.5
170.07228	1.8
171.09200	1.7
172.08690	26.5
172.10028	1.4
173.07152	4.4
175.08798	3.2
177.05478	5.3
184.08731	2.0
185.10774	1.4
197.09494	3.1
198.06590	7.8
198.10208	2.6
200.08258	3.5
210.52176	1.2
214.09726	3.1
216.07663	16.6
218.09210	1.9
219.07678	1.7
224.11827	2.2
226.98480	1.4
236.11989	1.6
243.08768	52.8
244.07181	1.8
285.09769	2.1
295.04654	1.8
296.80200	1.3
297.09506	2.0
310.21384	1.4
316.12903	3.0
323.11514	2.3
334.09821	1.6
341.12463	9.6
359.13477	38.3
359.17657	2.4
360.13971	2.0
377.14569	5.6
396.09677	7.5
397.08008	3.9
414.10641	14.4
421.09134	7.8
439.10153	100.0
440.10202	6.1
457.11209	47.5
457.16437	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.147
Annotation	11,5'-Dihydroxy-2,3,4'-trimethoxy-6',6'-dimethyl-4',5'-dihydropyrano[2',3':9,8]-6a,12a-didehydrorotenone
Peak:m/z	Relative Intensity
52.29068	0.6
55.05480	0.8
62.20346	0.6
63.27500	0.5
72.48349	0.6
73.37341	0.5
86.09705	1.6
97.02828	0.8
98.22652	1.9
98.97619	0.8
100.11240	1.1
107.08574	1.3
115.56642	0.6
122.39558	0.6
130.90622	0.6
133.10152	4.9
137.09613	3.9
176.04298	0.5
191.14348	3.6
217.04698	8.1
217.08109	0.6
221.99352	0.6
227.06789	0.6
231.06281	1.4
232.07066	100.0
233.07761	9.4
245.18495	0.6
246.33859	0.6
247.05774	3.0
248.06578	1.8
273.09882	1.8
358.50998	0.7
375.07120	0.9
426.12845	2.6
427.13638	2.1
439.13525	0.7
456.85065	0.8
457.14740	77.2
457.22061	4.9
457.28247	11.9
457.78610	4.6
458.15094	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47348	0.6
69.92726	1.9
70.06560	0.7
71.62504	0.5
73.02906	0.7
81.07025	0.6
86.09688	0.9
98.97526	1.0
107.08582	0.8
107.97673	0.6
115.69482	0.6
133.10136	4.5
137.09596	2.5
161.46790	0.6
191.14284	2.1
213.38847	0.7
217.04704	8.4
217.08003	0.9
227.06810	0.7
231.06297	1.7
232.07065	100.0
233.07771	10.5
247.05881	3.6
248.06538	2.6
250.07898	0.9
273.09732	2.2
283.51364	0.6
303.08426	0.8
375.06876	0.8
409.12595	0.9
426.12909	3.7
427.13672	2.1
439.13950	0.8
441.94714	0.7
452.58780	0.7
456.85431	0.8
457.14740	81.2
457.22171	5.4
457.28409	22.8
457.78506	7.0
458.15128	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	457.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.8
56.96568	6.0
56.98808	1.4
67.05531	3.2
67.34717	1.3
69.03436	5.4
69.20818	3.2
69.21230	6.0
71.04995	2.4
79.05494	2.5
81.03431	6.4
81.07058	4.2
84.96035	5.9
85.02912	8.5
85.06549	1.5
87.00862	2.2
91.05482	3.1
92.31442	1.5
93.07053	6.1
95.08617	2.8
97.02911	1.9
98.58437	1.4
98.97588	39.6
99.04468	2.5
105.01863	1.6
105.07021	2.9
107.08607	4.4
109.02922	4.7
109.10176	2.9
111.08047	1.8
112.99152	6.7
116.98634	14.0
119.08549	1.7
121.10160	3.5
123.08037	1.7
127.03941	8.3
128.98598	1.6
131.00189	8.2
131.08501	3.6
133.10138	6.3
134.99709	2.9
137.05946	1.7
145.10155	2.0
149.01265	3.0
149.09592	1.8
149.13307	4.5
151.11180	2.9
158.99664	9.0
173.01175	7.1
173.13243	2.2
177.00748	8.0
190.48018	1.4
191.02296	6.1
191.14304	10.3
201.00706	4.2
209.15373	5.9
219.01871	4.7
231.05078	2.2
248.04683	2.1
251.09517	12.4
252.10156	1.7
265.11182	3.3
269.10599	11.4
277.14005	2.1
283.12115	1.9
293.10590	6.9
295.15210	6.3
305.08087	3.3
311.11661	10.1
323.11554	2.4
325.13385	2.3
333.15860	1.4
337.10580	3.3
365.13687	1.5
371.13766	5.1
385.48215	1.6
413.15598	7.9
417.17615	1.6
419.26578	1.6
457.14670	100.0
457.24026	59.7
458.15112	5.1
458.24487	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	457.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54916	1.3
56.96562	3.7
68.49323	1.2
70.06578	1.7
77.59327	1.1
78.26040	1.3
84.08112	1.5
84.96021	4.8
86.09699	4.2
91.05518	1.4
93.07044	1.2
96.27629	1.1
98.97578	25.5
112.99142	6.7
116.98626	10.1
120.83150	1.3
131.00172	7.1
131.78764	1.3
134.99631	1.4
137.05977	14.3
142.76093	1.3
147.04427	3.4
149.01222	3.5
151.03917	1.4
158.99667	7.2
161.06010	1.5
173.01228	5.2
177.00697	8.8
186.03084	1.4
191.02208	5.6
201.00734	2.6
201.05444	14.7
205.06577	1.1
217.06512	1.8
219.01639	3.1
233.06032	1.4
234.06721	4.5
247.07359	1.7
249.09073	2.3
251.09508	7.0
255.09042	2.2
262.06192	5.7
269.10553	8.2
271.71448	1.2
273.05350	2.2
277.08740	5.9
283.12149	2.6
283.93427	1.3
290.05701	10.9
293.10629	4.9
294.08813	2.0
295.09558	1.8
304.07193	1.6
305.08057	16.3
307.09586	2.0
311.11612	5.3
319.09836	1.6
323.11710	2.4
325.10663	4.1
337.10684	29.2
341.06589	4.1
355.11804	10.5
413.15356	6.9
427.22345	4.4
457.14639	100.0
457.23895	51.2
458.14963	4.2
458.24686	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.148
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	9.0
59.28121	1.2
60.82974	1.6
66.45192	1.2
67.05516	1.2
84.04501	7.7
84.96066	3.1
97.02890	1.8
98.97585	83.0
102.05546	1.8
102.75052	1.3
112.99146	12.0
115.03995	1.4
116.98624	26.1
116.99397	1.9
118.99478	1.3
130.04973	3.2
131.00175	11.1
134.99675	4.4
140.98581	3.0
143.90224	1.4
144.98125	2.5
148.06067	2.2
149.01279	5.1
158.99658	31.4
173.01222	16.6
173.02505	1.8
177.00732	19.0
185.01535	1.4
191.02307	12.2
195.01669	1.6
201.00661	6.4
202.35411	1.5
209.08492	9.8
219.01749	12.7
224.42232	1.5
227.09540	4.5
233.03371	4.7
251.09520	26.4
261.02930	1.5
269.10684	6.5
293.10635	6.3
303.01126	3.5
305.02618	1.5
371.13663	6.2
389.14838	11.4
413.15750	8.0
431.15991	1.6
457.14703	100.0
458.14978	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.2
56.96556	9.6
63.22631	1.9
80.21650	2.3
84.96021	3.4
85.02929	2.7
85.21843	1.9
98.97588	94.1
112.99156	13.6
112.99792	2.1
115.37547	2.1
116.98625	38.6
130.04967	4.2
131.00186	20.4
134.99678	9.8
136.47838	2.1
137.05994	3.0
138.76660	2.2
140.00204	4.0
140.12892	2.1
140.98560	2.1
144.98105	3.0
149.01236	9.3
150.41968	2.3
154.01814	2.0
158.99643	35.7
173.01212	21.7
177.00697	29.7
191.02290	21.6
195.01729	2.5
200.02371	3.7
201.00778	11.5
209.08467	8.3
219.01776	17.2
227.09535	7.6
233.03343	2.6
251.07077	1.6
251.09561	48.4
256.14124	2.1
265.11237	3.8
269.10559	7.7
293.10587	10.2
295.15640	2.0
295.18799	59.1
311.11713	2.6
371.13748	6.5
389.14667	8.6
397.70715	2.6
413.15738	5.5
457.14621	100.0
457.24017	58.8
458.14868	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	457.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	3.1
56.96561	11.5
67.22946	2.3
69.44760	7.6
69.45166	5.9
71.96143	3.1
72.08152	6.6
84.96046	4.4
86.09731	13.3
91.05436	2.4
98.97578	44.2
99.22540	2.7
110.97598	6.6
112.99177	4.8
116.98615	20.1
117.03371	6.1
118.03747	3.8
128.98602	6.4
131.00171	5.8
134.99670	5.6
145.02858	13.6
146.03212	7.3
146.99651	2.7
147.03514	4.3
158.99626	12.5
165.09184	5.9
177.00751	14.1
177.05482	18.9
178.05835	16.1
179.06046	9.6
183.48944	2.5
188.49910	2.7
191.02258	2.9
209.08401	6.1
209.35957	2.5
219.01785	10.2
227.09547	10.5
233.59634	2.6
237.02914	12.7
251.09610	10.1
265.94745	2.9
279.16971	3.6
280.17441	5.6
371.13721	27.4
389.14835	37.3
406.13834	2.9
412.16620	3.3
413.15433	14.7
431.15787	6.9
457.14713	100.0
457.20993	4.0
457.24567	7.8
458.14853	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	457.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03726	1.4
54.10116	1.4
56.96556	11.2
59.99091	1.3
67.31821	1.3
69.52247	2.5
69.52642	3.6
72.08133	1.5
75.09718	1.9
76.07214	1.4
81.07061	2.0
84.96043	5.3
93.17492	1.2
98.22771	3.0
98.97579	45.4
105.07004	1.6
110.97574	5.9
111.18178	1.1
112.99130	5.2
116.98611	16.1
128.98599	4.6
130.71100	1.5
131.00146	7.7
134.99649	4.2
140.00203	1.6
146.99652	2.5
149.01204	3.8
152.98598	1.9
154.28789	1.6
155.94237	1.4
158.99670	12.9
161.01115	1.6
164.07053	2.2
165.09117	2.8
173.01248	5.7
177.00714	10.5
183.00166	1.7
191.02341	3.0
201.00870	1.4
209.08504	9.4
219.01793	11.9
227.09624	6.7
237.02780	18.9
251.04547	2.0
251.09596	4.5
260.04605	1.5
269.10678	5.2
311.11795	1.5
371.13742	80.1
372.14218	3.4
409.92755	1.9
413.15057	24.9
457.14682	100.0
457.24036	11.6
458.14984	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	457.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
62.07450	0.5
69.23791	2.5
70.06599	4.6
72.08145	1.2
75.04748	0.4
76.46173	0.4
86.09723	2.1
100.11243	0.6
105.07076	0.5
117.03396	1.1
118.03678	0.6
119.83829	0.4
121.87743	0.4
127.18600	0.4
137.06000	1.5
142.85890	0.5
145.02859	3.4
146.03195	2.0
149.49623	0.4
150.81349	0.5
162.60452	0.4
176.84254	0.4
177.05495	7.2
178.05824	6.1
178.53368	0.4
191.10390	0.5
193.12009	1.0
201.03719	0.5
203.05307	1.4
209.11459	3.0
213.12433	0.7
229.15753	0.4
233.35085	0.5
243.04819	1.3
245.06389	2.5
251.11281	0.5
287.03815	4.7
289.05261	5.7
294.13446	0.6
295.13846	1.0
333.69598	0.5
353.15839	0.7
371.16742	4.5
380.51584	0.5
395.16864	1.6
413.17841	25.7
414.17963	0.5
439.10303	0.4
439.15799	5.6
457.16809	100.0
458.17133	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	457.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	0.8
69.03416	0.8
70.06593	10.8
71.05012	0.8
71.46506	0.8
72.08138	3.3
83.06087	0.9
84.04507	1.3
84.08145	0.8
85.02879	1.0
85.05367	0.8
86.09705	8.4
97.02899	0.9
102.05595	1.0
107.04927	2.3
109.10154	0.7
116.07081	1.1
117.11566	0.7
120.08078	2.3
136.07552	0.9
137.05949	2.5
143.25041	0.8
146.86397	0.8
163.07571	4.6
177.05476	1.3
183.14970	1.2
191.14337	1.4
199.74173	0.8
209.11534	4.7
211.14371	1.6
220.55807	0.8
229.15501	1.0
233.91446	0.9
239.60095	0.8
274.61496	0.8
289.05203	1.0
295.15082	0.9
353.15720	1.3
371.16803	6.9
395.16904	1.4
413.17773	30.8
427.15955	0.9
457.16727	100.0
458.17270	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	457.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
57.03427	1.9
61.02928	0.6
67.13647	0.4
69.03416	2.2
70.06589	2.1
70.62247	0.7
71.04987	2.1
72.08157	0.6
73.02921	0.5
81.03427	4.2
83.01076	0.5
84.01858	0.8
84.32580	0.4
85.02898	1.0
86.09703	0.7
87.69663	0.5
95.01101	2.3
98.97566	0.5
98.98461	2.7
99.04454	2.2
103.05436	0.5
103.55298	0.4
112.01316	0.8
113.02122	2.9
117.05497	2.1
121.06468	0.8
126.02924	0.7
137.05952	0.6
145.07649	0.6
149.05994	1.1
159.09128	0.6
165.48494	0.5
172.08701	4.7
173.07111	0.8
185.04227	4.7
189.05186	4.2
198.06654	1.0
200.08220	1.0
201.03670	1.2
203.05315	0.7
205.04759	1.8
216.07739	3.7
218.09389	0.6
220.07057	14.4
221.07741	1.1
224.11934	0.6
243.08763	8.9
259.07800	2.6
259.12820	0.6
263.08957	2.1
295.11603	0.8
341.12396	1.2
359.13477	7.3
396.09341	1.5
397.07663	0.6
414.10492	1.4
421.09003	1.5
426.14890	0.6
427.15805	2.2
439.10147	19.1
457.11319	6.6
457.16772	100.0
458.16998	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	457.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	0.3
53.47432	0.2
55.01868	0.3
55.05517	0.3
57.03431	0.3
63.02385	0.5
65.11747	0.2
65.25006	0.2
67.05503	0.7
69.03435	2.5
69.07072	0.5
69.48506	0.3
69.48893	0.7
70.06594	3.0
71.04993	0.3
73.02892	0.3
74.71339	0.2
77.35648	0.2
78.04689	0.3
79.05533	0.4
81.03427	1.7
81.07048	1.0
83.04977	0.4
85.02910	2.8
87.00828	1.0
88.07637	1.8
89.03375	0.5
89.03913	6.6
91.05481	0.9
93.07046	0.4
95.04973	0.9
95.08607	0.9
97.02899	1.0
97.07486	0.2
99.04464	0.5
99.08110	0.4
105.01853	0.7
105.07030	0.6
105.10249	1.1
106.04166	0.3
107.08608	1.1
109.02878	1.3
109.06499	1.3
109.10148	0.8
117.03374	21.0
118.03712	0.6
119.08537	0.4
121.06512	0.4
121.10137	1.9
123.08093	0.8
127.03909	1.9
129.01781	0.2
133.10121	2.4
134.03644	1.5
135.04416	1.3
135.07996	0.4
137.09618	3.1
145.02843	59.0
146.03160	1.1
149.05975	7.4
149.09634	1.2
149.13252	1.0
149.82205	0.2
151.11172	7.9
159.02913	0.8
163.03883	0.3
165.12752	5.8
173.13272	0.7
177.05464	100.0
178.05798	2.6
186.05495	0.9
191.14304	1.9
193.15851	1.2
209.15366	18.2
210.15721	0.6
231.04822	0.3
234.11223	3.1
246.11314	1.1
263.13904	14.9
264.11972	0.3
264.14435	0.3
281.14941	13.2
282.15106	0.3
307.12823	0.5
337.10535	0.3
380.68741	0.3
439.18668	9.1
440.18433	0.6
457.18784	1.4
457.24280	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88626	3.2
55.05510	12.0
56.51743	3.4
56.96550	6.3
57.07054	3.6
61.21055	3.7
67.05506	3.4
69.03428	9.0
71.46232	5.8
72.08134	4.3
73.02925	7.7
79.05491	3.8
81.07046	9.0
83.04964	4.6
83.08632	5.8
85.02921	10.1
86.09727	8.7
87.10681	4.0
91.05463	5.6
93.07066	6.9
95.04958	4.5
97.02896	3.9
98.97579	24.5
100.11274	18.9
105.07043	7.7
107.04937	4.6
107.08596	17.6
109.10152	8.8
111.04472	5.2
116.98621	14.8
121.10146	10.8
127.03916	5.7
130.04892	3.4
131.00215	5.2
133.10132	100.0
134.10435	4.6
137.06104	5.7
137.09625	53.2
145.05013	4.6
149.13239	8.0
155.07048	5.6
156.13892	3.9
158.99666	9.3
173.13246	5.7
175.50250	3.7
177.00743	7.3
182.15318	8.7
185.16531	3.9
191.14290	66.7
198.14888	4.0
201.00877	3.5
209.15201	4.2
210.14870	9.6
211.15053	4.7
219.01900	4.6
232.07091	61.0
233.07742	8.6
248.06512	4.3
251.09688	7.6
293.10660	4.3
295.15259	9.8
305.08078	5.7
353.75934	6.1
371.13705	10.2
389.14767	8.7
390.76633	4.2
413.15244	5.6
456.35730	4.8
456.84909	12.1
457.15463	66.7
457.20844	22.2
457.28247	4.9
457.34528	7.9
458.15268	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	457.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.05500	2.2
65.03942	1.0
65.22209	0.7
67.05506	1.8
69.03431	6.1
69.07062	2.5
71.05012	1.0
78.21281	0.8
79.05496	4.8
81.03416	3.0
81.07050	5.3
83.04980	1.9
85.02917	3.8
87.00819	2.4
91.05487	4.5
93.07046	2.8
95.04960	1.5
95.08591	1.8
97.02900	1.9
98.23512	1.5
99.04448	0.9
100.95580	0.8
105.01858	1.7
105.07026	6.4
107.04952	3.1
107.08593	18.5
109.02869	2.3
109.06532	4.5
109.10172	5.9
115.05510	0.8
117.03345	0.9
117.07004	2.1
118.35954	0.7
119.08568	2.6
121.10144	10.7
122.07292	5.2
123.08012	1.2
127.03874	4.3
131.08557	1.3
133.10127	100.0
134.10469	3.0
135.08055	7.1
135.11682	1.4
137.09616	52.1
138.09924	1.0
145.02859	2.7
145.04944	1.0
145.10104	0.7
147.11700	1.7
149.06010	0.8
149.09634	1.5
149.13240	8.9
151.11179	7.0
158.10898	1.3
159.02916	1.1
163.14815	2.5
165.12794	5.2
173.13261	5.1
177.05464	4.6
191.14305	49.3
192.14691	2.2
193.15765	1.2
209.15366	19.9
212.22906	0.7
213.04044	0.9
220.44916	0.9
231.05003	1.1
243.39400	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
53.33429	1.4
55.01869	2.6
55.05507	3.8
57.07059	2.9
63.95190	1.4
67.05507	8.6
69.03438	10.9
69.07062	6.1
69.64928	1.5
71.05003	8.4
77.71921	1.5
77.75794	1.3
79.05505	10.2
80.58215	1.7
81.03413	5.8
81.07047	9.4
83.04962	5.7
83.08590	1.9
85.02907	12.9
85.06543	2.3
87.00830	5.4
90.68793	1.6
91.05482	7.3
93.07033	4.7
95.04953	4.2
95.08601	12.0
97.02892	5.9
97.06532	2.5
99.04460	2.0
99.08099	1.6
105.01846	3.6
105.07026	11.5
107.04945	2.4
107.08595	28.5
109.02876	5.2
109.06519	55.1
109.10156	26.9
111.08084	2.1
117.07002	3.5
119.08556	7.2
121.06495	3.1
121.10139	24.3
121.30233	1.7
122.07296	3.4
123.08038	9.9
125.09623	6.3
127.03905	9.3
131.08548	8.0
133.10132	74.0
133.11150	3.6
134.10371	2.3
135.08038	32.5
135.11684	3.3
137.09612	35.0
139.11192	3.6
145.04904	2.7
145.10144	3.7
147.11699	8.0
149.09604	6.3
149.13271	15.1
151.10028	3.0
151.11188	39.5
153.09100	2.7
158.10873	2.8
159.02885	1.9
163.14780	8.5
165.12717	2.5
173.13266	19.5
191.14308	100.0
192.14714	2.4
209.15370	59.7
210.15707	1.7
231.05017	2.1
253.01369	1.5
457.14780	3.2
457.20081	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	457.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.5
53.85504	0.9
55.01868	3.2
55.05508	1.6
57.03405	1.2
57.07069	2.4
59.05001	1.2
61.02916	2.2
61.42234	0.9
67.05503	8.0
69.03429	9.5
69.07081	2.1
69.29128	5.2
71.04996	5.5
73.02906	2.5
79.05482	5.1
81.03411	7.2
81.07073	7.9
81.69212	1.0
82.14206	0.9
83.05001	1.2
83.08624	1.1
84.04486	1.2
85.02900	16.9
85.03409	1.2
85.06549	5.0
87.00828	9.9
87.63786	1.0
91.05479	8.6
93.07044	7.1
95.04962	5.2
95.08616	7.8
97.02893	7.3
97.06515	3.8
98.23418	2.2
98.97579	1.2
99.04478	4.8
103.03905	1.2
104.29953	0.9
105.01875	5.8
105.07027	16.3
107.04983	1.2
107.08595	11.8
109.02914	5.2
109.06516	81.1
109.10153	19.6
110.06862	1.6
111.08064	1.9
117.07009	3.1
119.06113	1.2
119.08565	5.9
121.06412	1.3
121.10143	8.0
123.08058	12.1
123.11692	1.4
127.03904	11.3
129.01849	1.4
129.07045	1.2
131.07652	1.7
131.08568	23.5
133.10126	76.3
134.10452	1.8
135.08052	33.4
135.11670	0.9
136.08368	1.3
143.08537	1.7
144.09297	1.0
145.04951	4.5
145.10110	6.1
147.11699	3.9
149.09608	4.1
149.13261	3.3
153.09108	4.0
158.10919	5.2
159.02863	4.3
165.09117	2.9
173.13254	46.8
174.13663	1.4
175.11174	1.5
176.11578	1.4
181.15627	1.1
191.14305	100.0
192.14658	3.5
209.15366	40.0
210.15778	1.5
231.05037	2.5
330.49387	1.0
442.17844	2.2
457.14420	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
54.55649	0.3
55.01866	2.5
55.05511	2.9
55.78852	0.3
57.03434	1.5
57.07066	1.7
59.04996	0.6
61.02927	0.8
65.03947	0.9
65.10352	0.3
66.04704	0.5
67.05509	3.0
68.99789	0.9
69.03430	8.8
69.07069	4.3
69.70029	0.6
69.70413	1.1
70.06599	0.5
71.04993	1.9
72.08155	1.0
73.02925	1.4
74.45485	0.3
77.03931	0.6
79.05496	20.6
81.03423	8.5
81.07058	55.3
82.07391	0.9
83.01347	0.4
83.04984	6.0
83.08626	3.2
85.02905	13.4
85.06552	0.9
87.00834	6.2
91.03967	0.4
91.05482	3.7
93.07049	8.6
95.04971	5.6
95.08612	5.0
97.02891	5.9
97.06530	4.0
99.04453	3.5
99.08073	0.5
103.03938	0.4
105.01868	4.3
105.04514	0.7
105.07036	4.1
107.04942	0.7
107.08594	6.5
109.02885	7.3
109.06520	100.0
109.10155	4.7
110.06858	1.6
111.04436	0.7
111.08070	2.8
113.09652	0.4
115.03933	1.0
115.05459	0.4
117.01871	0.8
117.06985	0.6
119.08595	3.5
121.06493	1.2
121.10153	5.7
123.08068	3.1
123.11703	4.4
125.06013	0.7
125.09635	1.3
125.13287	0.5
127.03918	11.7
128.04219	0.3
129.01840	1.0
129.06992	0.6
131.08559	3.4
133.06500	0.4
133.10138	10.6
135.08044	6.5
135.11682	1.1
136.08405	0.4
137.05931	0.6
137.09612	1.0
139.07529	0.9
139.11179	2.0
141.03340	0.3
143.08562	0.7
145.04945	3.5
145.10112	1.5
147.02902	1.0
147.04399	0.6
147.08018	1.1
147.11682	1.6
148.04750	0.4
149.05907	0.4
149.09631	1.6
149.13261	4.8
151.07535	0.9
151.11183	1.7
153.09096	5.5
156.68210	0.3
158.10916	1.0
159.02914	3.1
161.13292	0.6
163.07582	0.4
163.11115	0.3
163.14804	1.3
165.09091	1.1
165.12727	0.5
167.14319	2.5
171.10191	0.6
173.13264	7.8
175.11307	0.3
175.14799	0.5
177.05444	0.4
189.03938	0.9
189.12761	0.4
191.14310	24.0
192.14644	1.5
209.15369	18.5
210.15631	1.0
213.03908	0.9
231.04974	2.1
231.13470	0.3
233.15340	0.4
259.09628	0.5
299.16299	0.4
329.63852	0.4
371.16385	0.5
413.17767	1.9
427.21909	0.5
439.19226	1.1
448.79306	0.3
457.15887	4.2
457.23685	0.7
458.16818	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99717	0.5
53.03945	2.1
55.01873	2.6
55.05507	1.9
57.03451	1.4
57.07071	2.4
59.04986	0.8
60.02858	0.6
61.02922	1.8
67.05502	6.3
68.99799	1.1
69.03433	8.2
69.07066	2.2
71.04987	6.2
73.02909	2.0
79.05489	5.3
81.03418	6.7
81.07063	5.9
83.08621	1.0
84.04495	1.0
85.02906	17.3
85.06543	3.4
86.06059	1.0
87.00827	7.6
88.03977	0.6
88.66415	0.6
91.02290	0.6
91.05474	7.8
93.07034	6.9
95.04971	5.9
95.08604	5.7
97.02893	7.3
97.06537	3.8
99.04458	3.8
100.11287	0.6
104.99304	0.6
105.01877	5.3
105.07027	12.4
107.08595	12.5
109.02886	5.5
109.06519	100.0
109.10156	22.8
110.06868	1.8
111.08102	3.1
115.05448	0.9
116.98640	0.7
117.01837	1.2
117.07029	2.8
117.73932	0.6
119.08601	4.2
121.06509	1.1
121.10159	7.9
123.08070	12.9
127.03918	8.3
127.27773	0.7
129.07018	1.4
131.08566	20.8
133.10130	49.0
134.10448	1.1
135.08054	41.9
137.09619	0.8
143.08568	2.4
145.00935	0.6
145.04976	4.1
145.10091	4.6
147.11676	3.8
148.08804	0.7
149.09610	4.5
149.13298	2.8
150.10347	1.1
151.07491	1.0
151.11188	0.9
153.09103	5.0
158.10913	3.8
159.02901	3.0
163.11176	1.1
163.14793	1.3
165.09061	1.0
171.11699	0.7
173.13258	31.3
174.13560	1.4
176.11971	0.7
185.44411	0.5
191.14308	90.2
192.14682	3.8
209.15366	44.6
210.15656	2.0
231.04959	2.5
276.03119	0.6
292.98529	0.7
347.89502	0.6
348.52585	0.6
359.18146	1.0
375.06830	0.8
457.14725	1.4
457.19598	1.5
457.23544	2.0
457.32773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75932	0.5
69.03427	0.6
69.62309	1.8
72.08164	0.5
84.08152	2.4
89.03925	4.0
101.10748	0.5
102.09160	1.2
117.03378	16.1
119.11819	1.6
122.32376	0.4
134.03616	1.0
135.04376	1.1
136.06184	1.0
145.02850	54.4
145.09731	0.6
146.03165	1.5
149.05966	4.9
177.05469	100.0
178.05814	2.2
227.19644	0.4
248.12831	9.3
260.12894	0.5
263.67035	0.4
266.88052	0.5
277.15475	15.3
295.16525	7.6
314.17886	0.4
410.18546	1.0
439.20813	11.6
457.21820	14.8
470.79089	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05516	23.5
57.03442	13.9
57.07079	3.7
62.54948	1.1
65.03929	1.1
67.05505	50.3
67.05867	2.4
69.06709	1.9
69.07070	33.0
69.58179	4.8
70.06583	1.3
71.04978	1.2
71.08632	1.9
74.66206	1.0
75.04478	1.3
77.68645	1.1
78.41373	0.9
79.05496	15.0
81.07056	51.6
83.04964	1.5
83.08620	16.1
85.06569	1.9
91.05483	9.4
93.07041	14.4
95.05009	1.2
95.08606	33.4
97.06534	3.1
97.10162	8.4
98.98476	4.4
99.08112	1.1
105.07021	6.8
107.08585	7.0
109.06496	1.4
109.10149	11.0
111.08093	1.8
111.11738	1.3
119.08579	5.6
120.96638	72.0
121.10167	5.1
123.11720	3.5
125.09634	1.1
133.10152	4.7
133.83006	1.0
135.11707	2.3
137.13243	1.1
142.90376	0.9
147.11699	3.0
156.97514	4.6
163.14868	1.2
173.02182	1.4
174.98575	2.2
175.14903	1.3
195.00276	6.6
213.00127	3.9
263.23630	1.3
321.22739	1.5
337.27362	100.0
338.27692	4.9
359.25577	30.9
360.25970	1.8
416.68073	1.2
439.21829	3.0
457.23227	90.6
457.30685	3.6
457.39978	2.9
458.23764	4.7
458.29681	0.9
458.38342	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	457.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.3
55.65417	1.1
57.03440	10.5
57.07080	3.4
66.04057	1.1
67.05506	48.9
67.15133	1.3
69.07070	31.4
69.99334	1.1
70.09479	2.6
70.09800	1.5
71.08659	1.0
77.29771	1.1
79.05492	14.8
81.07058	49.4
81.81331	1.1
82.07395	1.4
83.04972	2.3
83.08611	13.1
85.06562	1.4
91.05476	7.0
92.23874	1.1
93.07044	13.8
95.08609	35.5
96.08952	1.3
97.06544	4.9
97.10154	5.9
97.58264	1.1
98.22760	1.7
99.08098	1.1
105.07030	7.1
105.37913	1.2
107.08603	6.6
109.06523	1.4
109.10148	14.2
119.08579	5.8
120.96642	77.6
121.10136	5.1
123.11726	5.2
133.10147	4.4
135.11713	3.5
137.13257	1.8
143.75737	1.3
147.11699	3.8
149.13290	1.3
155.06805	19.6
156.97484	4.2
161.13261	1.8
161.99207	1.7
174.98567	2.6
175.14833	1.8
195.00406	6.8
213.00104	4.6
256.26541	1.5
263.23764	2.3
325.21451	3.4
337.27371	100.0
338.27771	5.6
359.25571	34.5
377.27039	1.4
439.22238	2.1
456.41391	1.5
457.23105	87.0
457.29288	31.7
457.40186	2.2
458.23376	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	457.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
59.88737	1.2
62.96271	1.2
69.03440	1.9
69.07084	1.4
70.04990	2.5
71.04985	1.6
72.08161	2.5
72.97091	1.1
77.03947	1.2
79.05508	3.5
81.07063	5.4
85.02915	1.5
86.09708	5.1
91.05503	2.7
95.04945	1.8
98.22818	1.7
101.06493	1.2
102.77023	1.2
103.12354	1.7
104.35693	1.1
105.07021	1.7
107.04972	1.6
107.07787	1.1
108.30636	1.2
109.02914	1.3
109.06506	8.7
119.04964	7.9
122.03646	3.4
127.03915	1.6
130.12320	2.1
137.05984	69.3
145.06494	1.4
147.04407	16.0
148.04779	2.7
149.04974	1.4
149.06052	1.5
151.03963	3.4
158.03674	1.6
161.06035	4.9
162.06816	3.2
173.06044	5.8
175.04016	1.5
178.07755	2.0
185.05919	1.3
186.03198	4.0
189.07068	1.5
191.14359	2.5
199.07545	1.6
200.07932	1.5
201.05453	54.1
202.05934	3.1
205.06564	4.7
206.07259	3.9
209.15384	3.2
213.05498	8.3
217.06560	3.0
218.07317	2.5
221.06064	1.5
221.09636	1.3
222.06726	2.9
231.06630	4.3
233.05980	7.5
234.06749	19.8
235.07607	4.7
237.09256	3.8
245.06087	6.0
246.06749	2.5
248.08360	2.1
249.05191	1.6
249.09070	6.6
250.06184	6.2
251.07056	3.2
259.07608	2.5
261.05563	1.9
262.06268	23.9
263.07111	5.1
264.07867	3.1
265.08496	11.5
266.09314	1.4
272.04877	1.4
273.05457	6.9
274.06329	3.7
275.06998	1.8
276.07959	3.4
277.05478	2.1
277.08612	23.6
278.05887	3.5
278.09097	1.8
279.06540	3.4
287.07126	3.7
289.04999	1.6
290.05746	38.9
290.08920	2.2
291.06345	3.0
291.10150	2.3
292.07214	7.8
293.08078	11.2
293.18558	6.9
294.08911	5.0
295.09634	3.1
295.15366	1.5
297.11237	1.5
304.07217	1.8
305.08093	57.9
306.08618	4.6
307.06293	2.6
307.09531	16.6
308.10318	1.4
309.11322	3.9
319.09595	7.6
322.08417	6.7
325.10693	37.8
325.14505	2.0
326.11160	1.4
337.10696	100.0
338.11197	4.3
339.08835	1.6
355.11774	28.6
356.12094	1.8
371.17014	1.5
413.17737	2.8
427.22296	70.3
428.22900	4.9
439.22440	4.7
457.10117	2.3
457.17062	5.6
457.23593	58.1
458.23996	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	457.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21484	0.6
60.12240	0.5
66.69025	0.5
67.05527	1.0
69.07082	0.8
71.05023	1.8
77.38150	0.5
79.05465	1.1
81.07082	0.8
82.67189	0.5
82.70486	0.6
83.15515	0.5
84.04517	0.8
84.08157	0.5
85.02909	0.7
86.09711	1.1
91.05482	2.2
94.04181	1.1
95.04953	1.0
103.03921	0.6
105.07041	1.5
109.06505	1.7
112.07668	0.6
112.11256	0.5
115.05418	0.8
117.07024	0.7
119.04960	1.8
122.03633	2.9
129.10220	1.9
130.04160	1.2
133.06497	0.7
133.10161	0.6
137.05977	55.5
138.06329	0.8
145.06531	1.5
145.13783	0.6
146.03583	0.8
147.04398	3.7
148.05997	0.8
149.05917	0.9
149.13263	0.6
151.03893	3.1
158.03616	1.3
161.06003	4.7
162.06808	2.4
173.05977	3.5
173.13330	0.9
175.03951	1.0
178.07820	1.5
185.05920	0.7
186.03168	2.6
189.05496	0.6
189.06998	2.7
191.14360	1.0
201.05466	48.1
202.05878	1.1
205.06493	3.5
206.07254	3.5
208.05513	0.6
209.11475	1.6
213.05513	5.1
217.06502	3.2
218.07259	2.4
219.08087	0.6
221.06018	0.9
221.09601	1.0
222.06728	1.3
231.06374	4.3
233.05943	4.4
234.06749	15.0
235.07440	4.5
236.08247	0.7
237.09102	1.8
244.05289	0.7
245.05948	4.8
246.06735	1.7
247.07561	1.4
248.08301	1.0
249.09132	6.7
250.06422	2.7
251.07022	2.5
259.07428	2.1
261.05444	2.4
262.06253	18.9
263.06970	4.0
264.07816	2.5
265.08612	4.7
266.09451	2.1
273.05472	5.0
274.06216	2.6
275.06842	0.9
276.07803	1.9
277.08597	20.9
278.05859	1.5
278.09128	1.1
279.06516	3.3
279.09552	0.9
280.07349	1.1
282.08817	0.9
287.07080	3.4
287.10880	0.6
288.08023	0.6
289.04959	1.5
290.05725	29.9
291.06198	1.9
291.10135	2.0
291.13190	0.6
292.07239	3.3
293.07980	6.1
294.08902	4.1
295.06573	0.8
295.09537	3.5
296.09155	1.3
296.18515	0.7
297.11353	0.9
304.07303	3.0
305.08072	54.9
306.08521	3.6
307.06000	2.3
307.09644	6.6
308.10239	0.6
309.11246	3.6
319.09641	4.6
322.08359	4.9
325.10690	13.3
337.10687	100.0
338.10995	4.4
339.08533	0.9
355.11755	35.5
356.11996	1.5
371.16684	2.3
406.20367	0.6
413.17795	5.6
427.22272	4.2
439.22665	1.1
456.34576	0.9
457.16705	14.5
457.23492	27.4
458.16867	0.6
458.23849	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	457.2564
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17923	1.4
55.05502	7.1
57.03431	7.8
57.06817	2.1
57.07079	25.7
67.05503	11.7
69.07066	9.8
70.09924	2.8
70.10234	2.0
71.08631	21.6
79.05489	9.4
81.07053	15.3
83.08618	6.9
83.09044	1.5
85.10175	11.9
86.63374	1.4
89.06020	2.6
91.05488	4.3
93.07039	5.8
94.95866	1.6
95.08607	15.8
97.10167	3.9
98.98450	15.3
103.07592	1.5
105.07024	4.7
107.08585	4.5
109.10161	6.2
111.11683	2.4
117.07027	2.2
119.08582	6.6
121.10116	3.0
123.11750	3.1
125.06010	3.7
125.13182	1.6
129.07054	1.4
131.08563	4.4
133.10147	3.7
135.11662	2.0
140.99495	3.9
143.08492	1.6
145.10141	4.3
147.11694	2.5
155.01064	3.6
159.11728	4.0
161.09612	2.6
161.94591	1.4
169.10056	1.7
171.11655	1.6
173.02167	2.9
175.11195	1.9
179.10535	1.9
183.11674	1.5
187.03177	1.4
187.14836	2.6
189.41330	1.3
197.02055	3.9
201.16452	2.1
211.20642	1.8
229.21666	3.1
267.21164	1.9
285.24307	100.0
286.24838	3.0
303.23135	3.3
359.26028	3.2
364.24673	1.4
377.26987	2.2
457.25522	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2933
Annotation	Chaxalactin B
Peak:m/z	Relative Intensity
51.89545	0.7
56.41219	0.8
56.43399	0.7
57.07083	1.2
57.65645	0.8
67.05499	1.4
69.07061	2.3
71.08620	1.2
73.52314	0.8
78.08799	0.8
79.05482	1.8
81.07066	1.8
87.05485	0.7
91.05478	1.2
93.07037	1.1
95.08577	1.4
98.23533	1.7
99.00578	46.6
104.99294	5.4
105.07015	5.2
107.08605	1.4
120.96663	1.4
124.20647	0.7
133.06465	3.8
133.10089	1.0
134.07294	1.8
135.08044	5.9
151.07556	2.1
155.06790	100.0
156.07100	1.2
165.03728	2.8
179.05249	1.5
196.09378	3.9
261.96548	0.8
277.16248	1.9
295.17319	7.3
323.19714	1.2
325.21378	5.2
337.27396	1.6
375.25055	15.2
383.20264	2.0
397.22772	1.9
457.24115	4.6
457.29211	81.1
458.29654	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	458.327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79160	3.0
55.05517	17.2
57.07087	6.1
67.05502	18.3
69.07078	23.3
70.93295	3.4
71.08649	3.2
79.05506	16.5
81.07060	51.1
82.93704	3.3
83.08633	10.7
85.06556	3.1
85.11142	3.3
91.05477	21.7
93.07047	26.5
94.07508	3.1
95.08612	62.9
97.06562	3.8
97.10179	6.8
105.07037	31.8
107.08593	48.1
109.06526	4.7
109.10159	34.2
117.07029	11.9
119.08578	65.6
121.06486	3.5
121.10161	33.8
123.11694	16.6
125.09667	4.9
128.06122	3.2
129.07008	5.2
131.08577	21.2
133.10144	29.9
135.11720	21.4
137.13338	6.4
142.07799	5.1
143.08572	10.6
144.09386	5.0
145.10127	60.1
145.67831	3.4
147.11676	20.3
149.13210	17.1
151.07578	10.8
154.08578	4.4
156.09346	6.5
157.10135	26.5
158.10838	4.9
159.11705	100.0
161.13269	19.5
162.63025	3.4
163.14877	17.8
171.11710	20.7
173.13258	30.3
175.14828	7.7
185.13332	19.4
187.14827	43.4
189.16353	14.9
191.10736	5.2
191.14406	5.9
191.17963	33.2
199.14792	19.3
201.16402	6.9
213.16374	28.0
217.15895	4.8
227.17995	8.8
231.17442	3.7
241.19661	4.6
243.21101	21.4
246.26048	3.3
269.22665	56.2
270.22955	5.1
287.23682	29.2
305.24756	20.1
338.27737	6.0
407.05963	3.4
458.23264	8.3
458.28918	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	458.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42638	2.7
55.05510	36.3
57.07082	19.0
67.05499	33.0
69.07069	55.8
69.83115	8.9
69.83469	4.2
71.08632	6.6
75.28716	3.1
79.05486	23.9
81.07054	80.2
81.41753	2.9
83.04964	4.6
83.08616	22.8
85.10183	3.9
89.06044	4.5
91.05470	30.3
93.07041	54.1
95.04956	5.2
95.08601	83.3
97.06514	5.6
97.10162	9.1
105.07036	68.2
107.08597	79.3
109.06525	9.1
109.10147	57.5
111.08069	8.2
111.11756	5.1
117.07051	7.9
119.08583	100.0
119.09422	6.7
121.06516	13.4
121.10136	64.1
121.22665	3.2
123.08060	10.4
123.11690	25.6
124.18397	3.0
128.06284	3.3
129.07016	7.1
130.07790	4.3
131.08548	34.1
133.08580	3.6
133.10135	56.7
135.08032	30.4
135.11682	35.7
137.09648	6.9
137.13252	11.5
142.07803	5.6
143.08536	21.0
145.10123	51.5
147.07994	4.0
147.11676	38.5
149.09612	10.1
149.13254	20.7
151.07523	8.2
151.11203	6.0
156.09349	3.8
157.10143	32.4
158.10930	3.7
159.11696	56.4
161.09656	10.3
161.13263	33.9
163.11214	10.5
163.14850	22.1
165.09149	10.7
170.10930	4.7
171.11688	22.9
173.13271	31.8
175.11266	6.7
175.14832	27.0
177.12791	6.5
177.16377	20.4
180.69412	3.9
184.12492	4.0
185.13271	23.4
187.14763	30.0
189.16367	30.9
191.14328	8.7
191.17953	7.1
199.14801	25.9
201.16380	29.4
203.14392	8.6
203.18024	12.4
205.15895	26.2
207.17468	13.0
207.26678	3.1
213.16368	26.5
215.18013	10.5
217.15898	16.2
219.17453	4.1
220.57486	3.4
227.17924	9.7
229.19530	12.3
231.17464	12.6
231.21172	7.9
245.19023	5.4
259.24237	9.3
269.22656	83.8
287.23685	58.9
288.24084	4.2
315.17950	11.8
337.72504	3.4
458.23618	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	458.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49700	0.6
52.75795	0.6
52.76587	0.5
53.03943	0.6
55.05516	11.7
56.57622	0.5
57.03432	3.1
57.07080	4.6
58.06601	21.5
59.07384	5.6
60.08166	8.6
67.05509	4.9
68.05857	0.9
69.07076	14.0
70.06622	0.7
71.04984	0.8
71.08635	2.0
72.46391	0.6
75.04472	2.3
75.39202	0.6
79.05490	1.2
81.07053	4.6
82.00271	0.7
82.07359	0.9
83.08622	8.8
85.02888	1.4
85.10168	1.3
86.09723	0.8
87.04482	0.9
91.05499	1.5
93.07043	1.5
95.08604	5.6
97.10172	4.5
98.98475	1.2
105.07084	0.6
107.08613	1.3
109.10184	1.6
116.07091	0.6
119.08607	2.1
120.96661	5.5
121.10168	0.9
123.11737	0.7
131.07112	0.6
135.11707	0.8
140.99460	1.2
144.10219	2.8
145.10153	1.1
146.98158	1.6
159.11746	1.7
161.13231	0.7
187.14680	0.7
213.16492	0.6
236.14931	1.1
239.88135	0.7
243.21138	0.7
269.22751	0.9
287.23782	0.9
313.27460	1.2
338.27710	5.8
339.28915	1.1
360.25961	1.1
458.24301	5.5
458.38419	100.0
459.24844	12.2
459.31708	1.0
459.38666	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	459.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	36.0
57.19673	1.6
59.65459	1.6
69.03427	2.3
70.06596	3.6
70.98129	1.8
76.07761	1.8
84.96035	16.3
85.02921	6.4
87.64814	1.8
97.02901	4.8
98.97586	100.0
102.97042	2.2
110.97579	27.8
112.99123	5.3
116.97779	2.6
116.98622	53.3
121.06515	6.6
124.99171	3.0
128.98601	36.4
131.00182	5.5
134.99660	12.5
135.38483	1.5
138.09138	3.9
140.98643	5.4
141.60199	1.5
143.00137	12.3
144.98132	4.9
146.99658	18.5
149.01233	4.0
151.03819	1.5
152.98679	2.4
158.99661	11.4
161.01236	20.2
162.99178	1.9
170.99606	8.3
174.83727	1.5
177.00716	14.1
177.05482	2.0
179.02310	4.7
181.98955	1.9
182.99744	2.8
183.08849	1.7
184.00397	1.8
189.00635	8.8
192.31526	2.1
194.99567	2.2
196.00392	2.7
197.01263	5.6
201.00645	9.5
213.00739	4.9
214.01564	3.1
215.02342	2.0
218.99623	2.8
219.01767	55.7
237.00917	3.5
237.02832	74.2
242.03366	2.4
255.01646	2.6
255.04010	3.8
258.00510	9.6
260.04544	3.3
261.02832	22.7
273.02829	35.7
276.01556	5.5
279.03864	25.4
291.03885	44.7
297.02814	2.5
315.03882	14.8
329.05258	3.2
333.02545	1.8
336.01572	4.2
339.03824	9.2
341.05463	4.5
351.03848	7.3
357.04932	5.6
359.06625	3.4
369.04874	3.7
381.04901	5.5
399.06018	52.6
400.06348	3.6
417.07037	67.3
440.08896	2.5
459.08029	4.2
459.18320	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61668	0.6
55.05510	1.0
69.03425	0.7
70.06577	1.1
71.46384	0.8
72.08160	3.5
86.09689	5.6
90.31136	0.7
91.05481	1.0
100.11293	1.0
106.38826	0.8
107.05000	0.7
111.04375	0.7
119.04914	1.8
121.06523	1.0
145.02882	0.9
147.04411	4.7
163.03918	1.4
177.05455	1.4
181.38106	0.7
211.13091	5.3
214.14485	0.9
224.64621	0.6
239.12535	1.2
247.12912	0.9
253.14148	0.7
262.51593	0.7
270.11282	4.0
298.10770	2.7
327.14130	0.7
355.17163	1.6
373.14096	1.2
373.18356	12.2
397.18369	2.0
415.19406	29.8
416.20010	1.1
458.34012	1.0
459.18323	100.0
460.18927	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	459.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18065	2.8
55.01867	3.8
55.05509	8.7
56.96548	3.3
57.17205	2.8
57.93059	2.8
58.52661	2.8
60.01080	3.1
62.61438	3.0
67.05511	13.4
69.03426	8.2
69.07075	11.9
70.14166	5.7
70.14504	4.0
81.07059	21.2
83.04989	10.0
83.08628	3.4
85.02929	7.7
87.00846	6.0
91.05508	3.7
93.07065	9.3
95.08622	32.7
99.08115	4.8
100.11250	5.0
105.01947	3.3
105.07076	4.3
107.08599	19.0
109.06574	7.6
109.10160	93.9
119.08575	29.5
121.10160	12.6
123.08096	11.7
123.11722	7.4
133.10143	18.8
135.11699	89.4
137.09645	20.7
149.13307	6.6
151.11174	7.5
151.14842	13.4
175.14824	33.9
193.15877	50.3
210.69545	3.1
211.16946	100.0
211.18884	6.4
453.06946	3.2
459.16229	7.7
459.22104	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	459.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.8
55.05510	7.4
57.07069	2.8
59.04981	1.6
59.72727	1.2
67.05500	12.8
69.03423	9.6
69.07064	11.2
69.33116	3.3
69.33504	2.9
71.05007	2.1
79.05492	3.7
81.03427	1.9
81.07056	17.7
83.04975	11.2
83.08612	8.4
83.52142	1.4
84.81744	1.5
85.02908	7.3
85.06564	3.8
87.00848	3.2
91.05475	3.6
93.07059	6.2
95.08609	31.2
97.02897	2.8
98.22742	2.2
99.04470	1.7
99.08092	4.8
101.69265	1.7
105.07034	7.8
107.08597	18.9
109.02872	2.6
109.06546	9.0
109.10160	100.0
109.90446	1.2
110.10496	2.2
111.08106	2.0
113.09676	1.6
119.08581	31.1
121.10165	12.1
123.08081	12.5
123.11690	8.8
125.09607	1.6
127.03939	5.8
133.10124	19.1
135.11690	96.1
137.09612	16.9
139.11182	1.8
149.13217	6.5
151.11189	10.1
151.14850	10.1
153.12741	3.6
165.16316	3.3
175.14822	42.9
193.15887	53.8
211.16931	80.3
212.17361	2.5
239.65276	1.5
459.18597	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26142	0.2
55.05503	0.6
57.07065	0.2
67.05494	1.3
68.05028	0.5
69.07067	0.9
69.98883	0.6
70.06591	65.2
70.26108	0.2
71.06928	0.4
75.97161	0.2
76.03557	0.2
79.05500	0.9
81.07056	1.6
91.05476	1.4
93.07059	1.2
95.08602	1.5
97.06524	0.2
105.07030	1.5
107.08589	0.8
109.10152	0.8
116.07091	100.0
117.07485	1.2
119.08569	1.2
121.10137	0.7
123.08085	0.3
123.11695	0.4
127.08669	0.7
130.07787	0.2
131.08548	0.6
133.10136	0.7
135.08112	0.2
135.11678	0.6
137.13251	0.2
145.10107	0.4
147.11679	0.4
149.13261	0.2
151.07529	2.5
156.99329	1.6
159.11636	0.3
161.13171	0.3
165.09084	0.8
173.09207	4.4
185.15341	0.3
187.14755	0.3
191.10651	0.7
203.10881	0.2
205.12257	0.3
207.72060	0.2
290.94119	0.2
295.81506	0.2
301.13873	0.3
309.22437	0.6
316.26321	0.3
325.21143	0.2
344.25650	0.5
381.27557	0.2
459.21545	0.6
459.28659	0.4
459.41467	0.2
460.39395	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01870	1.0
55.05515	3.9
57.07071	1.8
67.05508	8.8
68.24025	0.4
69.07071	11.4
71.08634	1.3
79.05490	4.3
81.07059	14.0
83.04960	1.2
83.08631	2.1
88.93805	0.4
89.06032	0.5
91.05493	4.3
93.07047	8.0
95.04931	0.4
95.08019	0.9
95.08607	12.2
95.09214	0.6
97.06521	0.4
97.10149	1.3
102.18469	0.4
105.07043	3.6
107.04966	0.4
107.08602	5.5
109.06537	0.6
109.10165	11.0
111.08082	1.6
111.11736	0.6
117.07030	0.9
119.08588	5.5
121.10140	5.2
122.07282	1.1
123.08089	0.8
123.11703	2.8
125.06007	1.0
128.06238	0.5
131.08578	1.9
133.10123	2.9
135.08064	1.7
135.11690	2.8
137.09615	9.1
137.10643	0.5
137.13245	1.4
140.99492	0.7
143.08595	0.9
145.10107	2.1
147.08055	0.7
147.11694	1.7
149.09612	5.5
149.13252	2.1
151.07552	4.0
157.10066	0.5
159.11700	2.2
160.08827	0.5
161.09589	0.6
161.13232	0.9
163.07626	0.5
163.11256	1.9
163.14798	0.8
165.09122	100.0
166.09482	1.9
171.11665	0.5
172.08838	0.6
173.09651	1.1
173.13286	0.6
175.11172	1.5
175.14847	0.8
177.09114	4.3
177.12666	0.6
177.16359	0.8
179.10631	0.9
187.11197	1.8
188.86229	0.4
189.09056	2.4
189.12740	1.1
189.16379	0.8
190.09877	1.3
191.10664	3.7
197.02118	1.0
199.11391	0.4
201.12813	0.4
202.09962	0.7
203.10681	3.6
203.14391	0.4
203.17941	0.6
205.10352	0.5
205.12239	8.9
213.12679	0.6
217.12260	1.1
225.09042	0.4
225.12955	0.4
229.12279	0.7
231.13829	1.2
235.13264	0.9
243.13768	1.1
245.22601	0.4
255.13814	0.8
257.15353	1.0
259.24219	0.8
271.24173	0.8
274.23138	0.4
285.18546	1.2
297.18350	0.5
309.22501	0.9
312.01849	0.4
411.32227	0.5
423.32489	1.9
441.33386	1.1
459.33118	12.6
460.33591	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03947	1.7
69.03423	1.6
69.13580	1.1
69.13985	2.6
70.06583	0.9
71.19016	0.5
72.08147	1.2
80.96798	0.4
84.08185	0.5
85.02914	3.4
86.09696	3.0
86.91491	0.5
91.05480	16.6
95.04987	0.8
97.02893	1.0
103.35322	0.5
107.04953	2.2
119.04940	27.0
120.05270	0.9
127.03978	0.5
137.05981	0.6
147.04402	100.0
148.04758	2.2
153.07013	0.6
181.06427	1.6
182.07364	0.6
185.05948	1.2
196.07640	0.8
197.05934	0.6
208.07562	0.6
209.08311	1.1
210.06902	0.8
211.07559	0.8
220.05420	1.2
220.07596	2.6
221.08322	1.2
224.08347	0.7
225.09200	0.7
226.06189	2.0
228.10193	0.7
235.07503	1.6
236.06984	2.5
237.05562	0.7
237.07813	9.6
238.06241	3.4
238.08572	1.3
241.08615	2.9
248.07042	0.7
249.07851	0.7
250.06256	1.5
250.08754	0.7
251.06981	0.8
251.09387	0.6
252.10188	13.9
253.08563	2.2
254.05769	1.8
255.06503	1.1
263.06946	0.6
264.06519	1.0
265.07355	2.4
266.05627	1.1
266.08060	2.7
267.08899	1.0
269.08023	10.3
270.08786	2.4
270.11246	1.9
278.57626	0.5
279.04993	5.1
280.09677	27.7
281.07504	0.9
281.10364	2.8
282.07550	5.9
283.08344	2.4
296.09180	1.4
297.09821	1.2
298.10724	58.4
299.11127	2.5
460.16144	1.3
460.21918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46400	0.4
51.04310	0.5
60.04528	0.6
61.02928	0.4
65.02489	0.4
65.03931	1.3
69.03426	0.7
69.15154	3.0
70.06567	0.6
72.08133	0.8
73.02904	0.5
85.02893	2.1
86.09700	1.8
91.05479	12.6
97.02901	0.6
98.23432	1.0
107.04937	1.7
112.11137	0.5
119.04940	24.2
126.87656	0.5
142.78857	0.4
147.04404	100.0
148.04730	2.2
168.05627	0.5
181.06496	0.6
185.05980	0.6
185.16539	0.7
202.58324	0.5
208.07780	0.5
209.05937	0.7
209.08301	0.7
210.06750	0.8
210.09023	0.7
216.09842	0.7
220.07616	1.5
226.06317	0.9
227.09389	0.5
235.07504	1.0
236.07092	1.3
237.05611	1.0
237.07813	4.3
238.06189	1.3
238.08597	0.7
241.08583	2.1
248.07022	0.6
249.07863	0.5
250.06262	0.9
252.10199	8.0
253.08493	0.8
254.05611	0.9
255.06511	0.9
265.07407	0.8
266.08148	1.7
269.08121	5.3
270.08722	1.2
270.11340	1.4
279.04959	5.3
280.09686	16.8
281.07419	0.9
281.10397	1.9
282.07620	3.8
283.08313	1.8
296.09250	1.4
297.09894	0.6
298.10736	41.8
299.11212	1.1
429.04974	0.5
459.29132	0.8
460.15854	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	7.4
55.01873	9.5
57.03442	4.7
60.04528	1.5
61.02929	4.3
63.42430	0.6
63.90868	0.6
68.99785	2.9
69.03065	1.4
69.03432	26.1
69.37178	3.6
71.04990	4.4
73.02913	7.6
74.06033	0.9
80.05009	0.7
81.03420	30.4
83.01342	0.7
85.02906	74.1
87.00831	30.7
87.01283	0.5
87.01388	1.0
88.92137	0.7
91.03945	1.5
91.05460	1.1
97.02896	31.2
98.23462	1.1
99.04460	13.0
103.05469	7.4
105.01873	29.2
105.07014	2.6
107.04953	7.5
108.04473	7.7
109.02883	30.4
115.03915	0.8
117.01849	2.7
126.05524	3.8
127.03916	53.3
128.04225	0.8
129.01822	3.4
131.04942	1.6
135.08047	5.7
139.03908	3.9
144.06592	0.8
145.04964	26.8
147.02888	3.1
147.04466	0.7
154.06245	29.9
155.06557	1.1
159.02898	18.5
163.06197	1.4
163.07556	24.5
167.07008	1.7
171.69743	0.7
176.07024	1.1
180.07762	1.2
189.03880	1.3
193.08519	0.8
195.10165	100.0
196.10472	3.6
207.10120	1.3
213.03990	2.9
221.08102	1.0
230.06596	3.3
231.05019	12.4
232.70877	0.7
248.07660	7.0
249.05882	1.9
266.08755	2.1
285.11334	1.0
288.88031	0.7
303.12170	1.8
361.82584	0.8
460.26840	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85735	0.3
53.03943	0.3
54.29151	0.3
55.05482	0.4
56.78021	0.3
57.03435	2.8
59.04996	0.8
64.87584	0.3
67.38427	0.3
69.03420	0.5
69.25415	1.4
69.25836	0.6
71.04994	19.4
73.02901	0.8
75.04485	1.0
78.56417	0.3
81.07039	0.3
83.04987	1.5
83.47598	0.3
84.04543	0.5
85.02909	22.0
91.05484	5.4
97.02901	0.9
98.23477	0.5
99.04482	0.6
103.02158	0.3
103.03964	0.4
109.10133	0.4
111.04463	0.7
115.05460	9.8
117.07020	100.0
118.07327	2.1
127.03940	0.4
129.05490	8.8
129.07011	0.8
131.08569	10.3
132.08980	0.4
133.04955	0.6
133.06479	0.9
145.04930	0.5
146.08186	0.8
147.04436	1.1
147.06511	4.0
159.08086	0.8
159.11720	1.2
164.09206	2.2
171.07953	0.5
177.09126	0.8
177.12720	1.8
201.09012	0.3
214.75165	0.4
415.82883	0.3
460.15939	0.4
460.22006	4.5
461.30786	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	40.6
62.19147	4.1
64.67055	3.6
67.05493	6.7
69.07076	6.2
69.95232	7.4
69.95585	3.2
79.05465	3.5
81.07071	7.7
83.28189	3.6
86.99786	3.2
91.05486	4.1
91.53489	2.9
95.08614	8.6
97.74536	3.5
98.97588	53.4
107.08629	3.9
109.10169	3.6
116.98621	31.6
119.08590	4.4
134.99658	21.2
137.02725	3.5
155.03824	4.4
158.01305	3.8
159.00954	3.8
181.01741	4.3
199.02818	4.4
241.03844	10.4
276.05878	3.8
277.07581	5.2
281.10757	5.7
333.20917	3.7
337.13214	5.5
341.17972	7.8
359.18823	23.1
377.20087	24.7
395.21024	51.6
400.21701	5.0
401.19983	25.2
418.22867	4.9
419.21094	100.0
420.21335	6.0
437.15903	6.8
437.22128	40.8
440.90933	3.5
460.23621	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	460.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.0
56.96294	3.6
56.96566	60.6
62.65276	3.1
67.05487	8.3
69.07064	8.6
69.75803	5.3
69.76186	6.1
79.05508	3.7
81.07033	7.9
83.08635	3.1
95.08601	5.7
98.97587	58.7
102.85129	3.1
109.10159	5.2
116.98624	44.6
119.08563	9.5
121.10121	4.0
126.20378	3.0
127.11168	2.8
131.76060	2.7
134.99680	20.3
135.94077	2.6
137.02737	7.0
140.72438	2.7
155.03758	3.2
159.00891	5.9
165.09064	3.9
166.71362	2.7
181.01736	4.7
193.07361	2.9
199.02771	11.6
205.05293	3.4
217.03764	6.7
222.60364	3.1
223.02933	3.1
229.14291	5.2
241.03969	13.3
247.10176	3.0
253.03723	3.8
259.04926	5.1
271.08551	8.3
271.15430	3.7
295.08560	7.4
297.18988	3.6
341.17700	18.2
357.21021	6.9
359.18900	76.3
360.19409	4.3
377.20026	43.4
378.20340	5.4
382.20285	12.7
395.20972	7.1
400.21405	4.7
401.19968	46.1
402.20038	5.3
407.23907	3.0
419.21027	100.0
420.21497	6.1
437.22150	36.6
442.22742	7.9
460.23438	16.4
461.24207	3.7
473.88812	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	460.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	10.7
61.85537	0.9
62.91022	0.9
69.26292	4.1
70.06605	1.3
81.25814	0.9
86.09692	1.9
87.04459	10.9
89.06037	9.3
95.76769	0.9
99.04479	1.4
103.03947	100.0
103.07572	8.6
113.06020	1.6
117.03418	1.2
119.07053	1.5
121.08672	1.4
131.07063	3.7
133.08591	5.0
145.02821	2.3
147.04468	2.9
147.06529	11.1
147.10191	2.1
163.09648	2.9
175.09689	1.2
177.05432	2.7
177.11241	1.6
191.09164	7.0
191.12865	1.2
205.04832	1.5
207.12341	3.9
235.11752	6.5
251.14890	1.2
258.23062	0.9
264.43484	0.9
266.75711	1.0
279.14374	1.8
286.51624	1.0
323.16956	1.4
339.20349	1.3
367.19803	2.3
397.20514	4.6
443.21246	3.7
450.05988	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2695
Annotation	Militarinone A
Peak:m/z	Relative Intensity
55.05501	3.3
67.05511	4.7
69.07057	2.6
69.32275	5.8
79.05492	5.0
80.05016	8.0
81.07056	3.5
83.05006	1.6
83.73248	1.1
88.36111	1.1
91.05479	4.1
93.07029	3.0
94.06564	17.3
95.07342	19.0
95.08598	2.8
96.08124	2.2
98.23418	2.6
105.07034	2.4
106.06571	4.2
107.04966	3.5
107.08572	2.7
108.04482	5.6
109.10143	1.8
119.08605	3.1
122.06027	59.3
123.06819	35.8
124.07586	4.4
133.05223	1.6
134.06009	7.7
135.06796	5.2
136.07596	2.9
145.08887	3.3
146.06026	2.6
148.07530	2.3
150.05505	82.9
151.06284	94.7
152.07066	11.9
160.11197	8.2
161.09677	1.2
170.09676	1.5
172.07571	2.4
173.08392	3.7
178.12289	2.3
185.13333	1.2
186.09152	4.0
188.10690	16.5
189.11105	1.2
198.12801	1.5
212.10736	1.5
242.15367	1.9
244.13275	1.6
254.15312	1.8
272.16321	2.4
282.14978	1.9
378.24277	2.6
396.25439	3.9
406.23730	5.7
414.26282	4.7
419.22586	1.3
424.24847	15.1
442.25900	74.5
443.26245	5.6
460.26938	100.0
461.27408	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	460.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.7
55.05513	2.9
59.61277	1.3
66.90795	1.5
66.98701	1.4
67.05510	6.5
69.07079	5.5
69.47852	3.3
69.48255	5.3
77.57624	1.3
79.05506	8.6
80.05025	7.5
81.03407	1.6
81.07047	8.7
83.08634	1.7
85.02895	1.6
91.05499	6.4
93.07058	5.1
94.06569	13.7
95.04990	4.3
95.07339	19.6
95.07908	2.0
95.08639	5.8
97.06580	1.8
98.23404	3.0
103.05506	1.7
105.07047	5.0
106.06567	3.0
107.04980	5.9
107.08616	4.7
108.04472	5.3
109.06510	1.7
109.10178	3.6
117.07063	1.5
119.08646	2.7
121.06509	3.3
121.10162	2.1
122.06024	57.5
123.06810	37.1
124.07623	2.4
125.06034	4.8
129.07004	3.1
131.08615	5.4
132.08069	2.0
133.06554	2.9
134.06049	6.6
135.08035	2.1
137.05972	3.1
141.06995	1.7
144.05690	2.0
145.06458	1.5
147.11636	1.9
149.09715	2.8
150.04256	2.5
150.04456	1.5
150.05499	94.1
151.06284	100.0
152.07062	13.1
154.73802	1.6
156.05739	6.6
157.06639	2.1
159.08072	5.1
161.06001	1.5
164.07025	1.9
165.09155	4.5
167.07053	15.0
173.06047	2.4
175.06177	1.9
175.07584	1.9
175.14760	1.8
181.04964	2.2
187.07585	4.9
188.10786	2.6
202.06380	3.0
202.08574	1.7
203.14417	1.9
210.14833	1.8
217.08617	11.2
218.07285	1.6
219.07997	1.9
219.10161	2.1
231.08153	1.6
242.96225	1.6
247.09708	3.6
263.16351	6.9
281.17526	4.1
306.17014	3.0
330.16699	1.8
371.14890	4.6
383.15045	3.4
396.25400	2.0
406.23914	1.9
413.83191	1.4
414.26315	3.3
424.24750	7.2
442.25894	49.4
443.26578	3.9
460.26956	83.3
461.27133	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	460.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15910	1.2
53.03940	2.1
53.04602	1.1
55.05514	7.0
56.05043	4.6
57.07070	2.7
58.02957	2.3
60.04503	1.5
61.02946	1.3
61.76057	1.4
67.05505	13.4
68.05053	2.0
69.03429	6.3
69.07088	8.8
69.71203	2.4
69.71568	2.7
71.08638	1.7
72.04507	1.2
73.02901	2.3
79.05495	8.9
79.95370	1.1
80.05022	3.7
81.03430	1.8
81.07057	14.3
82.06583	6.5
83.08621	4.4
85.02905	10.0
91.05479	5.0
93.07050	7.5
94.06575	8.4
95.08611	11.5
96.08131	4.2
97.02910	2.7
97.10152	2.0
98.06096	1.1
98.97585	1.6
105.07052	3.7
107.08607	4.9
108.08138	1.5
109.10169	2.7
116.98586	1.1
119.08589	2.8
119.27110	1.2
121.10165	4.3
127.03915	2.1
133.10161	2.1
135.11707	2.6
144.93929	1.5
154.12296	1.4
197.94778	1.2
250.25406	7.1
254.98616	1.3
262.25296	32.4
264.26758	3.1
280.26349	100.0
281.26715	4.8
298.27444	4.6
424.30566	1.9
437.22092	4.2
442.31738	11.7
460.26712	2.4
460.32755	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	460.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49714	3.4
54.15121	3.2
55.05521	12.1
57.07071	7.5
58.06591	5.1
60.08162	5.1
67.05492	22.2
69.07066	26.6
74.75679	3.1
79.05491	14.5
81.07056	48.5
83.08611	14.4
91.05469	16.3
93.07043	29.0
95.08608	59.7
97.10186	6.1
105.07037	33.8
107.08586	32.5
109.10158	49.4
111.11720	4.6
117.07012	6.0
119.08585	37.2
121.09447	3.2
121.10167	28.4
123.11703	21.2
131.08583	10.8
133.10118	31.3
134.38225	3.5
135.11716	23.8
137.13240	12.9
142.96933	3.8
145.10091	15.6
147.11703	35.8
149.13235	26.2
151.11105	3.9
159.11639	10.9
161.13261	42.5
163.14793	18.5
165.12767	19.9
173.13252	15.5
175.14845	18.5
177.16383	10.7
179.14301	81.5
187.14818	11.1
189.16333	17.0
191.14307	51.1
193.15900	7.2
201.16364	9.1
203.17953	4.0
205.15854	7.6
207.17451	29.3
215.17940	21.7
219.17583	5.6
233.19072	5.2
236.14883	19.5
247.20610	4.7
259.24182	6.0
271.24222	62.0
275.97256	3.5
289.25266	100.0
290.25497	5.3
442.35321	4.8
457.15839	3.9
460.25018	30.5
460.36404	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31882	0.1
55.05511	0.6
56.05046	0.2
57.03440	3.0
57.06784	0.2
57.07078	13.3
58.06601	26.3
59.05003	0.5
59.06936	0.3
59.07384	6.8
60.08164	8.9
66.69706	0.2
69.07072	0.6
69.74425	0.5
70.89162	0.2
71.08632	8.1
72.08984	0.1
73.02917	0.3
75.03819	0.2
75.04483	4.0
83.08614	0.4
84.08154	0.6
85.02898	1.8
85.10186	4.4
85.10699	0.2
87.04470	2.2
89.06039	0.6
97.10178	0.2
99.11752	0.2
100.95615	0.2
103.03970	0.4
105.05540	0.6
107.08559	0.2
113.13364	0.2
119.08591	0.4
124.29187	0.2
130.08684	0.3
131.07080	0.7
133.08641	0.2
144.10202	3.2
162.11235	1.2
169.38356	0.2
194.95448	0.2
206.29706	0.2
218.13942	0.5
236.14943	1.3
237.15526	0.2
308.04007	0.2
363.31097	0.5
371.97513	0.2
416.41306	0.2
438.95090	0.2
460.39957	100.0
461.40314	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	461.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
57.03424	0.3
57.78442	0.3
58.98361	0.3
61.02896	0.9
69.03429	2.9
70.05115	0.7
70.05435	0.4
73.02892	0.4
78.99427	0.3
81.03414	1.1
82.50309	0.3
85.02905	4.8
87.04476	0.5
91.03969	0.4
95.04958	0.5
97.02892	1.6
99.04429	0.4
99.78626	0.3
102.04657	0.8
103.05473	1.9
104.06229	0.5
107.04956	3.8
117.06956	0.3
118.07359	0.6
120.05717	1.2
122.06025	6.4
123.04368	0.4
127.03902	1.1
130.04135	2.2
131.04913	8.0
132.05656	0.9
134.06081	0.4
144.19409	0.4
145.04985	0.4
147.04416	0.7
147.06810	0.4
148.05180	6.4
149.05975	25.0
150.05475	0.8
150.06685	1.7
151.02771	0.3
156.54982	0.4
162.05499	13.3
162.06857	0.7
163.06242	1.5
165.06804	0.3
175.06287	6.7
176.07025	1.3
181.06465	0.8
194.07257	2.7
195.08037	1.4
196.08824	2.5
207.08028	1.1
209.06102	0.3
222.06760	2.1
222.09140	1.3
223.07442	1.4
224.08287	4.2
225.09102	9.2
227.07079	0.7
240.07808	11.0
240.09920	0.5
241.08658	4.9
242.09338	3.2
247.62790	0.4
250.08627	1.5
251.09456	0.8
252.10196	10.4
253.07527	0.3
254.08104	1.0
266.08154	0.4
267.08780	0.7
268.09668	100.0
269.10434	67.3
269.13498	0.9
270.10773	2.9
299.10248	42.4
300.10596	2.2
378.22870	0.3
461.15549	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	461.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48645	0.6
53.03941	0.6
55.01870	0.9
55.05505	1.3
57.03432	0.8
61.02913	0.8
67.05515	4.9
69.03438	4.8
69.07059	1.6
70.06586	0.6
70.92042	0.8
71.04986	5.9
74.06036	0.5
79.05468	1.0
81.03426	4.2
81.07055	4.5
83.08632	1.0
85.02903	9.0
85.06522	0.8
86.09696	0.9
87.00824	3.4
88.27517	0.6
88.78307	0.5
91.05460	1.3
93.07043	2.1
95.08605	3.5
97.02902	2.6
99.04467	1.3
102.04684	1.0
103.05448	1.8
105.01870	2.3
105.07032	0.7
107.04944	5.0
107.08590	3.0
109.02878	2.1
109.10162	13.6
111.04469	0.7
117.07046	0.7
119.04992	0.9
120.05724	0.9
121.10131	4.5
122.06027	5.3
123.11681	1.8
125.09604	0.8
127.03930	4.2
127.11173	1.5
130.04092	2.5
131.04910	7.2
133.06432	0.8
133.10069	0.6
135.04370	0.6
135.11668	1.5
137.13235	1.2
145.04982	1.9
147.04463	3.4
148.05243	6.8
149.05983	22.4
150.05508	0.8
150.06660	1.1
153.12703	1.1
159.02882	1.9
162.05513	11.0
163.03931	4.3
163.06253	1.0
175.06320	5.6
176.07083	1.3
177.05508	0.7
177.16371	6.6
179.08412	0.7
181.06398	0.7
194.07253	1.9
195.07979	1.1
195.17445	16.2
196.08850	2.5
207.08131	0.7
213.18491	18.6
213.20544	1.0
222.06708	2.4
222.09122	1.6
223.07530	1.7
224.08290	4.6
225.09100	9.5
227.06984	0.9
233.07498	0.6
240.07825	12.7
241.08604	5.2
242.09392	4.3
250.08679	1.0
251.09464	1.1
252.07811	1.0
252.10202	11.8
253.10559	0.7
268.09686	100.0
269.10452	63.4
269.13522	0.7
270.10812	3.1
299.10275	49.2
300.10559	2.1
461.15170	1.2
461.19687	3.2
461.30920	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	461.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
59.44809	0.3
59.83785	0.3
65.42441	0.4
67.05524	0.6
69.90897	1.4
73.02921	0.5
81.07060	0.7
85.02937	0.7
89.16682	0.3
95.08595	0.6
98.22535	0.4
100.11258	1.1
105.07015	0.4
107.04982	0.6
109.10167	0.8
111.04456	0.7
120.08911	0.3
121.10295	0.4
133.83745	0.4
135.11639	0.5
155.03194	0.7
163.05324	0.4
173.04285	0.6
182.15407	0.4
185.04294	0.4
210.14798	0.8
211.16965	0.5
229.06911	2.7
299.09604	0.5
317.08447	33.0
318.08823	0.6
373.82715	0.4
461.19949	100.0
462.20255	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	461.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01287	0.4
50.47185	0.4
55.05514	0.6
67.05502	0.5
69.03434	0.7
69.07058	0.5
69.63523	1.5
73.02924	0.7
73.04694	0.4
79.05475	0.5
79.30946	0.4
80.76334	0.4
81.03422	0.4
81.07057	0.8
85.02898	0.7
93.07051	1.0
95.08609	0.8
100.11304	0.4
105.07076	0.5
109.02937	0.5
109.10161	1.1
112.43860	0.4
125.37000	0.4
133.10136	1.1
135.11722	0.6
185.04179	0.6
191.07224	0.5
211.16957	1.0
212.17305	0.8
229.06909	1.8
244.81444	0.4
289.76721	0.5
308.73242	0.4
308.77557	0.4
317.08438	27.6
375.17001	0.5
376.63223	0.5
461.19968	100.0
462.20380	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	461.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.23272	0.4
67.01620	0.7
67.05506	0.6
69.81537	1.0
77.92819	0.4
79.05479	0.5
80.76880	0.4
81.07053	0.8
84.04504	1.3
85.02928	0.7
93.07037	0.4
95.08612	0.7
102.05495	0.6
103.48189	0.4
105.07018	0.6
109.47443	0.4
109.75593	0.4
121.10159	0.5
123.11667	0.5
130.05019	1.2
135.11729	0.8
147.11752	0.4
148.06041	1.6
165.09142	0.7
176.07190	0.4
177.07845	6.6
185.04216	0.7
202.63731	0.5
213.14622	9.1
241.14087	6.4
246.14941	3.3
255.15810	0.7
299.19717	0.5
320.18829	0.5
357.18701	2.4
375.19919	22.1
376.20300	1.1
417.20950	45.6
418.21252	2.1
461.19952	100.0
462.20248	5.3
462.28452	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	461.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.23272	0.4
67.01620	0.7
67.05506	0.6
69.81537	1.0
77.92819	0.4
79.05479	0.5
80.76880	0.4
81.07053	0.8
84.04504	1.3
85.02928	0.7
93.07037	0.4
95.08612	0.7
102.05495	0.6
103.48189	0.4
105.07018	0.6
109.47443	0.4
109.75593	0.4
121.10159	0.5
123.11667	0.5
130.05019	1.2
135.11729	0.8
147.11752	0.4
148.06041	1.6
165.09142	0.7
176.07190	0.4
177.07845	6.6
185.04216	0.7
202.63731	0.5
213.14622	9.1
241.14087	6.4
246.14941	3.3
255.15810	0.7
299.19717	0.5
320.18829	0.5
357.18701	2.4
375.19919	22.1
376.20300	1.1
417.20950	45.6
418.21252	2.1
461.19952	100.0
462.20248	5.3
462.28452	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	461.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	8.2
56.92149	2.3
56.96551	2.2
57.07077	4.7
67.05495	9.6
69.07065	14.7
71.08636	2.9
71.77024	2.4
75.21246	1.9
79.05476	8.1
81.07061	15.3
83.08614	9.0
93.07037	8.5
95.08591	15.4
97.10161	4.4
98.98457	6.3
105.07053	2.7
107.08607	4.9
109.10169	8.5
118.92113	2.7
119.08539	3.0
121.10152	4.4
123.11713	3.3
125.05977	2.4
135.08038	2.1
136.93089	8.9
137.09569	2.9
139.79785	2.2
140.99481	14.7
147.11661	2.9
150.94545	3.8
150.95645	23.0
154.94145	10.5
159.02971	2.2
159.04170	63.6
161.09598	3.1
165.09122	46.4
168.95741	12.2
172.95245	9.3
177.09135	4.2
186.96796	44.8
187.01575	2.0
197.02104	22.3
204.97896	23.2
205.12300	4.4
209.98360	7.6
210.96838	2.6
224.98328	7.5
228.97867	3.0
242.99442	8.3
247.24149	2.5
265.25171	2.9
325.21332	25.8
364.31393	2.8
366.24081	4.2
405.17096	5.9
447.18243	13.7
461.20175	24.5
461.26532	100.0
462.26917	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	461.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.5
54.52996	0.5
55.01877	0.8
70.06599	1.2
72.08155	6.7
73.02921	1.5
73.04760	1.1
74.06155	0.5
78.65813	0.5
79.05489	1.1
81.12496	0.6
84.04514	1.9
85.02900	1.1
86.09708	5.9
87.10014	0.6
89.03911	7.9
91.05486	1.9
98.06103	0.6
98.23502	1.3
102.05558	0.7
103.05450	1.3
104.35285	0.7
105.07034	12.6
107.04980	1.0
115.08680	1.5
117.03377	24.9
119.04939	5.7
121.06477	0.6
123.65485	0.5
128.10704	0.7
133.06494	54.3
134.03624	1.0
134.36299	0.5
135.04442	1.8
137.05983	2.9
144.06516	1.4
145.02849	77.2
146.03229	1.7
147.04405	7.7
148.04736	2.1
149.05975	8.3
151.07515	1.5
161.05966	1.1
162.03131	0.8
162.06529	0.6
162.07640	1.9
163.03897	1.2
164.03381	0.8
173.12883	2.3
175.03920	3.3
177.05469	100.0
178.05814	3.0
179.05533	0.9
179.07031	10.9
186.05467	0.9
201.05458	2.4
201.12344	1.7
208.15425	0.5
215.16809	0.6
240.50372	0.5
249.07448	0.6
261.14438	1.7
263.13992	0.8
264.14697	0.6
265.15439	1.9
289.75800	0.5
300.08624	1.3
305.08136	1.4
325.10672	4.0
337.10818	3.4
355.11737	4.5
359.02673	1.0
373.12772	7.6
413.20599	0.8
443.21512	0.9
444.19901	1.5
461.22824	8.5
462.22922	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57637	0.5
63.02417	0.6
69.14279	1.4
69.14689	2.0
70.06594	1.3
72.08162	3.7
73.04788	0.9
84.08150	0.8
86.09705	3.4
89.03912	8.2
91.05475	1.9
95.05104	0.5
103.05488	0.9
106.04168	1.1
115.08696	1.1
117.03381	31.7
118.03705	0.6
119.04915	3.1
129.10359	0.5
133.02846	1.5
134.03650	1.9
135.04413	2.4
137.05986	2.8
145.02849	72.9
146.03217	1.7
147.04401	3.9
149.05980	10.4
151.03799	0.7
151.07535	0.8
151.93427	0.6
161.05904	1.0
162.06784	1.4
162.74374	0.5
163.03925	1.0
167.05513	0.7
173.70898	0.6
175.03911	2.0
177.05470	100.0
178.05803	2.0
179.07048	5.7
201.05490	2.2
225.48930	0.7
231.06459	0.7
248.12859	0.9
263.13794	1.5
264.14557	1.1
265.15399	3.9
280.51682	0.6
305.07925	1.0
325.10721	4.0
337.10660	2.7
341.10141	1.6
355.11798	4.5
359.02704	1.1
373.12891	3.7
374.13153	0.7
413.20486	3.3
437.66434	0.6
443.21716	0.8
444.20425	1.3
461.13425	0.7
461.23010	8.4
462.23276	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2666
Annotation	Vielanin B
Peak:m/z	Relative Intensity
54.74776	0.6
55.05510	0.6
55.58503	0.5
56.96539	0.8
58.63842	0.5
67.05502	0.9
69.07073	2.1
69.33696	2.4
69.34116	1.2
79.05485	1.1
81.07060	2.1
83.29561	0.6
91.05524	0.7
93.07067	0.9
95.08614	0.9
98.23560	1.1
105.07019	0.8
109.10142	0.6
125.05959	0.8
136.93143	1.3
140.99458	1.2
150.95639	3.2
159.04179	60.6
160.04597	0.9
162.16298	0.6
165.09106	3.8
168.95703	3.4
172.95261	1.0
186.96788	5.3
197.02095	1.3
200.06853	1.4
204.97894	2.4
209.98436	0.6
224.98418	1.4
242.99492	1.3
325.21387	32.7
326.21686	1.2
366.24118	2.6
443.18591	0.9
447.18143	1.6
461.20834	4.1
461.26611	100.0
462.26910	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	461.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.9
53.03954	1.0
55.05516	10.5
57.03438	9.8
57.07073	1.9
65.03938	1.9
67.05508	39.7
69.03436	0.8
69.07067	9.2
71.04991	1.2
71.46936	0.8
79.05499	21.5
81.07060	40.5
83.04971	1.1
83.08623	3.5
85.06530	1.1
91.05477	10.2
92.80946	0.8
93.07049	24.4
95.04977	2.3
95.08607	31.0
97.06563	1.3
97.10178	1.6
98.98470	47.9
105.04530	0.9
105.07045	8.2
107.08593	14.1
109.10163	14.4
114.96761	0.7
116.99512	1.2
117.07024	2.4
119.08583	6.1
120.94602	0.7
121.10144	9.3
123.08102	0.8
123.11708	5.2
123.27864	1.0
127.01575	15.4
131.08583	4.0
133.10124	5.1
135.11703	8.0
137.13249	1.8
140.01086	0.8
140.99419	0.9
145.10121	4.4
147.11699	4.6
149.09586	1.0
149.13278	3.5
155.01041	9.0
159.11684	2.7
160.12094	1.2
161.13290	3.4
163.14867	2.7
165.09129	4.0
172.77161	0.8
173.13266	2.9
175.14818	1.0
179.14360	1.7
183.04193	14.5
187.14824	1.2
201.05244	7.1
243.21100	3.2
261.22168	7.0
265.68768	0.9
290.25555	1.3
317.24857	2.7
335.25806	100.0
336.26071	4.9
339.19363	2.9
432.62567	0.8
461.23047	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64837	5.1
69.95071	5.6
72.08156	22.3
73.04752	13.7
84.04508	6.6
85.33326	6.3
86.09722	26.5
89.03902	6.2
89.10784	12.1
91.05807	24.8
117.03391	5.3
119.04999	13.8
136.06204	7.1
136.66823	5.3
145.02921	11.4
147.04411	100.0
165.53955	6.1
167.05627	16.3
177.05489	24.6
201.12411	7.1
216.10190	5.3
233.18550	6.9
235.14388	52.4
245.38632	5.8
247.12970	9.7
265.14365	15.9
359.02850	25.9
429.08975	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	3.9
66.38883	3.4
67.05516	9.8
69.07068	6.0
70.00186	8.1
71.08659	3.8
77.28316	3.4
77.48761	3.4
79.05476	3.6
81.07069	12.7
83.08620	4.2
89.46161	3.6
91.05469	3.6
92.97903	3.4
95.08630	7.4
109.10176	8.0
119.08619	6.0
121.10133	3.6
126.92964	3.1
133.10260	3.3
137.09610	9.6
149.09590	4.8
163.11185	4.1
164.08548	3.0
165.09111	100.0
177.09198	5.7
191.10654	5.2
203.10722	4.5
205.12288	10.5
243.35722	2.9
247.87360	3.1
444.36237	3.5
461.19473	10.9
462.20270	6.5
462.37424	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	461.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	21.6
57.07055	4.8
57.23232	4.7
58.56822	4.2
59.04994	4.7
66.05444	3.9
67.05505	43.6
69.07074	29.8
71.04987	35.4
71.08651	5.5
71.46986	5.7
73.92125	5.3
79.05486	27.6
81.07049	81.8
83.08608	11.3
91.05467	13.3
93.07051	52.6
95.04954	5.8
95.08607	92.7
97.10141	7.5
99.08055	6.0
105.07027	30.5
107.08594	76.6
109.10151	100.0
111.58110	4.5
113.09618	4.3
117.17217	3.9
119.08586	40.0
121.10141	49.1
123.11699	33.4
125.09631	5.1
127.11198	44.9
131.08557	5.9
133.10138	21.0
135.11682	54.0
137.13219	12.1
140.99478	11.8
145.10117	11.2
147.11708	23.8
149.13234	30.4
150.95518	9.9
151.07462	6.2
153.12708	26.5
157.76688	4.5
159.11707	9.6
161.13206	23.0
163.14796	24.1
165.09108	13.2
173.13226	11.0
175.14847	9.6
177.16353	17.2
187.14815	9.9
189.16344	12.5
191.17947	9.8
195.17390	7.7
197.02042	10.3
201.16507	6.1
203.17992	7.6
215.17891	7.8
217.19548	12.9
221.19025	4.5
229.19438	7.7
231.21056	9.4
253.64276	4.7
271.24246	5.3
300.72412	4.2
303.26764	5.6
345.31351	6.7
357.31628	10.2
364.31110	6.7
383.48737	4.0
425.37686	18.9
443.38797	10.4
461.20410	4.4
461.28992	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62033	0.3
55.01873	0.6
57.03428	1.0
61.02929	0.5
69.03427	1.6
69.95847	0.3
69.96156	0.7
70.21273	0.3
73.02924	1.9
73.04753	1.7
77.03951	0.5
79.05556	0.3
79.65733	0.4
81.03455	0.4
84.08158	0.4
84.42998	0.3
85.02907	5.3
86.06072	0.5
89.03936	0.5
89.27715	0.3
91.05801	1.5
94.06565	1.1
95.04976	1.6
97.02910	1.9
98.23376	0.5
103.41244	0.3
105.04524	0.4
107.04956	77.9
108.04465	1.3
108.05287	1.5
109.02853	0.5
115.03941	0.5
121.06493	2.2
122.06046	4.4
127.03931	0.8
135.04425	1.2
138.09152	0.8
145.04997	0.9
150.05508	1.0
163.03912	2.9
167.05565	1.0
168.06564	100.0
169.06902	2.3
189.23280	0.4
219.01802	0.5
223.04164	0.4
225.04172	0.5
268.09702	3.5
281.84598	0.4
296.05521	0.4
300.12366	0.8
301.01080	0.4
359.02847	1.9
364.84055	0.4
429.08704	0.9
462.17511	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.4
57.03429	2.1
58.12536	0.6
70.92911	0.7
71.04993	16.6
72.28314	0.6
73.04746	3.4
75.04480	2.1
75.08077	0.5
81.03427	0.9
83.04987	3.0
84.43729	0.6
85.02908	22.0
86.73164	0.6
91.05801	6.4
95.04958	0.8
97.02895	1.1
100.07594	0.6
107.04948	0.6
111.04430	1.7
129.05481	9.8
137.05980	100.0
138.06329	2.5
145.02760	0.7
145.05002	0.7
147.04436	1.1
147.06528	3.9
149.04517	1.0
149.05962	0.7
164.07156	1.4
167.05560	3.5
167.06934	0.8
175.07639	0.8
177.05490	2.2
177.06985	1.4
192.06558	0.9
205.06494	2.7
205.08670	0.8
222.06781	1.0
223.07555	2.1
225.04326	1.7
233.05846	1.2
237.09195	1.0
239.07146	0.7
247.13269	1.3
250.06288	2.6
250.08643	1.2
251.07013	3.9
251.09325	0.6
265.08566	2.2
265.14279	3.7
278.05725	1.6
278.08237	2.3
279.06430	1.6
283.09680	1.9
293.08109	6.6
295.08408	1.1
299.08551	0.9
299.11401	2.1
300.12308	1.0
310.10568	3.8
311.09067	7.7
312.09225	0.7
328.11746	11.8
329.11816	0.7
342.99747	0.8
359.02866	6.1
360.02979	0.9
429.08850	2.0
445.12552	1.1
462.13379	3.0
463.15210	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01866	1.1
57.00711	0.2
57.03431	0.5
61.02907	0.3
68.27872	0.2
69.03416	0.8
69.51422	0.9
69.51793	0.3
70.06586	0.3
71.01369	0.2
72.08152	0.4
73.02537	0.4
73.02915	3.9
73.04751	0.9
74.06078	0.3
74.20969	0.2
78.66969	0.2
79.05486	3.0
80.23716	0.2
81.03404	0.3
85.02908	1.4
86.09705	0.6
87.04456	0.3
89.03918	0.6
91.05798	0.5
95.04967	1.0
97.02886	0.9
98.23492	0.2
103.05469	2.3
105.07030	25.4
106.07344	0.3
107.04929	1.1
115.03932	0.5
115.05458	0.9
115.08716	0.2
117.03395	1.1
117.05907	0.3
118.03722	0.5
127.03969	0.4
131.04895	0.4
133.06488	100.0
134.06822	1.9
135.08078	0.3
141.91995	0.2
145.02863	3.4
145.04971	0.5
146.03157	1.6
147.04433	0.7
149.05971	0.5
150.07602	0.5
164.03423	0.7
167.05611	0.5
177.05455	3.3
178.05833	2.0
179.07005	0.6
181.46043	0.2
225.04414	0.2
259.08112	0.4
266.69055	0.2
295.10294	0.4
300.08609	0.8
301.06567	0.3
326.11166	0.3
330.13785	0.4
359.02786	0.8
374.13031	0.4
408.92130	0.2
429.09232	0.3
462.23212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.2
55.05497	1.6
57.03423	1.6
61.02900	1.2
65.03912	1.2
65.24442	0.9
67.05499	3.8
69.03422	8.0
69.17355	5.8
71.04977	1.2
79.05502	3.0
81.03408	1.4
81.07050	3.7
83.04972	2.4
85.02904	11.0
91.05430	4.1
93.07060	5.8
95.04953	6.0
95.08601	2.6
97.02879	3.4
97.06517	1.8
99.04440	1.6
105.07037	8.9
105.90953	1.0
107.08595	4.1
109.06503	3.8
111.04439	4.7
113.05991	3.0
117.07055	1.5
119.08585	18.2
121.02871	2.4
121.06489	4.0
121.10154	5.2
123.08064	4.0
127.03898	2.3
128.06172	1.2
129.07001	2.2
131.08574	8.6
133.06488	2.7
133.10121	4.4
135.08038	8.5
137.05954	3.9
137.09644	1.7
139.03891	2.3
139.07547	1.2
141.06990	1.2
142.07823	1.1
143.08556	5.6
145.04964	1.9
145.06506	1.9
145.10149	5.4
147.04382	1.2
147.08052	7.5
147.11655	2.3
149.02373	0.9
149.05972	1.7
149.09610	12.6
151.03893	1.3
151.07570	2.3
153.06960	1.1
155.08569	1.5
156.09319	1.9
157.10132	4.1
158.07278	2.3
159.08092	5.2
159.11694	6.0
161.09619	8.3
165.01857	2.6
165.09123	3.5
167.05591	1.0
167.10672	3.5
171.07964	1.9
171.11658	3.2
172.08810	2.5
173.09660	2.6
173.13228	5.1
175.07533	9.5
175.11182	5.1
176.07890	1.1
181.10153	2.7
183.02989	1.0
183.11635	1.9
187.11192	8.1
189.09105	6.2
189.12726	1.6
193.08568	3.4
196.08833	2.0
199.11179	18.5
200.11328	1.1
201.12781	7.3
203.10591	4.6
205.12311	1.4
206.09253	1.0
207.10214	5.5
211.11201	6.1
217.04997	1.8
217.12256	16.7
218.12599	1.2
219.13780	3.0
229.12265	9.4
235.13290	3.8
246.14848	1.2
247.13290	62.2
248.13548	2.9
265.14337	100.0
266.14648	3.2
267.67978	1.1
270.05209	0.9
272.64120	0.8
273.03873	2.1
283.15402	3.9
296.06830	2.6
298.04782	6.0
300.06409	1.7
301.03424	5.0
301.06747	1.9
310.04733	1.8
310.08246	1.8
311.08905	1.2
313.07019	33.9
313.29041	0.9
314.07947	0.9
324.06274	3.1
325.07089	1.7
327.08401	1.3
328.05807	4.3
338.07803	1.9
339.08514	4.6
343.08118	25.2
348.05856	1.2
353.10269	4.7
355.70294	0.9
359.03061	1.2
367.03848	1.3
367.08142	15.5
367.12460	1.8
379.08115	3.6
391.08252	2.1
397.09174	9.1
409.09232	7.6
416.66629	0.9
427.05121	1.1
427.10327	8.4
445.11255	5.9
463.12338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05503	2.0
64.32346	0.7
65.53407	0.7
66.10764	0.8
66.61366	0.7
67.05510	3.6
69.03421	6.4
69.80077	1.6
69.80426	2.2
71.04995	2.1
73.04735	1.0
79.05493	2.7
81.07054	2.3
83.04972	2.0
85.02909	8.1
91.05434	1.9
93.07048	3.8
95.04978	7.2
95.08617	2.5
97.02889	2.0
97.06560	1.4
99.04450	1.4
105.07029	7.4
107.04940	1.0
107.08599	2.8
108.77798	0.8
109.02913	0.9
109.06528	3.9
109.10147	1.2
111.04452	3.2
111.08112	1.1
113.06009	2.2
115.05499	0.9
117.07036	2.2
119.08582	8.8
121.02879	2.9
121.06535	4.7
121.10143	2.5
123.08096	4.7
129.05495	2.0
129.07030	1.7
131.08557	5.2
133.06508	2.5
133.10152	2.9
135.08058	10.3
137.05975	1.4
137.09631	1.5
139.07550	1.4
141.07010	0.8
143.08566	2.5
145.06479	1.9
145.10143	5.4
147.08049	5.4
147.11739	2.1
149.09641	2.0
151.07489	1.5
155.08623	1.0
156.09387	0.9
157.10127	3.4
158.07294	3.1
159.08099	6.1
159.11697	5.5
161.09659	6.4
165.09108	4.6
169.10164	1.3
171.11702	1.3
172.08864	2.2
173.09633	3.5
173.13293	3.4
175.06091	1.3
175.07561	11.0
175.11147	5.2
183.11684	2.1
185.09595	1.3
186.10350	1.4
187.11185	7.4
189.09143	2.0
189.12801	2.4
193.08553	2.4
196.08879	1.8
199.11133	5.9
201.12747	5.6
203.10680	7.4
205.12325	0.9
211.11249	4.3
217.12195	4.0
219.13783	2.5
229.12219	4.7
235.13318	2.3
247.13324	23.9
259.08978	0.7
265.14365	100.0
266.12183	0.9
266.14603	4.0
439.67654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05492	1.7
59.05012	1.2
61.02925	1.2
62.37775	1.1
63.52251	1.2
65.03931	1.6
67.05503	3.6
69.03430	9.2
69.32864	5.4
71.04993	3.0
73.04750	2.4
79.05502	4.0
81.03394	1.6
81.07058	3.1
83.04974	2.8
85.02908	7.2
87.04494	1.3
91.05482	5.1
91.05881	2.0
93.03445	1.1
93.07039	6.9
95.04983	8.3
95.08619	3.5
97.02905	2.9
97.06503	2.7
98.23472	1.5
103.03960	5.6
105.07021	9.2
107.08582	6.1
109.06490	5.8
111.04443	8.8
111.08103	1.9
113.06010	2.2
117.07024	2.5
119.08586	20.9
121.02846	3.1
121.06506	6.3
121.10137	5.4
123.08079	4.4
127.03872	1.5
129.07016	1.8
131.08582	12.2
133.06488	3.0
133.10097	4.3
135.08058	11.5
137.09633	2.2
141.07010	1.4
142.07809	2.1
143.08537	5.0
145.06480	1.8
145.10071	6.7
147.08064	7.0
147.11673	2.0
149.05981	2.1
149.09608	15.9
156.09402	3.6
157.10121	5.0
158.07285	2.5
158.10861	1.2
159.08055	7.4
159.11688	7.8
161.05881	1.4
161.09608	9.3
165.09137	4.5
166.07791	2.2
167.05559	1.8
167.10681	3.0
169.10080	1.2
171.07996	2.7
171.11723	4.2
172.08896	3.5
173.09648	2.5
173.13228	5.9
174.06573	1.2
175.07523	10.3
175.11197	4.4
181.10164	2.1
183.11710	2.6
185.13136	1.2
186.10458	1.7
187.11169	9.8
189.09270	5.2
189.10822	1.3
189.12802	2.4
193.08606	4.6
196.08829	2.3
199.11198	21.1
201.12723	5.9
203.10677	6.1
205.12238	1.4
207.10138	6.7
211.11172	5.1
217.12242	18.5
219.13799	4.6
225.04211	1.3
229.12212	9.0
235.13292	3.6
247.13301	60.6
248.13721	2.3
265.14349	100.0
266.14655	4.0
283.15561	2.3
322.29684	1.1
359.02798	4.7
429.08817	3.3
462.13876	2.0
462.20483	3.1
463.21704	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	462.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69783	0.5
53.03932	0.7
54.96124	0.5
55.05510	6.9
57.03434	7.4
57.07067	0.7
62.06099	0.9
65.03930	1.1
65.95805	0.5
67.05501	23.9
69.07070	5.2
69.14557	2.4
69.14971	1.0
71.04980	0.7
78.54377	0.5
79.05489	17.3
79.05949	1.0
81.07053	24.3
83.04986	0.9
83.08604	1.6
85.06541	0.9
91.05460	6.6
93.07043	14.3
95.04958	2.5
95.08598	18.5
97.06535	0.7
97.10164	0.8
98.23479	1.1
105.04506	0.9
105.07027	5.6
107.08582	10.6
109.06564	0.7
109.10134	5.9
111.08063	0.8
112.99989	1.1
117.07031	1.6
119.08572	4.3
121.10143	4.9
123.11750	1.1
124.01607	0.7
131.08563	2.1
133.10120	1.9
135.11723	2.9
145.10103	1.3
147.11688	1.9
149.13187	1.0
159.11702	0.6
161.13243	0.8
173.13351	0.6
216.06386	1.0
242.09546	0.6
268.20264	0.6
290.24741	1.5
311.86398	0.5
321.24219	100.0
322.24640	3.9
351.25262	2.0
426.99167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.6
55.01871	12.0
55.05514	8.3
57.03440	9.8
57.07073	5.3
61.02932	5.7
67.05505	16.7
68.99785	3.3
69.03429	41.0
69.07066	14.9
69.79839	4.7
71.05010	4.9
73.02920	5.7
79.05048	1.9
79.05500	8.5
79.90353	1.8
81.03416	27.3
81.07056	57.3
83.08627	8.5
83.57721	1.6
85.02907	100.0
85.06549	15.9
86.09735	3.6
87.00828	39.4
93.07063	6.3
95.04974	3.3
95.08612	36.4
97.02895	27.4
97.10156	11.4
99.04449	14.2
101.02385	3.0
103.04004	2.2
104.10741	2.7
105.01866	40.2
105.07024	9.4
107.08601	8.5
108.04494	3.4
109.02869	28.7
109.06532	2.9
109.10160	55.8
111.04430	2.4
111.08080	2.4
115.03942	5.4
117.01857	2.5
119.08578	8.4
121.10119	4.9
123.11708	35.3
125.09641	3.1
127.03916	59.6
129.01828	4.3
131.08592	2.5
133.10184	6.8
135.11673	5.2
137.13245	3.5
143.08578	2.5
145.04958	25.0
145.10167	3.7
147.02890	2.0
147.11728	6.9
157.10187	3.4
159.02866	18.2
159.11700	3.3
161.09671	3.1
161.13240	6.1
171.11752	2.0
171.66243	1.9
177.16335	3.0
179.10658	2.8
179.17995	15.8
185.13312	2.4
189.04037	3.6
189.16478	2.7
191.17955	5.4
197.19003	4.6
201.03860	2.6
201.16383	2.4
203.17960	2.0
209.19070	4.5
211.14868	2.6
212.96327	1.9
213.03951	2.2
219.05037	3.0
219.17336	3.2
231.04933	14.3
237.18469	2.2
246.63051	2.2
248.07494	2.3
269.18970	3.6
287.19986	4.8
305.21307	3.2
333.24298	2.8
391.21057	6.2
403.18396	2.4
409.22144	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	462.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80076	1.2
53.03954	7.0
55.01878	10.3
55.05521	11.1
57.03435	6.4
57.07081	4.0
61.02939	6.5
67.05511	21.0
68.99794	3.9
69.03436	35.4
69.07072	13.5
70.53607	1.2
71.05006	6.0
71.08659	1.4
71.46527	1.3
73.02921	6.1
79.05495	8.0
80.03165	1.2
81.03423	28.5
81.07059	52.4
83.08620	8.1
85.02911	100.0
85.06548	18.5
87.00833	34.3
87.01376	1.1
87.04484	1.2
91.03961	1.8
91.05487	4.6
92.25311	1.1
93.07040	6.9
95.04979	2.7
95.08611	34.1
97.02898	30.3
97.10173	10.7
99.04469	14.1
99.08116	1.5
101.06044	1.4
102.63170	1.3
105.01871	36.9
105.07042	7.5
107.04996	1.3
107.08592	8.9
108.04474	4.2
109.02883	28.0
109.06516	1.3
109.10165	46.8
111.04482	2.2
111.08100	1.5
111.11751	2.0
113.00006	2.6
115.03930	4.6
117.01833	3.1
117.07012	2.0
119.08595	5.5
121.06519	1.5
121.10159	5.1
123.11720	31.3
125.09641	2.6
126.05529	1.9
127.03918	62.7
127.11205	2.5
129.01860	4.6
131.08592	3.7
133.10149	5.5
135.08075	2.2
135.11710	6.3
137.13260	8.7
139.11223	2.4
143.08533	2.2
145.04967	28.6
145.10130	2.9
147.02818	1.6
147.07971	1.6
147.11684	5.7
149.09592	1.9
149.13272	2.7
151.07504	1.6
151.11140	2.0
157.10147	2.1
159.02911	15.5
159.11714	3.0
161.13286	3.4
163.11098	1.3
171.03023	1.3
171.11771	2.9
173.13269	2.5
175.14778	1.7
177.12640	1.4
177.16397	4.6
179.17966	14.2
185.13347	1.6
187.14848	1.7
189.04034	2.0
189.16385	1.8
191.14217	1.2
191.17970	4.2
193.12178	1.6
196.12679	1.3
197.19040	6.4
203.14232	1.5
203.17990	2.7
207.17433	1.6
209.18982	4.3
211.14891	3.4
213.03917	2.9
213.12685	1.3
219.04984	2.0
219.17381	1.4
221.19086	1.3
229.16092	1.3
231.04990	13.0
241.19498	2.0
249.06067	1.8
259.20590	1.4
269.19064	2.3
283.11151	1.2
287.20065	3.6
304.47650	1.2
305.21161	2.7
323.22012	1.3
333.24231	5.1
391.21393	7.0
392.22052	1.2
409.22113	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.5
55.01881	4.7
55.05513	7.2
57.03437	1.5
59.04986	0.9
64.91767	0.7
67.05157	1.3
67.05509	23.7
68.55386	0.8
69.03427	1.8
69.07068	37.6
70.07355	0.9
71.04995	1.3
79.05491	12.4
81.03416	21.9
81.07062	10.4
83.04979	3.6
83.08620	5.7
85.06509	1.9
91.05468	16.2
93.07050	11.4
93.15957	0.9
95.04960	8.2
95.08612	10.9
97.06510	4.1
97.10170	6.4
99.34241	0.8
105.07021	6.5
107.04956	32.3
107.08582	8.2
109.06514	2.5
109.10161	17.3
111.04437	0.9
111.08101	1.4
117.07021	4.1
119.04945	5.0
119.08556	7.2
121.06503	3.8
121.10152	3.5
123.04441	1.3
123.08081	2.3
125.09605	5.8
129.06989	2.5
131.08554	6.2
133.06526	3.1
133.10091	3.8
135.04411	2.5
135.08047	4.4
135.11684	1.1
135.46689	1.1
137.05981	31.2
137.09608	13.2
139.07516	1.0
141.07024	1.1
143.08565	2.9
145.06488	1.1
145.10088	4.3
147.04417	3.0
147.08052	3.4
147.11705	1.5
149.06013	1.9
149.09612	32.8
150.10049	1.1
154.08606	0.9
155.08562	1.0
155.10686	2.9
157.10139	2.5
159.07976	0.9
159.11693	4.2
161.06029	2.8
161.09657	3.4
163.11111	1.9
165.09116	1.1
167.05621	1.0
169.10156	1.0
171.11696	1.8
173.05986	2.8
173.09627	1.0
173.11742	10.9
173.13107	1.7
175.07559	2.4
175.11209	4.3
177.09123	1.3
177.12740	1.3
185.09662	1.5
187.11122	1.7
189.11249	1.6
189.12744	1.7
193.12273	1.0
199.11179	1.6
203.10718	2.4
205.12210	1.2
211.07549	0.9
217.12187	1.4
221.11716	1.9
223.13283	1.3
229.12167	4.2
235.13336	2.7
239.14246	1.1
243.13882	1.0
249.14992	1.1
255.13721	1.9
255.17485	1.3
257.15411	1.8
271.12976	0.9
272.16534	1.6
273.18509	6.7
291.19543	67.1
292.20029	3.8
309.20624	0.8
339.15768	1.3
357.16873	2.9
381.23886	0.9
396.55188	1.1
409.23660	5.8
426.26422	2.2
427.24771	14.4
428.25317	1.3
444.27252	2.0
445.25729	1.7
462.28516	100.0
463.29025	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	462.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04977	0.9
54.32008	0.8
55.01863	2.9
55.05505	6.6
66.26944	1.1
67.05162	1.4
67.05507	21.2
69.03426	2.6
69.07071	26.1
69.28288	4.3
69.28693	2.2
71.04977	2.0
79.05499	9.9
81.03414	16.7
81.07064	9.0
83.04979	2.1
83.08622	5.3
85.06557	1.4
91.05482	19.3
93.07043	8.7
95.04974	6.8
95.08599	10.6
97.06529	3.9
97.10153	5.6
98.22774	1.9
105.07053	6.4
107.04964	22.2
107.08601	7.5
109.06544	1.5
109.10157	15.7
111.08087	1.6
117.07015	4.5
119.04956	6.6
119.08569	6.9
121.06525	4.2
121.10155	4.0
123.04397	1.1
123.08112	2.3
125.09637	6.3
129.07019	1.4
131.08560	5.3
133.06505	3.1
133.10155	2.6
135.04411	3.3
135.08089	4.4
135.11636	1.1
137.04938	2.6
137.05983	39.1
137.07008	2.5
137.09636	10.2
143.08575	2.2
145.10126	5.1
147.04431	3.4
147.08064	2.6
147.11688	1.5
149.09618	21.3
154.08685	1.0
155.10666	3.3
157.10164	2.1
159.11682	3.6
161.05946	2.4
161.09634	2.9
163.11162	2.1
169.10205	1.2
171.10201	1.7
171.11604	1.3
173.05948	1.4
173.11728	5.6
175.07527	2.0
175.11185	4.1
179.10674	1.3
185.09651	1.8
187.11296	1.5
189.09277	1.0
189.11252	3.1
203.10689	2.4
205.12314	1.4
211.34966	1.0
221.11604	1.5
223.13240	1.4
229.12245	5.2
235.13261	1.7
239.14291	1.9
243.13861	3.2
247.13370	2.1
255.13889	5.4
257.15405	2.9
271.13153	1.2
272.16492	6.7
273.18536	6.9
274.18839	1.1
291.19556	42.4
292.19827	2.0
309.20572	2.2
357.16638	1.4
409.23843	5.7
426.26550	1.6
427.24817	16.0
444.27454	2.7
445.25879	1.9
462.28513	100.0
463.28787	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	462.2856
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
55.01828	0.2
55.05514	0.6
67.05500	1.2
69.03419	0.3
69.07057	0.5
69.20056	0.4
69.20462	1.1
71.10355	0.3
71.81324	0.2
79.05488	0.4
81.07047	0.7
85.02905	0.4
91.05467	0.5
93.07008	0.3
95.08610	0.5
97.10146	0.5
98.22719	0.6
102.08274	0.3
103.05511	0.4
105.07044	0.3
107.08589	0.5
109.02813	0.3
109.10184	0.5
109.72353	0.2
117.07002	0.3
122.09590	0.3
122.86424	0.2
123.04418	0.4
124.11255	2.5
131.04959	0.6
137.06003	0.7
139.12801	0.3
141.07008	0.3
145.06503	0.5
148.05212	0.9
149.05994	2.0
155.08589	0.4
160.05193	0.6
160.07611	0.9
161.05936	0.7
162.05507	3.3
162.06744	0.4
163.07565	0.6
164.07071	1.1
164.08286	0.3
173.05945	1.2
173.11560	0.2
175.07567	1.2
176.07088	3.8
176.08446	0.4
177.07858	100.0
178.08449	3.8
187.07506	0.9
190.08673	0.7
200.08310	0.3
201.09152	0.5
202.08611	0.3
204.10315	0.3
211.11128	0.3
229.12285	0.4
243.13739	0.4
246.14912	45.2
247.15205	1.7
320.18411	1.8
426.64346	0.3
444.27527	0.9
462.28531	46.9
463.18506	4.6
463.28784	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	462.2853
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
55.01865	2.7
55.05512	10.0
64.36559	1.6
67.05518	15.9
69.03429	4.2
69.07077	12.1
73.04753	4.1
79.05481	10.7
81.03475	1.9
81.07052	15.2
83.04993	2.6
83.08637	3.7
85.06541	2.2
91.05428	14.5
93.07042	14.6
95.04973	4.9
95.08614	19.5
97.06544	2.6
99.14880	2.1
103.05476	5.1
105.04515	2.0
105.07037	8.0
107.04980	6.2
107.08605	6.8
109.06495	1.8
109.10175	8.3
115.05444	3.9
117.07025	4.5
119.08572	6.2
121.06512	33.4
121.10132	4.3
123.04435	3.6
123.08075	3.4
123.11734	2.6
125.09624	2.4
128.06180	2.4
129.07028	7.7
130.05101	1.9
131.04893	4.6
131.08578	6.6
133.05011	2.2
133.06520	5.2
133.10133	3.7
135.08131	2.5
137.05994	13.5
141.07008	7.7
142.12389	1.8
143.08583	3.4
145.05344	2.0
145.06505	6.2
145.10117	4.3
147.04453	5.0
147.08075	2.7
147.11673	2.2
148.07671	2.2
149.05965	35.5
149.09547	3.1
151.07567	4.2
154.08751	2.9
155.08530	3.6
157.06438	3.0
157.10136	3.2
159.08099	7.6
161.05952	13.0
161.09695	2.7
163.07550	6.9
167.05675	2.0
167.08482	2.1
169.06503	3.5
169.10153	2.3
171.08070	6.0
173.05984	20.2
174.06718	2.7
174.86497	1.9
175.07541	26.1
177.07854	7.3
177.09209	5.6
181.10307	2.2
183.08066	3.0
185.06041	5.3
185.09604	2.7
187.07545	100.0
188.08069	3.8
189.09093	11.7
190.08698	1.9
195.08078	3.4
197.05997	1.7
197.09761	2.5
199.07558	8.6
200.08336	3.1
201.09113	9.9
203.10686	3.0
204.10197	10.0
209.09624	3.3
209.13158	2.6
211.07640	3.4
211.11194	2.2
213.05482	2.2
213.09113	8.3
215.07045	4.3
215.10721	4.5
216.17931	1.8
218.15343	2.0
222.10516	2.0
227.10658	3.7
229.12204	22.5
230.12233	1.9
233.09683	2.5
241.12262	3.9
243.13805	3.4
246.14926	6.3
249.12903	2.1
253.12187	3.5
255.13809	6.6
257.15485	5.4
267.13889	2.5
269.15408	7.5
271.13477	2.4
273.14914	4.6
279.14133	4.0
281.15512	2.4
285.15170	2.2
291.15991	5.8
291.19568	3.5
297.14835	11.5
299.16330	2.1
302.17297	2.0
314.17569	4.7
315.15881	49.2
316.16339	3.2
320.18552	10.1
339.15811	3.5
357.16937	3.5
359.02966	4.9
381.24112	2.5
391.22681	4.9
409.23749	37.4
410.24252	3.6
426.26657	3.9
427.24887	24.2
429.09308	2.9
444.27548	40.3
445.26959	3.8
462.28552	97.2
463.28922	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.5
67.05505	18.2
69.07061	6.2
71.05013	3.4
73.04733	2.9
79.05491	3.9
81.07064	24.5
84.04506	100.0
84.05009	5.6
85.02878	5.4
91.05823	5.9
93.07034	10.6
95.08625	18.9
100.11270	4.7
102.05537	48.4
105.07050	6.2
107.08578	7.3
109.10176	13.0
119.08601	4.0
121.10138	10.0
123.11732	4.7
124.11222	2.7
125.06022	2.7
130.05006	65.4
135.11696	4.0
137.05984	2.5
137.13228	3.5
148.06053	75.5
148.07228	4.5
151.20689	2.9
167.05453	2.7
177.07849	11.7
210.14899	3.4
246.14876	5.3
261.22125	9.1
279.23105	16.0
313.07239	5.4
359.02875	5.7
380.27884	6.6
385.20715	3.7
390.26398	3.7
408.27505	15.7
416.26184	2.9
426.28500	10.9
429.08902	6.7
462.20972	6.1
462.28519	13.1
463.16748	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	462.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.8
56.05036	5.4
57.07069	1.3
67.05508	19.5
69.07062	6.8
70.38761	1.6
71.04989	1.2
79.05502	9.1
81.07054	20.2
83.08636	3.3
84.04506	100.0
85.02889	2.3
85.04828	0.8
89.28207	0.8
91.05481	4.4
93.07049	9.8
95.08609	20.0
97.06525	1.7
97.10179	2.4
102.05544	48.4
105.07058	4.0
107.08600	5.6
109.06478	0.9
109.10151	9.7
117.07012	1.3
119.08580	3.6
121.06509	1.2
121.10135	5.5
123.04477	0.9
123.11682	3.5
124.11217	6.8
125.09637	0.9
130.05006	67.2
131.08577	2.7
133.10167	2.4
135.11688	3.3
137.06006	2.8
137.09645	0.8
137.13287	1.3
145.10170	1.9
147.11696	2.9
148.06050	75.4
149.06104	2.2
149.13298	1.7
149.94080	0.6
154.35342	0.7
159.11790	1.3
161.13307	1.9
162.05536	2.9
163.14856	1.6
164.07047	1.2
173.06076	1.2
173.13242	1.4
175.07635	0.7
175.14909	0.7
176.07076	3.4
177.07851	89.4
178.08435	2.9
205.59842	0.7
206.11818	1.2
223.16927	0.7
232.34496	0.7
243.21198	3.5
246.14893	40.4
247.15256	1.0
261.22125	7.6
279.23193	15.6
286.16541	1.1
297.24234	0.7
302.15930	1.1
319.65735	1.0
320.18683	2.2
362.26962	2.3
380.28033	7.9
390.26437	1.9
397.23874	0.9
408.27441	19.8
409.27805	2.1
426.28546	17.3
444.27905	1.5
462.28485	44.0
463.18494	3.5
463.28824	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	462.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10927	0.7
55.05516	6.4
56.05040	5.8
57.03428	1.3
57.07064	1.3
59.04975	0.9
59.82068	0.7
64.40911	0.7
65.03944	0.7
67.05509	22.3
67.72405	0.6
69.03446	0.8
69.07069	8.3
69.64182	1.0
69.64562	1.1
71.04988	1.6
79.05499	8.9
79.53273	0.8
81.03437	0.8
81.07066	25.5
83.04955	1.3
83.08620	3.4
84.04510	100.0
85.02917	3.9
85.04847	0.8
85.06525	1.1
91.05462	5.5
93.07047	11.1
95.04959	2.1
95.08620	17.1
97.06559	1.7
97.10188	1.3
102.05551	50.8
103.05946	0.7
104.75961	0.7
105.07038	3.8
107.08591	6.3
107.09196	0.8
109.06542	1.1
109.10167	13.0
111.11685	1.0
117.07038	1.4
119.08609	4.7
121.06471	1.8
121.10139	6.4
123.04440	0.9
123.11742	5.6
124.11233	1.5
125.09662	1.3
127.03869	0.8
127.11212	0.9
128.27831	0.7
130.05009	65.1
131.08585	3.1
133.10167	2.2
135.11708	3.7
137.06007	2.4
137.09668	0.9
137.13287	2.5
145.06541	0.9
145.10150	2.2
147.11745	2.9
148.06053	82.1
149.06166	1.2
149.09735	0.8
149.13269	2.0
159.11739	1.9
161.06012	0.9
161.13304	1.7
163.11197	0.9
163.14850	1.5
163.57144	0.8
164.07094	0.9
165.12775	0.8
173.13322	1.9
175.14900	1.0
176.07088	1.3
177.07863	15.8
177.16365	0.9
187.07603	0.7
187.14871	2.1
188.19475	0.8
190.08751	1.2
192.10262	1.1
207.00073	0.8
227.71085	0.7
229.12218	1.4
243.21054	3.8
246.14870	7.2
247.16962	1.0
253.31461	0.7
261.22125	9.6
279.23221	18.8
279.26062	1.2
286.16608	1.1
294.20728	0.9
297.24368	2.6
302.15976	1.5
320.18622	1.1
327.23395	1.0
359.02499	1.1
362.26880	1.5
380.27881	7.7
380.60172	0.9
390.26477	3.1
408.27432	21.0
409.27972	1.3
426.28571	11.9
444.27802	1.6
462.18207	0.9
462.28522	14.0
463.13803	1.6
463.28690	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.9079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94638	0.6
69.38824	2.5
86.23212	0.6
91.05769	0.7
94.93014	57.3
96.92860	0.8
107.60395	0.6
112.89641	0.8
115.40015	0.6
120.96658	3.6
132.96664	0.7
150.97696	1.7
160.93997	1.1
161.94766	2.0
180.97356	1.2
180.98793	1.0
185.04173	1.5
186.91728	0.8
195.45511	0.6
198.98572	2.0
203.05295	2.6
206.94638	1.0
208.97392	0.8
212.84277	0.9
216.90750	0.7
218.92226	21.0
218.98750	1.1
220.92407	0.7
227.10257	0.6
228.92850	1.2
241.00987	1.3
244.90163	100.0
245.90457	1.1
246.90091	0.9
250.93520	1.8
268.92111	1.2
274.51865	0.7
284.89377	1.2
288.89130	41.5
300.86835	2.0
301.01450	0.9
302.86609	5.8
326.84991	0.7
328.84619	3.2
328.88150	0.8
353.03500	0.6
365.10599	9.4
381.07974	7.2
390.34262	0.6
403.06036	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	463.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52601	1.9
71.45352	2.3
72.75168	2.1
78.95641	2.2
84.23996	2.3
94.93009	14.9
104.99284	1.9
112.89606	5.9
120.96655	56.8
121.10764	1.9
132.96637	8.2
150.97691	22.7
180.97466	7.7
180.98830	15.5
185.04231	11.1
186.91841	2.3
198.98578	11.7
203.05241	35.4
208.97260	2.9
210.98521	5.6
221.53377	2.0
222.99857	3.2
236.11874	2.8
240.93068	2.2
241.01039	18.7
244.90184	13.7
267.33414	2.1
268.91977	2.9
283.00583	4.6
288.89087	7.0
301.01675	4.6
302.82944	2.2
302.86462	10.6
328.84467	5.8
332.18619	2.0
336.14368	2.2
365.10556	100.0
366.10803	2.2
369.61533	2.3
381.07932	88.1
382.08731	2.4
403.06058	57.3
438.60468	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	463.1234
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
57.03408	0.8
61.02944	0.7
61.68594	0.9
64.71974	0.7
66.58797	0.8
69.26725	5.2
71.59695	0.8
80.62364	0.8
81.03430	1.1
85.02893	3.0
85.52276	0.8
86.09695	1.0
91.05817	1.8
93.07101	0.8
109.02887	1.5
121.02863	2.0
151.03912	4.7
163.03905	1.3
165.01828	10.5
167.03413	2.5
175.03951	2.3
177.05508	1.3
183.02879	3.4
195.02882	1.9
258.05331	0.9
268.07327	1.2
270.05154	4.4
271.06070	3.8
282.05267	4.6
286.04675	2.9
296.06775	8.6
297.07620	2.8
298.04718	24.0
299.05298	1.3
300.06235	7.0
301.07080	4.4
310.04697	5.0
310.08368	3.7
311.09097	5.9
313.07050	100.0
314.07672	9.1
320.06741	1.9
324.06229	13.6
325.07092	7.8
327.08633	2.8
328.05780	18.1
337.07083	2.1
338.07742	8.7
339.05258	1.3
339.08685	15.8
341.06671	1.2
343.08124	73.4
344.08441	2.6
348.06293	2.1
351.08609	2.5
353.06232	1.8
353.10196	15.3
360.03024	1.1
363.08585	2.9
364.05710	2.7
366.07086	1.6
367.08139	39.4
368.08469	1.4
376.05679	1.2
379.08136	12.9
381.09631	3.1
391.08160	6.5
394.07068	2.0
397.04013	1.7
397.09189	26.1
409.03888	1.7
409.09158	24.6
427.10251	24.2
428.10501	1.5
445.11313	17.2
462.30447	1.3
463.12393	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	463.1238
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
52.68666	0.1
68.99795	0.1
69.54891	0.2
69.55301	0.3
83.80965	0.1
83.99700	0.1
85.02882	0.2
85.61181	0.1
95.17321	0.1
96.97718	0.1
108.04459	0.1
117.03348	0.1
137.05904	0.3
153.01772	0.3
163.03883	0.2
189.63779	0.1
224.26042	0.1
229.04942	0.2
257.04651	0.2
258.05231	13.9
259.05609	0.5
286.04703	34.4
287.05090	1.2
298.04581	0.2
301.07050	100.0
302.07410	4.0
302.10211	0.1
313.07001	0.6
317.44278	0.1
328.05823	0.1
339.08798	0.1
343.08105	0.5
353.10516	0.1
367.08066	0.3
427.10229	0.2
441.58810	0.1
463.12399	1.1
463.31915	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	463.1838
Annotation	(+)-Plicamine
Peak:m/z	Relative Intensity
51.43084	0.6
51.79632	0.6
56.57453	0.7
61.58128	0.7
63.88236	0.9
70.02940	0.8
80.57144	0.6
91.05826	0.7
100.11253	1.8
165.01868	0.9
255.98282	0.7
283.60977	0.8
286.04797	2.0
287.13693	1.1
298.04776	1.3
301.07153	5.9
313.07077	4.9
328.05737	1.1
339.08514	0.7
343.08194	2.9
359.23517	1.5
360.02750	1.2
367.08011	2.5
397.09274	1.4
409.09177	1.3
427.10507	0.9
430.08832	0.7
445.11472	1.3
445.17834	0.8
463.18344	100.0
463.32352	15.8
464.18701	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.2
69.80599	2.5
72.62617	0.6
80.94841	1.0
93.58489	0.6
95.04955	0.7
134.97900	1.0
152.98944	0.9
160.96703	100.0
161.96999	0.9
196.97887	0.8
334.70782	0.7
352.38376	0.7
410.23773	0.9
463.19147	56.4
464.19324	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	463.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	15.2
57.03439	9.7
57.07086	2.5
67.05508	33.4
69.07067	17.4
69.21658	9.7
69.68233	1.4
79.05497	9.8
81.07062	33.8
83.08621	8.1
91.05459	4.6
93.07041	9.0
95.08606	30.6
97.06502	1.5
97.10174	4.7
97.27650	2.1
98.98472	45.7
98.99100	3.1
105.07044	4.4
105.07694	1.8
107.08604	5.6
109.10170	12.0
119.08607	5.4
121.10174	3.3
123.11719	4.6
127.01550	8.6
129.18295	1.7
133.10121	3.8
135.11732	2.0
147.11758	2.7
149.13240	2.4
155.01016	12.0
159.01689	1.8
163.14857	1.8
183.04179	25.7
185.94803	1.7
201.05267	6.2
245.22748	2.7
263.23822	3.8
325.43726	2.1
326.55029	2.0
337.27359	100.0
338.27780	5.8
370.19803	2.3
391.35501	1.8
463.31079	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	463.3033
Annotation	Dacryhainansterone
Peak:m/z	Relative Intensity
57.00088	0.6
59.48184	0.7
67.77472	0.6
69.00805	0.6
72.44965	0.6
81.07046	1.0
93.07031	0.6
95.08643	1.3
119.30412	0.7
198.43933	0.5
445.29276	77.6
446.29724	4.2
462.37698	0.9
463.30344	100.0
464.30838	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	463.3784
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
57.07077	41.4
59.55081	13.8
64.31641	15.7
69.07071	32.6
70.28751	13.8
71.08643	34.4
81.07082	27.7
85.10188	20.6
94.89303	11.5
95.08649	13.8
100.98941	14.1
109.06525	20.2
123.08123	18.9
127.07575	48.0
139.07579	100.0
177.09274	13.8
229.29712	18.2
316.30057	15.8
325.15314	14.3
411.21021	14.9
445.36661	43.4
463.37704	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05514	13.5
56.43502	8.7
57.07074	29.1
57.12410	7.2
62.77029	6.7
67.05501	9.1
69.07071	14.6
69.31155	40.0
71.08633	26.7
72.66560	7.1
78.40568	7.0
81.07071	24.0
83.08610	17.9
85.10183	12.3
93.07082	8.1
95.08631	14.5
97.10162	12.1
99.04456	9.5
109.06526	15.2
123.08057	12.9
125.06025	12.5
127.07534	42.3
139.07530	100.0
177.09160	14.5
180.12956	7.4
206.22829	7.6
275.01843	7.8
303.84213	7.9
347.33060	19.0
350.32571	9.3
417.37262	20.4
445.36502	44.6
463.37943	52.3
477.14343	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	464.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.3
57.03436	33.5
61.02927	10.5
69.03429	23.5
69.42311	8.9
71.01358	4.5
71.04995	36.6
72.82098	1.9
73.02917	63.3
75.04474	4.1
81.03413	5.5
83.05002	3.8
85.02905	100.0
87.04454	3.8
91.03933	3.2
91.05775	6.2
97.02892	40.7
99.04453	2.6
103.03938	2.8
107.04956	22.6
109.02885	5.1
115.03149	2.7
115.03941	40.3
117.21997	2.2
121.06515	9.3
123.04436	2.7
127.03933	20.4
129.05478	24.2
131.04938	4.9
132.06549	2.7
133.04979	12.0
135.04349	4.9
137.06042	2.8
145.04979	31.3
145.06433	3.8
147.04440	5.0
147.06541	13.3
150.07657	3.9
153.05501	10.5
157.03049	2.1
163.03920	17.8
163.06024	10.6
163.07306	2.1
164.09183	3.2
167.05586	4.9
173.05942	3.5
177.05435	4.1
187.07542	3.5
193.04869	2.2
201.55296	2.0
205.08693	4.7
219.06531	9.9
223.05920	2.6
233.28194	1.9
241.07130	6.7
259.08145	6.1
260.82559	2.1
261.07544	3.5
269.08109	4.1
291.50964	2.1
295.10312	7.6
297.07397	12.3
337.50711	2.2
359.02939	2.5
361.02646	5.5
367.13892	2.2
431.08698	6.8
464.11853	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	464.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
57.03439	10.6
61.02930	1.5
69.03434	2.8
70.06596	1.5
71.04992	71.7
73.02908	1.7
75.04467	4.2
83.04977	9.9
85.02905	100.0
87.04446	2.0
91.05801	1.8
97.02890	5.1
99.04448	2.2
111.04449	4.0
117.06969	1.2
120.08147	1.4
121.06497	11.6
127.03963	5.3
129.05476	44.1
131.08551	1.4
145.04985	3.6
145.06522	2.3
146.08156	1.8
147.06522	24.8
147.07640	1.9
148.07655	1.4
151.07555	1.1
159.08061	1.9
163.06165	1.8
163.07556	3.0
164.09198	7.5
165.07492	1.3
178.17416	1.1
179.07010	1.5
187.07520	5.8
197.08084	1.2
205.08635	5.6
206.85448	1.3
231.10121	2.4
249.11301	1.9
255.08684	2.8
262.12784	1.8
265.10663	2.0
267.08636	2.1
267.12250	2.2
273.09647	1.8
309.11838	2.0
332.85364	1.1
361.02780	3.0
383.88049	1.2
425.82147	1.1
431.09027	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.03439	10.8
59.04995	1.2
60.89530	0.9
62.81189	1.0
69.03429	3.5
70.74162	1.6
71.04997	70.6
73.02917	3.0
73.04748	1.2
73.95602	0.9
75.04479	5.2
81.03427	1.4
83.04984	9.2
85.02911	100.0
86.03248	2.0
87.04466	2.3
90.74579	0.9
97.02874	4.7
99.04433	1.1
102.37617	0.8
103.03914	1.2
111.04438	5.3
111.84848	0.9
119.80141	0.9
121.06529	9.2
127.03927	4.2
129.05489	47.9
130.05852	1.5
132.72644	1.0
135.08089	1.2
145.04942	4.5
145.06480	5.9
146.08144	1.3
147.06532	31.9
151.07552	1.0
159.08102	1.2
163.06247	1.3
163.07481	5.2
164.09189	3.4
171.06529	1.0
175.07567	2.8
185.09616	1.1
187.07552	7.7
205.08600	10.0
213.09087	1.5
225.07556	1.6
231.10233	3.5
249.11177	3.3
255.08623	1.9
267.12207	4.9
273.09653	2.6
309.11932	3.1
343.71588	1.2
361.02649	1.7
385.82935	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.24667	1.9
57.03426	5.9
70.02177	5.5
70.06575	2.6
70.84180	2.4
71.02197	2.3
71.04988	3.4
72.08156	4.5
73.04743	3.7
78.77453	2.4
79.05479	3.8
81.07082	2.8
85.02907	12.4
91.05465	13.6
95.01496	2.2
96.46485	2.1
97.02926	3.2
103.05460	5.1
105.03378	4.4
105.07036	20.2
106.80566	2.4
107.04971	7.0
109.06506	4.0
115.05417	2.5
115.64878	1.9
119.04944	22.5
120.08096	3.9
121.02881	3.6
121.06496	9.9
123.08163	2.8
129.10149	2.6
132.05746	3.6
133.06473	19.7
134.03612	4.3
135.04439	4.2
137.05956	2.5
140.04703	5.3
145.04976	2.4
147.04434	12.0
149.05992	17.7
151.07553	16.5
153.05463	59.7
161.05997	44.3
167.07042	12.3
168.07831	62.7
168.09254	2.1
169.02583	6.3
177.05539	6.8
178.06192	12.0
179.07040	4.5
181.08559	4.8
193.08591	70.3
194.09085	2.4
196.07323	52.0
209.08115	8.8
210.08965	2.6
211.09650	100.0
267.12280	9.6
285.13345	78.1
303.12076	2.2
306.54834	2.1
319.04190	6.3
345.05865	2.3
371.24927	2.3
464.19009	25.0
464.24966	3.4
465.17407	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	464.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.6
55.01876	0.9
55.05503	1.4
56.14967	0.5
57.03435	9.6
59.05013	1.0
61.02913	1.6
69.03436	2.7
70.06586	0.9
71.04994	71.9
71.45728	0.8
72.05331	0.8
73.02912	1.9
75.04486	4.9
81.03423	0.8
83.04980	5.9
85.02905	100.0
86.03239	0.9
87.04464	2.6
91.05458	0.9
93.07053	1.5
95.04970	3.3
95.08582	0.6
97.02888	3.5
99.04449	1.2
103.03948	1.2
109.02862	0.7
111.04425	4.3
121.06501	6.2
124.05952	0.5
127.03890	4.2
129.05481	42.6
130.05826	1.3
133.06418	0.6
135.08028	0.6
137.05945	0.5
139.07538	10.4
145.04964	4.3
146.08134	1.8
147.04523	1.1
147.06526	22.1
151.07581	1.2
161.06075	0.7
163.06030	1.1
163.07437	0.8
164.09184	7.3
181.08595	0.7
181.66687	0.5
205.08676	1.8
231.10254	0.8
249.11272	1.5
255.08701	1.7
267.12387	0.9
273.09686	1.6
302.23120	1.0
309.11850	1.8
336.05511	0.6
400.78949	0.7
464.21683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18409	0.7
53.03937	1.1
55.01857	1.8
55.05515	1.5
55.74846	0.6
57.03434	10.4
59.05006	0.7
61.02916	1.8
69.03417	2.6
70.53335	0.7
70.53662	0.6
71.01379	0.8
71.04993	72.5
72.97277	0.6
73.02921	2.4
75.04478	6.6
75.44667	0.6
81.03401	1.0
82.09438	0.7
83.04980	9.5
85.02903	100.0
86.03284	0.8
87.04459	2.9
97.02897	4.7
99.04453	2.1
101.06036	0.9
103.03951	1.7
106.30224	0.7
107.04977	3.2
109.02905	1.3
111.04451	4.9
115.03947	0.8
117.07088	0.6
121.06507	8.2
123.04426	1.4
127.03911	3.9
129.05476	45.7
131.08591	0.8
135.08034	0.8
145.04938	5.0
145.06477	3.6
146.08124	1.4
147.06516	27.1
163.06143	1.2
163.07581	2.2
164.09184	7.5
165.07707	1.1
171.06522	0.7
175.07582	1.6
187.07552	4.8
191.07169	0.7
205.08571	6.1
217.26892	0.6
229.08612	1.2
231.10216	1.9
247.09740	1.6
249.11339	1.7
255.08667	2.6
265.10742	1.5
267.12216	2.5
273.09671	2.6
303.04907	5.7
309.11798	3.0
318.15436	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01872	1.4
55.05509	5.6
55.39138	0.7
57.03436	19.3
57.07068	1.0
58.19098	0.7
59.04983	0.9
61.02924	5.7
65.03944	1.1
67.05499	1.7
69.03429	15.0
69.07069	3.8
70.15789	0.9
70.16140	1.5
71.01340	2.1
71.04991	1.0
73.02916	46.0
77.03923	1.3
79.05490	14.2
81.03415	2.5
81.07055	3.6
83.04982	5.7
85.02901	29.0
87.04447	1.2
91.03972	1.1
91.05476	18.9
93.07041	82.5
94.07331	0.8
95.04970	6.2
95.08604	4.0
96.04453	0.9
97.02251	1.5
97.02887	28.1
97.06528	0.9
99.04458	1.6
101.02329	0.7
103.03922	0.9
105.04526	2.7
105.07037	6.7
107.04904	0.9
107.08589	100.0
108.08898	0.9
109.02879	2.0
109.06512	1.6
109.10156	0.7
111.04420	0.9
115.03928	23.5
119.06056	2.3
119.08569	1.9
121.10159	3.6
127.03910	8.1
132.06561	1.5
133.04956	8.0
133.10159	1.4
135.11688	82.6
144.06474	1.1
145.04945	10.9
145.10118	0.8
147.11688	1.9
150.07584	4.5
153.12721	5.7
163.06032	5.6
181.08557	0.8
184.07275	1.8
185.03049	0.7
201.27707	0.8
223.06035	2.7
224.60194	0.7
241.07146	3.9
259.08179	2.2
295.10220	1.3
385.21454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.1
53.03943	3.1
55.01863	1.9
55.05510	6.1
57.03437	38.6
61.02929	11.8
65.03923	1.4
67.05502	11.1
69.03430	38.7
69.07053	4.9
70.27770	1.7
71.01346	3.9
71.04997	2.7
72.04505	1.2
73.02918	78.5
77.03922	1.9
79.05495	38.1
81.03426	5.9
81.07059	14.5
83.04968	2.7
83.53616	1.0
85.02907	74.0
87.04462	4.2
91.03947	2.6
91.05476	26.2
93.07047	100.0
94.07375	1.4
95.04977	10.4
95.08590	8.2
97.02892	62.7
99.04452	4.3
100.11255	1.3
103.03922	1.5
105.04539	4.9
105.07031	8.9
107.08595	95.4
108.08933	1.8
109.02854	5.3
109.06524	3.9
109.10166	1.7
111.04404	1.6
115.03934	44.0
117.07001	1.0
119.06084	2.0
119.08592	2.8
121.10135	2.3
127.03912	21.3
129.06990	1.2
131.08559	2.1
132.06573	2.7
133.04973	14.6
133.10143	2.8
135.11694	95.4
136.11992	1.4
143.08553	1.5
144.06577	1.0
145.04959	23.7
147.11699	1.0
150.07602	5.9
153.12737	11.6
159.11743	1.9
162.07553	1.2
162.79736	0.9
163.06038	6.9
165.12874	1.1
175.11194	1.2
177.12750	1.9
180.08615	0.9
193.04919	1.5
203.14386	1.0
223.05981	7.0
231.13855	1.1
241.06999	5.4
259.08075	5.9
267.15952	1.0
295.10251	1.1
464.18427	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	464.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
52.20593	1.2
53.03943	2.8
55.01874	7.7
55.05511	5.8
57.03440	22.8
59.05007	3.0
61.02930	15.4
62.50739	1.2
65.03902	1.4
67.05505	9.8
69.03434	34.8
69.07062	3.4
69.86972	4.1
71.01353	5.2
71.05005	1.6
73.02921	100.0
77.03925	3.0
79.05503	30.5
81.03418	7.7
81.07058	15.2
83.01342	1.1
83.04990	1.7
85.02911	94.7
85.36756	1.1
87.04478	3.6
88.04309	1.2
91.03958	1.9
91.05484	19.1
93.07048	78.8
95.04982	9.2
95.08632	7.0
96.04491	1.3
97.02898	60.6
99.04469	4.0
100.11250	2.2
102.04000	1.1
103.03946	2.6
105.04543	4.2
105.07020	8.1
107.08598	77.4
109.02905	5.3
109.06543	2.4
109.10192	1.6
111.04445	1.6
115.03931	34.9
115.04713	2.4
117.07019	2.1
119.06023	1.3
119.08619	1.8
121.10168	5.5
127.03921	27.4
131.08655	1.8
133.04973	32.2
133.10146	3.1
135.11699	76.7
137.09613	1.4
145.04968	35.7
147.11601	1.7
150.07648	6.7
153.12726	7.2
157.10117	1.3
163.06018	15.8
189.12671	1.6
193.05032	2.9
195.87444	1.3
203.14322	1.5
210.14873	1.4
223.06015	8.3
231.14041	1.3
241.07167	6.2
243.13835	1.8
249.14877	1.6
259.05878	1.3
259.08121	7.8
266.52667	1.2
267.15759	1.5
277.09323	1.6
286.70404	1.3
293.12134	1.2
295.10117	2.2
331.60245	1.4
383.82983	1.3
430.51978	1.5
455.32736	1.3
464.18765	26.0
464.33417	4.0
464.83585	1.5
465.18799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	8.1
56.05034	2.6
70.06611	2.2
71.04990	1.7
72.08156	100.0
73.04752	2.5
83.06108	39.9
84.04510	25.3
85.02911	4.6
86.09716	2.0
91.05410	2.5
91.05862	2.5
98.60369	1.4
101.07146	6.9
103.05463	2.5
120.08104	66.3
121.08441	1.7
129.06599	3.3
156.10190	3.0
158.09705	2.3
167.05539	2.6
186.09123	26.7
187.07639	1.7
189.12346	9.5
203.11838	5.2
205.08553	1.5
219.14891	1.8
230.12877	31.2
231.11278	22.1
231.13379	2.3
247.51884	1.8
248.13972	21.1
251.94887	1.4
258.12415	15.2
259.10602	2.5
276.13388	15.5
330.18112	4.9
357.19312	7.5
358.17432	10.3
361.02332	2.0
375.20309	9.4
433.41135	1.6
446.24072	20.9
447.23932	2.1
464.18759	2.5
464.25122	2.1
464.78650	2.9
465.13678	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	464.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
53.74306	0.5
55.01872	0.6
55.05264	0.6
55.05515	11.0
57.03439	6.8
57.07067	1.8
60.18023	0.5
65.03938	0.6
67.05508	22.8
69.06711	0.9
69.07067	13.7
69.12428	3.3
69.22142	0.5
71.04980	0.8
71.08630	0.6
79.05504	5.9
81.07058	21.2
83.04961	0.9
83.08633	5.0
83.62811	0.5
91.05481	4.9
93.07037	5.9
95.04964	0.8
95.08607	15.6
97.06541	1.4
97.10177	2.5
99.08068	0.7
105.07018	3.5
107.08611	3.0
108.11852	0.5
108.42760	0.6
109.06454	0.7
109.10152	6.6
111.11674	0.6
113.09581	0.8
119.08594	3.3
121.10149	2.3
122.35302	0.5
123.11727	2.9
124.01614	1.0
133.10138	2.6
135.11681	1.8
136.93082	1.3
142.58041	0.5
147.11671	1.5
149.13255	1.2
151.14851	0.8
154.94182	1.6
161.13231	0.9
172.95244	1.5
190.96310	0.8
210.96806	0.6
228.97867	0.9
260.27243	0.5
269.69519	0.6
292.26315	2.2
323.25803	100.0
324.26163	5.1
421.16785	3.5
430.67227	0.5
464.21964	2.5
464.27359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.9
57.03430	4.0
57.07082	2.3
60.16575	1.9
62.05815	3.1
62.06095	31.7
67.05508	31.1
69.07070	14.4
70.06610	2.0
71.05009	2.1
71.46529	2.1
79.05495	6.0
79.46072	2.0
81.07063	26.9
83.05000	2.5
83.08630	5.1
91.05453	4.9
93.07045	8.4
95.08611	21.7
96.92222	3.4
97.10184	4.4
98.98485	5.3
104.10751	3.3
105.07011	5.1
107.08588	5.0
109.10151	7.0
119.08559	5.0
121.10138	4.0
123.11640	2.1
135.11671	3.0
149.13321	2.2
155.01047	6.8
173.02216	2.5
177.89130	2.0
191.06967	2.3
216.06322	2.6
231.21147	3.0
232.05916	2.3
249.22168	4.9
278.64108	5.7
292.26379	11.4
323.25815	100.0
324.26114	3.2
446.26544	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	464.2858
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46200	0.4
55.01845	0.7
55.05465	1.7
56.05001	1.2
56.44261	0.5
57.03394	2.1
57.07021	0.5
58.06565	0.6
60.04497	0.6
61.02880	1.5
63.62178	0.6
65.03943	0.7
65.19010	0.5
67.05498	5.6
68.99743	0.6
69.03429	5.2
69.07027	1.8
70.06593	5.2
70.07893	1.6
71.04948	0.9
73.02894	0.8
79.05492	5.4
81.03365	2.2
81.07058	10.7
82.06538	0.6
82.47970	0.5
83.04933	0.7
83.08559	2.1
84.04455	0.5
84.08098	2.1
85.02908	8.8
85.06512	1.4
86.09677	1.1
87.04441	1.2
91.05433	3.6
93.07045	7.6
94.06539	0.7
95.04932	1.2
95.08604	6.3
96.08109	3.3
97.02892	3.7
97.06506	1.3
97.10107	0.6
98.09702	1.2
99.04417	0.8
99.08051	1.1
102.05479	0.7
103.05407	1.6
105.07017	3.2
107.08591	5.7
109.02826	2.0
109.06488	0.5
109.10145	2.6
110.09665	2.5
111.00784	0.8
111.03590	0.5
111.08059	0.9
112.07626	0.6
116.28483	0.5
117.06947	1.2
119.04887	0.5
119.08585	2.7
120.08064	1.7
121.02808	1.6
121.06474	0.5
121.10120	5.2
123.07998	1.1
123.11680	0.7
124.11223	1.1
125.09600	0.5
127.03869	2.1
127.07565	0.8
129.06995	1.0
129.10190	0.9
131.04135	0.6
131.04929	6.9
131.08553	2.6
133.10143	3.1
135.07961	0.6
135.11641	2.2
136.11226	0.6
137.02309	3.4
137.09563	0.9
145.04901	1.1
145.10118	1.1
147.04367	1.0
147.11642	1.8
149.09586	1.1
149.13206	0.7
151.11160	0.7
153.01810	4.4
157.10083	0.6
158.13774	0.5
159.11636	1.7
161.05923	0.7
161.13156	0.7
163.03915	0.6
163.07527	3.1
165.01781	2.2
169.02606	0.7
170.11740	0.7
171.11641	1.1
173.13284	0.5
175.14801	0.7
177.12601	0.5
183.02892	0.8
184.13287	1.0
187.04005	0.5
201.05406	1.8
203.17784	0.5
213.16336	1.2
228.65686	0.6
229.04999	4.8
231.17366	0.9
241.04829	0.6
248.20108	2.6
249.18419	1.8
257.04562	2.4
266.18515	1.0
266.21158	11.6
271.06027	0.6
274.04614	0.8
284.22189	14.1
285.04010	1.0
302.23245	63.7
303.04971	100.0
303.23611	2.9
315.04800	0.6
319.04440	0.8
326.23450	0.7
344.24396	0.6
344.76093	0.5
345.05820	0.9
410.25507	1.1
428.26318	1.1
441.67664	0.5
446.27530	2.2
462.82468	0.6
464.28568	23.7
465.10248	3.1
465.17407	1.4
465.29251	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67273	2.2
55.05513	8.6
65.04516	2.4
67.05500	11.3
69.07073	6.0
71.08629	7.9
76.94914	2.1
79.05492	7.4
81.03425	3.8
81.07066	15.4
83.04948	3.7
83.08583	4.7
84.04510	3.6
90.31655	2.7
91.05466	17.9
93.07047	13.9
95.04983	3.9
95.08597	14.2
97.10175	2.8
99.08102	5.4
103.05486	4.7
105.07024	6.1
107.04994	3.3
107.08611	6.1
109.10168	5.5
117.07014	6.2
119.04948	3.4
119.08574	5.1
121.06503	50.2
121.10155	3.0
123.08100	5.1
129.07024	4.9
131.04932	2.5
131.08585	8.8
133.06470	5.3
133.19623	2.8
137.05969	20.1
141.07010	6.8
143.08623	3.4
145.06480	6.9
145.10065	2.6
147.04442	4.4
149.02348	5.4
149.05986	22.8
149.61761	2.5
151.07539	7.8
151.11223	4.7
155.08556	5.3
155.10696	3.4
157.06467	6.9
159.08098	6.3
161.05989	7.5
163.07568	4.8
165.09164	3.0
169.06363	3.3
171.08040	6.6
173.05992	7.9
173.09540	3.2
175.07521	29.8
177.09172	5.3
183.08040	7.3
183.11891	2.6
185.06026	5.1
185.09671	4.7
187.07527	100.0
188.08337	3.1
189.09088	13.5
193.04935	4.1
195.08176	3.9
199.07565	5.5
201.09157	7.4
203.06931	3.2
203.10736	4.8
204.10152	13.5
205.08493	2.5
211.07538	3.1
213.09172	7.9
215.10669	4.6
216.06233	2.4
227.10687	2.8
230.15430	3.0
231.13832	14.3
233.13278	2.7
237.07541	3.6
248.16455	21.9
255.13774	4.3
257.15424	5.0
259.16998	3.5
269.15298	8.2
273.14877	5.7
279.13687	3.4
282.77713	2.4
283.16919	3.5
291.15863	4.7
297.14899	12.0
314.17499	3.1
315.15854	43.5
353.44397	2.7
375.23318	2.9
383.25839	7.5
393.24121	7.0
410.26645	2.9
411.25305	57.5
412.25662	4.5
428.27902	11.2
429.26379	38.6
446.28998	52.8
464.19626	3.6
464.30096	76.6
465.20612	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	464.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.5
55.05514	9.0
57.03435	1.8
57.07067	2.2
59.05010	1.3
65.03943	1.0
67.05508	22.8
69.03429	1.9
69.07075	5.2
69.64941	3.2
71.04994	2.3
71.08633	11.2
71.96880	0.8
79.05493	8.2
81.03410	6.2
81.07055	9.2
83.04977	7.9
83.08627	4.4
85.06552	1.5
87.49545	0.8
91.05487	10.3
91.43154	0.9
93.07053	9.3
95.04975	9.1
95.08609	11.2
97.06526	1.6
97.10175	6.7
98.23414	1.0
99.08099	8.8
105.07036	4.2
107.04932	1.3
107.08601	4.2
109.06538	1.4
109.10159	17.5
111.08091	1.6
113.63386	0.7
117.07021	2.0
119.04968	4.1
119.08597	4.1
121.06506	1.7
121.10149	2.4
123.08003	0.8
125.09638	5.3
131.08566	2.2
133.06502	2.0
133.10146	2.7
135.04425	1.0
135.08032	0.9
135.11760	1.8
137.05975	24.6
137.09622	4.5
139.11174	29.5
141.09123	2.9
143.08632	1.0
145.10155	1.4
147.04445	3.1
149.05995	1.7
149.09654	1.9
151.11180	74.4
152.11572	1.1
155.10686	5.5
159.11717	2.8
161.06004	4.3
161.09627	2.2
163.07559	0.8
163.11172	1.1
165.12782	2.8
170.49971	0.9
173.11743	10.9
173.13107	1.4
175.07671	1.4
177.12753	8.2
179.10638	1.6
187.07475	0.9
189.11270	1.8
191.14337	1.9
200.08241	0.8
201.12941	0.9
208.72604	0.9
217.12285	0.9
219.13817	0.8
229.19524	1.7
231.13792	6.2
237.14781	1.1
241.15880	1.5
245.15419	1.1
247.20547	1.6
257.15344	1.3
257.18958	1.8
259.05847	0.8
259.17075	2.1
274.18008	1.5
275.20010	6.0
293.21100	64.1
294.21591	3.3
311.22110	1.0
393.24606	1.0
411.25366	5.3
428.27948	1.0
429.26324	14.5
447.27527	2.5
464.30087	100.0
465.30380	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	465.1032
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01871	0.5
57.03436	0.7
57.74232	0.4
59.23798	0.4
61.05289	0.5
67.05504	0.6
68.99806	0.5
69.03424	0.9
69.07072	0.6
70.90842	0.4
71.01360	0.5
72.08155	1.0
73.02917	20.5
79.05482	0.9
81.03418	0.9
81.07058	1.1
85.02910	5.9
86.09706	0.8
87.04459	1.3
93.07022	0.6
97.02877	1.1
99.04411	0.7
107.08578	0.7
109.02857	1.0
109.95890	0.5
111.00800	0.8
117.05555	0.4
119.08570	0.7
120.08103	0.7
121.02853	1.0
121.10120	0.8
127.03927	1.1
134.03432	0.5
137.02315	2.6
145.04951	0.8
153.01830	4.2
153.12730	1.0
156.40742	0.5
163.03880	0.6
165.01830	1.8
173.06067	0.6
181.12221	0.5
183.02847	0.7
187.03883	0.7
201.05479	2.0
229.04974	4.1
233.36548	0.5
247.05988	0.7
257.04602	2.5
274.04669	1.2
285.03973	1.3
303.04984	100.0
304.05417	3.1
461.74161	0.5
465.21011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.95824	0.2
53.03941	0.6
55.01882	0.9
57.03434	0.9
57.41265	0.2
61.02928	2.0
65.03945	0.2
68.99786	0.8
69.03431	3.3
69.92184	0.2
69.92517	0.4
71.01379	0.2
71.05012	0.4
73.02911	0.4
81.03413	2.1
85.02903	10.6
87.04478	0.3
89.61953	0.2
91.03935	0.4
93.03401	0.4
94.53901	0.2
95.04956	0.2
97.02264	0.2
97.02890	3.4
98.23499	0.2
99.04446	0.7
103.14490	0.2
109.02888	1.4
111.00813	1.0
121.02884	1.3
123.04465	0.2
127.03915	1.6
135.04395	0.2
137.02335	3.4
141.00575	0.2
145.04945	1.6
145.10039	0.3
149.02336	0.5
153.01822	4.6
155.04918	0.4
161.05974	0.4
163.03929	0.7
165.01804	2.2
173.05977	0.6
183.02859	0.7
183.04395	0.4
187.03987	0.3
195.02959	0.4
201.05486	2.2
205.04932	0.3
219.06535	0.3
229.04956	4.7
230.05367	0.3
239.03282	0.2
247.05946	1.0
249.14780	0.2
257.04443	3.1
274.04764	0.8
275.05417	0.3
285.03906	1.8
303.04968	100.0
304.05310	3.1
306.01099	0.2
315.07739	0.3
344.08408	0.2
345.08643	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
52.15498	0.1
53.03946	0.2
55.01858	0.2
55.05503	0.2
56.05035	0.2
57.03434	0.4
60.04494	0.1
61.02912	0.3
62.51534	0.1
65.03926	0.3
67.01879	0.2
67.05512	0.6
68.99782	0.6
69.03434	1.0
69.07059	0.2
70.06602	0.6
70.75047	0.1
70.75385	0.1
71.04987	0.2
72.08151	0.2
73.02911	0.2
79.05483	0.8
81.03420	0.7
81.07050	1.0
82.06551	0.1
83.08600	0.2
84.08140	0.3
85.02906	2.1
86.06052	0.1
86.09707	0.2
87.04450	0.2
91.03945	0.1
91.05470	0.5
93.03403	0.3
93.07034	1.0
95.04972	0.5
95.08597	0.8
96.08134	0.4
97.02890	0.7
97.06522	0.1
98.09673	0.1
99.04442	0.2
99.08105	0.1
103.05489	0.1
105.04507	0.1
105.07026	0.3
105.85704	0.1
107.01375	0.1
107.08588	0.6
109.02885	0.9
109.10155	0.3
110.09703	0.2
111.00811	1.0
115.05519	0.1
117.06986	0.1
119.04920	0.1
119.08593	0.3
120.08121	0.2
121.02847	1.2
121.10117	0.4
123.04418	0.3
123.11691	0.1
124.11232	0.1
126.03152	0.1
127.03905	0.8
127.07585	0.1
129.07019	0.2
131.04947	0.3
131.08542	0.3
133.10110	0.3
135.04456	0.2
135.11697	0.3
137.02339	4.1
137.09641	0.1
140.01384	0.1
145.02838	0.1
145.04984	0.3
145.06488	0.1
145.10117	0.2
147.04416	0.6
147.11705	0.2
149.02335	0.6
149.09637	0.2
151.03888	0.1
153.01826	4.5
155.04906	0.3
159.11739	0.2
161.05998	0.4
163.03893	0.7
163.07443	0.1
165.01831	2.4
166.02606	0.3
169.02609	0.4
173.05997	0.6
177.01831	0.1
177.05484	0.2
179.03386	0.1
183.02881	0.9
183.04422	0.3
187.03862	0.3
191.03380	0.2
191.07028	0.2
195.02928	0.3
201.05463	2.3
205.05002	0.2
207.02928	0.1
215.03389	0.2
219.02835	0.2
219.06531	0.4
228.04144	0.2
229.04961	5.4
230.05342	0.2
231.17349	0.2
239.03365	0.2
246.05350	0.1
247.06015	0.7
248.20274	0.2
249.18398	0.2
257.04437	3.6
258.04831	0.2
266.21130	0.9
267.21558	0.4
273.03503	0.1
274.04761	1.2
275.05499	0.3
275.10150	0.1
284.22180	1.3
285.03925	1.6
285.22504	0.3
286.04523	0.1
302.03839	0.1
302.23251	5.3
303.04971	100.0
303.23523	1.8
304.05328	3.0
304.08807	0.2
319.04260	0.4
345.05936	0.2
350.24030	0.1
464.28601	1.6
465.10196	2.9
465.17300	1.4
465.28845	1.0
466.10776	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1032
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide
Peak:m/z	Relative Intensity
51.02387	1.0
51.68185	0.5
53.03936	0.5
55.01876	3.4
57.03436	1.7
57.31363	0.4
61.02925	1.9
63.45142	0.4
65.03943	0.9
67.05498	1.8
68.99780	2.6
69.03415	1.9
70.06565	0.4
71.01333	0.5
71.04974	0.9
71.85020	0.5
73.02911	4.6
77.03935	1.4
78.04687	0.5
79.05472	0.6
81.03407	1.2
83.01334	1.3
85.02909	5.1
86.09712	0.6
89.03901	0.8
89.39848	0.5
91.03863	0.4
91.05452	0.8
92.62897	0.4
93.03392	0.9
95.01318	2.3
95.04969	2.9
97.02893	2.5
105.03399	2.1
105.04510	0.9
105.07044	0.7
107.04953	7.6
109.02864	1.1
111.00791	0.9
111.04440	1.2
115.03938	2.4
119.08606	0.7
121.02840	2.5
121.06516	0.7
123.04426	100.0
124.05197	1.6
125.05994	0.5
127.03915	19.6
129.05470	0.7
131.04944	1.2
133.02835	0.7
133.04973	0.7
135.04413	12.9
135.07983	0.6
137.02351	1.9
137.05997	1.6
139.03889	12.6
141.01860	0.4
141.06908	0.9
145.04991	0.8
146.03577	0.7
147.04443	2.7
149.02335	2.0
149.05965	3.7
150.03151	1.5
151.03906	4.0
153.01776	0.5
153.05492	1.3
155.04887	0.7
157.06551	0.6
159.04430	1.3
161.02383	0.6
161.05974	1.2
162.03069	0.5
163.03900	17.6
165.01845	2.8
165.05504	0.8
167.03433	3.8
169.06514	0.8
173.05962	1.4
175.03918	1.2
175.07474	0.8
177.01831	8.2
177.03520	0.5
177.04051	0.8
177.05415	3.8
179.03389	14.5
181.06477	0.6
183.02882	0.5
183.04329	0.6
185.05966	0.5
187.03883	2.2
189.01820	0.7
189.05420	0.8
191.03406	7.4
193.04932	0.9
195.02892	5.7
197.06012	1.6
201.05501	1.5
203.03401	5.2
203.07005	0.6
205.01349	1.8
205.04984	3.3
207.02922	1.9
209.04431	0.9
215.03345	1.6
215.07059	0.8
217.04964	2.2
219.02878	9.3
221.04358	2.1
223.02374	11.2
223.05861	0.5
225.05524	1.0
229.04970	3.1
231.02916	3.1
233.04413	4.1
237.05545	0.8
243.02994	0.5
243.06544	1.9
245.04488	2.8
247.02313	0.7
247.05948	0.5
248.13643	0.7
249.03912	2.1
249.13815	0.5
251.05269	1.1
253.04854	1.1
255.06514	3.8
257.04446	1.3
259.02362	2.7
261.03955	4.4
264.21057	0.4
265.14404	1.2
266.14682	1.8
267.15009	2.0
268.15244	0.8
269.06650	0.6
271.06000	88.8
272.06729	18.0
273.07425	2.5
277.03458	0.7
279.04965	15.3
283.06055	1.7
285.06058	1.4
287.05728	0.6
289.03510	1.1
289.07065	2.8
295.04269	3.6
297.06088	6.8
299.05515	0.9
301.03464	0.8
303.04999	4.6
303.08304	0.6
307.04260	2.2
308.06433	0.4
309.07236	0.7
311.05615	2.7
313.05591	1.4
319.04431	7.3
321.03726	0.5
321.07413	0.6
323.05423	1.2
325.05521	15.7
337.05615	9.4
338.06601	0.5
339.04874	0.5
367.07767	1.0
383.07196	0.5
401.08676	0.8
411.07056	2.9
419.09521	0.5
429.08167	5.6
447.09335	3.6
465.10019	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	465.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.9
69.01109	0.4
70.20964	0.6
70.21301	1.1
79.05513	0.6
81.07064	1.2
85.02918	0.5
93.06997	0.5
98.23515	0.5
100.11246	1.0
107.08645	0.5
127.00040	0.5
159.99168	0.4
185.04306	0.8
201.05237	1.4
210.14854	1.0
216.07574	11.2
217.08344	9.1
227.05283	1.5
271.04239	2.5
311.43564	0.5
316.77814	0.5
324.18771	0.5
339.16068	0.5
368.50082	0.6
379.13632	3.6
403.13394	0.9
405.15265	0.7
421.14688	29.8
422.15021	1.5
423.15448	0.7
464.18463	0.9
464.33063	1.4
464.83707	2.4
465.13541	100.0
465.19101	50.0
465.32977	1.6
466.13779	4.9
466.19458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34889	0.4
58.76292	0.5
70.59843	0.7
77.50582	0.5
81.07025	0.7
82.48985	0.4
85.02871	1.1
87.13840	0.5
120.08115	0.7
137.05904	0.6
147.04408	1.3
169.02670	1.2
223.67050	0.5
303.09915	12.4
314.75015	0.4
319.04279	1.7
348.13196	0.6
465.15186	100.0
466.15570	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	465.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.05519	1.9
57.03436	9.5
70.06530	2.4
71.04992	81.5
73.02931	2.1
75.04486	3.7
78.84663	0.9
83.04980	5.0
85.02903	100.0
86.03240	1.2
87.04488	2.2
91.05476	1.1
97.02929	1.0
98.23363	1.3
99.04417	1.3
111.04453	1.9
119.04887	0.8
123.03151	1.6
127.03966	2.0
129.05475	48.7
133.06519	1.2
140.03436	3.3
144.13852	1.0
145.04965	1.8
146.08121	1.9
147.04350	0.9
147.06526	24.8
161.06013	1.6
164.09174	12.2
167.07045	1.6
181.09503	0.9
193.08681	1.8
222.68909	0.8
263.13965	1.2
303.23236	1.4
312.09186	1.1
465.12701	1.2
465.18665	1.1
465.26892	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	465.1735
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
50.17390	0.4
51.14602	0.4
54.38164	0.3
62.00903	0.3
64.39468	0.4
64.91280	0.4
71.06745	0.4
71.07101	0.6
86.09712	0.5
117.07025	1.1
128.96924	0.4
158.67732	0.4
190.66211	0.4
215.11705	0.4
231.01033	0.4
262.96185	0.4
319.11581	1.2
347.09402	3.3
384.02802	0.5
465.17334	100.0
466.17621	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	465.1739
Annotation	1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one
Peak:m/z	Relative Intensity
54.94178	0.9
57.85738	0.7
73.02918	1.0
78.21393	0.7
83.42864	0.9
85.02919	1.5
85.31306	0.9
86.09706	1.8
86.93655	0.7
97.02924	1.1
107.08630	0.9
120.08131	3.3
148.09019	0.8
154.04984	1.9
167.07036	0.9
173.64642	0.8
181.99361	0.9
188.07253	0.8
193.08725	1.0
215.50349	0.8
220.07698	0.9
236.14633	0.8
237.02768	1.5
267.57422	0.8
284.07571	0.8
303.09854	1.1
319.10648	1.4
337.11603	1.9
353.99008	0.9
465.17343	100.0
466.17661	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	465.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.7
54.87129	1.8
55.01871	5.8
55.05512	16.7
57.03431	8.4
57.07064	4.2
65.07066	1.7
67.05511	20.2
69.03431	3.9
69.07076	12.9
71.08626	20.4
75.41737	1.8
79.05493	13.2
81.03412	3.4
81.07061	16.9
81.10435	1.9
83.04971	10.5
83.08619	7.8
85.06551	2.7
91.05472	8.3
93.07051	13.0
95.04967	5.3
95.08599	7.9
97.10175	10.5
98.98480	36.4
99.08114	11.2
105.07026	5.6
106.55335	2.2
107.04955	4.2
107.08598	8.4
109.06498	2.7
109.10165	6.4
117.07037	3.1
119.08540	2.3
121.06511	5.6
121.10159	4.1
123.08043	2.6
125.09636	10.9
126.22036	2.0
131.08571	3.3
133.10106	7.4
135.08066	4.1
137.09695	2.6
139.98276	2.0
151.11186	5.7
153.09105	4.2
155.01070	4.1
159.11662	1.8
165.12794	2.9
173.02158	3.4
177.12785	3.7
189.11214	4.9
195.13802	2.3
201.78458	2.0
207.99353	2.0
209.80884	2.1
227.12794	3.8
253.14412	2.9
265.21539	2.3
275.20090	18.5
293.21121	100.0
294.21219	3.1
337.02441	6.4
349.23706	8.8
367.24823	66.9
368.25253	3.4
393.08517	7.6
429.20493	21.4
447.21609	17.0
449.14520	2.5
465.24179	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	465.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92992	1.4
52.35213	1.2
53.03934	1.4
55.01883	8.1
55.05513	23.1
57.03437	11.0
57.07074	8.7
67.05502	10.9
67.06047	1.4
69.07068	29.0
71.08628	6.5
73.02910	5.6
79.05492	6.2
81.07063	17.5
83.08618	21.9
85.10192	2.3
86.19698	1.5
91.05456	2.1
93.06515	1.2
93.07045	8.8
95.08608	10.6
97.06546	4.1
97.10175	16.1
98.98468	69.1
105.07061	2.8
107.08619	4.5
109.10163	4.3
111.08098	2.1
111.11735	4.2
111.38014	1.4
116.99523	1.8
119.08579	3.2
121.10150	9.0
123.11694	3.2
129.05496	1.5
135.11699	5.9
137.00027	2.3
145.10208	1.7
149.13271	3.3
153.65930	1.3
155.01042	62.4
159.04173	25.5
161.13297	2.4
163.14790	1.6
211.03877	1.5
219.21121	3.1
229.04774	5.4
237.22104	10.9
294.17203	1.4
311.25800	100.0
312.26151	4.8
329.24518	50.3
330.24939	1.7
336.26282	1.7
370.27286	3.5
447.24939	20.0
465.29855	69.6
466.30090	4.3
483.43768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	4.0
58.99588	3.4
60.04525	3.2
60.08160	6.7
60.09005	3.0
66.03477	3.9
67.01855	6.1
68.83205	3.5
68.98003	3.0
70.02954	20.0
71.07383	3.8
74.02409	3.2
76.03989	6.7
79.05486	4.4
83.06116	22.6
84.04510	37.4
86.09701	29.4
88.03981	3.8
91.05479	12.5
99.05575	10.0
103.05477	10.8
103.80268	3.2
104.10757	3.6
104.96341	3.2
111.02666	3.4
115.05436	7.4
116.01650	7.5
121.01051	4.9
123.02648	7.4
125.00005	12.1
128.03401	3.0
128.06221	10.1
129.06871	9.1
130.04974	10.8
135.02652	7.6
144.08025	3.0
145.06082	100.0
147.02623	17.8
151.02078	4.5
153.06587	3.7
154.06482	7.1
155.07249	4.5
156.08086	5.1
161.04204	5.6
162.03714	3.4
163.02179	3.3
167.01607	20.3
171.02641	13.5
173.02914	10.5
173.04227	7.9
174.03688	17.7
175.02100	9.5
182.06024	3.2
184.07356	72.8
187.04483	4.0
188.05295	11.0
189.03645	6.6
190.06778	3.8
199.07123	4.0
211.07333	3.2
216.04744	17.5
217.03169	11.6
234.05887	17.9
242.08174	3.1
244.04269	4.3
274.05212	5.3
277.06421	36.6
291.08102	3.5
300.06918	10.5
302.04785	12.3
319.07428	11.4
320.05847	13.7
328.06473	5.7
335.14584	3.0
337.08603	27.2
373.08521	3.7
380.29733	3.2
391.09607	33.5
466.12982	6.5
466.21512	4.2
467.14835	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	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
55.01876	4.5
55.05511	1.5
56.85595	0.7
57.03440	7.5
57.07068	2.2
61.02930	6.5
67.05502	5.4
69.03432	17.6
69.07066	6.3
71.01359	1.7
71.04988	1.1
73.02921	38.9
79.05492	7.5
81.03410	2.8
81.07058	100.0
82.07389	0.8
83.08626	0.9
85.02906	44.1
87.04471	2.4
91.03961	2.4
91.05473	0.9
93.07049	2.8
95.08610	23.8
97.02894	29.0
97.10157	0.7
99.04461	2.3
103.03954	1.4
105.07039	1.6
106.61839	0.6
107.08635	0.9
109.02277	0.6
109.02837	3.4
109.06528	0.7
109.10164	2.1
111.08098	1.0
111.11717	4.1
115.03931	18.2
115.04702	1.2
116.04263	0.6
119.08587	0.7
121.10149	0.7
127.03915	16.6
133.04965	21.6
135.11736	1.1
137.13255	29.9
145.04955	19.3
147.06488	0.7
150.07631	2.6
153.12691	1.5
155.14287	4.4
156.21434	0.6
157.05028	1.0
163.06029	11.2
179.14316	1.0
193.05119	0.9
199.06059	1.0
211.05989	0.8
217.07155	0.9
223.05980	4.9
233.15475	1.3
241.07108	4.3
251.16467	1.6
259.08154	9.6
269.17340	0.8
277.09216	1.5
281.17511	0.9
295.10245	3.8
355.19534	0.8
466.26263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.265
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91219	0.6
55.01873	2.1
55.05513	1.1
57.03437	4.0
61.02924	2.2
67.05499	3.1
69.03426	7.6
69.58305	2.6
71.01341	1.2
73.02914	11.6
79.05499	6.3
81.03416	0.9
81.07056	100.0
82.07393	2.3
85.02908	20.1
87.04427	0.8
91.03986	1.0
93.07043	1.2
95.04942	0.9
95.08605	8.4
97.02331	1.3
97.02900	13.6
98.09675	0.9
98.23442	0.7
99.04474	1.3
103.03948	1.0
103.05547	0.7
109.02880	1.8
109.10118	0.8
115.03928	7.4
127.03912	7.8
133.04962	11.5
137.13260	31.4
145.04955	11.6
163.05994	6.2
193.04971	0.8
198.14885	0.9
223.06032	2.4
241.07089	2.4
259.08099	7.9
277.09225	0.9
295.10229	7.1
317.19836	2.0
443.51770	0.9
448.07520	0.8
466.15567	0.8
467.35776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
53.59259	0.5
55.05512	0.5
55.97731	0.5
57.03434	4.1
57.07066	1.7
61.02919	2.4
65.03955	0.6
67.05505	3.4
67.73962	0.6
69.03430	5.3
69.07064	2.3
69.65522	1.1
69.65917	1.2
71.01351	0.8
73.02915	12.1
75.05016	0.5
79.05495	7.8
81.03421	0.6
81.07056	100.0
82.07397	1.0
85.02909	12.5
87.04478	0.6
95.08606	15.9
97.02890	13.2
99.04446	0.5
109.02907	1.3
109.10159	0.8
115.03925	12.1
127.03905	4.4
127.94361	0.6
133.04964	3.6
137.13257	22.3
138.13586	0.6
145.04971	4.9
163.06001	3.7
223.06091	2.1
237.47148	0.6
241.07062	2.8
259.08221	2.3
265.92587	0.6
295.10419	3.5
401.08310	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36418	0.4
53.03942	1.3
55.01875	1.5
55.05507	0.6
57.03447	2.9
57.07082	1.8
57.12793	0.3
59.04994	0.9
61.02938	2.2
62.39621	0.3
65.03932	0.3
67.05517	3.3
69.03432	7.0
69.07066	2.3
69.33891	1.9
71.01343	0.6
73.02920	12.1
79.05499	8.5
81.03425	1.0
81.07059	100.0
82.07397	1.8
85.02908	18.3
87.04488	1.2
91.03968	0.9
93.07060	0.7
95.04949	0.3
95.08611	15.7
97.02896	12.1
99.04459	1.2
103.03953	0.6
109.02882	1.5
109.10155	1.0
115.03940	6.2
127.03928	7.1
133.04974	9.8
137.13258	24.7
138.13649	0.6
145.04967	9.5
150.07684	0.4
151.61751	0.4
154.15903	0.7
163.06030	5.4
174.02461	0.3
180.08612	0.4
198.09981	0.4
199.06071	0.4
217.07079	0.6
223.06064	1.8
241.07126	2.5
259.08179	5.2
277.09274	1.1
281.17117	0.4
295.10226	3.9
302.07840	0.3
320.71231	0.4
325.90817	0.4
330.13849	0.4
427.19107	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82080	0.2
53.03940	0.7
55.01873	0.4
55.05515	12.4
56.05034	0.7
56.96555	0.9
57.03181	0.5
57.03441	6.7
57.06817	0.4
57.07080	5.6
58.06603	19.6
59.04990	0.3
65.03940	0.5
67.05162	0.5
67.05509	9.9
69.07070	19.9
69.41411	0.7
69.41824	0.6
71.04981	0.8
71.08627	2.2
71.41000	0.3
72.08149	0.3
79.05495	4.9
81.07059	11.9
83.04961	0.5
83.08624	12.1
85.06554	0.8
85.10168	1.0
90.82149	0.2
91.05460	0.9
93.07047	6.0
95.04971	0.4
95.08614	9.5
96.92240	0.5
97.06525	2.1
97.10170	6.6
99.08071	0.4
101.05988	0.3
104.10763	0.4
107.08598	4.3
109.10160	3.7
110.97504	0.4
111.08102	1.5
111.11723	1.6
121.10146	6.8
123.11725	1.9
125.09666	0.6
135.11699	4.3
136.11995	0.3
137.13242	1.5
139.11185	0.7
149.13274	2.1
150.11011	0.3
156.04207	4.3
159.49408	0.3
163.14857	0.7
184.71906	0.3
187.32970	0.3
219.21126	0.7
230.07874	0.6
237.22189	0.9
286.19046	0.3
293.14139	0.3
297.13831	0.4
311.25800	100.0
312.26096	4.3
333.17371	2.7
351.18393	1.0
407.21054	0.5
442.52097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49955	0.6
53.03909	1.0
55.05466	3.3
56.04991	0.9
57.03392	2.4
58.06567	1.2
60.04483	1.7
61.02881	2.1
67.05501	11.4
69.03435	6.1
69.07079	3.5
69.13866	3.6
70.06598	10.4
71.04948	1.7
72.08123	0.6
73.02861	2.2
74.06041	1.0
79.05496	5.8
81.03371	2.2
81.07059	15.2
81.37061	0.6
83.08559	2.5
84.08099	1.5
85.02904	13.7
85.06471	1.1
86.06046	0.7
87.04460	1.3
91.05466	3.1
91.05918	0.7
92.05129	0.7
92.87902	0.6
93.07043	5.4
94.06519	0.6
95.04939	0.6
95.08610	18.1
97.02905	5.5
97.06513	0.9
97.10126	1.5
97.34758	0.6
98.06075	0.6
99.04380	1.0
105.06993	2.1
107.08585	4.9
109.02831	1.3
109.06495	0.7
109.10162	9.8
111.08038	1.5
113.05977	0.7
113.09572	0.7
115.03898	0.7
119.08523	2.7
121.10149	4.6
123.11646	2.8
125.09604	0.9
127.03873	2.2
131.08554	1.4
133.10165	3.0
135.11710	3.0
136.23264	0.7
137.09572	1.8
143.38411	0.6
145.04903	1.5
145.10069	2.1
147.11621	1.7
149.13246	3.0
151.11128	0.9
159.11662	1.7
161.13222	2.2
164.06935	0.6
167.06955	0.6
168.13699	1.2
173.13120	0.9
215.17970	2.3
233.18907	2.1
250.21683	14.8
251.19992	2.6
268.22723	33.0
286.10791	1.1
286.23764	28.1
304.05338	0.6
304.11938	2.5
304.24814	100.0
305.25232	3.8
310.23792	1.0
328.24969	0.7
346.25949	1.3
352.24881	0.7
412.27054	2.0
430.28049	1.7
448.29034	2.1
466.17154	4.9
466.30176	34.7
467.15771	0.9
467.30682	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1529
Annotation	TERNSTROSIDE C
Peak:m/z	Relative Intensity
69.90511	1.9
81.03221	0.6
83.01089	1.0
84.01867	0.9
95.01089	2.5
96.01861	0.9
101.61550	0.6
108.81993	0.6
112.01350	1.5
113.02128	3.7
126.02938	0.8
129.34782	0.6
157.04741	0.7
182.15547	0.7
184.07417	0.7
185.04189	5.1
200.78960	0.5
201.03671	1.0
210.14845	1.3
230.05565	1.8
243.08377	0.7
259.07974	1.3
270.08194	0.6
305.13821	0.6
467.15253	100.0
468.15549	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	467.1911
Annotation	Trp Asp Phe
Peak:m/z	Relative Intensity
53.25589	0.2
67.05521	0.2
69.03435	0.2
70.06579	0.3
71.45968	0.3
73.02928	0.7
73.46201	0.3
85.02911	0.7
90.42543	0.2
97.02905	0.5
107.04976	0.2
111.04453	0.3
115.03947	0.6
123.04426	3.0
124.04770	0.8
125.04993	0.6
127.03923	0.4
135.04398	0.4
136.07564	0.4
137.02400	0.5
137.06010	1.0
139.03911	2.1
141.11125	0.3
145.04962	0.4
147.04399	0.6
149.02406	0.7
153.01825	0.5
163.03911	0.8
171.05052	0.8
179.03423	0.4
191.03325	0.3
203.05180	0.5
231.06590	0.4
259.05963	0.5
261.03821	0.3
261.13455	0.5
271.06158	0.8
272.06635	0.9
273.06537	1.3
279.14410	3.3
279.17197	0.3
287.05511	0.6
287.12589	1.6
297.15463	0.8
305.06403	0.7
305.12714	0.9
320.48117	0.3
323.13422	2.6
327.06003	0.3
329.12296	0.4
347.13397	2.6
365.14508	1.7
394.47711	0.3
449.17838	1.9
467.18918	100.0
468.19147	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	467.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.05495	1.7
57.07066	1.2
62.98264	2.9
65.03938	1.1
67.05491	1.0
67.23843	0.5
69.03416	1.4
69.07047	1.0
71.04980	0.7
75.56993	0.5
79.05484	1.1
81.03404	1.5
81.07055	1.1
83.08591	0.7
85.02914	0.7
89.06023	1.1
91.05476	49.0
92.05819	0.6
93.07050	0.9
95.04954	0.8
95.08604	1.3
98.98434	0.6
104.06241	3.5
105.07025	9.7
107.08563	0.7
109.10138	0.8
111.08063	0.5
115.05437	0.4
117.07013	0.9
122.91687	0.5
123.08020	0.5
124.93762	13.8
131.08554	1.0
133.10121	100.0
134.10483	1.1
145.10152	0.6
147.08046	8.7
147.09140	0.9
147.11646	1.2
149.09628	1.8
153.09064	0.9
155.01006	0.7
156.96384	19.0
159.11760	0.5
167.74120	0.4
171.10202	0.6
171.11642	0.6
185.13297	0.6
187.11243	0.6
191.00848	0.5
198.97455	1.3
212.99066	2.8
213.12772	1.0
225.05946	0.5
231.00073	1.0
263.17892	0.5
279.17502	0.9
299.19614	2.2
313.27435	1.1
371.56567	0.4
421.24481	0.5
435.18872	5.2
438.04416	0.5
467.21500	43.0
467.33295	17.6
468.21829	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03430	3.5
57.06820	0.7
57.07079	9.8
62.52168	0.6
62.98255	5.5
65.27014	0.6
67.05499	4.5
69.07075	3.1
71.08630	6.3
72.36465	0.7
81.07063	4.9
83.08643	3.5
85.10188	3.5
88.84337	0.8
89.30169	0.6
93.07059	1.0
95.08598	6.7
95.09023	0.6
97.10168	0.9
98.98473	14.1
105.07026	2.4
107.08602	1.3
109.10165	2.1
113.00014	3.0
119.01902	1.6
119.08594	1.8
123.11721	1.8
124.93774	22.9
133.10121	1.2
135.11758	0.9
136.99980	0.8
137.02982	1.1
140.32893	0.7
145.10161	1.0
147.11723	0.9
155.01042	14.4
156.96387	29.4
161.13217	0.8
169.02625	1.8
173.13306	0.6
175.14954	1.0
187.14871	0.6
198.97472	0.9
212.99004	4.5
231.00104	1.8
239.23764	1.0
285.22244	1.3
299.19644	2.1
313.27362	30.6
314.27734	1.1
321.15540	0.9
335.94324	0.7
338.27765	3.2
385.29111	0.8
387.29724	0.7
421.24176	1.8
435.18884	10.8
449.26563	4.1
451.61206	0.7
467.21475	100.0
468.21985	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	467.277
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57637	0.4
55.05518	4.4
57.03178	0.7
57.03438	9.2
57.07076	30.6
67.05503	8.1
69.07071	6.2
71.08632	20.7
71.08949	0.4
71.09033	0.8
75.04494	0.6
79.05487	1.3
81.07059	11.6
83.08621	6.6
85.06547	0.6
85.10181	11.6
89.06031	1.7
90.07438	0.4
90.68017	0.4
91.05482	0.5
93.07037	0.8
95.08606	16.4
97.10182	3.0
98.98470	39.5
105.07023	0.6
107.08615	0.6
109.10155	6.1
111.11725	0.8
116.99492	0.5
119.01929	0.9
119.08596	1.5
121.10126	0.6
123.11720	2.4
137.00008	3.7
137.13240	0.9
145.10217	0.6
151.14790	0.4
155.01038	46.0
156.96329	0.4
169.02550	0.5
175.14850	0.5
193.02654	0.7
200.24107	0.4
211.03613	1.1
221.22694	0.5
225.06177	0.5
229.04739	2.0
239.23694	4.1
243.07233	0.6
257.24744	1.1
263.79144	0.4
277.21771	0.6
285.22110	1.0
295.22522	0.5
313.27362	100.0
314.27737	4.4
321.15503	1.0
393.24075	2.7
421.24557	1.2
449.26559	15.5
450.26767	0.5
467.21091	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2798
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
52.13506	0.3
55.00639	0.3
65.03931	1.4
67.05462	0.4
70.76326	0.2
80.94856	0.3
81.07054	0.7
89.81535	0.2
91.05483	11.1
93.07024	0.4
95.04970	0.3
104.10782	0.3
105.07032	0.4
107.08581	0.4
109.10130	0.3
115.41413	0.3
119.04945	23.5
125.09562	0.3
129.30421	0.2
131.08580	0.3
133.10126	0.3
133.86244	0.3
147.04408	100.0
148.04761	1.9
156.09250	0.3
160.43872	0.3
161.13284	0.3
173.13249	0.3
175.14801	0.4
219.90430	0.3
241.33403	0.3
242.46780	0.3
267.20920	0.7
285.22089	2.0
303.23132	1.9
409.95602	0.3
444.17563	0.3
467.28339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3502
Annotation	2,3-Epoxyphylloquinone
Peak:m/z	Relative Intensity
55.30120	0.7
57.07068	1.2
58.82165	0.7
62.98274	0.9
65.25330	0.8
69.07059	0.9
69.50770	3.1
71.92210	0.7
75.99463	0.7
81.07052	1.1
89.06032	2.0
93.21069	0.7
95.08590	1.0
107.57771	0.7
107.58659	0.8
119.65703	0.7
124.93801	3.0
156.96396	3.8
161.63188	0.8
179.06735	0.8
180.14587	0.7
184.00691	0.8
298.57904	0.8
321.22745	1.3
339.29129	0.9
435.18771	2.1
467.21548	14.7
467.35031	100.0
468.21695	1.0
468.35074	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	468.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.0
56.89263	0.7
57.38624	0.8
58.99585	8.4
67.05503	3.8
69.03419	1.1
69.07056	1.2
71.04958	0.7
76.02231	14.0
79.05497	4.4
79.65308	0.7
81.07063	8.6
83.04966	2.5
85.02898	1.1
85.06528	2.2
86.99036	4.4
88.02229	1.6
88.04005	3.5
91.05482	6.4
93.07042	16.0
93.07602	1.2
95.04977	6.4
95.08607	4.4
97.02878	1.3
97.06546	1.5
99.04456	1.1
105.00098	8.8
105.04512	1.0
105.07030	11.1
107.04952	2.5
107.08607	5.8
109.06526	2.8
109.10166	3.2
111.04436	1.1
111.08108	1.1
115.05437	0.8
117.07009	4.1
119.04933	6.2
119.08588	13.3
119.46615	0.7
121.06490	4.5
121.10133	5.3
122.02728	100.0
123.04433	7.1
123.08089	1.1
125.05968	1.5
128.06230	1.2
129.07019	2.2
130.07774	1.2
131.08559	4.9
132.86053	0.8
133.06456	1.1
133.10135	3.1
133.49875	0.7
135.04335	0.7
135.08057	2.3
137.06062	1.3
142.07762	1.4
143.08569	6.2
145.02890	1.7
145.06491	3.0
145.10138	12.5
147.04442	1.8
147.08051	2.9
147.11687	5.1
148.05823	0.8
149.05984	1.2
149.09608	1.1
155.08571	3.0
157.10136	9.3
159.08060	2.0
159.11694	6.0
161.09654	0.9
161.13222	2.5
163.07512	2.0
163.11179	3.4
165.07054	0.9
167.08559	1.2
169.10164	3.7
171.08098	1.0
171.11673	2.8
173.09590	2.6
173.13249	1.4
175.11186	2.0
177.05482	1.1
177.12839	0.8
180.09299	0.8
181.08595	7.4
181.10117	2.5
183.11708	2.3
185.09662	3.1
185.13292	4.4
187.11142	4.1
189.09181	1.3
189.12671	1.0
191.10661	2.1
195.11630	4.2
197.13252	3.1
199.11174	1.4
199.14832	1.3
201.12814	1.1
203.10657	3.1
203.14294	3.0
207.11687	0.7
209.09569	1.1
209.13217	5.1
211.11215	1.1
211.14810	2.0
213.12766	2.6
219.11722	1.7
222.13724	1.0
225.12697	1.2
227.17937	2.0
231.10179	1.0
231.13795	6.1
237.12720	5.4
237.16338	4.1
239.14348	1.0
239.17981	3.0
241.12195	1.0
247.14658	0.9
253.15970	1.1
255.13777	3.7
255.17471	3.5
259.13138	0.9
265.12344	1.2
265.15863	5.4
267.17566	1.3
273.18549	1.2
283.13306	5.6
283.16910	12.9
285.18347	0.9
293.15326	2.3
301.14612	1.5
301.17966	9.1
303.19608	0.8
311.16415	16.1
329.13702	1.4
329.17480	27.7
330.17572	0.8
345.15335	1.1
347.18524	20.7
348.18695	0.8
404.18875	1.1
432.18488	1.0
450.19629	5.4
468.20413	23.7
468.26602	2.9
469.20557	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	468.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
58.06594	1.4
65.03938	1.6
67.05502	3.0
69.03416	1.5
69.07066	1.5
69.20673	4.4
70.06580	1.1
71.04983	1.5
72.08149	14.4
73.27393	0.6
79.05482	1.4
81.03418	4.5
81.07050	3.3
83.04990	1.7
84.08136	2.7
85.02901	2.8
89.03926	3.5
91.05479	9.7
93.07040	0.8
95.04958	2.0
95.08598	0.9
97.02874	1.0
97.06505	0.9
98.09718	1.1
99.04435	1.5
100.07606	0.8
100.11256	0.9
105.07015	1.6
109.02904	1.8
109.10174	1.9
112.11225	7.5
117.03380	13.3
119.04937	19.8
120.05331	1.0
121.06540	1.1
129.13882	4.2
130.76909	0.8
133.10117	2.1
134.03661	1.1
145.02843	54.7
146.03221	1.2
146.16505	4.3
147.04402	90.0
148.04715	1.6
149.05956	5.3
151.11200	0.7
155.11830	2.1
163.03926	1.5
172.14485	1.0
175.08702	1.2
177.05466	88.8
178.05771	1.9
179.10703	1.4
182.15431	1.6
186.05475	0.9
191.08142	15.1
198.14891	1.1
203.11761	1.1
204.10191	43.3
205.10524	1.6
210.14899	1.6
218.11734	1.5
226.14500	0.9
229.14354	1.7
234.11215	6.6
248.12762	11.3
253.14369	2.2
271.15414	2.9
275.17538	3.3
292.20169	7.5
304.20102	0.8
305.18539	3.0
307.12729	3.9
318.18326	1.1
318.74814	0.8
322.21234	17.1
325.13950	3.4
331.12857	1.2
349.14038	1.0
349.36740	0.8
354.23853	1.1
415.14825	1.7
433.16324	1.8
450.24072	1.6
451.16907	1.2
451.22287	13.7
452.22708	1.3
464.13199	0.8
468.24939	100.0
469.21271	0.8
469.25226	6.7
469.33542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05039	0.5
57.03441	0.2
57.07081	0.8
58.06594	0.3
59.07396	0.2
60.08163	5.7
64.59930	0.2
67.05498	0.3
69.07059	0.2
69.57298	0.5
71.07373	2.6
71.08614	0.6
81.07062	0.3
83.08624	0.1
85.10194	0.2
86.09704	26.8
87.10043	0.4
89.05994	0.1
92.88335	0.1
95.08605	0.4
95.94141	0.1
98.98463	2.5
104.10742	2.6
124.99999	20.0
133.73123	0.1
149.45622	0.2
184.07338	100.0
185.07654	1.1
258.11032	0.2
285.24255	0.7
442.71429	0.2
450.29636	1.4
468.30850	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	468.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22203	0.3
55.05516	1.3
56.05032	2.2
56.47305	0.3
57.03442	1.7
57.07080	6.1
58.06603	100.0
59.06933	0.6
62.48398	0.3
62.93279	0.3
67.05499	2.2
69.07072	1.5
71.08630	4.5
72.08965	0.7
76.07643	5.7
79.05502	0.5
81.07056	2.5
83.08645	1.3
85.10181	2.7
86.10538	0.4
93.07072	0.6
95.08616	2.9
97.10135	0.8
97.98457	0.3
98.98472	4.1
105.07126	0.5
109.10188	1.1
123.11771	0.5
134.98207	1.4
155.01065	3.7
156.01419	0.9
156.04263	0.6
220.41278	0.3
230.08011	0.6
270.52289	0.4
283.17633	0.5
313.27374	26.8
314.27731	7.7
343.75647	0.3
409.34070	0.4
429.24200	0.3
450.27948	1.2
450.28915	1.1
468.30981	2.6
469.23242	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	468.3089
Annotation	Buprenorphine
Peak:m/z	Relative Intensity
54.32732	0.3
55.05507	0.6
56.05029	0.9
57.03432	0.8
57.07074	3.0
58.06602	1.5
58.92612	0.3
60.08165	16.8
67.05501	0.7
69.07059	1.0
70.92319	0.7
71.07376	5.8
71.08626	2.1
73.70580	0.3
74.55131	0.3
81.07050	1.1
85.10184	1.0
86.09705	48.4
87.10024	0.5
95.08600	1.8
98.23306	0.4
98.98464	3.2
104.10742	100.0
105.11082	0.8
109.10196	0.6
123.11723	0.4
125.00003	23.4
163.01561	0.8
184.07339	95.2
185.07687	1.3
248.89000	0.3
258.11105	0.7
285.24246	2.6
450.29803	8.9
468.30869	35.7
469.31314	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	468.3091
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
55.05510	5.1
57.03445	6.5
57.07078	69.9
57.61895	1.0
58.06606	1.6
58.07408	1.9
59.04976	1.1
60.72440	0.9
62.05778	1.6
62.06090	29.3
62.41624	0.8
67.05511	7.6
69.07072	8.4
69.46993	0.9
70.43058	1.0
70.43381	1.5
71.08633	48.3
72.08144	1.2
72.08964	1.7
73.06547	3.4
81.07063	8.6
82.07404	1.4
83.08613	6.4
85.10180	29.8
87.04465	3.1
89.06034	65.1
93.07037	1.1
95.08604	10.0
96.08955	1.2
97.10166	7.9
98.98478	17.0
99.11714	5.7
103.03940	1.3
107.07048	1.8
109.10166	5.7
111.11735	2.6
113.13280	3.2
117.09122	1.2
118.72415	0.9
123.11681	2.1
124.01609	2.2
130.08644	1.2
133.08607	37.0
142.02591	1.4
151.09758	1.0
155.01053	14.6
156.01375	1.6
169.19525	1.1
173.02057	1.1
177.11237	15.5
195.12201	2.6
198.05302	1.4
213.22040	1.8
216.06342	2.2
221.13788	2.9
239.14766	2.3
252.49606	1.0
253.25101	1.2
257.24799	4.2
283.17490	21.7
296.29483	11.0
297.29657	1.0
301.27350	2.2
313.27399	2.4
314.27692	15.1
327.28934	100.0
328.29318	4.9
339.28119	1.3
407.25681	5.8
407.33743	1.6
450.27103	2.9
451.30362	1.3
451.36325	24.2
468.30939	1.1
468.38123	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93447	1.8
55.01858	3.0
55.05508	27.1
57.07069	8.0
67.05507	22.0
69.03410	4.9
69.07069	45.4
71.04988	4.0
71.08628	3.5
71.16927	2.2
71.28470	1.6
73.02913	2.6
79.05499	9.3
79.37306	1.7
81.07057	42.0
82.07400	5.0
83.04992	2.9
83.08626	30.5
85.02902	11.4
85.06541	2.8
91.05489	9.8
93.07044	14.3
94.08696	2.2
95.04949	2.7
95.08610	34.8
97.02914	2.7
97.06528	6.1
97.10172	30.6
99.08107	4.6
105.07011	10.7
107.08590	10.5
109.06465	1.8
109.10180	19.3
110.85544	1.7
111.08066	3.9
111.11715	12.7
119.08624	11.9
119.09377	2.6
121.10139	17.2
123.08074	3.0
123.11709	7.9
125.09635	3.4
125.13271	5.8
127.03911	3.6
129.09038	3.2
133.10117	14.0
135.11707	19.0
137.09608	4.0
137.13251	7.4
139.11176	3.4
145.04977	2.5
147.11685	11.1
149.13269	5.0
151.11188	6.8
151.14833	5.2
153.12756	6.6
155.10751	2.2
157.12254	2.7
161.13280	9.8
165.12790	6.0
171.13739	2.1
175.14824	4.1
179.14359	4.7
183.13922	2.1
191.18164	2.0
193.19504	3.4
217.19511	30.2
217.21414	3.2
235.20560	45.1
253.21629	100.0
254.21944	4.6
271.19733	3.1
271.22684	61.9
272.23029	4.6
289.23718	5.6
302.96606	1.7
376.63062	1.8
401.82913	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	468.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
57.03435	0.3
57.07072	1.5
58.06596	0.8
60.08165	10.9
67.05496	0.2
69.07059	0.2
70.15858	0.4
71.07376	4.0
71.08644	0.9
72.08141	0.4
75.04480	1.0
77.61898	0.2
85.10193	0.5
86.09708	24.4
88.34538	0.2
98.23373	0.2
98.98468	2.3
104.10744	100.0
105.11070	0.9
120.94334	0.2
125.00002	13.8
143.01035	0.3
147.36801	0.2
184.07346	15.2
195.87735	0.2
249.64340	0.2
300.38885	0.2
381.25998	0.6
387.03720	0.2
415.87784	0.2
426.80783	0.2
450.33618	0.2
468.34500	30.1
469.35007	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05030	0.9
57.03436	0.5
57.07065	1.4
57.71096	0.2
58.06588	1.2
59.07350	0.2
60.08162	11.9
67.05502	0.3
69.27409	0.3
69.27798	0.7
70.06568	0.2
71.07372	4.0
71.08627	0.8
75.04515	0.9
84.22214	0.2
85.10187	0.6
86.09703	25.1
87.10042	0.3
94.27194	0.2
95.08562	0.2
98.98453	2.6
104.10739	100.0
105.11090	0.8
107.07041	0.2
119.23626	0.2
124.99998	15.7
143.01108	0.2
181.02568	0.2
184.07333	14.6
256.46851	0.2
468.34494	27.8
469.34769	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84388	1.4
55.05517	6.4
57.03434	4.6
57.07077	82.9
58.07423	1.9
60.82917	1.5
62.06087	16.9
67.02460	1.6
67.05496	5.1
69.07070	10.0
69.21136	9.3
69.99612	1.5
71.08632	63.9
72.08159	3.7
73.06571	3.3
79.38033	1.7
80.85964	1.6
81.07051	7.3
83.08649	4.9
83.51717	1.6
85.10185	37.6
87.04479	5.9
89.06030	100.0
93.07048	2.5
95.08607	7.9
97.10177	6.8
98.23357	3.3
98.98490	9.2
99.11730	10.2
103.03947	5.1
105.07059	1.8
105.86830	1.8
107.07108	2.2
109.10162	2.1
111.11745	6.9
113.13274	3.6
117.09178	2.0
122.61948	1.9
133.07588	3.6
133.08604	59.8
139.91933	1.7
151.14955	1.8
151.97893	1.5
155.01028	11.3
167.69180	1.6
177.11223	26.9
192.13065	1.7
195.12329	4.5
213.22043	2.6
216.06279	1.8
221.13879	4.8
239.14917	3.7
257.24808	5.9
283.17505	39.7
296.29440	10.2
301.27435	4.6
313.27454	3.4
314.27753	14.8
327.28915	71.2
328.29282	4.3
407.25516	3.6
407.33646	3.2
450.29517	2.4
451.36334	43.4
452.36517	4.8
468.39703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48420	1.5
55.05512	5.1
56.71002	1.4
57.07076	66.9
58.06602	2.5
60.95920	1.7
63.69234	1.4
67.05490	1.9
69.07068	9.7
71.08631	48.2
71.09031	2.3
72.08156	35.6
73.06536	4.2
79.05513	2.0
80.32787	1.4
81.07050	2.3
83.08621	4.3
83.87725	1.6
85.10185	29.9
85.10690	2.1
89.06033	100.0
91.05516	1.5
93.07051	1.9
95.08622	3.9
97.10194	6.6
98.98447	6.7
99.11750	9.9
107.07045	1.9
109.10172	2.9
111.11725	3.2
113.13272	4.5
117.09126	3.5
127.42721	1.4
133.08604	65.1
146.11862	1.6
155.01082	6.6
169.19550	2.9
177.11220	26.6
193.52989	1.7
195.12297	3.4
203.69347	2.0
221.13892	4.7
239.14977	4.2
257.24857	4.7
263.08887	1.9
283.17514	50.6
301.27158	4.4
311.26279	1.7
313.27420	2.1
314.27658	9.3
386.49728	1.7
450.27121	2.1
451.30301	3.3
451.36288	47.5
451.42526	2.8
468.33734	2.1
469.29434	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
57.07079	58.4
59.04993	1.4
62.66003	1.1
66.67654	1.1
67.05505	2.8
69.07085	5.6
70.69347	1.1
70.81077	1.3
71.08635	40.7
73.06561	4.0
75.63517	1.1
81.07051	3.5
82.31121	1.3
83.08606	2.6
85.10185	30.0
87.04465	2.7
89.06033	100.0
91.12337	1.2
95.08633	3.1
97.10178	5.1
98.98465	4.9
99.11744	7.2
107.07063	1.4
111.11733	3.5
113.13307	2.9
117.09142	3.2
129.02985	1.1
130.08646	2.3
133.08609	58.7
151.09677	2.1
155.01010	6.0
160.21082	1.1
165.09105	1.4
169.19498	5.4
177.11237	20.4
195.12219	4.2
197.31689	1.4
213.22086	2.2
221.13895	2.1
239.14882	4.0
257.24710	8.1
283.17514	34.0
295.89755	1.5
301.27417	4.1
313.27301	2.2
314.27658	13.5
330.74426	1.1
393.23923	1.6
407.33469	1.8
409.77875	1.4
439.30649	1.3
450.26840	2.7
451.36304	38.4
452.36685	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	469.1111
Annotation	Cadensin G
Peak:m/z	Relative Intensity
60.43378	1.4
60.82377	1.4
70.06145	3.7
112.00790	1.3
137.73328	1.3
140.55818	1.7
140.63199	1.4
318.72827	1.5
329.87286	1.6
331.78030	1.6
469.11090	100.0
470.11395	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	469.1472
Annotation	Polycarpine
Peak:m/z	Relative Intensity
55.05518	6.2
69.03422	2.5
69.16435	7.9
69.16840	4.4
70.06597	4.4
72.08145	8.9
78.67426	2.1
79.03233	1.9
79.12628	2.1
81.07047	9.6
83.08582	2.9
84.08153	2.6
85.02911	2.4
86.09743	3.1
91.05477	3.1
95.04976	3.2
98.09677	5.7
98.23443	4.7
98.97601	4.7
99.08073	3.4
100.07615	5.6
100.11265	8.7
108.14410	1.8
111.04411	2.7
112.07666	2.1
112.11242	2.1
116.10736	2.9
116.98634	2.2
117.03376	6.5
119.04930	3.2
125.08351	3.2
128.07086	4.5
133.10100	2.4
140.07147	2.4
145.02824	17.1
146.03180	3.5
146.16541	2.3
147.04399	20.7
148.04767	5.2
151.07510	5.3
161.02954	2.1
177.05464	20.1
178.05803	5.0
182.15413	13.1
184.07396	2.9
188.39539	2.0
198.14917	8.9
199.07584	6.7
204.10175	3.2
210.14940	16.2
226.14427	6.5
227.17603	2.2
234.11261	7.3
237.02771	3.2
238.13187	10.8
292.20306	5.0
323.08069	6.1
337.21176	4.6
341.09006	6.8
354.23846	8.6
437.20920	10.9
452.22720	2.5
452.31122	5.6
468.24792	7.6
469.14664	100.0
469.25372	17.6
469.33041	13.2
470.14642	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	469.1682
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
56.96582	0.6
89.03928	1.2
95.04953	0.4
105.08179	0.3
106.21210	0.3
117.03405	0.9
123.04469	0.9
126.00184	0.3
135.04379	1.7
136.06175	0.4
139.03845	0.4
145.02832	1.5
163.03885	5.8
164.04266	0.4
177.05495	1.4
191.00163	0.5
209.01189	0.8
218.99654	2.4
237.00708	12.4
245.94551	0.3
255.01698	3.7
255.43193	0.3
260.02179	0.4
289.06924	0.5
290.07547	0.5
323.10873	2.6
335.92514	0.4
399.04037	0.4
469.16806	100.0
470.17166	6.0
470.23697	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1686
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
64.18769	0.4
66.00838	0.6
81.03146	0.4
83.01115	1.0
84.01889	1.0
95.01089	3.2
96.01879	1.1
112.01315	1.8
113.02132	4.3
117.87405	0.4
126.02919	1.0
148.97604	0.3
154.45555	0.3
157.04794	1.0
167.03252	0.7
184.36113	0.4
185.04247	5.3
201.03743	1.8
202.04341	0.5
203.05304	1.0
217.04726	1.9
232.07074	20.0
233.07628	0.9
243.08455	0.6
259.07913	3.2
265.12637	0.4
275.08899	2.1
307.11472	0.4
338.35703	0.4
409.17017	1.0
438.15063	2.1
439.15775	1.7
469.16815	100.0
470.17136	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	469.1685
Annotation	PRIM-O-GLUCOSYLCIMIFUGIN
Peak:m/z	Relative Intensity
50.60825	1.7
64.82440	1.8
69.49155	8.1
78.72649	1.8
87.03898	1.8
87.17048	1.7
88.37698	1.6
95.01045	2.1
98.22743	2.6
113.02108	2.5
152.57217	1.7
185.04134	5.0
201.03755	2.3
209.02715	2.2
232.07077	15.3
259.07944	2.5
290.47345	2.0
439.15485	2.2
469.16742	100.0
470.17062	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	469.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33118	0.4
53.03947	3.7
55.01872	2.2
55.05508	1.6
57.03423	1.7
59.04997	0.9
69.03429	9.5
70.03489	0.8
70.03853	0.7
71.01340	0.6
71.04998	5.1
73.02911	0.6
81.03419	23.3
81.07045	1.8
83.04982	4.8
85.02896	1.5
92.26836	0.4
98.09688	0.7
99.04462	10.7
100.07596	0.4
100.11262	2.1
102.88816	0.4
103.03962	2.2
107.82706	0.4
109.02881	9.6
110.07979	0.4
111.04434	0.9
116.10751	0.7
117.05495	2.7
118.06516	2.1
127.03906	2.5
128.07065	0.7
145.07616	4.2
145.81796	0.3
147.09161	7.8
148.04202	0.4
162.07935	0.9
163.08591	1.1
173.07104	9.0
174.07271	0.4
175.08669	10.2
176.09277	0.4
182.15408	1.7
184.07478	0.4
191.08151	100.0
192.08498	1.6
198.14943	1.9
199.08675	1.0
203.08133	1.2
204.08952	1.0
205.09676	0.5
209.16522	0.5
210.14880	3.0
213.10251	0.7
226.14429	1.1
231.11266	1.4
233.09196	0.7
234.74181	0.4
243.11307	0.8
247.37332	0.4
271.10754	2.1
272.26282	0.4
275.99362	0.4
289.11868	7.2
307.12875	34.3
308.13193	1.0
325.13931	30.5
326.14264	1.4
331.12881	7.0
337.21152	0.6
349.13916	6.7
354.23859	1.5
371.15930	1.4
389.17004	3.5
397.13873	4.5
407.18021	0.8
415.09866	0.7
415.15021	10.7
416.15378	0.6
433.16077	12.3
451.17166	11.9
451.32715	0.6
452.17447	0.4
452.31146	1.0
453.34210	0.8
469.33649	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56211	0.2
53.03939	2.0
53.75725	0.2
55.01880	2.5
57.03428	1.2
59.04998	0.3
69.03433	9.9
69.11001	1.3
71.01337	0.2
71.04646	0.5
71.04998	7.5
73.02882	0.3
74.08050	0.2
79.55232	0.2
81.02967	0.5
81.03423	8.4
83.04989	1.5
84.63628	0.2
84.67850	0.2
85.02895	0.3
86.09685	0.4
87.04448	0.4
90.44600	0.2
91.05482	0.4
98.22632	0.5
99.04462	4.5
106.31444	0.2
109.02886	2.6
116.04955	0.5
117.05503	1.8
118.06548	3.1
120.78314	0.3
127.03899	0.6
128.06239	0.3
145.07613	4.8
147.09177	3.6
149.51859	0.2
162.07878	0.3
163.08656	0.6
165.05417	0.2
169.64429	0.2
173.07118	9.0
175.08681	4.7
176.09145	0.4
176.75185	0.3
184.07382	0.6
190.07439	0.3
191.08156	100.0
192.08522	2.1
203.08252	0.3
213.10326	0.3
231.11290	0.6
233.09186	0.5
271.10904	0.5
289.11862	4.0
302.03180	0.3
307.12881	69.6
308.13300	2.0
313.00537	0.3
325.13950	17.3
326.14279	1.1
350.15265	0.3
385.36786	0.3
389.17007	0.7
397.13763	0.9
407.17987	1.3
409.16058	0.9
415.14944	1.1
433.16086	4.6
434.16241	0.4
451.17023	0.8
469.16397	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.5
70.68459	0.2
70.68796	0.2
73.35082	0.2
77.09781	0.2
78.04720	0.3
79.28941	0.2
82.06573	0.2
89.03918	5.5
91.05478	0.4
95.04963	0.2
100.07618	1.0
100.11256	0.2
106.04172	0.4
117.03384	16.9
118.03725	0.3
134.03658	1.1
135.04436	1.0
145.02853	49.3
146.03210	0.7
149.05989	6.1
149.34547	0.1
158.06100	0.2
162.03136	0.3
163.03918	0.5
177.05476	100.0
178.05844	1.9
184.07330	0.3
186.05505	0.9
210.14824	0.2
264.12390	0.2
276.12317	22.5
277.12738	0.5
282.23810	0.2
293.14963	7.3
305.82660	0.2
469.19672	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.205
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
64.81857	0.4
69.93202	1.2
70.06599	0.6
76.28423	0.5
88.21560	0.5
98.37290	0.4
100.11251	1.0
120.35145	0.5
142.12288	1.9
156.13884	1.5
170.11798	1.1
175.82739	0.5
182.15364	1.0
184.13326	1.0
210.14955	0.6
286.25079	0.6
300.26501	0.6
312.18121	0.6
333.08011	2.1
337.16122	0.7
434.17670	0.5
448.78876	0.6
469.20438	100.0
469.37482	2.4
470.20697	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	469.2049
Annotation	Trp Thr Tyr
Peak:m/z	Relative Intensity
53.60684	0.3
61.01618	0.3
61.30688	0.3
70.13464	0.9
73.55300	0.2
140.66264	0.3
182.15352	0.5
210.14961	0.4
220.54962	0.3
295.06357	0.3
333.07962	2.3
335.09579	0.6
337.16251	1.1
468.36020	0.3
469.20453	100.0
470.20871	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	469.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04950	0.5
55.05496	0.6
57.07063	1.8
58.72675	0.4
62.98256	6.2
66.13573	0.4
67.05479	0.9
69.07056	0.7
71.08617	0.8
81.07043	1.0
83.08543	0.5
89.06046	2.8
91.05448	0.5
93.09251	0.5
95.08611	0.7
98.22667	0.9
107.08617	0.9
112.99992	0.7
121.10144	0.5
124.93771	45.0
133.08554	0.7
133.10094	0.7
134.98198	1.4
142.94739	0.5
150.32976	0.5
156.96384	68.3
169.02489	0.6
170.19487	0.5
177.11238	0.5
197.99091	0.5
198.97534	1.1
212.98982	7.6
231.00146	0.7
283.17584	0.6
301.21164	1.1
340.29315	1.7
437.20370	10.1
438.20407	0.7
469.23044	100.0
470.23468	4.6
470.33505	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.1
57.03432	2.0
57.07072	2.4
57.73495	0.9
58.06598	7.3
62.71611	0.9
67.05508	13.1
69.07073	3.5
71.08638	2.1
79.05505	6.7
81.07054	10.8
83.08617	2.3
85.10170	1.7
88.77620	0.9
88.94127	0.8
91.05486	4.3
93.07043	7.3
95.08604	8.4
96.08958	1.1
97.10199	1.0
98.98492	3.2
103.03927	2.5
105.04500	0.9
105.07024	2.7
107.08617	2.9
109.10174	3.4
119.08607	1.7
121.10180	2.9
134.98189	34.3
135.11702	1.4
149.08092	3.0
150.08481	1.4
155.01054	2.3
157.01482	1.7
167.95190	2.4
176.00790	1.2
176.99390	1.1
209.01891	3.3
232.52704	0.9
313.27325	4.4
314.27737	4.1
315.28070	6.6
335.25839	10.3
357.23941	6.7
375.25256	1.2
437.20978	1.9
451.22043	2.4
451.27597	2.0
456.68674	1.1
469.23260	100.0
470.23236	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24389	1.5
50.28772	1.6
50.29006	1.5
51.02377	1.6
52.43783	1.8
53.03939	5.7
55.01864	8.2
55.05291	1.7
55.05510	15.1
57.03426	3.0
57.07071	5.4
61.02917	4.0
65.03947	4.1
67.05505	40.0
68.05818	1.7
69.03429	14.9
69.07070	17.3
69.11947	9.9
71.04999	4.0
73.02924	2.1
77.03914	1.8
79.05492	18.5
81.03418	13.3
81.07057	45.5
83.05001	7.8
83.08615	6.8
84.04491	2.4
85.02911	30.3
85.06516	4.4
87.00841	13.0
89.86812	1.7
91.05482	32.9
93.07045	100.0
95.04961	16.3
95.08011	3.3
95.08608	45.5
97.02901	14.1
97.06542	2.8
97.10166	3.2
99.04424	3.4
100.11267	6.1
103.03946	4.4
105.01881	9.9
105.04493	5.8
105.07027	54.1
105.07732	3.2
107.04984	2.4
107.08591	58.7
109.02887	11.0
109.06506	8.1
109.10156	79.3
111.04437	3.2
111.08085	24.2
115.03931	5.0
117.06989	4.2
119.08582	43.7
121.10141	30.4
123.08063	4.6
123.11743	11.6
124.68256	1.9
125.09623	8.3
127.03925	19.0
129.01849	2.8
129.07008	2.2
131.08578	8.8
133.10129	24.3
135.08038	5.4
135.11696	42.8
136.11978	1.6
137.05988	2.0
137.09619	6.0
139.11203	1.7
143.08574	4.5
145.04987	3.8
145.10109	12.8
147.02881	1.8
147.08017	2.8
147.11681	51.8
148.05966	2.4
148.12047	2.2
149.09653	3.9
149.13232	5.1
151.07469	1.9
151.11143	2.8
155.08522	2.1
156.13834	5.0
157.10136	4.9
159.02934	3.6
159.08072	2.6
159.11697	10.8
161.09575	2.1
161.13240	14.4
163.11127	1.7
163.14781	4.6
165.09099	1.9
165.12717	2.6
167.08633	1.8
169.10155	2.2
171.11684	2.7
173.13271	5.7
175.14828	5.9
177.12729	2.2
181.08607	2.4
182.15469	2.9
183.11752	2.0
184.13321	3.3
184.46625	1.5
185.13300	3.0
187.11147	3.2
187.14873	3.2
189.03893	3.2
189.16370	1.7
195.10155	2.7
197.13184	2.0
201.04015	1.9
201.16360	4.7
203.14182	4.0
203.17960	40.6
205.12225	1.9
213.16364	2.7
215.17941	3.9
221.18974	5.4
231.04897	3.3
231.17345	2.5
233.18936	2.2
243.17554	3.5
245.18958	4.0
261.18558	2.7
287.19986	2.2
293.18951	2.5
311.20013	5.9
329.21042	5.9
415.21066	2.1
433.22391	4.2
451.23047	5.4
468.87018	1.8
469.24973	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	470.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.5
58.99582	3.6
69.03436	0.7
70.06586	0.9
70.73500	0.5
71.04995	0.6
72.08145	1.6
72.11678	0.5
76.02227	21.7
76.03976	0.7
81.03446	0.4
84.04507	5.2
86.09676	0.7
86.99034	0.5
89.13797	0.4
95.04978	0.7
97.72406	0.5
102.04698	0.5
103.05468	42.4
104.05793	0.9
105.04494	0.8
116.01672	5.7
116.27228	0.6
117.03353	0.7
118.31966	0.5
130.05022	3.4
131.04927	100.0
132.05251	2.4
135.04399	1.2
142.03198	2.5
144.01100	3.6
145.02876	0.7
162.02213	9.4
163.03909	7.0
163.07542	32.4
164.07948	0.9
170.02655	0.8
179.04854	20.1
187.05341	1.0
191.08138	3.7
192.08517	3.5
212.99117	0.6
220.09746	3.7
233.05896	6.0
245.06050	0.7
307.12915	1.5
308.09122	27.5
308.13022	2.8
309.09204	0.7
326.14224	1.1
443.77536	0.5
470.22861	5.4
471.09186	1.0
471.22943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.05510	33.3
57.07079	0.7
59.04953	0.6
62.91933	0.6
67.05504	1.4
69.03422	3.5
69.07069	0.7
69.60175	2.0
70.06619	0.7
71.04990	20.8
76.89906	0.5
77.03909	1.0
79.05482	6.0
81.03416	1.9
81.07058	31.3
83.04979	19.8
85.02900	7.6
86.09693	0.7
87.00814	2.8
89.06024	1.2
91.05487	0.7
93.07037	0.8
95.04967	1.1
95.08588	0.9
97.02876	2.4
97.06523	7.6
99.04456	1.3
100.91344	0.7
105.01875	6.7
105.03368	0.9
105.07022	0.9
107.08592	9.1
109.02887	1.8
109.06515	1.4
109.10159	10.5
113.05984	1.5
121.10077	0.7
123.04419	0.9
123.11701	9.4
127.03937	3.5
127.11190	10.7
130.04106	0.6
131.07060	1.6
131.18011	0.6
133.02846	3.0
133.10129	1.1
135.04388	0.9
139.03886	0.7
145.02911	0.9
145.04990	1.5
151.11188	8.3
163.03909	3.1
164.04182	1.4
169.12234	100.0
170.12552	2.5
184.43802	0.6
218.99588	0.9
221.05862	0.7
231.05003	1.2
237.00696	4.5
238.01048	3.5
249.05957	1.7
255.01678	1.4
256.02029	1.2
265.03201	0.7
295.09375	1.4
324.13406	1.3
399.16287	0.8
453.13449	2.8
470.11108	7.6
471.14926	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.05511	33.7
56.91620	0.7
56.96553	0.6
57.52586	0.6
59.64069	0.6
67.05498	2.7
69.03418	2.4
69.07070	1.6
70.06580	1.3
70.28358	1.4
71.04991	18.3
75.73170	0.6
77.03939	0.7
79.05491	5.5
81.03410	2.4
81.07057	27.8
82.32823	0.7
83.04982	18.8
85.02910	6.5
86.09691	0.7
87.00826	2.2
91.05508	0.8
93.07032	1.3
95.04960	1.9
97.02873	3.9
97.06521	7.6
99.04431	1.0
100.11234	0.8
105.01870	4.7
107.08578	9.1
109.02866	1.3
109.06527	1.7
109.10164	8.6
113.06005	0.8
120.08117	1.3
121.06492	0.9
123.04411	2.6
123.08058	0.7
123.11713	10.7
127.03922	4.7
127.11180	12.5
131.07066	1.2
133.02827	1.7
133.10118	1.0
135.04436	1.0
139.03934	3.3
145.02884	1.3
145.04929	1.8
147.04385	1.0
149.44916	0.7
151.11169	10.1
159.07727	0.9
163.03944	2.2
166.08661	1.0
169.12238	100.0
170.12534	2.3
177.05548	2.0
190.40019	0.9
193.93350	0.8
200.61928	0.9
209.99272	0.8
223.10565	0.7
231.05005	0.8
237.00742	2.8
238.01077	2.5
249.06094	1.5
255.01717	1.7
265.03366	1.0
272.86356	0.7
291.08646	0.9
324.15646	0.8
336.52878	0.7
471.14246	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93821	0.2
55.05497	0.6
58.06601	1.4
63.02356	0.3
70.06597	1.3
72.08155	10.3
75.09249	1.2
76.90745	0.1
79.05473	0.7
79.10076	0.2
83.08657	0.2
84.08137	1.3
86.09686	0.5
89.03919	3.7
89.10791	0.2
93.73831	0.2
95.04965	0.3
95.29774	0.2
98.06051	0.2
100.11253	1.6
107.04968	1.3
111.04456	0.2
112.10479	0.3
112.11237	4.3
113.07134	0.2
117.03381	5.8
123.04483	0.2
124.82841	0.2
129.13879	2.5
133.60693	0.2
134.05962	0.2
135.04416	12.4
136.04758	0.3
145.02847	11.5
146.16516	1.8
147.04433	0.3
155.11784	1.0
159.09207	0.3
162.05545	0.4
163.03899	100.0
164.04239	2.0
169.12167	0.2
172.14432	0.4
176.87901	0.2
182.15459	0.4
183.15025	0.2
191.88919	0.2
203.57118	0.2
210.14922	0.5
219.11275	1.0
220.09686	50.8
221.09984	1.2
234.11240	5.2
235.11710	0.2
235.38474	0.2
237.12320	0.7
251.13947	0.3
258.63190	0.2
283.06067	0.2
290.18701	0.6
291.17001	3.5
308.19669	11.5
309.20010	0.4
355.76169	0.2
399.49667	0.2
452.21887	0.6
453.07962	0.6
453.20096	0.5
470.22864	72.0
471.09167	1.4
471.16537	0.3
471.23334	4.3
471.35291	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10711	2.6
69.11128	3.3
75.52776	0.8
79.05521	1.3
81.07088	0.9
91.05489	1.9
91.93384	0.8
92.00748	0.8
97.02801	0.9
100.11256	1.9
105.07049	3.2
117.93230	0.7
121.10095	0.8
125.06049	1.5
133.06494	4.6
137.05994	3.1
149.04778	1.8
149.06006	0.9
161.05986	36.4
162.06335	1.0
163.03967	1.2
164.07068	100.0
165.07352	1.9
178.08643	13.0
210.14922	1.0
216.04491	0.7
452.27835	1.1
470.23126	1.7
470.29169	3.1
470.37820	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	470.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27780	0.8
55.01875	24.7
55.02143	1.2
62.09843	0.9
65.00640	23.7
69.07048	1.5
71.67799	0.7
73.02918	32.8
73.84333	0.8
79.05512	1.2
81.07049	1.6
91.05495	0.8
95.08656	1.1
105.07046	2.2
107.08572	0.9
109.10132	0.8
119.01641	39.4
119.08595	0.9
120.20318	0.8
123.01118	2.5
125.06009	1.2
133.10175	1.5
136.03424	0.8
137.02679	100.0
147.11719	0.9
160.40294	0.9
161.09576	1.0
166.97534	1.2
175.11154	1.0
257.22675	1.0
285.22147	8.3
381.19006	0.8
421.23965	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1268
Annotation	Lysidicichin
Peak:m/z	Relative Intensity
57.61813	0.8
58.66055	0.9
71.45313	1.0
79.38386	0.8
89.82296	0.9
97.63257	0.9
116.90915	0.8
121.47966	0.9
146.44144	0.9
148.62135	0.9
182.41664	0.9
183.00230	1.0
252.25693	0.9
258.78571	0.9
259.81912	0.8
339.07529	1.3
371.68637	1.1
421.30197	0.9
471.12659	100.0
472.12711	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	471.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
55.01875	0.2
59.05002	0.2
61.02917	0.5
65.03939	0.5
69.03426	1.1
69.43345	0.7
74.69994	0.2
76.04063	0.2
80.84422	0.2
81.03413	0.9
85.02911	3.1
86.09716	0.4
91.05476	5.0
97.02886	2.4
99.04457	0.2
100.11257	0.3
109.02860	0.4
109.10146	0.2
119.04945	14.8
127.03911	0.7
129.10204	0.2
129.60986	0.2
133.47070	0.2
137.05981	2.0
145.04947	0.4
147.04405	100.0
148.04749	1.9
151.03902	0.2
165.05479	1.5
166.07249	0.2
182.15538	0.2
184.07437	0.3
201.05434	1.8
210.91176	0.2
223.13327	0.3
234.06757	0.5
235.07439	0.3
249.08952	0.3
255.33134	0.2
262.06296	0.7
267.75327	0.2
277.08514	0.7
279.06253	0.2
290.05771	1.0
291.08710	0.3
305.08102	2.0
309.09708	4.7
322.08347	0.3
325.10559	0.5
337.10724	3.0
355.11581	1.1
420.04083	0.2
453.34351	0.3
471.25397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19484	0.7
69.36500	3.8
69.36786	0.7
70.06590	10.4
78.75780	0.6
86.09690	5.1
91.05468	1.1
94.04180	1.3
94.74827	0.7
95.04942	0.7
100.07603	2.7
100.11244	1.8
110.03577	0.6
114.05442	0.7
122.03660	3.2
130.04141	1.0
137.05978	52.7
138.06329	1.1
145.06473	0.8
146.03659	1.2
147.04411	3.3
151.03918	2.4
158.03647	1.5
161.05966	4.6
162.06737	2.2
163.03900	1.3
173.06007	4.4
175.03893	0.7
178.07845	1.0
183.14926	2.3
186.03117	1.9
189.05504	0.8
189.07010	2.8
201.05460	53.1
202.05878	1.2
205.06511	3.9
206.07315	4.3
211.14403	2.2
213.05440	9.0
217.06525	2.5
218.07285	1.1
219.08058	1.0
220.05099	1.0
221.09627	0.9
222.06808	1.5
231.06526	3.2
233.05997	3.9
234.06761	14.8
235.07451	5.5
237.09128	1.8
238.09492	0.7
244.05179	1.1
245.05965	4.7
246.06743	1.0
247.07556	1.5
248.08252	1.8
249.09119	7.6
250.06264	2.6
251.07016	2.6
259.07623	1.6
261.05539	1.9
261.14417	2.1
261.88458	0.7
262.06235	18.9
262.08878	1.4
263.07077	3.8
264.07718	2.2
265.08597	6.3
266.09235	2.1
272.04675	1.1
273.05463	5.7
274.06079	2.0
275.06897	1.1
276.07770	2.0
277.08603	19.5
278.05658	1.3
278.09137	1.5
279.06451	3.3
279.09207	0.8
280.07309	0.8
287.07001	3.2
289.05029	1.4
290.05719	29.6
291.06183	3.0
291.09818	1.4
292.07172	2.9
292.28961	0.8
293.08087	5.2
294.08807	4.5
295.09628	3.1
304.07376	1.1
305.08069	56.2
306.08594	3.7
307.05963	3.5
307.09647	6.2
309.11139	4.0
319.09750	5.1
322.08252	5.0
325.10657	13.0
337.10687	100.0
338.11008	5.2
342.13391	0.9
355.11737	73.5
356.12042	4.0
387.03748	0.8
454.18594	7.0
456.97366	0.9
471.14938	1.1
471.22171	2.6
471.35278	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.4
66.22675	0.8
69.89618	0.9
71.21759	1.1
75.40022	0.9
82.94473	0.7
84.67280	0.8
88.57275	1.0
91.05494	1.6
94.04182	1.6
100.07623	5.7
100.11259	2.8
104.10464	0.9
109.06569	0.9
119.04917	2.0
120.58607	0.8
122.03651	3.9
130.04201	1.5
133.06506	0.9
137.05974	66.4
138.06396	1.2
146.03645	1.0
147.04419	3.8
151.03906	5.8
158.03665	2.8
161.05992	7.2
162.06764	3.1
173.06000	5.1
177.07056	1.9
178.07787	1.2
182.15422	1.1
185.05928	1.0
186.03143	3.0
189.06998	2.2
201.05463	59.9
202.05841	1.5
205.06523	4.2
206.07304	5.0
209.16513	1.1
213.05444	8.8
217.06505	3.4
218.07278	2.4
219.08022	1.6
220.05226	1.5
221.05984	1.1
222.06750	2.2
223.27637	0.8
231.06441	5.0
233.05904	7.1
234.06740	18.4
235.07503	5.6
237.09093	2.9
245.05963	4.2
246.06761	2.6
247.07491	2.2
248.08427	1.5
249.09157	7.0
250.06244	3.1
251.07040	3.6
259.07584	2.1
261.05524	3.4
262.06268	22.4
263.06949	5.3
264.07803	1.7
265.08572	8.0
266.09412	2.4
273.05423	6.6
274.06128	2.1
276.07776	3.1
277.05447	1.5
277.08569	26.9
278.05630	2.4
278.09225	2.3
279.06500	3.1
279.09833	1.4
287.07040	3.2
289.05020	1.9
290.05722	35.8
291.06360	2.6
291.10107	1.8
292.07272	5.9
293.08063	9.7
294.08835	3.8
295.09818	4.6
297.11264	2.3
304.07401	2.9
305.08066	61.4
306.08682	4.2
307.05957	2.8
307.09479	14.5
309.11240	5.2
310.08405	1.2
319.09662	5.6
321.07690	1.4
322.08356	7.5
325.10690	39.7
337.10696	100.0
338.11026	3.7
338.14987	0.9
342.13440	1.4
355.11755	57.1
356.11884	2.0
412.17462	2.4
424.17548	18.4
441.20209	14.8
452.48499	0.8
453.20355	1.1
454.18686	4.7
471.21423	25.2
471.35056	4.9
472.21548	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78718	0.7
86.09724	0.8
89.03912	6.9
89.40908	0.7
91.05470	1.4
106.99703	0.7
117.03387	21.7
119.11805	1.9
134.03624	1.0
135.04453	1.2
137.05981	0.9
145.02855	57.3
146.03271	1.2
147.04416	3.1
149.05984	8.6
157.82086	0.8
163.03932	1.8
177.05475	100.0
178.05865	2.7
248.12874	9.3
260.12808	4.2
277.15488	23.8
278.15878	0.8
295.16528	11.5
305.08081	1.2
327.18045	0.8
337.10770	1.6
453.20215	13.0
471.09033	1.8
471.20273	1.3
471.25891	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	471.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26361	1.2
55.05523	1.2
55.32590	1.2
58.40164	1.1
65.16206	1.4
70.16557	2.3
70.16922	2.6
72.08158	4.7
79.05515	1.2
82.06593	2.8
84.04520	1.1
86.09687	1.3
93.69997	1.4
98.06094	1.5
100.11243	1.4
115.08703	2.4
117.62190	1.0
121.06464	1.3
137.05933	2.1
169.56207	1.1
177.05418	1.9
178.07803	1.4
189.06981	1.9
198.54463	1.3
202.07825	1.9
204.05669	1.3
205.06450	2.9
206.07249	4.0
217.06413	2.1
218.07315	1.7
219.08072	2.3
231.07999	1.5
232.05193	3.0
233.05748	2.1
234.06735	14.4
244.05222	4.5
245.06013	2.4
246.06830	3.6
247.07573	3.4
248.08272	1.5
249.09026	2.0
259.07675	1.5
260.04767	8.5
261.05411	2.7
261.09033	1.3
262.06329	17.4
272.04739	3.8
273.05356	2.4
274.06314	6.3
275.07004	27.8
276.07672	3.9
277.08624	15.4
287.07022	27.0
288.04340	1.9
288.07706	1.6
289.04993	1.4
290.05710	31.1
291.06372	3.5
302.05649	1.6
303.03369	1.8
303.06512	47.5
303.09991	2.7
304.07135	7.1
305.08081	29.5
306.08578	2.8
315.06467	7.8
318.05176	10.5
319.05923	3.1
333.07578	88.2
334.08063	9.6
335.09137	18.2
337.10712	4.0
353.09940	2.0
365.10217	100.0
366.10519	3.5
367.11765	4.1
383.11252	5.1
424.17615	3.4
453.14481	1.9
453.20264	25.9
454.18698	4.8
471.15320	2.0
471.21448	17.2
472.21698	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48674	0.7
54.02584	0.7
54.75232	0.7
55.05514	1.2
55.85967	0.6
67.05504	1.5
69.03419	1.3
69.07082	1.6
69.99139	1.3
69.99486	1.4
71.10326	0.8
72.05939	0.7
79.05492	1.0
81.03417	1.3
81.07057	3.0
84.04500	1.7
85.02918	3.8
87.00858	1.4
89.25793	0.7
93.07072	1.2
95.04932	0.6
95.08603	1.8
97.02899	1.5
105.01872	1.2
105.03392	1.9
105.07034	1.3
107.08589	1.6
109.02906	1.0
109.10149	2.3
116.14529	0.7
119.08600	0.9
121.10168	1.5
127.03937	2.7
130.04968	0.9
133.10175	1.5
145.04988	2.0
145.10135	0.7
148.06107	1.2
149.13242	0.8
150.13538	0.9
188.40846	0.6
203.05287	0.9
223.16870	5.9
275.07431	1.3
318.03262	0.7
333.03879	1.5
333.07913	30.6
334.08054	1.1
335.09482	17.8
471.21979	100.0
472.21930	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	471.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.4
56.07728	0.4
56.08031	0.3
63.22445	0.3
67.05504	0.6
69.07060	0.6
69.13818	2.5
80.28506	0.4
81.07031	1.4
83.08601	0.4
84.04454	0.3
90.59116	0.3
93.07014	0.6
95.08607	0.8
100.11226	0.8
105.07047	0.4
108.34159	0.3
121.10101	0.5
127.03810	0.4
144.47586	0.4
145.02773	0.4
145.88609	0.4
155.03148	0.6
162.06848	0.3
165.12781	0.4
201.03763	1.0
203.05243	1.5
218.87767	0.4
227.61661	0.3
275.07278	1.9
333.07910	51.5
334.08246	1.5
335.09473	24.1
336.09863	0.5
471.21997	100.0
472.22269	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	471.2204
Annotation	Leu Ser His Asp
Peak:m/z	Relative Intensity
50.19373	0.3
65.78118	0.3
67.50781	0.3
69.07062	0.9
70.29095	0.6
81.07042	0.9
93.07024	0.3
95.08628	0.3
128.10718	0.5
137.06001	0.5
158.06734	0.3
161.05920	0.8
162.06378	0.6
164.07057	8.1
165.07393	3.1
196.13341	0.4
201.03792	0.5
203.05275	0.8
208.90126	0.4
215.05464	0.4
234.07748	0.4
274.15179	0.5
275.07349	1.1
317.08295	0.5
333.07907	3.2
335.09457	9.1
339.17715	1.8
377.63718	0.4
471.22000	100.0
472.22318	5.9
494.47943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.01850	0.9
55.05511	14.1
56.67477	0.7
57.03441	9.2
57.07066	2.0
65.03928	1.2
67.05506	26.8
69.07070	17.8
70.96940	1.4
71.04980	0.9
71.08619	1.1
79.05499	7.9
81.07059	29.6
83.04999	0.9
83.08620	7.5
85.06550	0.7
91.05461	5.2
93.07035	6.5
95.04967	1.0
95.08606	21.6
97.06529	1.9
97.10164	2.9
105.07030	3.2
107.08601	3.7
109.10158	6.1
119.08593	3.9
121.10156	3.0
123.11715	2.2
133.10135	2.4
134.98186	100.0
135.11710	0.9
147.11670	1.7
152.99326	0.7
175.14926	0.8
176.00839	1.8
209.01877	2.0
224.88332	0.7
242.43634	0.7
255.28065	0.7
337.27359	33.9
338.27704	1.7
359.25577	13.1
471.24860	71.2
472.25241	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	471.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01525	1.2
55.05517	6.3
57.03432	4.3
67.05509	14.0
69.07076	10.5
79.05492	5.3
81.07053	13.8
83.08622	3.8
91.05489	3.9
93.07052	4.5
95.08620	10.1
105.07040	1.7
107.08589	2.1
109.10165	4.0
117.37460	1.3
121.10178	1.7
123.11707	1.5
129.83942	1.3
133.10085	1.6
134.98189	44.7
152.76793	1.2
157.37152	1.4
159.10019	1.6
203.97884	1.2
337.27353	15.1
359.25473	4.7
408.38632	1.4
471.25052	100.0
472.25507	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	471.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05268	0.7
55.05514	13.3
57.03211	0.7
57.03441	6.0
57.07065	2.3
67.05505	26.1
69.06712	0.9
69.07066	16.7
71.04991	0.8
71.08625	1.1
72.51498	0.6
79.05490	7.4
81.07059	25.3
83.08620	5.8
91.05485	5.1
93.07058	7.9
95.04979	0.6
95.08607	20.5
97.06542	2.0
97.10162	2.7
105.07037	4.5
107.08602	4.5
109.10166	6.6
119.08615	3.0
121.10140	2.7
123.11693	2.3
133.10138	3.3
134.98190	100.0
135.11690	1.7
144.65594	0.7
147.11670	1.7
161.13272	1.6
176.00850	2.2
209.01918	1.7
221.00609	0.6
222.66066	0.6
242.47209	0.6
245.22763	0.8
330.78177	0.8
337.27365	36.7
338.27579	1.1
340.68695	0.7
355.22327	0.7
359.25549	14.4
360.25958	0.9
471.24838	78.7
472.25113	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38494	0.5
55.05506	3.1
57.03431	1.7
57.07092	0.6
67.05506	9.1
68.66777	0.7
69.07071	4.4
79.05494	2.0
81.07053	8.4
83.04990	0.6
83.08616	2.6
87.96868	0.6
88.16682	0.6
91.05486	1.7
93.07050	2.3
95.04989	0.6
95.08607	5.8
105.07052	1.4
107.08580	1.6
109.10188	1.9
119.08600	1.4
121.10130	1.4
123.11733	1.0
129.83488	0.8
131.08498	0.7
133.10182	0.7
134.98181	17.1
135.11728	0.9
145.10063	0.6
147.11682	1.1
161.13327	0.8
176.99321	1.1
209.01982	3.0
209.03746	0.7
257.11200	0.6
271.23358	0.9
337.27295	5.1
359.25629	1.0
377.26642	1.8
439.22272	1.8
453.23840	2.7
471.24838	100.0
471.34378	4.2
472.25336	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01525	1.2
55.05517	6.3
57.03432	4.3
67.05509	14.0
69.07076	10.5
79.05492	5.3
81.07053	13.8
83.08622	3.8
91.05489	3.9
93.07052	4.5
95.08620	10.1
105.07040	1.7
107.08589	2.1
109.10165	4.0
117.37460	1.3
121.10178	1.7
123.11707	1.5
129.83942	1.3
133.10085	1.6
134.98189	44.7
152.76793	1.2
157.37152	1.4
159.10019	1.6
203.97884	1.2
337.27353	15.1
359.25473	4.7
408.38632	1.4
471.25052	100.0
472.25507	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	472.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.8
55.01871	11.1
55.57478	1.1
57.03435	6.2
61.02946	6.0
67.05498	1.7
68.99799	4.3
69.00167	1.4
69.03432	30.8
69.07085	1.1
70.06579	4.9
71.05000	4.9
73.02921	10.6
79.05480	2.8
81.03420	34.7
81.03902	2.0
81.07059	3.1
83.01361	1.5
83.05001	2.3
83.08659	1.3
85.02905	100.0
85.06541	3.5
87.00834	40.8
87.04482	1.2
89.64706	1.1
91.03940	2.4
91.05476	1.6
93.07034	2.6
93.99067	1.4
95.04986	3.8
95.08634	1.9
97.02893	62.3
97.06503	1.5
98.97600	1.7
99.04461	18.7
105.01871	65.1
105.03391	21.3
105.07056	1.9
107.08617	1.9
108.04498	1.9
109.02882	38.4
109.10151	2.0
111.04445	1.9
117.01875	6.3
119.08611	1.6
123.04446	4.9
127.03917	99.2
128.04352	1.3
129.01865	4.5
145.04962	59.7
145.44623	1.1
147.02885	3.5
159.02881	25.8
177.03909	1.9
183.03014	1.7
188.07126	1.6
189.04004	3.2
189.09122	5.1
189.12794	1.4
190.08571	2.0
193.08643	2.6
211.09615	2.8
213.03995	5.8
231.04973	29.5
249.06111	8.9
250.13522	1.3
315.10696	2.8
333.07831	1.5
334.08157	2.5
472.21173	10.5
472.27194	6.5
473.27335	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	472.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	9.5
57.03438	4.5
57.07068	5.5
62.63614	1.8
65.60838	2.4
67.05523	10.2
69.07076	34.7
73.02905	2.0
78.87998	1.8
79.05500	37.7
81.07063	46.2
83.08632	12.7
91.05494	16.3
93.07060	21.4
95.05032	2.5
95.08617	22.7
97.06532	11.6
97.10184	4.5
98.98470	9.0
102.69010	1.7
105.07024	25.1
107.04960	9.3
107.08624	14.8
109.06535	3.3
109.10159	10.2
111.11738	4.1
115.05456	2.0
119.08572	12.9
121.10159	7.3
123.11724	5.9
125.06001	100.0
125.13290	6.1
131.08560	6.3
133.06534	3.5
133.10124	29.8
135.01112	8.0
135.11678	3.8
135.15790	2.0
137.00002	5.2
137.05971	9.7
137.13239	3.8
139.07529	2.5
143.08569	5.2
145.10170	9.1
147.08052	4.8
147.11674	13.3
149.13252	3.3
151.07527	5.5
151.11227	2.0
151.14819	2.7
153.02180	5.6
155.01019	4.4
157.10156	2.6
159.11717	7.0
161.09624	60.2
161.13284	6.4
162.09990	2.5
165.09103	3.6
170.04814	2.9
171.11742	2.6
173.13313	3.4
175.11195	32.8
175.14832	5.9
177.09116	3.4
177.16402	2.7
179.10658	28.7
185.13266	2.6
187.14844	4.6
189.12720	2.9
191.10625	2.6
193.12276	16.3
201.16460	3.6
203.14328	16.9
207.13849	4.3
219.13843	6.8
221.15376	33.5
229.15947	5.8
233.15381	6.9
247.16916	6.9
257.22672	13.5
267.21149	8.1
285.22156	58.2
303.23160	18.9
326.88635	2.2
363.51004	1.9
472.26422	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05514	6.5
57.07085	3.1
59.42809	1.6
67.05504	5.4
69.07069	5.6
79.05505	27.5
81.07060	97.0
83.04996	2.7
83.08624	10.3
85.45895	1.5
86.85102	1.6
91.05482	8.4
93.07050	13.8
95.04970	2.0
95.08620	14.6
97.06528	8.8
105.04498	2.5
105.07036	15.5
107.05016	2.9
107.08614	11.2
109.06541	3.4
109.10175	12.5
109.70472	1.5
111.04346	1.9
117.07069	2.4
119.08593	15.3
121.10141	10.4
123.11711	4.6
125.05997	69.9
131.08600	5.5
133.06548	1.9
133.10143	11.1
135.11722	4.7
137.05957	10.6
143.08589	3.7
145.10138	11.9
147.08052	2.5
147.11700	6.7
149.13301	6.3
151.07552	4.7
157.10074	3.8
159.11723	7.9
161.09639	2.6
161.13220	3.8
163.14792	2.2
165.09154	2.3
171.11729	2.1
173.13310	5.0
175.14812	13.5
177.09096	1.9
177.16429	3.7
185.13248	8.2
187.14851	2.4
190.99614	1.7
199.14842	4.7
201.12761	3.8
203.14314	32.6
204.14610	2.1
205.12263	2.0
219.13824	12.5
221.15392	53.2
229.19453	7.4
231.13629	2.0
245.15424	3.4
255.21045	14.5
273.22186	4.2
283.20572	6.4
301.21622	100.0
302.21954	5.9
319.22818	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	472.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.3
56.96534	1.6
57.03185	0.7
57.03432	6.9
57.07066	1.2
58.06602	28.9
59.07384	9.4
60.08163	7.8
67.05500	3.9
69.07061	5.3
71.08614	1.0
73.02905	0.9
75.04478	4.1
79.05479	1.6
81.07053	4.4
83.08588	2.4
85.02885	1.5
85.10184	0.6
85.17480	0.5
87.04477	4.8
93.07017	2.8
95.08614	3.3
97.06513	0.8
97.10126	1.6
100.11233	0.7
103.03952	0.9
105.05527	0.8
107.08560	1.7
109.10143	1.5
110.97518	0.5
118.92039	0.8
121.10107	1.5
123.11660	0.6
128.98582	0.8
131.07011	1.8
135.11661	0.8
136.93092	3.7
136.93983	1.0
144.10207	9.0
154.94171	7.7
155.11723	0.6
157.34607	0.5
162.11255	4.2
172.95235	9.2
186.43498	0.6
190.96184	2.6
192.95743	0.5
195.96848	0.7
210.96822	1.6
220.49626	0.6
228.97838	3.4
229.98056	0.8
236.14920	100.0
237.15312	2.3
255.24503	0.6
317.17938	1.7
318.18268	5.6
319.18536	0.6
335.18765	0.8
336.19211	2.2
336.26056	0.6
343.28421	1.8
359.20804	0.7
398.14697	0.8
399.30963	1.1
435.28577	0.6
454.17438	5.9
454.35260	22.3
455.17120	0.8
455.35498	0.8
472.18625	12.0
472.36301	71.6
473.18430	0.8
473.36578	5.0
495.20181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78607	0.5
55.05511	5.2
57.03432	6.0
57.07065	1.4
58.06603	33.5
59.04976	0.7
59.07109	0.6
59.07385	11.3
60.04511	1.4
60.08167	11.4
64.88859	0.5
67.05502	4.2
69.07070	5.5
69.21966	1.2
69.22368	2.8
71.08604	0.6
75.04485	3.2
79.05479	2.6
81.06644	0.6
81.07066	4.5
83.04942	0.5
83.08627	3.0
84.08148	0.7
85.02908	2.8
87.04478	4.7
93.07040	2.7
95.08592	3.3
97.06538	0.9
97.10178	1.7
98.22683	1.2
100.11241	0.8
103.03912	0.8
105.05486	1.3
107.08582	1.4
109.10148	1.3
113.05984	1.1
119.08569	0.7
121.10116	1.6
123.11684	0.6
130.08614	0.7
131.07028	1.6
135.11679	1.0
144.10208	9.8
154.94138	0.6
162.11261	3.0
172.95351	0.6
200.12714	0.6
215.65401	0.5
218.13857	0.6
228.97748	0.6
235.29469	0.5
236.14929	100.0
237.15245	2.1
239.15309	0.6
311.25760	1.2
367.28418	0.7
410.36182	1.3
433.82413	0.5
454.35281	23.7
455.35385	1.4
469.37033	0.6
472.18271	1.5
472.36307	97.5
473.30331	0.9
473.36533	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	473.1424
Annotation	Erlangerin D
Peak:m/z	Relative Intensity
69.40533	5.7
70.06603	2.1
83.56722	1.4
86.04775	1.2
86.09721	3.6
98.22746	2.0
100.11268	3.9
106.57440	1.3
122.61621	1.4
135.88203	1.5
147.04427	1.4
151.03960	1.5
163.48499	1.4
177.05534	2.0
207.13750	1.5
210.14923	1.5
246.05011	8.7
353.10379	1.5
371.11273	1.3
398.86768	1.3
473.14212	100.0
473.20273	4.3
473.34885	11.4
473.84399	2.9
474.14523	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	473.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63878	1.1
53.03939	3.7
55.01872	3.7
55.05511	4.9
55.86895	1.0
57.03424	2.3
57.07070	3.2
59.04998	5.7
61.02918	3.4
63.02927	1.2
67.05500	4.5
68.99811	2.7
69.03429	17.7
69.07056	5.1
69.16758	7.0
70.06589	3.9
71.04999	10.5
73.02911	2.3
77.46311	1.1
79.05491	9.9
81.03412	12.1
81.07056	17.3
83.04958	7.3
83.08604	4.1
84.86216	1.0
85.02905	34.6
85.06551	4.3
86.09683	2.8
87.00833	13.1
87.04471	8.5
91.05478	10.3
93.07059	9.8
95.04967	11.6
95.08607	13.4
97.02888	12.0
97.06523	11.2
98.22697	2.0
99.04452	9.1
99.08099	4.2
101.06000	1.6
105.01875	10.4
105.07024	18.2
107.04906	1.7
107.08595	72.7
108.08932	1.2
109.02876	14.8
109.06519	89.9
109.10190	2.5
110.06821	1.6
111.04468	1.3
111.08082	3.8
111.11697	1.6
113.06001	1.2
113.09637	1.3
117.07018	1.4
119.06072	1.4
119.08592	14.4
121.06535	1.8
121.10149	44.7
123.04388	2.0
123.08070	100.0
123.11705	17.2
124.08360	1.3
125.05978	6.2
125.09632	15.6
127.03916	20.9
127.07571	2.1
128.10742	1.0
129.01907	1.1
131.08585	10.6
132.05730	1.4
133.06491	1.8
133.07536	1.1
133.10152	1.7
135.08107	1.4
135.11690	8.6
137.05949	5.5
137.09618	4.2
137.13234	10.0
139.11197	11.4
142.82591	1.0
143.08569	2.2
145.04941	5.1
145.10141	9.9
147.02922	1.0
147.07988	1.6
147.11676	46.5
148.11998	1.6
149.09619	92.5
150.09972	2.5
151.07556	24.6
155.10710	3.5
156.09357	5.7
159.02899	3.5
159.11711	1.5
161.09633	1.8
161.13281	3.2
163.11150	6.6
165.09167	3.0
165.12747	22.9
167.10683	25.7
171.11694	8.8
173.09584	1.2
179.14296	28.0
181.12204	1.6
183.13789	6.3
189.12756	23.2
191.07083	1.5
191.10599	1.7
192.07852	5.4
201.05473	5.2
207.13803	86.9
208.14159	3.1
225.14861	25.4
231.04955	2.2
234.06693	1.1
249.09096	1.3
249.14894	2.9
262.06268	1.7
265.08643	1.4
277.08557	2.6
290.05771	3.0
305.08075	4.4
337.10709	10.7
355.11752	4.1
371.11136	1.8
437.18274	1.7
455.21603	2.4
468.05289	1.0
473.23615	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	473.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26627	1.1
53.03959	2.1
54.87747	1.0
55.01880	1.5
55.05509	4.1
57.03428	1.6
57.07076	4.0
57.46339	1.0
65.03936	1.6
67.05509	23.1
69.03436	6.5
69.07071	2.0
69.18541	3.8
69.18948	3.6
71.04993	1.7
76.75373	1.1
79.05489	3.2
81.03412	3.4
81.07061	3.3
83.04975	2.3
85.02908	15.4
85.06551	14.0
86.69027	1.1
87.00836	7.5
91.05489	3.7
93.07058	7.1
95.04961	2.8
95.08613	100.0
96.08971	2.6
97.02906	3.8
105.01875	10.1
105.07016	6.6
107.08613	10.4
109.02895	3.7
109.06564	3.2
109.10165	3.2
113.06007	12.8
119.08587	19.4
121.06518	3.0
121.10181	6.8
123.08074	30.9
127.03905	9.8
131.08575	2.0
133.06548	1.4
133.10165	2.8
135.08031	1.4
135.11696	16.4
137.09631	15.0
145.04938	4.4
145.10104	1.4
147.08076	1.9
147.11690	7.0
149.09625	42.0
151.07602	2.2
151.14838	4.7
159.08044	1.0
161.09639	1.3
161.13272	14.2
163.11247	8.4
165.09091	1.2
165.12773	7.7
171.11703	2.2
174.10408	2.6
179.14326	3.6
189.12755	22.2
207.13815	78.5
208.14122	4.0
231.04900	1.5
243.65544	1.4
297.86514	1.1
443.01370	1.3
473.19983	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	473.202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
55.01885	1.6
55.05521	3.3
57.03418	0.9
57.07078	3.1
61.02916	2.4
65.03957	1.4
67.05504	23.6
69.03419	5.5
69.07063	2.1
70.06590	1.7
70.64404	1.6
71.04988	1.7
72.08160	2.4
79.05504	2.5
81.03432	3.6
81.07077	2.9
83.04993	2.1
85.02912	9.7
85.06544	12.1
86.09711	4.3
87.00819	5.9
87.04472	1.2
90.46298	1.1
91.05477	5.1
93.07047	8.1
95.04981	2.9
95.08606	100.0
96.08950	2.3
97.02887	3.9
99.04439	1.2
102.09203	1.2
105.01868	8.7
105.07037	6.0
107.08607	9.8
109.02891	3.0
109.06515	3.0
109.10156	2.2
113.06010	12.4
119.08594	15.6
121.10153	7.1
123.08072	32.7
123.11751	2.4
127.03934	5.0
131.08556	2.7
133.06516	1.0
133.10161	2.3
135.08069	1.2
135.11688	13.9
137.05962	10.4
137.09631	6.1
137.13333	1.2
145.02895	2.6
145.04994	1.6
147.03065	1.0
147.04343	1.5
147.11699	5.6
149.09616	29.1
151.03940	5.4
151.05014	1.4
151.07573	2.5
151.14873	4.7
161.13242	11.1
162.06734	1.0
163.11171	8.6
165.12779	6.7
169.56044	1.1
171.11732	3.1
173.05946	2.1
174.10440	1.2
175.03926	1.6
177.05475	4.3
179.14326	3.1
189.06992	1.2
189.12727	16.8
201.05450	14.7
207.13803	68.6
208.14200	2.8
213.05519	2.3
225.14821	2.6
233.05975	1.3
234.06743	4.0
245.06003	1.4
247.07625	1.5
249.09145	1.8
262.06223	4.1
263.06940	2.1
265.08762	1.7
277.08679	4.9
289.04730	1.2
290.05695	7.5
293.08142	2.3
294.09103	1.4
305.08072	13.8
307.09653	4.0
319.09857	1.7
320.06888	1.1
325.10742	4.2
335.09323	2.2
337.10672	19.7
355.11557	6.1
367.11633	3.0
371.11246	3.4
375.49567	1.1
424.35352	1.3
425.20944	1.5
443.21805	12.3
455.21753	2.9
473.19778	13.6
474.18018	1.3
491.00455	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52985	0.5
64.69262	0.5
69.82349	1.0
69.82710	1.1
70.06583	1.1
71.04974	0.8
76.37552	0.5
82.06570	0.8
84.08120	1.0
89.03919	3.8
96.92802	0.6
98.23456	0.8
99.09151	0.5
100.07605	3.3
117.03379	13.8
117.10252	2.0
118.03771	0.5
118.08641	1.4
121.06470	0.5
134.03650	1.3
135.04434	0.7
135.11263	1.9
145.02846	53.1
146.03183	1.3
149.06001	5.8
171.99632	0.5
173.88620	0.6
177.05472	100.0
178.05821	2.6
276.12402	2.6
293.14957	6.5
311.16016	5.8
337.78397	0.5
339.10577	0.8
452.25870	0.6
455.20300	11.8
473.21347	18.7
474.21375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.14199	1.4
66.51169	1.5
67.05488	1.8
70.06587	2.0
70.08309	4.1
72.08188	2.0
76.10931	1.5
81.07057	2.6
85.02914	2.0
86.09723	3.4
91.05492	1.5
95.04981	2.0
95.08639	4.3
98.23459	1.7
107.04953	4.6
109.06574	1.5
115.05462	1.6
115.08701	1.5
119.08620	1.9
122.03671	2.6
123.04430	1.8
124.05209	1.7
131.04971	1.8
132.05742	1.7
133.06407	1.5
137.05978	36.6
140.04657	1.9
145.06537	2.3
147.04498	2.9
151.03944	3.8
155.07040	3.7
158.03673	2.6
161.06036	3.1
167.07048	28.6
170.03621	2.3
173.05980	8.2
186.03130	3.9
189.06873	2.9
189.12779	1.8
191.06976	2.8
192.07935	2.3
198.03241	2.2
201.05464	94.9
205.06532	6.1
206.07297	3.6
207.13809	5.2
213.05481	26.9
217.06519	2.1
218.07341	2.0
219.08099	5.7
220.05225	1.7
221.06039	1.8
225.14923	2.1
231.06494	21.1
233.06026	2.6
234.06732	10.4
235.07460	7.6
236.08345	2.5
237.09084	1.9
245.05978	4.5
246.06744	2.6
247.07600	4.6
248.08311	2.4
249.05458	3.0
249.09164	6.1
250.06166	2.4
251.07051	3.1
257.06107	1.9
259.07867	1.6
260.04788	3.9
261.05481	3.4
262.06308	11.2
263.07047	8.6
264.07788	7.8
265.08655	4.3
273.05508	3.8
274.06247	5.1
275.07092	7.3
276.07858	2.5
277.05035	6.4
277.08578	14.8
279.06558	1.6
279.10364	1.7
288.04129	2.9
289.04980	3.3
289.08441	3.0
290.05746	21.1
291.06506	5.0
292.07346	11.6
293.07993	5.5
294.08698	3.6
295.09641	4.2
302.05878	4.4
303.06500	21.9
304.07373	4.8
305.04520	6.5
305.08005	39.7
306.08649	2.7
307.06165	3.2
307.09732	10.1
309.07730	1.9
309.11237	3.4
317.08197	2.8
319.09634	4.4
320.06787	17.1
322.08264	3.9
323.09265	3.4
325.10666	9.1
335.09137	41.2
336.09793	2.5
337.10696	81.2
338.11026	3.1
352.09363	1.6
355.11786	42.9
356.12094	1.7
367.11798	100.0
368.12192	4.6
385.12790	30.1
413.88184	1.6
426.19025	1.5
443.21729	5.8
455.21799	15.2
473.22028	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	473.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.35238	5.5
70.95924	8.8
77.60297	5.4
80.92713	5.5
82.83556	6.9
84.08125	7.0
86.09714	25.4
96.26369	5.6
100.11279	6.5
102.75346	5.6
104.04150	5.2
116.19348	5.6
117.03403	7.9
119.11809	6.0
125.06060	6.2
137.05980	68.1
145.02869	28.3
147.04433	22.4
151.03888	54.6
161.06042	7.1
173.06009	6.2
177.05484	31.1
181.04961	15.4
195.06596	10.3
201.05501	73.6
213.05389	8.3
231.06462	13.2
234.06786	12.5
235.07574	9.3
250.06102	8.1
262.06305	16.9
263.07248	8.1
265.08505	13.8
274.06158	7.9
274.97537	9.1
277.08582	27.1
287.06937	6.9
290.05701	44.7
292.07370	10.7
293.08105	8.2
305.08063	70.4
307.06055	7.6
307.09674	19.0
319.09717	8.8
322.08386	6.9
325.10712	35.1
337.10687	100.0
339.08606	15.8
355.11612	32.3
367.11752	10.5
371.11230	39.1
423.20740	6.9
425.20425	14.4
443.21832	67.8
455.21808	19.8
473.14038	27.1
473.23163	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03234	0.4
57.03440	5.2
61.02924	1.0
64.79021	0.5
65.69491	0.5
66.55867	0.5
69.03111	0.4
69.03432	3.3
69.34649	0.4
70.06609	0.7
71.43688	0.4
72.08130	0.6
73.02922	11.6
79.05469	0.5
85.02916	4.5
86.09677	1.1
91.05524	0.6
95.04963	0.8
97.02879	4.7
102.05568	0.5
107.04955	36.6
108.05296	0.6
109.02931	0.8
115.03942	4.7
115.05475	1.2
117.03386	1.1
117.07011	2.9
121.02860	1.6
127.03914	1.4
127.05521	0.8
133.04939	1.2
135.08063	14.1
145.02849	3.8
145.05005	0.8
145.06476	5.1
149.05991	0.8
150.07658	0.5
155.06068	1.5
163.07542	100.0
164.07904	1.8
177.05484	4.7
259.07971	0.6
295.10355	1.3
370.92377	0.5
475.24579	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
62.04004	6.2
69.40065	34.7
98.22695	6.9
100.14975	6.2
110.28936	6.9
133.10124	21.7
191.07112	9.5
191.14346	19.0
191.47813	7.5
209.15233	7.3
314.67163	6.5
379.08081	13.4
474.27612	12.6
474.33167	9.4
475.22052	8.4
475.32770	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18459	1.5
54.65537	1.3
67.05491	5.3
69.03431	2.4
69.07088	1.7
69.83148	4.1
71.04636	2.3
71.04994	29.4
79.05511	2.0
79.14870	1.6
81.07053	3.6
85.02899	1.4
85.06537	3.5
91.05463	3.5
91.91284	1.3
93.07024	2.3
95.04989	3.8
95.08581	6.3
97.06557	1.7
98.23364	1.9
102.56606	1.3
105.01888	2.1
105.07052	8.9
107.08581	3.3
109.06533	15.8
109.10166	9.4
119.08573	2.4
121.06551	2.2
121.10152	17.5
123.08070	100.0
127.03908	2.0
131.08563	17.2
133.10132	13.3
135.08054	11.8
143.08568	1.8
145.04964	1.8
145.10153	3.5
149.09604	2.4
149.13248	2.6
158.10890	2.8
173.13258	29.5
191.14302	84.1
192.14706	3.0
209.15379	2.5
222.51572	1.3
231.04901	1.5
284.09912	1.4
299.36743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05534	6.7
61.60664	5.3
67.05507	12.5
70.86494	7.4
71.04992	20.1
79.05509	12.0
81.03429	7.4
81.07110	5.9
85.02901	16.6
85.06551	57.4
86.09689	9.6
91.05483	7.7
93.07048	14.4
97.06543	6.8
101.90015	5.9
105.01888	18.4
105.07053	14.1
107.08592	39.9
109.06519	39.0
109.10144	23.0
111.08094	10.5
119.08623	11.1
121.10155	22.3
123.08080	16.9
127.03903	10.9
131.08553	9.6
133.10133	22.5
135.08043	31.5
145.04893	9.3
145.10118	6.4
147.11615	8.4
149.13289	9.6
173.13245	43.7
191.14308	100.0
209.15381	22.8
273.17978	5.7
340.43661	5.7
367.11877	9.1
473.84164	11.1
474.27457	22.3
474.33633	12.3
475.33041	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	474.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01868	1.8
55.05523	1.1
57.03433	1.5
57.07071	0.9
59.04989	0.9
61.02918	1.1
61.35257	0.6
65.03952	0.8
67.05498	2.5
69.03429	4.3
69.38225	2.5
71.04988	3.7
73.02902	1.4
79.05496	1.7
81.03407	4.0
81.07038	2.2
83.03274	0.7
85.02901	12.0
85.06525	2.7
87.00832	4.8
91.05483	4.7
93.07038	3.6
95.04961	2.9
95.08601	3.8
97.02910	3.5
97.06540	2.7
99.04455	2.4
105.01875	5.3
105.07027	11.5
107.08592	6.7
109.02869	4.3
109.06519	47.1
109.10157	12.6
110.06907	1.4
110.29526	0.6
111.08109	1.0
117.01854	0.7
117.07011	2.2
119.08582	5.8
121.06496	1.0
121.10140	3.3
123.08069	5.7
127.03902	7.5
129.01843	0.8
130.79494	0.6
131.08566	23.0
133.10133	57.3
134.10416	1.3
135.08052	21.2
135.11691	1.5
143.08557	1.1
144.09395	0.9
145.04936	3.3
145.10124	4.4
147.11685	5.2
149.09624	2.5
149.13268	2.2
153.09106	2.9
158.10933	4.1
159.02887	3.1
163.14793	1.1
166.66275	0.6
173.13269	41.0
174.13603	1.0
175.14793	2.3
191.14310	100.0
192.14673	2.4
209.15372	36.9
210.15633	1.8
210.24191	0.7
231.05014	1.4
248.47093	0.6
311.13797	0.8
469.07257	0.7
475.16290	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.0
55.05503	1.9
57.07069	2.7
57.27006	1.7
67.05493	5.9
69.03414	4.7
69.07054	2.2
69.57382	6.9
71.04983	6.0
73.21081	1.6
79.05504	4.9
81.03413	4.8
81.07050	5.8
83.04976	2.1
85.02899	8.4
87.00803	4.3
88.86981	1.7
91.05489	5.7
93.07039	4.8
95.04962	5.6
95.08610	6.5
97.02902	3.2
97.06493	2.6
98.22670	1.7
102.48067	1.8
105.01836	3.3
105.07051	4.5
107.08601	9.5
109.02905	3.4
109.06519	100.0
109.10161	25.1
116.88519	1.7
119.08562	4.5
121.10146	4.1
123.08083	11.0
127.03912	4.9
131.08569	12.2
133.10110	14.7
135.08044	39.1
145.10135	4.3
149.09618	4.4
149.48755	1.8
153.09137	4.2
165.09084	5.2
173.13293	19.0
180.68881	1.9
191.14304	88.0
208.24588	1.6
209.15363	81.3
344.21704	2.2
473.47037	2.1
474.21307	2.6
474.28427	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	474.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41509	1.6
53.03935	3.0
55.01853	2.2
55.05508	7.4
57.03432	7.6
59.18424	1.6
60.05647	9.1
60.21974	1.5
67.05509	21.9
69.07065	6.2
69.49691	1.8
79.05497	26.3
81.07053	18.7
81.64378	1.7
91.05477	21.3
93.07045	26.3
95.04978	4.0
95.08607	9.8
97.06531	5.8
97.10191	2.1
105.07011	15.2
107.08591	12.7
109.06509	2.6
117.07023	2.0
119.08574	13.0
121.10157	2.4
131.08566	5.1
133.10158	6.5
135.11720	5.5
147.11725	4.8
159.11687	1.7
161.13278	2.8
187.10988	1.8
216.06317	2.0
217.53075	1.8
222.88924	1.9
302.24762	2.4
333.24219	100.0
334.24554	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	474.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01598	0.3
51.02380	0.5
53.03938	1.2
55.01881	2.3
55.05511	7.4
57.03182	0.4
57.03441	5.7
57.07059	0.6
61.96383	0.3
61.99087	0.3
62.06085	0.8
65.03928	1.5
67.05507	17.2
69.03429	0.3
69.07067	6.1
69.38824	1.6
71.05009	0.5
77.03941	1.1
79.05495	22.2
81.06571	0.8
81.07057	17.5
83.04977	0.9
83.08624	2.1
85.06571	0.4
91.05481	19.4
93.07045	25.2
95.04971	3.4
95.08608	8.7
95.09213	0.6
97.06539	5.3
97.10177	0.5
98.98429	0.5
99.08080	0.4
103.05472	0.7
105.04519	2.1
105.07032	12.8
107.04942	0.6
107.08591	10.5
109.06523	0.8
109.10143	2.4
109.59906	0.4
111.08121	0.6
117.06227	0.5
117.07004	3.6
119.06064	0.4
119.08589	8.0
121.06508	0.8
121.10147	3.8
123.08053	0.8
123.11716	0.9
124.01631	0.5
129.06999	1.5
131.08568	3.3
133.10132	4.9
135.08075	0.6
135.11710	2.9
141.06998	0.4
142.02649	0.4
143.08566	1.6
145.10133	2.0
147.11668	3.3
149.09624	0.6
149.13240	1.3
157.10165	1.0
159.11688	1.4
161.13251	1.7
163.11180	0.5
163.14864	0.3
171.11702	1.0
173.13252	1.0
175.14832	0.7
183.11815	0.4
185.13254	0.6
198.05313	0.4
198.71199	0.3
199.14900	0.4
211.28929	0.3
216.06326	0.4
227.57384	0.3
241.19446	0.4
259.20551	1.2
277.21643	0.9
302.24789	1.2
333.24234	100.0
334.24573	4.8
351.25208	0.5
353.21762	0.5
392.24966	0.4
474.25778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.05513	6.8
57.03436	6.8
67.05507	17.4
69.07081	6.4
71.12201	1.1
75.17354	0.9
79.05492	22.8
80.48055	0.9
81.07058	19.0
83.08622	3.3
91.05479	22.5
93.07047	22.0
95.04963	4.7
95.08611	10.9
105.04523	1.0
105.07027	20.2
107.08601	12.0
107.50896	0.8
109.10165	2.9
117.07046	5.4
119.08572	11.8
120.08946	1.7
121.10136	7.4
123.08065	1.2
123.11694	1.1
129.06989	1.8
131.08578	5.6
133.10114	8.7
135.11702	3.4
139.35394	0.9
143.08571	2.3
145.10130	3.9
147.11665	5.5
149.13321	1.0
156.22063	1.1
159.11714	1.7
161.13307	2.1
163.11166	1.1
170.91449	0.9
173.13271	2.7
175.14836	1.2
185.13306	1.5
212.60741	0.9
213.16196	0.9
215.67784	0.9
216.06404	1.2
256.38998	0.9
259.20645	3.1
315.23050	2.9
333.24228	100.0
334.24527	4.4
380.41931	1.1
474.26581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45559	0.6
52.94146	0.5
53.03940	1.0
55.01873	0.7
55.05510	7.1
57.03435	6.9
57.07073	0.9
62.06080	1.6
65.03949	1.1
66.80013	0.5
67.05505	15.4
67.05865	1.0
68.37023	0.5
69.07067	6.4
69.80914	2.1
71.04976	0.7
79.05489	18.6
79.58760	0.6
81.07051	13.7
83.04966	0.6
83.08617	1.9
91.05482	19.1
91.06050	1.0
93.06441	1.2
93.07042	21.4
95.04965	2.9
95.08604	9.9
97.06522	0.7
97.10156	0.8
98.06019	0.8
98.23380	1.1
98.98465	1.2
103.03916	0.5
105.04483	0.5
105.07023	16.1
107.08586	9.4
109.06529	1.3
109.10144	2.5
115.05396	0.8
117.06999	4.2
118.69586	0.6
119.08575	11.6
121.06507	0.7
121.10139	5.8
123.11692	1.2
123.50327	0.5
124.01566	0.7
124.54482	0.5
125.76751	0.5
128.06241	0.5
129.07002	1.9
131.08566	4.6
133.10112	7.8
135.11671	4.5
143.08656	1.3
145.10114	5.0
147.11684	5.8
149.13274	1.9
157.10126	1.5
159.11691	2.9
161.13260	1.5
163.14886	0.7
164.07158	0.7
165.77959	0.7
171.11716	1.5
173.13234	1.5
175.14792	0.8
185.13263	1.1
187.14851	0.8
194.52942	0.6
198.05292	0.6
199.14832	0.7
216.06322	1.0
241.19514	2.3
259.20612	3.1
277.21579	0.9
277.58569	0.6
291.19507	0.7
302.24875	1.8
303.12640	0.6
315.23141	2.3
333.24219	100.0
334.24615	4.9
359.07571	0.6
412.92288	0.7
474.26306	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.7
57.07097	0.8
67.05507	10.6
69.03430	2.3
69.07062	6.9
71.46265	1.4
79.05509	4.0
81.03417	5.1
81.07066	4.6
83.05006	1.0
85.02931	1.1
85.06544	0.8
91.05486	3.9
93.07050	4.6
95.04977	2.5
95.08600	5.8
97.02888	0.8
97.10172	2.3
103.05466	1.1
105.07027	3.5
107.04971	3.5
107.08604	2.5
109.06519	2.0
109.10158	7.3
117.07037	1.3
119.08614	3.0
121.06508	3.4
121.10191	1.8
123.04415	1.3
125.09608	0.9
131.08604	1.9
133.10112	1.9
135.08070	1.6
136.05214	7.7
136.07570	2.3
137.05977	6.6
137.09650	2.2
145.06529	1.6
146.06052	1.4
147.04391	1.5
147.06808	1.0
147.07964	0.8
148.07584	3.2
149.02412	2.4
149.05969	5.2
149.09645	3.3
150.05531	1.4
151.07558	1.1
153.05470	3.8
157.10127	1.2
159.11716	1.6
160.07593	1.4
161.05983	2.3
164.07065	6.1
165.07887	10.9
165.09125	1.8
166.08607	12.5
167.07115	0.9
172.05135	1.0
173.06038	1.5
175.07613	1.0
176.07033	1.6
177.12729	1.0
182.15460	0.9
187.11238	1.3
189.07910	3.7
190.08720	2.7
191.08562	7.7
255.13698	1.0
258.14972	1.9
273.18561	1.0
284.16217	3.9
291.19531	3.1
333.87448	0.8
350.01733	0.7
365.52094	0.9
405.06528	0.8
456.27612	3.7
474.28574	100.0
475.28735	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	474.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.4
55.05488	1.2
57.03439	3.9
57.07077	7.2
58.06600	31.9
58.22182	0.3
59.04980	0.3
59.07381	10.1
60.08166	9.9
67.05476	1.6
69.07045	1.2
69.60283	1.3
71.08632	4.3
73.02875	0.7
75.04486	2.7
81.07066	2.1
83.08582	1.4
85.02922	2.3
85.10178	2.4
87.04466	4.2
95.08613	3.3
97.10176	0.7
98.22725	0.5
100.11240	0.5
102.05547	0.4
103.03925	0.4
105.05479	0.6
109.10120	1.4
113.05988	0.9
123.11713	0.5
126.24680	0.4
131.07002	1.6
144.10191	9.5
162.11255	1.4
172.95129	0.4
200.24576	0.3
218.13892	0.9
236.14922	86.9
237.15260	1.2
308.14325	0.4
313.27359	1.8
412.37820	0.8
456.36813	23.3
457.37195	1.1
474.37906	100.0
475.38293	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	474.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23135	0.8
57.03439	7.0
57.07074	4.7
58.06598	28.8
59.07380	8.4
59.22531	0.9
60.08165	8.4
61.35769	1.0
67.05497	2.7
69.07063	1.1
71.08626	2.5
73.02899	1.1
75.04480	3.9
81.07047	2.0
84.08154	0.9
85.02889	2.4
87.04462	5.0
93.05567	0.9
93.07120	1.1
95.08591	2.1
98.23500	2.8
103.03964	0.9
109.10194	1.3
131.07091	1.2
144.10210	8.3
156.60918	1.0
162.11259	4.3
181.87558	0.8
236.14920	100.0
313.27322	1.1
456.36807	25.3
474.25339	4.0
474.37930	81.7
475.19876	1.6
475.38110	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	475.0875
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
54.19276	0.3
55.05488	0.4
63.02379	1.0
70.06591	0.8
71.45768	0.4
72.08157	2.3
72.96622	0.3
79.05487	1.7
82.85012	0.3
84.04491	0.3
86.09698	1.5
89.03922	14.4
89.40070	0.4
90.04259	0.3
91.05477	0.5
95.04954	0.9
107.04965	3.3
117.03385	12.1
119.05024	0.4
135.04420	21.7
145.02859	14.0
145.03908	0.7
146.69658	0.3
147.04384	2.1
155.38837	0.3
163.03908	100.0
164.04251	1.8
175.02470	0.4
175.44173	0.3
177.05420	0.8
184.78273	0.3
191.03387	0.5
194.09584	0.3
231.48970	0.4
255.06490	0.8
269.02866	0.4
276.90906	0.4
278.54266	0.4
283.05997	0.7
295.04446	3.8
301.07141	0.7
313.11868	0.4
316.24475	0.3
364.02103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05512	5.0
55.12289	2.4
65.75556	2.3
67.05507	5.6
69.03441	11.7
69.07073	7.6
69.20638	12.3
70.06592	5.2
72.08157	4.9
79.05506	4.9
81.03429	5.4
81.07059	6.8
83.04979	5.0
83.08607	2.9
85.02901	10.6
85.06537	3.5
86.09695	24.7
87.00799	5.8
89.03910	4.5
89.23141	2.1
91.05469	15.3
93.07055	5.3
95.08595	12.7
97.02891	2.5
97.10177	4.7
97.36935	2.1
98.97624	2.2
99.08099	8.6
105.07037	2.5
107.08604	14.4
109.06450	3.2
109.10158	6.0
111.08114	4.1
117.03377	10.1
119.04945	20.1
119.08572	2.3
121.10172	7.4
123.08082	5.3
123.11664	3.1
125.05973	3.5
125.09644	41.2
127.03934	6.7
133.10136	6.2
135.04408	5.7
135.08086	5.8
135.11748	2.5
137.05991	5.0
137.09593	2.7
139.07535	2.9
145.02863	18.8
147.04417	86.9
147.11774	3.1
149.06168	2.7
149.09621	75.2
149.13251	5.0
150.09882	3.6
151.11180	12.3
153.09081	13.9
162.03786	2.6
163.03906	22.8
163.14850	5.7
165.12714	3.9
167.07059	2.6
173.13254	7.7
177.05479	21.9
184.24631	2.5
187.14392	4.1
191.14326	29.5
203.94798	2.7
207.13805	3.5
209.15382	100.0
227.16454	10.4
229.72836	2.4
259.02109	2.7
296.05710	4.4
313.12070	4.2
333.13339	3.0
337.10751	3.0
355.11517	2.9
373.12802	3.0
443.21735	3.5
445.21921	2.4
475.15167	2.9
475.25198	5.1
475.32645	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	475.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
54.33195	0.8
55.01860	1.0
55.05511	4.8
59.04994	1.1
67.05495	2.6
68.99785	0.9
69.03429	12.2
69.07062	3.7
70.00008	0.8
70.00356	2.1
70.06571	2.0
71.04974	2.2
79.05472	2.3
81.03400	3.1
81.07064	3.8
83.04980	4.8
83.08622	3.6
84.04540	1.0
85.02915	6.3
86.09701	7.2
87.00823	2.9
87.10056	0.7
89.06017	2.0
91.05468	4.1
93.07059	5.6
95.04961	2.9
95.08602	6.3
97.02861	2.7
97.06530	1.7
97.10159	3.5
99.04461	1.8
99.08102	7.8
105.01868	2.0
105.07021	1.7
107.08597	12.5
109.02888	2.9
109.06509	3.1
109.10157	5.5
111.08052	4.2
112.68555	0.7
113.05988	1.6
117.03334	1.2
119.04915	3.2
119.08589	1.5
120.08094	0.9
121.06485	1.3
121.10142	10.9
123.08006	1.1
123.11690	2.1
125.05994	2.9
125.09627	42.4
127.03930	4.0
133.10126	3.2
135.04448	1.3
135.08040	5.4
135.11655	1.2
137.05971	2.9
137.09612	4.0
138.06329	0.7
139.07544	2.2
139.11240	1.3
145.02853	4.4
145.04961	1.6
145.10077	1.2
147.04401	8.1
147.11664	2.4
149.09613	69.8
149.13200	5.7
150.09984	1.2
151.11188	12.0
153.09100	12.0
154.09816	1.9
159.02872	1.3
163.03886	5.0
163.14798	5.2
165.12766	2.1
173.13217	4.4
177.05490	5.3
181.53503	0.9
191.14301	25.6
192.14566	0.8
201.05508	0.8
203.12735	0.8
209.15363	100.0
210.15675	2.3
227.16435	8.5
231.28339	0.8
337.10693	2.1
454.61142	0.7
475.21365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63634	2.1
56.52265	1.9
70.06581	2.6
71.43864	3.1
74.14275	2.3
84.08179	6.0
86.09709	16.3
89.03925	8.2
91.05487	3.2
105.07050	2.7
115.51187	2.2
117.03391	30.3
119.04951	6.0
125.61509	2.3
129.10300	4.0
133.02870	5.0
134.03661	2.7
135.04457	2.5
137.05952	4.5
145.02853	74.3
147.04411	6.8
149.05969	10.4
175.03975	4.3
177.03928	5.0
177.05478	100.0
179.07065	8.0
201.05521	2.6
215.13890	2.4
277.15466	3.3
278.16327	4.6
279.17096	4.2
315.73813	2.0
325.10583	2.9
337.10712	4.6
355.11838	6.4
373.12817	4.2
427.22253	8.6
457.23807	3.5
475.24597	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	475.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66280	0.4
63.02351	0.5
70.60168	0.6
71.04993	0.8
82.27353	0.3
84.08151	1.8
85.02885	0.9
86.09711	2.2
89.03448	0.6
89.03919	5.7
91.05468	1.6
94.66979	0.3
105.03391	0.4
105.07019	2.9
117.03381	22.4
118.03751	0.7
119.04925	3.1
124.05202	0.5
129.10245	0.9
133.02864	1.2
133.06491	10.9
134.03651	1.6
135.04433	1.1
137.05984	3.1
141.10118	0.4
145.02849	67.5
146.03201	1.3
147.04407	2.9
149.05980	8.7
151.07523	1.6
151.10127	0.4
161.05988	1.2
162.06752	1.6
163.03905	0.9
173.97884	0.4
175.03894	2.8
177.05470	100.0
178.05794	1.7
179.07033	10.6
180.07788	1.0
186.05452	0.7
192.06680	0.4
201.05457	2.3
206.41953	0.4
213.15549	0.4
230.66823	0.4
231.06462	0.9
231.16742	0.4
249.07570	0.4
277.08554	0.5
277.15533	1.0
278.16333	2.7
279.17072	4.0
304.87592	0.3
305.08075	1.2
321.22372	0.4
325.10672	4.6
337.10773	3.2
337.33450	0.4
341.10281	1.3
355.11752	4.2
364.64322	0.4
373.12851	7.7
404.10010	0.4
427.22189	2.2
457.23199	0.7
475.17554	0.7
475.24475	15.3
476.24924	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02374	0.8
65.03933	0.4
69.79217	1.1
70.06593	0.6
72.08141	0.7
82.92474	0.5
84.04537	0.5
84.08138	1.8
86.09702	2.7
89.03909	7.6
91.05482	1.9
98.22779	0.6
103.05449	0.5
112.07524	0.4
117.03373	27.9
118.03653	0.4
119.04941	3.1
121.06440	0.4
124.05145	0.7
129.10245	1.3
131.04881	0.4
133.02867	1.0
133.06502	0.6
134.03627	1.3
135.04402	1.7
137.05946	3.0
145.02841	74.2
146.03152	1.3
147.04401	4.0
149.05980	9.6
149.07158	0.6
151.07539	1.6
161.06010	3.0
162.06741	1.7
163.03897	0.9
166.10689	0.4
169.31993	0.4
175.03889	2.8
177.05463	100.0
178.05859	2.2
179.07002	7.0
186.05482	0.6
201.05481	2.6
221.08095	0.6
231.06483	0.6
235.16539	0.4
277.15359	0.8
278.16196	3.0
279.08673	1.6
279.16980	6.4
305.07767	0.7
305.30966	0.4
325.10593	3.5
335.06284	0.5
337.10617	2.8
341.10187	1.2
355.11865	3.9
373.12787	4.7
380.31790	0.4
427.22070	2.0
457.23080	0.9
475.14548	0.8
475.24738	12.7
476.24823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65557	1.1
53.03951	2.2
55.05512	10.1
57.03447	9.9
57.07050	1.1
58.49353	1.2
59.05032	1.3
63.74385	1.0
65.03943	1.3
65.16380	1.0
67.05509	51.2
67.05870	2.5
69.07082	12.5
69.37234	3.0
69.37624	2.2
79.05500	23.4
81.07062	52.6
83.08647	5.4
85.06545	1.2
91.05488	16.6
93.07047	33.2
94.07377	1.1
95.04961	2.8
95.08613	38.8
97.06535	1.7
97.10165	2.9
98.98474	19.9
105.04526	1.6
105.07026	14.9
107.08605	17.9
109.06606	1.4
109.10165	20.4
117.07036	6.3
119.08582	12.7
120.52289	1.3
121.10144	14.5
122.98424	1.6
123.11715	8.7
129.05473	1.4
129.07036	1.5
131.08559	8.2
133.10124	10.5
135.11691	12.2
137.13210	2.4
140.99483	46.4
143.08629	1.8
144.09309	1.2
145.10146	9.5
147.11716	6.9
149.13283	6.3
155.01048	1.9
157.10173	1.8
159.11711	8.2
161.13249	4.3
163.14815	3.8
169.10236	1.3
173.02086	3.0
173.13269	7.1
175.14801	2.1
185.13350	1.3
187.14876	3.7
197.02084	5.1
201.16429	1.9
215.03206	4.6
243.21121	4.9
261.22107	13.2
267.21222	1.4
274.98184	1.2
279.23038	1.9
285.22098	7.1
303.23215	5.0
317.24756	3.7
333.24310	1.7
335.25806	100.0
336.26086	4.1
359.25790	4.6
360.25888	1.2
367.24500	1.1
377.27048	1.8
409.12851	1.4
457.23495	3.3
475.24521	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05511	4.6
55.85358	0.5
56.40271	0.5
57.07068	2.3
67.05500	6.8
69.06756	0.8
69.07075	7.1
69.37209	3.3
71.08620	1.5
76.86583	0.5
77.01678	0.6
79.05489	3.4
81.07052	8.2
83.04976	1.3
83.08631	4.0
85.10213	0.6
86.46569	0.6
91.05486	2.5
93.07045	5.9
93.10545	0.6
95.04980	0.9
95.08612	8.3
97.06499	0.6
97.10153	2.5
98.61958	0.6
105.07034	3.2
107.08597	2.7
109.06500	0.9
109.10148	6.8
111.08089	5.0
111.11709	1.0
117.07015	1.5
119.08570	4.2
121.06510	0.8
121.10156	2.6
122.07274	1.1
123.08064	2.5
123.11724	1.1
131.08546	1.5
133.10135	2.6
135.08063	2.7
135.11707	1.6
135.99467	0.6
137.09628	11.1
137.13264	0.7
142.07813	0.7
147.08026	1.9
147.11629	1.2
149.09602	7.3
151.07542	1.7
157.10204	0.8
159.08069	0.7
159.11693	0.7
160.08911	0.7
161.09619	1.5
161.13243	0.9
161.51062	0.6
163.07553	0.6
163.11185	1.3
165.09116	100.0
166.09485	2.0
166.70486	0.6
171.11697	0.8
173.09593	0.7
175.07640	1.0
175.11209	2.2
177.09090	6.3
179.10686	2.4
187.11227	1.2
188.08321	0.9
189.09135	5.0
189.12750	1.7
190.09833	1.2
191.10667	2.5
199.11095	0.8
201.12697	0.9
203.10667	23.5
203.14412	1.3
205.08459	0.9
205.12228	6.0
206.12775	0.6
207.10275	0.7
213.12790	1.0
215.10680	1.0
217.12215	1.0
229.12288	1.7
231.13811	1.9
235.13235	1.5
241.12302	0.9
243.13899	1.0
245.15402	1.4
257.11792	5.6
257.15570	1.0
267.13892	1.5
269.15399	4.2
275.23770	0.9
281.15213	0.7
287.16354	6.7
287.23553	1.1
299.16513	0.9
340.99911	0.7
393.31421	1.0
411.32562	2.7
421.31061	5.7
429.29489	1.2
439.32108	13.9
440.32266	1.1
457.33261	4.3
475.34024	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78065	0.6
55.01862	1.0
55.05517	5.3
56.46869	0.6
56.66420	0.6
57.03427	2.3
57.07076	3.1
57.10733	0.6
64.25856	0.5
67.05206	0.8
67.05508	8.4
69.07068	8.4
69.45695	2.9
71.08612	1.0
79.05482	3.3
81.07059	8.9
82.07384	0.7
83.04990	0.7
83.08626	4.6
91.05465	3.4
93.07047	6.7
95.08613	8.9
97.10191	3.0
98.98444	3.1
99.97242	0.6
105.07030	3.1
107.04967	0.8
107.08603	4.7
109.06499	0.9
109.10169	8.2
111.08091	4.1
111.11701	1.0
112.99992	0.8
117.07006	0.6
119.08580	4.7
121.06517	0.9
121.10127	2.9
122.07297	0.7
123.08083	1.6
123.11754	1.4
131.08588	2.2
133.10136	2.1
135.08104	3.2
135.11665	2.0
136.99992	3.1
137.09619	10.5
137.13329	1.1
139.32953	0.6
143.08435	0.6
145.10152	1.5
147.08051	1.5
147.11705	1.4
149.09604	5.9
149.13298	0.6
151.07524	2.0
154.94221	1.1
155.01016	2.0
157.10095	1.3
159.11728	1.4
160.08846	1.2
161.09622	1.6
161.13242	0.8
162.06731	0.9
163.11185	1.5
164.08293	1.8
165.09119	100.0
166.09438	1.3
171.11673	1.0
172.95238	1.7
173.09663	1.2
175.07619	0.8
175.11188	2.4
175.14810	0.6
177.09134	6.1
179.07007	0.7
179.10696	3.2
186.10223	0.7
187.11211	2.0
188.08344	2.0
189.09093	4.9
189.12741	1.0
190.09850	1.0
191.10698	2.4
193.02565	0.6
199.11171	1.1
201.12865	1.0
202.09874	0.7
203.10670	24.5
204.11142	0.8
205.12247	6.4
207.10161	0.9
211.03777	0.9
213.12642	1.2
215.10635	1.1
217.12253	1.8
229.12207	1.8
231.13814	1.4
233.22650	0.6
241.12334	0.5
243.13806	1.0
245.15385	2.4
257.11719	3.9
259.13364	1.4
263.23605	0.7
267.13657	1.0
269.15314	4.4
287.16376	6.0
287.23615	0.9
299.16568	0.7
339.28989	2.1
408.33389	0.6
411.32986	3.2
421.30978	4.8
429.29474	0.8
439.32077	16.7
457.33173	3.6
458.33435	0.7
475.21140	2.4
475.28305	2.4
475.34286	2.1
476.34900	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	476.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07912	1.1
65.03952	1.7
68.90401	1.1
69.52539	4.4
70.06621	1.8
72.08132	1.7
85.02888	2.0
86.09695	3.1
89.03915	7.5
90.46426	1.4
91.05476	12.3
95.04977	3.9
96.05337	1.7
98.10910	1.3
103.07697	1.1
107.04946	1.9
109.37518	1.3
115.92529	1.2
117.03377	10.0
119.04950	28.0
119.05827	1.5
127.19666	1.3
133.10124	2.3
134.10464	2.6
135.04416	20.2
145.02870	15.4
147.04414	100.0
148.04765	1.9
153.09076	2.9
163.03908	94.1
209.15442	3.4
210.15665	3.3
245.51335	1.3
279.04959	4.1
295.04568	6.5
501.57336	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80857	0.6
55.01871	1.8
63.02357	1.1
64.01067	0.6
65.23413	0.6
69.03421	0.6
69.56947	0.6
72.08154	1.1
79.05496	5.7
83.93980	0.6
84.93251	0.5
85.02898	2.1
86.06052	1.4
86.09681	1.7
89.03912	6.1
91.05471	5.3
95.04939	1.2
97.02903	0.9
103.05480	6.1
105.07027	55.8
106.07324	0.7
107.04955	1.4
115.04070	0.6
115.05457	10.8
117.03387	4.3
118.04207	3.3
119.04946	11.0
122.02769	0.9
123.08064	1.1
131.04906	2.4
133.06487	58.6
134.06764	0.8
135.04413	8.3
143.04893	1.6
143.06041	5.0
145.02850	5.4
146.03130	1.1
147.04402	34.9
161.05974	100.0
162.06300	2.1
163.03899	40.1
164.04221	5.8
165.05496	0.7
181.05075	0.6
183.94270	0.6
193.08597	88.4
194.08900	1.8
199.82202	0.6
216.11327	0.7
217.12294	0.6
220.27736	0.7
261.11261	1.5
261.57617	0.6
279.04968	1.3
284.07892	2.0
295.04462	2.0
399.04321	0.6
476.17896	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	476.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19412	0.6
51.16185	0.7
51.33692	0.6
53.03945	1.8
55.01880	3.9
56.05044	0.9
57.03422	1.2
60.04541	0.8
61.02917	1.0
68.99781	1.0
69.03426	7.2
70.06602	0.8
71.04991	2.5
71.45493	0.8
73.02918	2.1
74.06079	2.1
74.09703	0.9
79.05486	3.4
81.03413	7.2
85.02914	19.1
86.09710	1.2
86.40562	0.7
87.00844	7.1
87.04475	0.8
89.03898	1.0
91.05485	3.3
95.04955	1.5
97.02894	8.1
98.06112	0.7
99.04448	4.4
103.05489	4.4
104.98564	0.7
105.01883	5.2
105.03392	0.8
105.07034	46.9
107.04957	0.8
108.04474	4.2
109.02895	4.7
115.05458	11.4
118.04159	2.4
119.04912	1.8
126.05508	1.7
127.03912	9.2
129.01805	0.8
131.04909	1.3
133.06493	44.6
135.04416	1.1
137.05969	1.9
143.04980	1.5
143.06038	4.2
145.02856	1.6
145.04953	5.4
147.04434	2.5
149.05949	0.9
159.02869	3.6
161.05980	100.0
162.06372	2.7
163.03905	4.2
164.04234	1.6
177.05493	1.9
178.05951	1.3
193.08609	93.4
194.08871	2.4
211.09669	1.6
231.04979	1.5
238.13712	0.8
248.07674	1.7
266.12631	0.7
313.11807	3.5
314.12189	10.1
327.07919	0.8
476.16965	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	476.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.0
57.03437	47.5
61.02924	0.8
61.11069	0.6
69.03428	2.0
69.70874	1.2
69.71268	1.0
71.04993	1.2
81.03396	2.0
85.02906	6.2
87.00826	1.9
97.02898	3.6
97.03419	0.5
99.04446	1.7
105.01833	1.6
109.02876	2.2
127.03889	3.4
145.04965	2.9
155.07027	1.7
159.02922	1.6
163.35349	0.6
209.15442	0.7
211.09650	100.0
212.09987	2.3
215.10609	0.7
227.16551	0.7
228.16689	0.8
245.11220	0.6
275.16016	0.6
279.11926	0.6
475.32568	17.5
476.19467	2.2
476.32831	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	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13157	0.1
53.03938	0.5
57.08457	0.2
69.03428	0.2
69.07033	0.1
69.40251	0.3
69.40650	0.4
72.58705	0.1
76.83910	0.1
77.03963	0.3
79.05479	1.2
81.07039	0.2
85.02886	0.2
85.06539	0.5
91.05503	0.1
95.04960	1.6
105.04508	0.6
107.04951	100.0
108.05280	1.5
111.04453	0.2
119.08638	0.2
125.55482	0.2
127.03887	0.2
129.50169	0.2
133.10091	0.2
134.03552	0.1
135.11691	0.2
145.08583	0.5
156.92969	0.2
175.14755	0.3
250.56651	0.2
475.32626	0.3
476.26489	0.2
476.32681	1.0
477.15826	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.2
51.13901	0.1
53.03936	0.3
55.01853	0.1
55.11957	0.1
62.27927	0.1
69.03436	0.2
69.42478	0.3
69.42868	0.2
77.03922	0.5
79.05496	1.0
81.03403	0.1
85.02892	0.3
85.06559	0.2
87.55833	0.1
95.04967	1.2
105.04497	0.7
105.07066	0.2
107.04955	100.0
108.05272	1.6
119.08566	0.2
133.04950	0.1
133.10146	0.3
145.08582	0.2
175.11295	0.1
175.14830	0.3
193.12138	0.1
200.21964	0.1
220.39957	0.1
225.42714	0.1
244.13661	0.1
262.26596	0.1
369.66907	0.1
454.88626	0.1
475.32452	0.4
476.18921	0.2
476.32867	1.0
477.17917	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	1.2
69.71171	1.2
70.06602	0.3
71.04991	7.0
79.05491	2.1
83.04958	0.8
85.02404	0.6
85.02904	8.0
86.09688	0.6
91.05465	0.3
95.04951	0.7
103.05479	1.0
105.07030	16.7
106.07383	0.4
107.04949	0.7
111.04406	0.6
115.05441	0.8
121.87820	0.3
123.08076	0.7
128.04483	0.3
129.05466	3.4
130.21547	0.3
133.06488	100.0
134.06819	1.6
147.06514	1.5
151.60141	0.3
155.08649	0.4
156.49063	0.3
161.05815	0.3
164.09196	1.2
171.11757	0.3
199.11182	1.0
201.02182	0.8
217.12250	0.5
249.15753	10.4
250.16090	6.6
261.11179	1.6
279.12302	0.8
373.57144	0.3
459.46341	0.4
476.21591	0.4
504.89426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.4
55.01846	0.6
57.03423	1.4
65.03945	0.5
69.03407	0.8
70.06598	0.5
70.44104	0.6
71.04989	6.2
72.08138	0.4
73.02899	1.3
77.03947	0.4
79.05490	3.1
85.02905	8.4
86.09708	1.5
89.03915	1.1
89.61874	0.4
91.05469	2.1
95.04953	0.6
97.02895	0.8
103.05419	1.6
105.04548	0.6
105.07033	27.5
106.07346	0.4
107.04955	8.1
115.03944	1.0
115.05452	0.9
117.03405	2.6
118.03725	1.2
119.04953	4.2
127.03926	0.4
129.05463	3.1
133.06488	100.0
134.06828	1.8
135.04413	2.1
145.02853	5.3
146.03217	1.9
146.08018	0.5
147.04410	12.3
147.06537	1.5
147.08014	0.6
148.04694	0.7
149.05980	1.2
163.02615	0.8
163.03899	10.0
164.09183	1.4
165.09158	2.3
177.05469	5.2
178.05836	2.5
179.07059	0.4
279.05075	0.6
281.30106	0.4
295.04517	0.4
314.24680	0.4
326.10849	0.5
331.05304	0.4
338.11404	0.5
374.13394	0.5
447.80258	0.4
476.24805	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
53.10583	0.4
55.01861	1.1
55.05504	1.8
57.03432	0.5
61.02900	0.5
64.75379	0.3
67.05495	0.8
69.03123	0.3
69.03426	2.6
69.07072	4.8
71.05004	0.8
71.46297	0.4
73.02909	0.8
79.05499	0.8
81.03424	2.9
81.07046	1.8
83.08601	1.1
85.02905	8.1
87.00819	3.6
91.05479	2.6
93.07014	1.1
95.08609	3.8
97.02904	3.4
99.04453	1.2
103.46236	0.4
105.01869	3.3
105.07032	5.6
107.08607	2.8
109.02885	3.2
109.10132	1.6
117.01842	0.6
117.06992	0.5
119.08578	26.9
120.08910	0.6
121.10140	2.9
127.03931	5.6
131.08533	0.8
133.10124	22.9
135.11671	1.5
145.05006	1.9
145.10118	1.4
147.11693	4.0
159.02870	1.6
160.12444	0.9
173.13187	0.8
174.97948	0.4
175.14818	100.0
176.15166	2.8
177.16357	1.9
193.15871	3.9
197.05989	0.4
231.05005	1.3
249.06033	0.7
291.99481	0.4
368.76331	0.4
376.93512	0.4
399.93616	0.4
417.35266	0.4
490.30588	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87243	1.6
51.88709	1.6
55.05508	4.1
56.98470	1.7
57.68553	1.5
67.05511	4.8
68.99725	1.6
69.03438	4.0
69.07066	5.2
70.06611	1.5
70.60384	2.8
71.05003	3.6
79.05490	2.2
81.03438	2.5
81.07072	9.7
83.05006	2.1
83.08633	2.3
85.02907	12.5
85.81611	1.6
87.00829	4.4
91.05477	3.9
93.07064	5.3
95.04947	1.6
95.08623	12.3
97.02908	5.0
99.04479	2.5
99.08117	4.3
100.11263	4.3
105.01865	3.6
105.07033	11.5
107.08604	9.2
109.02866	4.8
109.06501	2.5
109.10149	10.2
119.08587	50.1
121.10160	1.9
123.11693	3.0
127.03950	6.7
131.08647	2.0
133.10135	73.2
134.10504	2.4
135.11691	22.4
145.04948	3.3
147.11732	3.1
159.02870	2.2
175.14825	100.0
176.15181	2.8
182.15401	2.2
187.26553	1.6
193.15887	22.8
198.11330	2.6
211.16943	35.3
223.22601	1.6
231.05045	1.9
249.06161	2.1
284.08984	6.8
402.13718	1.7
468.81729	1.8
475.32983	1.9
475.82727	68.9
476.26688	2.9
476.32892	29.3
476.82870	5.2
477.16241	27.6
477.34348	2.1
496.85715	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.3
53.68153	1.6
55.01867	2.8
55.05507	8.3
57.03426	2.6
57.07069	1.8
59.04992	1.8
63.55925	1.8
64.11363	1.6
67.05508	10.7
68.84743	1.8
69.03430	8.0
69.07076	9.9
70.06216	1.8
70.06551	4.5
71.04993	4.5
79.05498	12.4
81.03414	4.8
81.07062	21.0
83.08628	6.9
84.04488	2.4
85.02905	14.2
85.06554	3.0
86.25718	1.5
87.00839	4.7
91.05473	18.3
93.07043	38.0
95.04983	4.5
95.08598	22.5
95.09149	2.4
97.02901	7.8
97.10191	2.5
100.11268	5.4
101.01784	1.8
105.01852	8.1
105.07027	24.1
107.04965	2.8
107.08591	47.4
109.02876	5.9
109.06531	6.6
109.10154	11.3
111.08085	4.0
119.06035	1.7
119.08578	50.3
121.06488	6.9
121.10140	14.3
123.08070	3.4
123.11715	8.5
124.11214	2.7
125.09649	2.0
127.03936	11.3
131.08560	2.3
133.10126	63.9
135.11694	89.2
136.07582	2.0
137.06006	3.0
137.09622	6.1
145.04985	4.0
145.10167	2.4
147.04395	3.1
147.11682	9.9
149.06003	4.1
149.13255	3.3
158.91322	1.6
159.02887	2.8
159.11700	2.2
167.07066	2.1
173.11815	1.9
173.13275	1.9
175.14819	100.0
175.46526	2.0
176.15132	2.7
176.59750	1.6
177.07848	3.9
177.16393	33.8
182.15440	5.6
189.09079	9.7
193.15880	49.8
194.16261	1.7
197.88942	1.7
210.14963	4.6
211.16998	3.5
229.17889	4.1
245.08167	2.2
246.14949	3.6
271.13416	2.4
381.29901	2.2
401.33691	1.9
423.21078	1.9
441.22610	2.6
458.24939	3.7
476.25592	13.4
476.32306	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.05505	3.6
67.05502	5.0
69.03427	4.4
69.07050	3.5
69.19875	6.8
71.04986	3.5
73.73516	1.0
79.05478	9.0
81.03404	4.7
81.07054	25.2
83.04957	1.2
83.08640	1.6
84.02483	1.2
84.91827	1.1
85.02901	10.8
85.06538	3.0
87.00821	4.0
91.05472	8.5
93.07050	27.2
95.04957	2.0
95.08607	18.5
97.02884	4.2
97.06519	1.6
99.04459	2.1
99.08102	2.2
105.01863	3.2
105.06346	1.7
105.07031	21.0
107.08592	33.7
109.02871	3.5
109.10162	3.6
111.08082	1.2
119.08583	61.8
121.10178	1.8
123.11704	4.8
125.02433	1.0
127.03883	6.4
131.38805	1.2
133.10129	33.9
135.11691	60.5
136.12067	1.4
145.04980	2.0
146.71323	1.3
147.11725	5.7
149.13287	1.5
150.21431	1.1
156.02692	5.5
159.02969	1.5
167.06999	2.1
175.14821	100.0
176.15144	1.5
181.04953	3.5
193.15889	34.7
211.17014	1.5
231.05040	2.1
233.08105	3.4
245.08109	5.5
343.22342	2.8
389.94888	1.1
458.25140	3.8
476.26184	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	476.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15083	2.3
55.05514	5.4
56.17511	2.4
60.41209	2.1
67.05516	4.7
69.07079	4.7
75.65540	2.1
79.05494	5.1
81.07064	8.2
84.04507	3.9
85.02896	2.6
85.06554	4.1
86.49159	2.0
91.05490	19.1
93.07047	64.8
95.08592	13.1
98.28221	2.3
105.01900	3.9
105.07036	30.7
107.08595	50.4
109.06513	3.5
109.10133	11.7
119.08585	29.1
123.11703	6.3
131.08572	12.5
133.10135	36.3
135.11694	100.0
137.09634	2.3
145.10080	2.5
146.43120	2.2
147.11700	5.3
168.15088	2.4
173.09775	2.4
173.13257	78.5
175.11316	4.1
175.14822	61.6
193.12173	2.9
193.15883	42.3
215.14380	4.6
233.15274	10.7
261.14883	4.3
279.15857	10.9
297.07663	2.7
467.95120	2.5
475.82660	4.5
476.21478	8.3
476.32669	7.2
477.19910	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	476.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.3
67.05470	4.0
69.03426	9.7
69.07079	11.2
69.68967	11.4
71.04979	4.6
74.24120	3.5
77.34030	2.8
79.05496	3.9
80.21533	2.8
81.03419	5.0
81.07050	8.6
83.08626	6.0
85.02901	24.0
87.00841	9.2
91.05514	5.3
93.07050	6.4
95.05039	3.3
95.08621	10.6
97.02900	7.4
97.06522	14.0
99.04455	3.0
105.01875	10.7
105.07068	5.3
107.08602	9.6
109.02902	4.8
109.06519	15.4
109.10143	7.6
115.07462	3.3
119.08587	10.8
121.10140	6.4
123.08098	8.4
123.11682	9.1
127.03920	9.8
133.10120	28.0
135.11674	21.1
149.13272	9.4
150.43422	3.4
175.14825	45.8
193.15881	76.0
211.16934	100.0
211.18918	6.7
245.80939	3.2
253.18004	3.7
256.56210	2.8
309.22812	4.0
330.38391	3.1
381.50784	3.0
405.63647	3.1
476.25903	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	476.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.8
59.31842	2.6
67.05490	3.9
69.03418	6.8
69.07060	11.5
71.47129	3.4
79.05486	4.5
81.03431	4.6
81.07046	11.9
83.08621	3.0
85.02888	13.6
87.00814	4.2
91.05470	11.8
93.07035	5.1
95.08595	11.8
97.02879	4.2
105.01872	7.5
105.07025	21.9
107.08566	16.2
109.02866	4.2
117.07000	5.1
119.08579	96.5
119.67945	2.7
121.10130	6.6
127.03877	8.0
133.10121	34.2
135.11720	5.1
145.04901	3.8
147.11684	10.7
175.14821	100.0
193.15875	3.2
214.18083	4.7
249.06039	3.0
393.90829	2.9
463.03387	2.6
476.32596	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	476.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	9.8
57.03447	12.2
57.07078	51.3
67.05506	13.7
69.07070	10.5
71.08635	32.7
81.07071	15.8
83.08621	12.4
85.10194	20.5
89.06045	5.7
91.05497	2.8
91.48263	2.7
93.07072	4.5
95.08601	24.1
97.10165	5.3
109.10166	8.1
114.60880	2.7
119.46515	2.4
120.96634	88.8
123.11690	4.2
124.93753	24.7
142.94812	11.2
145.99738	4.3
164.00838	86.8
164.03764	2.8
188.87311	2.9
195.00237	4.4
258.54874	2.7
313.27374	62.4
314.27808	3.0
335.25647	6.5
433.23245	100.0
434.23514	6.5
459.18607	5.7
476.27426	60.9
477.19971	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	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
55.01869	0.3
55.05257	0.5
55.05511	7.6
57.03185	0.5
57.03441	6.9
57.07074	0.8
62.06073	0.4
65.03928	1.1
67.05504	30.3
68.05840	0.4
69.03437	0.3
69.06712	0.5
69.07069	8.1
69.59505	0.5
69.59872	0.6
71.04980	0.8
73.76631	0.3
77.03912	0.5
79.05492	15.3
80.05833	0.3
80.25109	0.3
81.07056	24.0
83.04987	0.4
83.08610	3.1
85.06537	0.5
91.05477	6.9
93.06447	0.6
93.07045	16.1
95.04971	1.8
95.08606	20.1
96.08927	0.4
97.06532	1.0
97.10156	1.1
98.06069	0.4
98.98458	0.4
99.08089	0.3
105.04500	0.8
105.07040	3.8
107.08586	7.2
109.06523	0.8
109.10159	6.4
111.08104	0.6
111.11703	0.3
117.07003	1.2
119.08575	3.1
121.10147	6.0
123.08074	0.7
123.11694	1.5
124.01577	0.7
131.08553	2.0
133.10110	2.0
135.11708	2.9
137.09622	0.3
137.13249	0.3
141.27570	0.3
145.10176	1.3
147.11691	1.1
149.09517	0.3
149.13249	1.0
159.11740	0.5
161.13266	1.0
163.14806	0.4
173.13263	0.8
175.14778	0.4
187.14778	0.3
196.82924	0.3
216.06371	1.0
242.33870	0.3
261.22168	0.7
297.36203	0.3
304.26346	3.0
335.25790	100.0
336.26196	4.6
476.28564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70025	1.0
55.05518	8.6
56.17010	1.0
57.03434	2.3
57.07058	1.2
57.56092	1.2
57.90943	1.1
62.06092	35.6
62.63028	1.0
65.78120	1.0
67.05505	25.4
69.07066	8.1
70.96154	1.6
71.04977	1.4
79.05504	16.9
81.07057	21.5
83.08627	3.0
83.73680	1.2
91.05493	8.0
93.07053	16.4
95.04979	2.0
95.08614	21.1
96.75835	1.2
97.10238	1.3
98.06072	1.1
98.98465	8.5
105.07003	5.2
107.08591	8.2
109.10157	6.8
117.07031	2.0
119.08582	4.5
121.10144	6.9
123.08100	1.2
123.11671	1.1
123.92001	1.1
124.01622	2.5
128.90793	1.1
131.08589	2.6
133.10161	4.2
135.11705	4.0
145.10123	2.1
147.11684	2.4
149.13289	2.3
155.01074	3.3
158.34830	1.1
159.11748	1.7
160.48625	1.0
161.13220	2.6
163.14819	1.8
173.02167	3.1
173.13239	1.6
198.05252	3.8
201.58209	1.3
216.06305	3.9
243.21083	2.1
243.58376	1.2
261.22211	5.3
304.26355	10.2
317.24802	1.3
335.25800	100.0
336.26135	5.8
415.22498	2.2
458.26648	5.3
470.57922	1.3
476.27744	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	476.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
55.05524	5.5
57.03429	5.7
57.07081	1.6
60.63359	0.7
62.06098	0.9
65.03918	1.1
67.05506	30.6
69.07072	4.6
69.57747	3.0
71.08682	0.9
74.11544	0.8
79.05498	13.6
81.07061	25.8
83.08624	2.3
91.05485	9.4
93.07047	18.4
93.07610	1.4
95.04964	2.1
95.08612	18.5
97.06531	1.0
97.10154	1.3
98.22649	1.2
105.07034	5.1
107.08592	8.4
109.06583	1.1
109.10158	6.7
117.07022	2.5
119.08567	4.6
121.10123	5.3
123.11729	2.8
131.08551	4.5
133.08557	0.9
133.10133	2.7
135.11729	3.4
137.09656	0.8
145.10118	2.7
147.11710	1.9
149.13263	3.7
159.11761	1.8
161.13271	1.4
163.14832	1.0
173.13272	2.1
240.14229	0.8
243.21037	1.8
261.22183	1.8
264.53418	0.9
304.26337	1.8
316.10486	0.7
317.24658	1.1
335.25803	100.0
336.26080	4.7
476.27234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.2
57.03446	5.9
57.07084	1.2
62.06068	1.4
65.03951	0.9
67.05505	30.7
69.06727	1.1
69.07056	6.2
79.05488	16.4
81.07059	26.6
83.08623	0.9
85.06500	0.9
91.05480	8.8
93.07040	20.6
95.04954	2.1
95.08607	18.6
97.06504	1.1
97.10159	1.1
98.98449	1.3
99.08063	0.9
105.07015	5.3
107.08598	9.1
109.10145	5.7
117.07026	2.9
119.08588	3.7
121.10135	4.6
123.11695	2.4
124.33625	0.8
129.88899	1.0
131.08566	3.3
133.10126	2.4
135.11697	3.3
137.05928	1.7
145.10120	2.9
147.11687	1.9
149.13278	2.8
159.11734	1.8
161.13284	1.5
163.14870	0.9
167.96625	1.0
173.13261	2.4
187.14752	1.0
215.96991	0.9
219.17351	0.7
243.21060	2.2
261.22064	1.5
304.26218	1.1
305.21091	2.0
317.24841	1.3
335.25809	100.0
336.25967	4.0
476.28500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.1
57.03436	4.4
67.05505	40.9
69.07076	4.4
71.46967	4.7
79.05482	17.1
80.94880	3.8
81.07063	31.6
83.86794	3.5
85.90713	4.0
86.92802	3.9
91.05478	10.4
93.07038	21.6
95.08626	16.1
105.07014	7.7
107.08595	8.2
109.10181	5.7
117.73119	3.6
119.08576	6.8
131.08563	8.8
133.10120	4.3
232.67126	3.9
240.81177	4.1
335.25806	100.0
336.26129	4.3
373.16080	4.0
476.27472	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	477.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
57.03439	4.1
59.87459	0.3
61.02925	1.4
63.62476	0.4
65.03941	4.7
69.03428	4.0
70.65533	0.6
71.01349	0.7
73.02540	0.7
73.02921	10.3
81.03437	0.6
85.02905	8.0
90.61588	0.3
92.05013	2.7
94.94159	0.4
95.04952	1.0
97.02887	5.8
109.02873	0.6
111.04449	2.1
115.03928	5.8
120.04465	79.1
121.03978	3.1
121.04803	1.3
123.04395	2.0
127.03895	2.6
133.05013	2.0
134.00191	0.3
135.04416	0.5
138.05518	0.5
145.04947	2.9
150.07623	0.5
163.03909	0.7
163.06053	0.8
166.04994	100.0
167.05353	2.1
224.97246	0.3
235.83180	0.5
241.07077	0.8
259.08105	0.9
265.98230	0.4
295.10040	0.6
301.35883	0.4
328.10236	8.5
353.86844	0.4
376.44110	0.4
504.41177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	7.1
67.05504	9.7
69.07059	11.2
69.37513	17.2
79.05486	7.4
81.07040	17.5
83.08614	9.3
93.07034	10.9
94.95892	4.5
95.08595	22.3
95.45203	4.7
98.23459	7.8
100.57807	4.6
105.06970	4.9
106.95131	4.9
107.08595	6.2
109.10177	8.9
121.10141	5.2
140.37025	4.9
145.10121	5.4
147.11568	5.1
159.11685	5.1
164.93105	5.9
208.44368	5.2
243.54433	5.2
337.27460	6.3
343.19348	6.8
379.38483	5.1
416.50476	5.9
477.24271	100.0
477.35284	7.6
477.43573	6.9
478.24646	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	477.3192
Annotation	(-)-Asbestinine 2
Peak:m/z	Relative Intensity
57.28952	0.9
70.81187	1.0
79.26263	0.9
80.76462	0.9
95.08598	1.4
98.22672	1.5
110.64691	0.8
158.29889	1.0
181.47162	1.0
262.89804	1.0
308.83643	1.0
445.29248	13.6
465.57574	1.1
477.31870	100.0
478.32166	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	477.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53977	5.0
55.05515	49.1
57.07071	30.8
67.05502	28.5
69.07068	73.9
71.08617	19.7
71.22774	6.1
79.05487	16.9
81.07054	100.0
83.08627	43.0
85.10207	13.4
91.05486	11.7
93.07035	25.4
95.04983	5.5
95.08612	90.4
97.10183	19.8
105.07037	18.3
107.08609	25.1
109.06518	19.1
109.10162	48.8
111.04445	11.2
111.11721	17.8
119.04926	6.0
119.08564	18.9
121.10149	22.5
123.08073	8.0
123.11698	23.9
125.06003	46.4
125.13325	9.3
127.03970	9.8
129.06915	5.2
131.08565	12.6
133.06477	14.7
133.10136	12.9
135.11711	19.7
137.05968	64.2
137.13258	13.1
142.07762	5.5
143.08559	9.0
144.09290	7.3
145.10138	14.5
147.11711	8.9
149.09569	7.4
149.13255	22.4
151.07526	40.6
151.14822	6.1
153.05501	7.0
157.10150	19.6
159.11725	34.8
161.13338	6.7
163.07591	8.3
163.14796	10.8
165.09154	7.4
165.16396	8.6
167.07079	11.5
169.10114	9.7
171.08034	21.6
171.11684	10.6
173.09657	34.1
175.11169	25.8
177.09158	17.7
179.07007	6.7
185.09622	49.0
185.13231	8.1
187.11156	54.3
189.09094	12.7
193.08615	24.3
193.19577	6.1
199.11183	7.7
203.10736	21.0
205.12231	8.7
209.13159	7.4
227.14235	6.5
267.26694	7.8
275.27295	36.1
315.30518	8.5
322.88992	5.8
333.31564	9.6
349.17892	5.8
381.31656	36.3
383.47305	6.2
395.33215	11.2
399.32535	21.2
423.32364	8.7
441.33569	37.5
459.34665	32.7
467.62906	5.9
477.36011	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	5.1
57.07061	6.2
60.17967	3.1
62.71580	3.0
67.05490	10.5
68.50063	2.8
69.07076	9.4
78.13186	3.1
81.07052	14.4
91.05494	7.1
93.07039	9.8
94.74754	3.4
95.08607	13.2
107.08593	11.6
109.10131	8.4
119.08575	5.4
121.10191	5.1
123.11722	4.8
137.09581	7.6
149.09615	7.5
163.14832	4.2
165.09119	100.0
191.10555	4.0
205.12239	8.0
259.24295	5.1
337.27383	6.0
477.31665	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	477.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.4
55.05525	30.8
57.07080	28.7
62.06097	4.1
67.05505	43.9
69.07071	51.2
71.08617	12.7
71.12661	5.2
74.74675	4.0
79.05500	45.2
81.07062	100.0
81.07558	4.8
83.04971	5.9
83.08616	31.3
85.06544	4.0
85.10184	7.7
90.49174	4.1
91.05480	30.3
93.07050	70.8
95.04977	9.9
95.08612	83.5
97.10178	17.9
99.04471	4.4
105.07043	20.7
107.08593	74.0
109.06529	15.0
109.10161	48.1
111.08057	5.4
111.11739	8.9
111.20769	3.9
117.07029	4.2
119.08604	22.1
121.06510	10.6
121.09425	4.9
121.10145	31.4
123.08068	7.1
123.11718	17.1
125.13223	4.9
131.08574	16.7
133.10159	14.2
135.08109	7.0
135.11707	44.4
137.05983	21.2
137.13275	6.2
139.07542	33.2
145.10114	14.4
147.11705	11.3
149.09619	11.6
149.13257	24.7
151.07533	15.3
151.14789	5.9
159.11749	9.3
161.09578	6.2
163.11143	5.0
163.14798	5.5
165.05443	9.0
165.09137	26.4
167.07050	18.2
171.11765	5.4
173.13268	6.3
177.09160	7.6
179.07088	4.4
179.10559	4.7
193.08611	13.1
203.10696	8.9
211.11052	4.1
221.11662	5.9
237.11226	12.1
261.25833	38.0
269.15332	5.2
271.56818	4.2
275.27225	10.9
285.25836	13.6
303.26834	15.7
337.27417	8.4
413.34381	5.5
423.32550	11.9
441.33740	22.7
459.34747	6.9
477.25650	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	478.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.3
55.01870	10.7
57.03439	23.8
59.04996	2.5
59.74712	2.1
60.04519	2.3
61.02931	16.5
67.05499	2.1
69.03064	2.5
69.03433	39.8
69.82331	4.5
71.01340	4.5
71.05006	2.1
73.02920	100.0
75.04482	3.9
79.05493	7.0
81.03416	7.3
81.07056	4.4
85.02909	90.8
87.04475	6.9
91.03952	4.4
91.05489	4.2
93.07049	25.1
93.20338	1.5
93.75411	1.5
95.04939	3.6
95.08615	2.7
97.02894	70.0
98.06043	1.9
99.04443	5.1
103.03960	3.9
105.07036	5.0
107.05005	1.7
107.08601	4.5
109.02877	9.3
111.04448	1.8
111.08065	2.2
114.15883	1.6
115.03934	44.1
117.07021	1.9
119.08614	3.4
121.10146	40.6
123.04433	4.2
123.11714	1.9
127.03918	33.3
133.04976	46.8
139.11182	8.5
143.08539	1.9
144.06592	3.9
145.04968	46.1
145.10107	2.8
149.09621	5.9
150.07576	2.9
161.09653	2.7
162.07666	2.1
163.06033	10.8
167.10677	11.4
171.11728	2.3
175.11179	1.5
180.08693	5.5
182.15251	1.6
191.10664	3.1
193.04897	1.7
199.06044	2.3
199.11194	2.4
209.11752	1.8
217.12251	3.5
223.06015	8.0
227.10767	2.5
233.11760	4.8
237.91035	1.5
241.07072	9.2
242.07430	1.7
245.11786	11.0
253.14423	2.6
259.08093	7.8
263.12756	3.5
277.09061	2.1
281.13763	8.3
317.06561	3.3
359.18918	1.7
463.21304	1.6
478.25156	1.6
479.16190	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	478.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	2.2
54.70630	1.4
55.01865	3.3
55.05499	1.9
55.62011	1.7
57.03436	41.3
61.02935	15.9
65.12952	1.5
67.05519	1.7
69.03429	46.5
70.03284	4.8
71.01350	5.6
71.05022	2.2
73.02916	100.0
75.04482	3.9
79.05498	5.0
81.03428	5.1
81.07044	3.6
84.49684	1.6
85.02899	64.5
87.04461	3.9
91.05482	3.8
93.07044	24.3
95.04962	1.7
95.08601	4.2
96.04469	2.0
97.02892	71.5
98.22812	2.6
99.04425	2.8
103.03900	3.1
104.31172	1.4
105.07040	4.2
107.08607	4.5
109.02894	6.1
111.04452	2.1
111.08080	2.1
115.03117	2.9
115.03922	60.4
115.04704	3.3
119.08619	2.7
121.10146	56.5
123.11752	2.1
127.03903	19.4
133.04965	15.0
133.10161	2.1
139.11153	12.2
140.83997	1.5
144.06583	4.4
145.04948	23.6
145.10129	1.7
149.09634	4.8
161.09608	2.0
162.07576	3.2
163.06049	6.8
167.10657	18.5
180.08681	4.7
191.10680	3.3
215.10904	1.8
223.06020	4.4
236.04181	1.7
238.63551	1.4
241.07138	4.8
245.11865	2.0
259.08118	3.3
266.30389	1.5
281.13699	3.8
295.10245	2.7
301.11926	2.7
317.06512	3.9
321.94940	1.8
329.01028	1.7
455.23230	1.9
458.91302	1.8
478.16632	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	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01874	5.3
55.05503	1.9
57.03437	4.2
57.07082	6.5
61.02928	7.3
67.05499	5.2
68.99787	2.7
69.03061	1.5
69.03430	28.6
69.07064	3.8
69.65253	2.1
71.04999	4.0
73.02917	3.7
79.05495	36.0
81.03418	17.7
81.07053	6.9
83.04979	8.0
85.02906	77.7
87.00832	32.6
91.03932	1.3
91.05473	8.1
93.07044	34.3
95.04970	3.6
95.08606	4.6
97.02892	24.9
97.06519	5.2
99.04457	10.8
105.01870	47.4
105.07029	3.3
107.04945	6.1
107.08598	14.9
108.04491	2.9
109.02880	26.4
109.06515	1.9
109.10158	1.7
111.08113	1.3
115.03942	1.2
117.01845	2.3
117.07047	2.1
119.08605	1.9
120.36769	0.8
121.06512	3.3
121.10142	2.4
123.08099	1.5
125.05987	14.9
125.09555	1.0
126.05504	1.6
127.03917	54.0
129.01846	3.7
131.08582	2.7
133.06578	1.2
133.10130	10.9
135.08080	2.5
135.11691	93.8
136.12053	1.3
137.05995	2.5
139.07549	11.3
145.04958	22.1
147.02884	1.8
147.08131	1.1
149.13246	9.7
153.09114	2.7
153.12762	3.2
159.02884	9.6
159.08038	0.8
159.11679	5.4
160.75838	0.8
167.07010	1.1
176.05817	0.9
177.03944	0.9
177.12746	17.1
181.05006	1.0
183.92819	1.1
189.03957	2.6
189.70789	0.9
195.13803	100.0
196.14133	1.5
198.11263	1.4
208.38251	1.0
209.08018	0.9
213.03903	4.2
213.14832	2.2
231.05009	21.2
232.05281	1.0
249.06082	7.4
275.20038	1.1
286.74652	0.9
303.15714	1.3
341.35574	0.8
393.18753	2.2
407.16800	1.6
425.17758	1.3
435.19946	4.6
460.26962	2.0
477.31198	1.0
478.16864	3.3
478.27954	3.9
479.19275	16.8
479.29706	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	478.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23262	1.5
52.99878	1.2
55.01868	11.8
55.05505	2.8
56.62351	1.3
57.03440	21.3
58.74902	1.3
59.04995	4.1
60.04549	1.7
61.02927	16.5
61.66001	1.2
67.05498	2.5
69.03428	39.9
71.01352	6.2
71.04998	2.2
73.02915	100.0
75.04461	1.8
79.05489	1.6
81.03407	7.1
81.07054	6.4
81.75427	1.4
83.04996	2.1
84.04544	2.0
85.02902	92.1
85.06565	3.5
87.04472	10.1
91.03969	3.1
91.05479	4.3
93.07044	16.6
95.04971	5.5
95.08607	8.3
97.02889	74.7
97.06515	2.1
99.04461	4.6
100.11250	1.8
103.03961	3.0
105.07052	4.7
107.08615	5.7
109.02872	5.4
109.06498	1.5
109.10173	2.0
111.04427	2.7
115.03929	41.1
119.08604	4.5
121.06499	2.6
121.10135	20.1
123.04428	2.2
123.11698	1.7
125.09658	1.7
127.03914	29.5
131.08615	3.5
132.06604	1.8
133.04961	42.0
135.08081	1.5
135.11722	2.6
139.11166	4.8
141.24065	1.5
144.06581	4.0
144.50395	1.4
145.04951	42.4
145.10162	1.9
149.05965	1.7
149.09657	8.2
149.10719	1.3
150.07597	2.4
150.94713	1.3
156.06604	1.4
161.09676	1.6
162.07619	3.1
163.06024	12.4
165.09097	2.3
167.10658	18.1
177.16479	4.1
180.08752	3.9
191.10692	4.1
193.04997	2.7
195.13760	2.4
199.09604	10.8
199.11191	1.9
203.10767	1.7
209.11691	1.7
217.12274	5.0
223.06036	3.6
226.22385	1.8
233.11610	1.8
241.06964	10.0
245.11694	3.5
259.08051	6.8
263.12897	2.4
277.09256	2.0
281.13986	3.8
295.10294	2.0
299.14810	3.3
312.12851	1.8
317.06516	4.5
399.55020	1.6
477.34119	3.8
478.24002	8.3
478.34238	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	478.257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65935	0.3
56.05011	0.6
58.06601	0.6
60.08166	6.4
69.81094	0.3
70.31834	0.5
70.32139	0.5
71.07362	2.5
76.37187	0.4
81.07057	0.8
86.09711	27.7
87.10032	0.4
91.05521	0.5
93.07061	0.5
98.23413	0.4
98.98473	2.2
104.10742	3.8
107.04972	0.5
109.90995	0.4
125.00009	20.5
168.29659	0.4
184.07349	100.0
185.07680	1.1
194.29070	0.3
416.24301	1.1
460.24875	0.8
478.20078	4.3
478.25766	5.2
480.73828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91808	1.7
55.05511	3.7
57.02551	1.8
57.03441	10.1
67.05511	4.0
69.03421	2.8
69.44876	8.2
71.04993	73.3
75.04483	5.2
79.05516	8.7
81.07063	5.4
83.04971	6.9
85.02909	100.0
87.04448	2.8
89.86958	1.8
91.05487	5.4
91.32092	2.3
93.07052	17.3
95.04961	2.8
95.08591	2.8
97.02914	2.7
98.22739	2.4
103.66280	1.9
107.08595	13.2
111.04446	4.7
120.94414	2.0
121.10130	2.4
127.03906	4.4
129.05478	43.6
132.06366	2.2
133.10199	2.1
135.11705	18.4
145.04930	2.5
147.06538	19.2
150.34201	1.8
164.09195	7.0
359.24957	2.0
364.33286	2.0
478.20337	47.6
479.35843	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	478.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43548	2.4
53.03943	5.5
55.01868	5.9
55.05514	19.8
57.03423	4.7
57.07097	2.7
57.17829	2.6
59.04990	2.6
67.05512	18.8
69.03425	12.1
69.07075	35.5
69.25615	16.6
71.04996	9.7
79.05498	23.4
81.03415	11.3
81.07060	56.8
83.04985	5.9
83.08633	12.7
85.02912	20.3
85.06547	28.9
87.00837	9.0
91.05470	16.9
93.07052	44.2
95.04967	7.3
95.08611	67.7
97.02905	5.4
97.10174	7.0
99.04437	4.0
99.08101	9.8
100.11253	7.0
103.86479	2.5
105.01869	7.1
105.07024	9.8
106.29628	2.9
107.04964	4.8
107.08601	37.6
108.30085	2.5
109.02882	7.5
109.10169	25.2
111.08081	5.2
113.09647	15.0
119.08624	4.7
121.06511	4.3
121.10147	78.0
121.10986	5.5
125.09637	5.4
127.03928	10.0
133.10155	4.1
135.08075	2.8
135.11710	15.4
137.05072	2.4
137.05937	14.6
137.13246	10.0
139.11147	4.5
145.04950	5.7
149.13251	33.2
159.02907	4.2
168.06572	6.6
168.17500	4.1
177.16388	100.0
178.16698	3.7
195.13644	2.9
195.17453	47.6
213.18542	3.9
231.05098	2.9
317.35468	3.3
435.19724	5.6
478.28055	10.6
478.39270	13.6
479.18677	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	478.2927
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
52.52067	0.7
55.05513	12.2
57.03433	9.1
57.07070	1.1
61.23332	0.7
64.95290	0.8
65.03921	1.2
67.05161	1.6
67.05504	27.4
69.07061	16.5
70.20213	2.0
70.20564	1.4
79.05495	7.7
81.07052	27.8
83.04993	0.8
83.08607	7.7
86.37287	0.9
91.05489	5.7
93.07032	7.8
95.04940	0.9
95.08598	19.5
97.06531	1.8
97.10181	3.0
98.23360	0.9
100.19757	0.8
105.07017	2.5
107.08588	4.5
109.10159	6.0
119.08566	3.0
121.10136	2.6
123.11719	2.7
133.10118	1.5
135.11678	2.1
139.97989	0.9
143.82159	0.8
147.11632	1.6
149.13254	0.8
150.65935	0.9
161.13298	1.3
175.14842	0.8
197.83070	0.8
306.28003	1.6
337.27350	100.0
338.27716	4.8
347.31314	0.9
358.52887	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
51.60020	0.8
53.03920	0.9
55.01855	1.4
55.05508	11.3
56.92079	0.8
57.03442	4.9
57.07078	1.1
62.06092	25.3
63.96698	0.7
66.52981	0.8
67.05158	1.6
67.05505	26.7
69.07070	12.7
69.43702	3.6
79.05502	8.4
81.07058	24.1
83.04972	0.8
83.08613	6.3
91.05484	3.6
93.07040	7.4
95.04929	0.8
95.08608	18.8
97.10183	1.1
98.06058	3.9
98.98461	6.9
100.65617	0.9
105.07035	3.6
107.08609	3.6
109.10160	6.1
113.29686	0.9
119.08570	3.2
121.10152	3.4
123.11720	2.7
124.01610	1.8
133.10115	2.4
137.13205	1.5
142.02600	1.3
147.11708	1.3
149.13303	1.1
155.01010	5.2
163.14876	0.9
167.14325	0.9
173.02068	1.9
175.14807	1.6
198.05180	1.1
216.06310	2.4
245.22630	1.9
263.23758	5.0
306.27905	39.5
307.28043	1.4
337.27365	100.0
338.27502	3.0
417.24088	1.1
444.82248	0.9
460.28299	4.5
478.29135	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	478.353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	11.3
57.07075	11.3
67.05501	13.0
69.07070	17.2
71.04993	48.2
71.12281	6.1
81.07056	19.9
93.07057	10.4
95.08606	28.1
105.07032	8.2
107.08606	6.5
109.10177	6.2
115.56046	5.2
119.08559	8.9
121.10133	8.3
125.06010	9.2
131.07069	41.8
147.11623	8.0
153.65562	5.9
175.03442	100.0
175.84401	6.9
176.03740	17.6
201.16225	6.5
203.14217	9.1
221.15446	10.3
283.16928	12.4
285.22159	82.1
289.33926	6.0
306.27744	9.7
337.27310	32.6
339.23288	13.2
434.25983	7.5
478.26529	57.3
478.32825	14.4
479.26047	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	478.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13625	0.6
55.05517	3.8
57.03448	0.7
57.07081	1.0
59.08262	0.7
62.06092	100.0
67.05508	8.7
69.07073	3.0
70.29646	1.3
70.29974	1.0
71.05006	1.2
71.08625	1.1
79.05494	8.0
81.07057	8.9
83.05014	0.9
83.08634	1.8
91.05487	6.0
93.07054	6.2
95.05002	1.4
95.08609	6.8
97.10204	1.0
98.06059	1.3
105.07048	3.9
107.08604	5.2
109.10169	2.8
117.07051	1.2
119.08596	3.4
121.10155	5.2
123.11690	1.5
131.08601	1.0
133.10143	2.4
135.11682	4.1
142.86842	0.8
147.11736	2.1
149.13263	3.3
159.11520	0.9
161.13274	2.0
163.14821	1.1
175.14868	0.8
211.91254	0.8
280.01227	0.8
337.27307	0.8
392.35266	1.0
399.36182	4.1
408.38132	2.2
417.37021	0.9
432.62701	0.8
442.40356	3.6
443.40167	1.1
448.41299	1.2
460.35492	1.5
460.41562	19.9
478.42377	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	479.057
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53518	1.7
71.45425	1.9
78.95655	2.2
86.26784	1.6
94.93019	56.9
96.92828	5.8
97.30573	1.9
103.84259	1.6
112.89602	55.6
114.89339	22.7
136.94031	78.7
148.94038	23.5
149.93503	2.4
152.00981	1.8
160.94035	4.6
162.80695	1.8
164.93457	2.3
166.95079	33.5
176.93536	3.8
178.95107	3.2
186.91705	4.6
190.91164	2.7
194.84076	2.1
196.87773	2.6
196.96143	7.3
198.72031	1.9
202.89098	58.7
204.88954	5.9
206.88528	4.4
208.97278	56.6
210.97105	2.5
212.85216	15.0
214.85054	3.3
214.89458	4.6
216.90669	2.8
218.92293	2.6
226.50858	2.0
232.90160	24.5
232.92288	13.6
234.89926	3.3
242.88373	6.7
244.90295	3.7
246.92529	2.0
248.89651	25.1
248.91992	3.1
250.89539	2.3
250.93625	2.5
256.90549	3.3
256.98221	21.1
258.85800	3.5
268.86115	2.1
282.90540	8.6
282.96036	2.9
284.83710	16.5
284.89304	3.1
286.83600	5.0
298.99203	5.0
300.86743	13.2
302.86948	10.0
306.83224	10.2
306.85696	10.4
306.90372	13.5
306.93723	2.3
320.85883	2.3
322.82919	8.2
326.84741	6.4
328.84479	8.6
328.88461	8.0
330.84506	2.2
330.88281	4.7
344.85754	34.3
346.07089	2.0
346.85773	6.4
381.07947	100.0
402.81607	2.5
402.92203	2.7
404.81702	3.9
419.03540	65.8
442.84106	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	479.1188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
54.22940	0.1
55.01868	0.6
55.49076	0.1
56.48314	0.1
57.03439	1.0
61.02927	1.8
65.03953	0.3
68.99802	0.2
69.03429	3.7
69.84803	0.3
71.05009	0.4
73.02918	0.7
74.96767	0.1
81.03416	2.0
81.35702	0.1
83.01350	0.2
85.02904	10.1
87.04478	0.5
87.76403	0.1
91.03948	0.4
92.02623	1.0
93.03410	1.1
97.02892	3.5
99.04465	0.7
109.02884	1.1
111.00837	0.2
115.03971	0.1
121.02870	1.3
122.03732	0.1
126.02370	0.1
126.03129	0.5
127.03907	1.8
133.02869	0.1
135.04500	0.1
137.02359	0.3
138.66519	0.1
139.03870	0.8
145.04951	1.8
150.03172	0.1
151.03911	0.8
153.01820	7.9
163.03947	0.3
165.01825	0.6
166.02617	0.1
171.26863	0.1
173.05981	0.1
177.01805	0.1
177.05498	0.3
182.23003	0.1
183.02910	0.2
200.04721	0.2
201.05493	0.9
203.03462	0.4
217.04915	0.7
218.05713	0.6
219.02892	0.3
228.04132	1.4
228.06149	0.1
229.04961	3.9
230.05481	0.2
231.02739	0.4
238.48683	0.1
239.03195	0.1
245.04449	1.4
246.05252	1.9
247.02467	0.1
247.05553	0.1
256.03745	0.4
257.04446	2.5
258.04883	0.1
260.03149	0.4
261.07559	0.3
267.03101	0.1
271.06070	0.2
273.03915	1.8
274.04715	4.3
275.05130	0.2
279.04840	0.1
284.03284	0.6
285.03928	4.7
286.04352	0.2
287.01926	0.2
288.06308	0.2
301.03506	0.3
302.04199	12.8
303.04510	0.4
317.06537	100.0
318.06915	3.3
345.69031	0.1
359.07480	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.72902	0.1
53.03930	0.5
55.01877	0.7
57.03435	1.0
61.01368	0.1
61.02631	0.1
61.02919	1.5
65.03925	0.2
68.99792	0.1
69.03423	3.4
69.84951	0.2
71.04979	0.4
73.02908	0.5
73.55573	0.1
75.11080	0.1
81.03412	1.7
83.01361	0.1
85.02898	10.2
85.58704	0.1
87.04453	0.5
91.03944	0.5
92.02637	0.7
93.03409	1.1
97.02887	3.6
98.23375	0.2
99.04452	0.6
102.05863	0.1
105.04443	0.1
109.02872	1.1
111.00810	0.2
121.02840	0.6
126.03113	0.3
126.83965	0.1
127.03925	1.9
135.26628	0.1
137.02333	0.2
139.03894	0.9
145.04964	1.9
145.16849	0.1
150.03065	0.2
151.03908	0.7
153.01813	7.5
154.02167	0.2
163.03862	0.2
165.01863	0.7
173.05945	0.2
177.05533	0.2
183.02847	0.1
183.04381	0.2
184.75394	0.1
187.03999	0.1
200.04723	0.2
201.05441	0.8
203.03365	0.5
204.04170	0.1
211.03926	0.2
217.04936	0.9
218.05721	0.5
219.02966	0.3
228.04156	1.4
229.04956	3.3
231.02881	0.2
239.03465	0.2
245.04422	1.4
246.05196	1.9
247.02017	0.1
256.03665	0.3
257.04419	2.5
260.03195	0.3
261.07733	0.2
271.06104	0.2
273.03900	1.8
274.04712	4.4
284.03159	0.4
285.03909	4.5
288.06189	0.2
301.03418	0.3
302.04184	12.3
303.04407	0.5
317.06519	100.0
318.06851	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	479.1187
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
50.44242	0.1
55.01829	0.2
57.03407	0.2
60.77922	0.1
61.02886	0.5
63.32024	0.1
65.03937	0.1
68.99770	0.2
69.03432	1.3
70.06565	0.3
71.04975	0.1
73.02879	0.3
81.03378	0.5
85.02901	3.5
86.09677	0.2
87.04418	0.2
91.03931	0.2
92.02632	1.0
93.03407	1.1
97.02903	1.2
99.04407	0.2
107.04941	0.3
109.02827	0.4
115.03932	0.2
120.08070	0.2
121.02881	1.0
122.03674	0.2
126.03099	0.5
127.03905	0.8
129.10255	0.1
135.53261	0.1
137.02344	0.3
139.03879	0.9
145.04922	0.6
147.27087	0.1
151.03883	0.9
153.01822	8.4
154.02161	0.1
163.03867	0.3
165.01833	0.5
166.02490	0.2
177.05501	0.2
187.03845	0.1
200.04637	0.3
201.05447	0.9
203.03351	0.5
204.04161	0.2
215.59026	0.1
217.04962	0.7
218.05721	0.6
219.02953	0.2
219.68207	0.1
227.46109	0.1
228.02449	0.1
228.04224	1.6
229.04964	3.7
231.02840	0.4
232.03928	0.1
243.06537	0.2
245.04480	1.2
246.05222	2.1
256.03690	0.4
257.04434	2.4
260.03168	0.5
261.07498	0.3
271.05960	0.3
273.03897	2.0
274.04700	4.6
275.05185	0.2
284.03271	0.5
285.03922	4.6
286.04385	0.4
287.02277	0.1
288.06293	0.2
301.03406	0.2
302.04196	14.0
303.04517	0.6
317.06534	100.0
318.06873	3.7
329.06662	0.3
359.07553	0.3
479.32034	11.7
480.32260	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	479.1527
Annotation	Pilosidine
Peak:m/z	Relative Intensity
70.97960	0.7
72.08160	0.5
77.11040	0.5
86.09711	0.5
120.08161	0.5
136.07732	0.5
143.26387	0.4
145.48465	0.4
168.04391	0.5
185.05775	0.9
269.46732	0.5
317.08423	3.2
347.11084	1.8
479.15219	100.0
480.15460	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	479.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01878	2.1
57.03436	41.6
59.04998	2.7
60.04523	1.6
61.02924	16.5
69.03428	37.3
69.03803	2.1
70.30450	1.9
71.01363	4.5
71.04993	2.7
72.04533	1.0
73.02917	100.0
73.05154	0.8
76.08403	0.8
81.03419	3.8
85.02904	71.3
87.04476	4.0
91.03970	4.7
96.04490	1.7
97.02891	54.3
99.04456	2.9
103.03915	1.6
109.02848	5.0
115.03931	60.1
124.44674	0.9
127.03912	22.7
132.06560	4.4
133.04964	16.8
144.06606	1.3
145.04958	32.9
150.07620	15.3
163.06018	10.7
180.08623	5.3
187.07571	1.3
192.06587	1.3
193.04985	1.9
206.45422	0.9
223.05968	5.1
234.07623	4.5
241.07077	7.9
254.43062	1.0
259.08127	6.4
264.08722	1.0
276.08676	1.1
285.05728	1.1
295.10229	8.3
347.14453	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41888	0.9
66.59954	1.0
67.05534	1.2
69.03430	1.7
70.15514	0.9
70.15844	1.8
73.02911	4.1
77.03963	1.0
85.02921	5.6
87.62217	0.8
97.02888	1.5
106.42747	0.8
106.97086	0.8
107.04962	0.9
107.08576	1.4
123.04438	3.3
123.21256	0.9
127.03964	1.2
129.39911	0.8
133.10149	1.0
139.03882	1.1
153.01823	4.7
156.83682	0.9
163.03952	2.3
169.25500	0.9
192.24452	1.0
229.05009	1.9
231.13603	2.6
245.06480	1.3
271.04266	2.0
273.57056	0.9
274.04642	2.2
285.04044	3.0
289.05624	2.0
291.14600	1.0
302.04327	6.3
317.06561	55.0
318.06866	2.7
393.18768	8.7
435.19836	22.7
435.25705	1.7
479.18903	100.0
480.19196	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	479.189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.5
67.05495	0.7
69.03439	0.7
71.05023	0.6
75.57809	0.5
78.72531	0.5
79.05508	1.2
85.02899	1.5
85.46129	0.5
86.03197	0.6
87.00888	0.5
93.07065	0.8
98.77583	0.4
100.11275	0.7
105.01861	1.0
105.07001	0.8
107.08612	1.1
107.50056	0.5
109.06530	0.5
109.10175	0.6
111.08170	0.6
123.08030	1.3
127.03914	0.7
131.08499	0.6
133.10147	1.9
135.11676	0.9
136.11993	0.7
145.10106	0.5
145.52438	0.5
154.76300	0.6
173.13301	0.6
195.13905	0.9
196.14211	1.6
203.05373	1.0
211.18939	0.5
213.12511	1.6
231.13615	5.0
245.06421	2.1
252.44260	0.5
259.13019	1.3
289.05319	5.3
375.17804	1.0
393.18851	9.8
435.19907	23.9
436.20251	1.3
451.56052	0.6
479.18903	100.0
479.30106	3.8
480.19284	5.2
488.72342	0.5
500.46011	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23302	1.0
60.34167	1.2
68.57108	1.0
69.03440	2.7
69.07047	1.2
69.37120	1.0
70.86013	1.3
85.02905	8.2
85.06530	2.1
86.09698	4.0
91.05445	1.1
97.02908	2.9
99.04448	1.1
107.08626	1.6
119.08732	1.2
121.10127	1.6
145.04947	1.1
153.01842	3.7
168.65916	0.9
173.13266	1.8
203.05331	2.3
229.04953	2.1
231.13635	2.3
245.06410	5.5
271.04282	1.3
273.03815	1.3
274.04898	1.6
285.04114	1.3
289.05304	49.0
290.05649	1.4
302.04126	5.4
317.06555	61.5
318.07114	2.2
393.18839	3.4
435.19873	14.6
479.18887	100.0
480.19278	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	479.2988
Annotation	Tupichigenin B
Peak:m/z	Relative Intensity
57.07072	2.7
69.00009	0.6
69.07076	0.9
69.68797	2.2
69.69139	1.3
71.08634	0.8
79.10812	0.7
81.07076	1.2
84.62027	0.8
85.10196	0.9
86.23034	0.7
95.08628	1.2
98.23539	0.6
99.28416	0.8
106.05168	0.8
109.10220	0.9
123.37614	0.7
128.70786	0.7
130.38895	0.7
159.09529	0.7
194.98633	1.1
195.00323	15.0
199.23186	0.7
285.24313	3.1
317.06601	1.0
387.25256	1.4
393.22507	10.3
422.36035	0.8
461.28741	33.8
462.29062	1.3
479.29828	100.0
480.29749	4.8
487.00864	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	5.5
59.75067	2.3
67.05503	10.6
69.07057	10.0
69.54256	10.2
79.05484	5.6
81.07051	14.8
81.93861	2.3
83.08605	5.4
91.05504	2.9
93.07018	3.3
95.08589	12.2
97.10149	3.4
105.07024	2.3
107.08581	3.7
109.10149	8.7
119.08575	3.7
121.10181	3.3
123.11671	2.2
133.10165	2.5
137.09613	7.3
142.80983	2.1
149.09570	6.8
165.09116	100.0
177.09093	4.8
179.10718	2.8
187.11339	2.9
205.12206	6.8
338.27676	4.0
371.86514	2.4
377.26660	3.1
406.94446	2.6
425.33920	2.8
443.35260	4.5
479.20999	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	480.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92382	1.4
53.30896	1.1
54.38374	1.3
55.01885	1.3
57.03437	2.4
61.02924	4.9
65.03934	1.5
69.03427	12.7
70.06615	1.3
71.04996	7.3
73.02917	2.8
79.05486	3.1
81.03423	4.3
84.04496	1.3
85.02907	39.3
86.09686	1.1
87.04459	1.9
91.05480	16.0
95.05007	2.8
97.02892	13.3
99.04453	1.7
99.85223	1.1
102.04696	3.2
103.05492	3.4
105.07053	1.1
107.04961	14.5
109.02888	3.2
109.06483	1.1
115.03947	1.4
117.03403	1.9
119.04946	17.5
120.08139	2.2
121.06502	2.1
122.03670	1.7
123.04434	21.8
127.03909	7.9
129.05508	2.3
130.04129	5.3
131.04926	10.7
133.02885	1.5
133.06451	1.8
135.04413	23.4
135.05342	1.7
136.05179	7.3
137.05978	100.0
143.04927	1.3
145.04968	5.4
145.06512	1.9
147.04413	58.9
148.05197	34.2
149.05981	24.1
151.03896	1.7
152.07126	3.1
153.01820	2.6
154.08644	1.4
161.05965	7.6
162.06749	1.3
163.03914	7.7
165.05528	2.8
169.02618	5.7
173.00555	1.8
173.05957	5.9
177.10161	1.1
179.07025	1.3
185.02130	3.9
188.57317	1.2
191.08577	2.0
205.05025	1.3
209.09692	1.6
237.09262	1.5
243.10304	1.8
265.08566	4.4
271.09619	27.1
283.09644	34.4
284.09933	1.3
287.05432	1.4
301.10687	78.8
302.10870	2.6
318.13351	88.7
319.04413	5.5
319.13638	3.1
335.03818	4.3
378.33511	1.3
462.17410	3.4
480.18652	45.1
481.18948	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61134	3.1
53.03925	3.6
55.01856	4.7
57.03437	51.9
59.04990	3.2
61.02925	17.8
69.03070	3.5
69.03432	68.1
70.65649	4.5
71.01337	4.9
73.02921	88.8
78.98773	2.6
81.03412	9.3
85.02408	4.1
85.02908	77.2
87.04484	6.7
91.03963	6.2
91.04942	4.4
91.05485	60.3
91.59946	2.8
97.02894	100.0
97.95621	2.8
99.04436	8.2
103.03953	5.6
107.04953	22.5
109.02895	5.4
115.03937	81.5
119.04947	71.2
121.06502	23.8
127.03910	39.4
133.05002	20.8
133.06494	10.6
136.07594	19.7
137.05992	17.0
145.04953	44.2
145.06502	7.4
147.06520	4.6
149.06007	4.6
150.07562	5.5
151.07545	41.2
157.06508	5.7
161.05972	21.8
163.06018	17.4
163.07407	4.1
173.04503	6.9
173.05995	18.5
175.07571	6.5
185.06001	5.9
187.07533	6.6
197.05910	4.4
199.06001	3.8
203.07042	8.7
222.09196	2.7
223.06032	8.0
233.08025	8.8
241.07034	11.2
245.08096	6.0
251.09155	18.6
259.08127	19.3
263.09076	9.7
268.09677	31.4
281.10193	13.0
295.10168	24.2
298.12799	11.3
300.12170	9.0
426.11526	2.8
430.16742	6.5
462.17487	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	480.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27758	1.8
53.03958	2.5
55.01877	6.0
56.03889	1.8
57.03439	44.4
58.86896	2.2
61.02934	15.8
69.03430	63.6
71.01363	5.7
71.04990	2.8
71.21365	3.0
72.59238	1.7
73.02918	89.7
74.12193	2.0
78.80889	1.6
81.03420	16.6
83.67254	1.9
85.02905	83.6
87.04476	5.5
91.03968	5.0
91.05482	52.0
91.06059	2.5
96.95341	2.0
97.02897	100.0
99.04469	6.7
101.02401	2.6
103.03962	5.0
104.05661	1.8
105.07024	2.3
107.04955	22.2
109.02903	6.0
111.04451	2.6
115.03941	82.5
119.04948	60.8
121.02787	1.6
121.06488	11.0
121.84797	1.7
126.58363	2.0
127.03917	40.5
129.05470	2.4
131.03442	3.7
133.04970	21.4
133.06471	10.3
136.07588	16.8
137.05995	11.4
140.70546	1.8
145.04974	46.6
145.06494	7.1
147.06544	3.2
147.08087	2.4
149.06010	4.3
150.07600	4.5
151.07552	45.9
157.06517	4.4
159.08038	1.9
161.05997	17.4
163.06027	13.2
163.07260	2.1
169.05086	2.1
169.06509	3.2
173.04497	5.4
173.06027	16.3
175.07562	5.8
177.05457	3.1
185.06013	6.2
187.07553	6.3
199.07736	1.9
203.07051	10.8
215.07065	6.2
216.00282	1.9
217.08733	2.3
223.06099	6.8
227.07033	3.1
233.08083	7.2
241.07034	11.9
245.08182	3.4
247.14491	1.8
251.09177	18.2
259.08124	19.3
263.09213	8.6
281.10175	16.3
295.10287	25.6
298.12833	11.8
309.09668	2.2
349.89386	2.0
369.31683	2.2
377.12207	3.1
395.13446	2.5
430.17065	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
57.03435	52.7
59.04982	3.8
61.02935	12.8
69.03429	56.9
69.30128	12.8
69.30412	3.2
71.01357	5.2
71.05013	3.5
73.02917	90.6
81.03423	13.9
85.02905	84.2
87.04479	10.5
91.05481	52.7
91.06050	2.9
96.37778	2.2
97.02890	100.0
99.04470	6.5
103.03963	3.3
105.02056	2.3
107.04955	21.4
109.02870	12.6
115.03935	89.4
119.04951	61.2
121.02783	2.8
121.06525	10.9
127.03904	39.9
133.04979	22.7
133.06517	11.7
136.07574	18.6
137.06018	9.6
145.04982	43.6
145.06461	7.5
147.06577	3.0
147.08110	3.5
149.05994	2.9
150.07614	5.1
151.07538	43.7
157.05055	2.7
157.06512	4.6
161.05966	18.7
163.06047	15.6
163.21939	2.5
167.46515	2.6
173.04449	7.1
173.06017	19.8
178.37532	2.2
181.06395	2.5
185.06021	4.9
187.07585	7.3
193.04913	2.5
199.07642	3.6
199.09486	2.3
203.07039	9.3
215.07050	4.4
223.06055	9.3
227.06815	3.2
233.08107	7.2
241.06975	12.0
245.08177	6.4
247.10179	2.5
251.09160	22.3
252.09653	2.6
259.08127	17.5
263.09222	11.0
281.10196	15.1
295.10187	19.3
298.12943	9.2
342.29709	2.8
377.12708	3.3
430.17059	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	480.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	21.1
59.05009	9.5
61.02941	7.1
67.05505	10.1
69.03436	69.8
69.07065	36.4
69.73316	7.9
71.04987	7.1
73.02921	4.4
79.05500	3.6
81.07055	34.0
85.02904	55.3
87.04462	46.7
87.92800	3.3
93.07044	5.4
95.08632	14.5
97.02903	68.5
109.10163	10.7
115.03936	91.5
121.06553	4.9
121.10182	4.5
123.11700	44.3
127.03930	7.9
133.04976	100.0
133.10127	4.5
145.04951	11.1
151.11166	40.5
169.12190	6.1
193.48204	3.6
197.15428	4.4
206.99539	3.4
247.13383	6.2
283.15475	6.6
313.16641	4.8
395.19894	4.0
437.21259	19.4
480.19147	9.2
480.25183	8.6
481.20361	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.01873	13.0
55.05525	2.0
57.03439	26.5
57.07076	1.8
59.05002	3.5
60.04534	1.7
61.02930	19.5
64.69515	1.5
67.05489	4.2
69.03431	47.8
69.07070	61.1
69.32155	4.3
71.01366	5.7
71.04994	3.5
73.02919	97.5
79.05502	1.9
79.64063	1.0
81.03418	7.7
81.03828	1.2
81.07060	18.8
83.05006	1.9
85.02908	100.0
85.06524	1.2
87.04459	5.2
91.03957	4.2
91.05489	1.1
93.07056	1.7
95.04992	1.2
95.08621	3.3
97.02897	83.4
99.04453	6.3
103.03955	3.8
105.07050	1.2
107.08546	2.7
109.02876	8.1
109.06546	1.9
109.10165	9.4
115.03938	47.0
121.06538	3.7
121.10156	2.3
122.81757	1.0
123.11713	85.4
127.03920	33.8
133.04971	44.0
133.10196	1.6
144.06587	3.0
145.04964	45.1
147.04434	3.2
151.11185	77.3
156.06519	1.6
162.07596	2.2
163.06009	15.0
169.05017	1.4
169.12271	10.9
180.08804	2.2
181.04962	1.6
193.04955	3.3
199.05989	2.7
217.06985	2.7
223.05957	8.1
241.07079	8.6
259.08197	9.2
265.14456	3.0
277.09149	2.8
283.15396	32.2
290.52173	1.2
294.11743	1.5
295.10263	1.4
313.16473	3.0
335.19586	2.1
480.19110	2.6
500.68253	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52061	3.1
52.85044	4.0
61.51102	3.3
65.68591	4.0
67.05511	19.5
69.07069	29.5
71.04977	4.1
77.85073	4.1
79.05502	13.6
81.03423	33.7
81.07043	12.7
82.45561	3.1
82.77750	3.4
83.04969	6.7
91.05472	24.0
93.07048	25.3
95.04966	9.2
95.08601	26.4
97.06564	7.5
105.04565	3.7
105.07047	11.3
107.04960	50.8
109.06506	4.3
109.10183	8.4
117.07009	4.7
119.04957	7.1
119.08581	7.7
121.06510	5.3
129.07016	5.0
131.08565	11.5
133.06529	7.4
133.10135	6.7
135.04430	4.3
135.08057	5.1
137.05965	30.9
137.09607	3.6
147.04427	11.5
149.09622	42.8
157.10184	6.5
159.11696	8.5
161.05882	4.0
161.09724	4.6
165.85529	3.9
175.11212	5.5
185.09790	3.6
222.93846	3.4
223.13350	3.4
229.12271	16.2
235.13452	4.7
273.18521	6.6
291.16275	5.2
291.19540	100.0
309.16074	5.3
340.05817	4.0
386.15277	4.0
427.24899	4.1
445.21503	11.1
445.51892	3.5
463.22540	24.1
480.14249	7.5
480.25177	79.2
481.14856	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	480.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68679	0.4
50.68950	0.5
55.05512	0.5
61.61080	0.5
67.05505	1.4
70.14923	1.4
79.05481	1.6
79.56155	0.5
81.07055	0.7
91.05469	3.3
92.80678	0.5
95.04981	0.8
98.22807	0.6
103.05492	0.8
104.10754	1.9
105.07005	0.8
106.04200	0.7
107.04961	6.0
108.05730	2.7
109.06547	1.2
109.10175	0.6
117.07049	0.7
121.06512	2.5
131.04903	0.8
133.06483	1.1
135.04387	1.5
135.08052	1.3
136.05211	4.9
137.05968	2.2
138.06728	1.1
139.07520	0.6
143.08556	0.8
145.06529	0.8
146.07280	1.0
147.08049	2.1
148.05206	5.1
149.06020	0.6
150.06816	0.8
151.07542	100.0
152.07881	1.5
159.08067	0.9
160.08850	0.8
160.32260	0.5
161.06024	3.1
161.09613	0.8
163.07584	3.8
164.08295	0.8
165.05493	0.7
165.09108	5.1
166.06247	9.5
167.07027	3.0
172.08844	1.0
173.05948	1.2
175.07503	1.3
176.08287	2.0
177.09131	9.0
179.07074	0.5
179.10713	0.9
180.07913	0.9
181.08595	57.3
182.08899	0.8
184.07359	1.3
187.07556	1.3
188.08315	2.2
189.09082	3.8
190.09912	1.2
191.07176	0.9
191.10645	4.5
193.08592	2.6
194.09352	0.8
195.10173	2.5
201.09142	1.4
202.09940	2.4
203.10674	4.9
205.08630	0.8
207.10110	2.9
214.07152	0.6
216.11440	1.4
217.12241	3.5
219.10246	0.7
221.11681	1.8
233.11748	1.6
235.13365	0.6
247.13310	1.8
251.12796	0.7
275.10910	0.6
280.97330	0.5
339.15881	1.1
353.17511	1.9
354.18237	3.0
355.84500	0.6
370.17737	10.8
371.49918	0.5
383.24112	0.8
385.20096	33.0
386.20471	1.4
403.21152	16.8
480.22922	0.8
501.44250	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3085
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
53.06062	0.8
55.05514	12.3
57.03216	0.8
57.03441	7.2
57.07077	5.7
67.05508	8.8
69.06715	1.0
69.07069	18.4
69.61604	2.4
71.08615	2.8
76.73299	0.8
79.05502	4.3
81.07051	12.3
83.08625	10.7
85.10181	1.8
86.09691	2.7
93.07066	6.0
95.08611	10.3
97.06532	1.9
97.10185	6.8
98.02026	0.8
99.08093	0.9
107.08587	3.4
109.10168	4.9
111.08059	1.2
111.11673	1.5
121.10159	5.4
123.11668	1.0
124.99986	1.7
125.09604	0.9
135.11696	3.8
149.13283	1.9
153.50470	0.8
163.14795	1.0
208.82863	0.8
265.25250	1.5
308.29456	1.6
339.28928	100.0
340.29477	4.0
340.33078	0.9
368.28070	0.8
411.20529	0.8
439.17664	2.2
457.19080	1.2
480.27563	1.0
480.33578	5.2
485.50003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.5
56.05038	1.3
57.03450	3.1
57.07074	1.5
58.06628	1.7
60.08168	16.9
60.08467	1.1
67.05508	10.7
69.07072	4.5
69.10053	4.5
70.06605	1.9
71.05006	0.7
71.07381	6.1
79.05496	6.0
81.07056	10.3
83.08645	1.7
86.09708	45.9
91.05479	2.4
93.07046	6.8
95.05000	0.7
95.08600	6.6
97.06542	1.2
97.10186	0.7
98.22702	1.6
98.98479	2.9
104.10746	97.8
105.07037	2.0
105.11090	1.7
107.08598	4.0
107.71851	0.6
109.10146	2.3
117.00481	0.7
119.08548	0.9
121.10117	3.2
123.11731	1.0
125.00005	25.2
125.00938	1.3
129.61426	0.6
130.72314	0.7
131.08575	0.8
135.11684	2.0
146.11746	1.2
146.98183	35.4
163.03899	9.6
163.05098	1.1
166.45210	0.7
184.07343	100.0
207.06526	10.0
258.10883	1.2
297.24176	0.8
300.29013	3.7
335.25809	9.3
337.26196	2.0
337.59131	0.7
338.26965	0.9
339.26648	1.7
357.24066	3.5
434.17484	0.6
462.29858	8.1
480.30942	32.6
481.23434	15.9
481.30627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05518	2.7
56.05029	1.1
57.03434	1.1
57.07079	1.0
58.06613	1.0
60.08164	18.0
67.05502	4.3
67.90823	0.3
69.07070	1.8
69.28888	1.8
70.06593	1.3
70.15178	0.4
71.07370	6.7
71.08623	0.6
79.05492	2.7
81.07062	4.0
83.04927	0.4
83.08628	1.9
85.06551	0.6
86.09708	50.4
87.06033	0.3
87.10081	0.6
88.07623	1.5
89.38049	0.4
90.75407	0.4
91.05484	0.8
93.07048	2.1
95.04923	0.4
95.08619	2.5
97.06536	1.2
97.10152	0.5
98.98478	3.6
102.09193	0.7
104.10745	100.0
105.07039	0.9
105.11050	0.8
107.08574	1.9
107.41726	0.4
109.10161	1.4
119.08549	0.6
121.10149	1.5
123.11615	0.4
125.00006	27.6
129.05458	0.7
133.10136	0.4
135.11699	1.0
146.98172	6.4
148.34100	0.3
162.47871	0.3
163.01682	0.4
163.03888	1.7
164.04321	0.3
176.99268	0.4
181.02631	0.9
184.07344	93.4
185.07719	1.0
207.06552	1.7
222.86969	0.4
256.26459	1.9
258.11035	1.1
297.24280	0.5
309.24069	0.4
335.25748	1.2
377.07007	0.4
377.26431	0.5
393.26001	0.7
437.20395	0.7
439.17667	0.8
457.18497	0.6
462.29880	8.5
463.30237	0.7
480.30838	32.5
481.23337	26.5
481.30661	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73977	0.4
55.05499	0.4
56.05036	0.5
58.06608	0.7
60.08163	5.3
66.92018	0.4
67.05507	0.7
69.07051	0.7
70.00464	0.7
70.00783	0.4
71.07381	2.7
81.07060	1.0
82.10098	0.4
86.09708	28.6
90.20984	0.4
93.07054	0.5
97.06519	0.5
98.23437	0.4
98.98463	2.7
104.10740	2.6
107.63037	0.4
109.11125	0.3
125.00006	19.5
125.00941	0.9
126.27578	0.3
127.41532	0.4
135.11758	0.4
151.45093	0.3
182.83629	0.4
184.07346	100.0
185.07677	0.9
338.97122	0.4
349.30267	0.4
395.98996	0.4
406.17249	0.5
462.30182	0.6
480.31079	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	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60651	0.6
53.03920	0.5
53.21938	0.5
55.01892	0.7
55.05260	0.8
55.05511	12.8
56.91702	0.5
57.03443	6.9
57.07080	6.8
58.83225	0.5
62.06078	1.7
67.05503	10.0
69.07066	18.5
69.28508	2.0
69.28918	0.8
71.05005	0.6
71.08618	2.5
73.77171	0.6
79.05492	4.4
81.06622	0.8
81.07059	9.7
83.08620	12.2
83.33312	0.5
91.05485	1.0
93.07043	6.2
95.08605	10.4
97.06521	2.0
97.10154	6.5
98.06053	1.2
98.23457	0.8
98.98486	1.0
107.08578	3.7
109.10149	4.8
111.08079	1.1
111.11713	1.1
118.33049	0.6
121.10126	5.8
123.11703	1.3
123.61422	0.6
124.01629	0.7
135.11699	3.8
139.11191	0.7
149.13274	1.5
155.00967	0.7
156.95236	0.6
163.14842	0.8
178.66515	0.6
216.06192	0.6
222.08733	0.7
247.24194	1.0
252.06587	0.6
265.25095	0.7
308.29468	26.7
309.29645	1.4
339.28934	100.0
340.29205	3.8
344.72604	0.6
480.21558	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05511	13.5
57.03448	3.4
57.07089	5.7
60.05659	3.9
62.06090	25.8
65.84568	1.1
67.05509	11.0
69.07069	19.2
69.66362	1.0
70.58410	1.1
71.08636	3.4
72.40440	1.2
78.99117	1.2
79.05482	3.1
81.07062	12.7
83.08636	10.4
85.10203	2.1
93.07045	5.4
93.23029	1.2
95.08604	12.9
97.10168	7.3
98.98460	5.6
107.08603	3.3
109.10152	3.9
110.77599	1.0
111.11720	1.8
121.10171	4.4
124.01606	1.6
131.05222	1.1
135.11687	5.2
149.13257	1.1
155.01077	7.6
161.22096	1.1
175.46071	1.5
198.05339	1.7
216.06372	2.6
265.25293	5.3
308.29434	12.6
339.28934	100.0
340.29318	4.3
419.25510	2.7
462.29819	5.5
480.31046	1.5
481.15042	2.6
481.23251	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	480.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05258	1.5
55.05508	16.3
57.03188	0.8
57.03438	12.1
57.07074	8.2
59.54209	0.9
66.76550	0.8
67.05503	13.1
69.07063	25.5
69.07439	1.3
70.06580	2.3
71.04987	1.4
71.08639	5.3
72.08150	54.0
78.99174	0.9
79.05492	7.5
81.06623	1.4
81.07056	16.3
83.08624	14.0
85.06546	1.5
85.10168	2.5
86.09713	1.4
88.07661	1.3
91.05477	1.6
93.07049	9.4
93.23401	0.9
95.08599	14.3
97.06507	3.0
97.10162	7.4
107.04976	0.9
107.08568	5.2
109.10133	3.3
111.08011	1.3
111.11699	2.5
121.10130	8.3
123.11716	1.4
125.09625	1.4
132.60327	1.1
135.11696	4.9
137.13243	1.6
138.96815	1.3
149.13235	2.3
156.80118	0.9
156.97832	1.0
163.03957	1.6
170.05768	63.7
184.07317	1.1
195.00287	6.2
196.00591	1.2
207.06456	1.6
237.22063	1.4
268.26941	1.0
274.24277	1.0
286.24548	2.0
311.25778	100.0
312.26108	3.1
325.23001	0.9
421.16803	3.0
422.26022	1.0
480.23669	1.9
480.33231	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	480.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
56.05024	0.7
57.03439	0.4
57.07069	0.5
58.06585	1.2
59.70839	0.2
60.08164	11.5
67.05502	1.8
67.28380	0.2
68.05819	0.5
69.07068	2.1
69.20142	1.7
70.78844	0.2
71.07371	4.0
71.08614	0.3
72.08138	0.4
75.04433	0.3
79.05496	0.6
81.07040	1.6
82.07381	0.4
83.08610	1.4
86.09704	24.6
91.05492	0.4
93.07063	0.5
95.08601	1.3
96.08916	0.5
97.10160	1.0
98.23418	0.5
98.98463	3.4
104.10739	100.0
105.07009	0.3
105.11070	0.6
107.08582	0.3
109.10167	0.4
121.10162	0.3
123.11687	0.3
124.99995	14.3
184.07338	13.4
274.84103	0.3
337.27347	1.3
338.27536	1.3
339.27972	5.1
464.97519	0.3
480.34485	29.0
481.34729	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99388	0.4
55.05508	2.0
56.05035	0.7
57.07077	1.0
58.06593	1.1
59.61971	0.4
60.07871	0.7
60.08164	13.2
67.05506	0.9
67.81549	0.4
69.07078	2.7
69.71564	0.7
69.71912	1.4
70.06568	0.5
71.07378	3.9
72.08157	6.8
79.05473	0.7
81.07049	1.2
83.08616	1.3
86.09708	27.7
95.08600	1.2
97.10208	1.0
97.90727	0.4
98.06109	0.6
98.22740	0.8
98.98462	2.9
102.71683	0.4
104.10742	100.0
105.07046	0.4
109.10156	0.7
121.10168	0.5
125.00005	15.7
133.10133	0.5
163.03908	1.3
165.09242	0.4
170.05739	0.6
183.67795	0.4
184.05676	0.8
184.07335	16.3
191.49638	0.4
207.06586	1.8
235.93640	0.5
306.27997	0.9
307.28531	0.8
308.28500	2.6
311.25842	1.1
319.64194	0.4
339.28110	1.8
409.27509	0.5
439.17883	0.6
480.34512	30.1
481.34833	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1115
Annotation	Cryptocyanin
Peak:m/z	Relative Intensity
54.46200	1.1
56.96569	2.4
67.05494	2.3
69.07070	1.9
69.21163	6.7
79.05507	1.3
81.07034	3.0
83.08595	1.4
84.96048	1.5
85.02894	2.8
95.08634	1.4
97.02882	1.2
98.97591	13.2
105.01819	1.7
105.07053	2.0
110.97551	5.1
116.98606	7.2
121.06562	1.2
128.98599	4.8
146.99710	1.7
170.99747	1.5
177.07927	1.5
179.14372	1.3
197.15419	1.5
201.00812	2.3
219.01799	7.1
237.02823	10.2
246.14792	2.1
254.04739	6.3
264.13126	2.3
269.06970	2.3
272.05548	2.5
283.04581	1.7
293.06955	2.1
305.43652	1.2
308.15659	1.6
310.07184	1.5
311.08017	3.9
338.96838	1.5
365.08810	1.5
395.10205	8.6
413.11218	11.5
437.12033	11.7
463.27289	1.2
480.25247	2.5
481.10922	100.0
481.18628	4.3
481.25897	31.4
482.11005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.132
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
51.33216	0.6
52.68350	0.5
60.08157	0.5
66.82038	0.5
70.06608	0.9
71.47055	0.7
85.02906	0.8
96.12673	0.5
133.06430	0.5
135.04378	0.5
149.05980	0.6
151.03886	0.6
155.34000	0.6
161.06009	0.5
163.03889	1.1
166.01511	0.5
177.05608	0.5
215.06766	1.8
217.04704	1.2
227.05315	1.6
232.04732	1.0
232.07065	16.1
233.07803	5.6
239.12003	0.5
271.04193	2.9
293.09131	1.0
367.00916	0.6
395.13193	3.2
415.01129	0.7
437.14191	27.4
438.14444	1.0
481.13074	100.0
482.13242	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.132
Annotation	Unknow
Peak:m/z	Relative Intensity
67.35132	0.3
71.45827	0.4
85.02910	0.6
85.58421	0.3
91.05540	0.4
105.07048	0.5
108.03616	0.3
123.43760	0.5
126.99989	0.6
159.11719	0.4
162.05490	0.6
167.03207	0.9
177.05307	0.4
185.04236	0.9
227.05267	3.1
232.07088	1.1
233.07837	6.8
260.47849	0.4
271.04251	5.8
372.83881	0.4
388.98035	0.5
395.13107	5.3
397.49738	0.4
437.14182	28.2
438.14594	0.8
481.13174	100.0
482.13449	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	481.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	14.5
58.13840	0.6
69.40281	0.7
69.85079	0.9
69.85387	1.4
82.18779	0.7
84.96034	7.7
98.97585	61.1
110.97572	14.7
112.99138	2.2
116.98627	22.2
124.99136	2.5
128.98619	14.0
134.99669	4.0
136.07707	0.8
137.14668	0.7
140.00237	1.1
140.98608	6.0
143.00162	10.7
144.98036	3.9
146.99649	4.9
147.04387	1.6
152.98601	10.1
155.00208	1.1
158.99658	11.7
161.01256	8.4
162.99144	2.5
167.00156	0.8
170.99658	10.2
173.01189	1.3
173.04916	1.4
177.00742	7.1
182.99661	0.9
185.01105	0.8
186.00790	0.8
189.00729	4.2
191.05928	1.6
195.01839	1.0
201.00714	3.4
209.01291	1.4
215.05992	1.0
218.99617	1.5
219.01775	25.8
227.05795	1.1
232.07106	4.0
233.07687	1.6
237.02811	36.0
239.87643	0.9
255.03952	2.5
260.04413	0.9
271.04196	1.1
275.07993	20.1
275.10812	1.3
293.09073	100.0
294.09357	3.3
311.10144	9.8
316.10669	2.6
335.10071	5.2
338.96652	0.8
347.10120	11.1
347.14023	1.2
349.11786	2.0
361.11731	16.7
363.13144	4.5
377.10999	1.5
385.11652	5.4
395.12979	1.4
403.12656	4.3
421.13812	20.9
437.14157	7.3
439.14908	15.2
481.14603	30.5
482.13956	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46053	0.4
55.05473	0.9
67.05469	1.2
69.03410	0.6
69.07039	0.9
71.04974	0.7
71.27118	0.5
79.05453	1.6
81.07001	1.2
91.05443	2.0
93.07050	3.2
95.08620	2.5
97.39384	0.5
101.00877	0.5
105.06483	0.4
105.07029	4.1
107.08607	3.9
107.64883	0.4
109.10186	0.4
113.09630	0.6
116.55402	0.4
119.01878	1.2
119.08583	4.7
121.10098	0.7
123.11672	0.5
133.10138	5.8
135.10797	0.5
135.11693	3.3
137.05977	0.6
143.01892	0.7
145.10034	0.6
147.08025	0.4
159.08049	0.9
161.03018	0.7
175.14784	1.1
185.04292	0.6
187.00847	0.4
203.05307	1.8
227.05182	0.9
233.15361	1.1
245.06381	5.6
271.04312	1.2
287.03757	1.4
289.05304	100.0
290.05759	2.3
338.96722	0.6
437.21570	1.9
463.19458	2.4
481.20520	44.2
482.21027	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96535	0.7
67.05502	1.0
69.07077	0.8
71.25050	0.6
81.97571	0.6
83.08611	0.6
95.08596	1.0
105.07018	0.8
120.08014	0.7
121.06519	1.0
124.11242	1.3
125.11597	0.6
137.05986	0.7
142.95786	0.7
177.07878	4.6
178.08231	1.9
192.06824	0.6
233.15152	2.8
246.14839	1.1
247.15109	1.1
248.16479	2.7
319.98279	0.7
336.08328	0.6
377.19199	0.8
395.20468	10.3
419.20450	1.3
437.21463	31.0
438.21558	1.4
481.20395	100.0
482.20291	3.6
482.26685	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
81.07047	0.8
85.02906	0.9
89.89925	0.4
93.07055	0.6
95.08627	0.6
100.11237	0.5
105.07034	0.4
107.08573	0.8
116.00217	0.4
119.08548	0.6
121.06500	0.8
123.11692	0.7
145.10139	0.4
170.15376	0.8
182.15486	0.5
210.14908	0.5
233.15099	6.7
243.04625	0.5
261.14395	0.5
267.07672	0.4
271.04160	0.7
287.03741	0.6
289.05173	0.7
349.23392	1.0
377.19104	0.5
377.23270	0.6
395.20425	7.9
437.21469	39.5
438.22009	1.5
481.20428	100.0
482.20822	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	481.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.4
81.07047	0.8
85.02906	0.9
89.89925	0.4
93.07055	0.6
95.08627	0.6
100.11237	0.5
105.07034	0.4
107.08573	0.8
116.00217	0.4
119.08548	0.6
121.06500	0.8
123.11692	0.7
145.10139	0.4
170.15376	0.8
182.15486	0.5
210.14908	0.5
233.15099	6.7
243.04625	0.5
261.14395	0.5
267.07672	0.4
271.04160	0.7
287.03741	0.6
289.05173	0.7
349.23392	1.0
377.19104	0.5
377.23270	0.6
395.20425	7.9
437.21469	39.5
438.22009	1.5
481.20428	100.0
482.20822	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	481.205
Annotation	Longicornin A
Peak:m/z	Relative Intensity
51.48890	0.8
53.31845	0.6
55.05506	1.5
61.74283	0.7
67.05504	1.7
69.07069	2.5
71.46388	0.7
79.05479	1.2
81.07052	3.1
83.08585	1.4
85.02889	0.8
89.83192	0.9
91.05486	1.5
93.07032	1.8
95.08612	2.5
95.61436	0.7
97.77282	0.7
105.07041	3.2
107.08598	1.7
109.10187	0.8
119.01942	0.7
119.05015	0.6
119.08585	7.3
121.10155	2.0
123.11731	2.1
127.00066	0.8
127.03919	0.8
133.10135	3.6
137.06009	1.0
143.01996	0.8
147.11746	0.8
157.03468	0.8
172.35561	0.8
175.14890	2.1
185.04227	0.8
203.05299	2.0
206.33646	0.7
215.41719	0.7
227.05222	0.9
233.15175	1.6
245.06366	6.5
271.04294	1.7
287.04007	1.2
289.05307	23.1
338.96719	1.5
377.19348	1.5
395.20279	1.1
419.20328	6.8
437.21436	9.6
463.19412	74.2
464.19647	2.5
481.20410	100.0
482.20496	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	481.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54518	1.2
55.05513	7.0
57.03434	3.4
57.07092	1.5
59.04992	5.0
65.03941	2.0
67.05505	93.3
68.05843	1.7
69.07058	2.0
70.58656	1.5
71.05002	3.1
79.05509	2.5
81.07066	10.5
83.08611	6.1
85.06533	2.3
91.05474	6.6
93.07043	4.3
95.05002	1.3
95.08620	5.8
96.48466	0.9
98.98457	5.9
107.08601	3.4
109.10158	78.9
110.10533	1.2
111.08117	3.8
119.08564	6.2
137.09636	4.0
155.01076	3.8
155.10623	5.1
173.11736	18.8
229.14328	8.4
303.01099	1.0
309.10834	5.5
338.96826	2.0
383.24286	100.0
384.24417	6.9
475.11298	1.3
477.67841	1.1
481.24194	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	481.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17234	0.3
70.03526	0.8
86.37437	0.3
112.87875	0.4
215.35858	0.4
243.42548	0.4
299.86523	0.4
338.96777	0.7
481.26227	100.0
482.26654	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32341	2.8
60.43695	2.5
62.96886	3.1
69.49957	12.4
79.98636	2.5
81.07053	6.9
91.05476	4.1
95.08614	6.7
107.04983	5.0
127.44512	2.7
137.05974	3.9
149.02319	3.7
151.11201	7.3
162.05524	7.0
262.14542	3.2
293.21143	9.0
392.25955	2.9
399.18060	3.1
417.19266	5.0
441.19263	83.8
442.19644	4.5
459.20279	100.0
460.20706	4.2
482.21228	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	11.7
55.05515	7.5
57.03439	18.6
61.02923	11.9
62.88557	4.8
64.12202	4.4
67.05512	8.0
69.03438	29.4
69.07070	11.1
71.01373	4.9
73.02921	47.3
79.05507	10.4
80.18179	4.7
81.03399	5.5
81.07054	25.3
84.08089	4.4
85.02907	92.6
86.09719	9.1
87.04491	4.3
91.05487	20.0
93.07040	74.8
94.85632	4.6
95.04976	7.5
95.08598	17.1
97.02891	55.5
99.04436	7.0
103.03930	6.5
105.07049	8.9
107.08591	100.0
109.02860	7.7
109.10178	10.4
110.07164	7.4
111.04373	5.3
115.03944	33.7
119.08581	11.8
119.40679	4.9
120.08151	6.8
120.89317	5.1
127.03935	28.7
133.04971	53.4
133.10133	7.6
135.11713	70.0
137.13322	6.6
145.04945	41.2
147.04431	6.4
153.12784	19.7
163.06039	18.4
178.42203	5.1
184.07346	10.3
193.05045	6.1
223.06055	9.4
234.39980	5.7
241.07193	9.0
259.08209	15.4
266.16953	5.0
277.09378	6.0
285.17282	5.6
295.10297	9.2
298.66202	5.3
373.96027	5.2
383.79398	5.1
423.58270	4.8
448.24277	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36244	0.8
53.03949	4.8
55.01874	5.9
55.05514	7.0
57.03430	3.5
57.07076	12.6
59.04995	2.8
61.02914	3.0
61.54059	0.9
69.03432	18.9
69.07068	52.4
69.31410	3.3
71.05003	6.3
71.08631	8.7
73.02898	4.4
73.06562	10.1
77.50063	0.9
79.05486	0.8
81.03423	16.7
81.07033	1.2
83.01337	1.1
83.08633	2.2
85.02911	51.5
85.10192	5.0
86.03257	0.9
87.00832	26.7
89.06033	24.9
93.07058	1.4
97.02895	31.8
99.04453	9.2
99.11749	1.7
105.01871	34.5
109.02885	16.0
111.04416	1.1
111.11720	77.4
115.03947	1.3
117.01841	2.6
121.06517	5.3
127.03920	39.6
129.01819	1.8
129.12759	100.0
130.13089	1.9
145.04959	22.3
147.02945	1.5
159.02872	7.3
172.03746	1.3
173.04482	3.1
180.11932	1.0
199.16930	16.9
213.03995	1.6
217.18010	18.2
231.05011	13.4
249.06148	4.3
359.17059	2.2
464.25482	1.2
467.65021	0.9
482.25543	6.7
493.30472	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01873	7.9
55.05508	16.0
56.94600	4.6
57.03448	5.3
57.07087	10.0
61.02933	4.9
63.90064	4.4
69.03427	16.5
69.07069	56.8
69.49107	13.8
69.49516	7.7
71.05008	6.8
73.06519	8.8
81.03415	13.1
81.07036	4.4
85.02899	63.8
87.00830	26.4
89.06020	27.1
93.07014	4.7
95.45029	4.6
97.02889	34.0
99.04444	6.6
100.11254	9.5
105.01888	41.4
105.07058	4.8
109.02870	20.4
111.11715	90.8
121.10142	4.5
127.03912	40.4
129.12758	100.0
145.04951	20.6
151.58739	5.4
159.02855	6.6
199.15147	5.1
199.16966	20.6
217.17984	22.1
231.04938	7.4
330.02011	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	482.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	39.6
59.04993	2.8
60.04505	3.8
61.02928	15.7
65.00603	2.3
67.60491	2.7
69.03432	47.8
69.07071	16.7
69.80118	6.1
71.01353	5.9
71.91853	2.4
73.02920	100.0
81.03429	5.6
81.07059	8.8
83.08630	3.6
85.02907	67.7
87.04489	5.3
92.76035	2.2
93.07027	4.4
95.08617	8.4
96.04520	2.9
97.02890	71.2
97.03485	5.1
99.04436	2.8
105.01870	5.0
107.08603	5.3
109.02920	6.4
109.10194	5.1
111.11726	9.2
115.03938	72.7
127.03914	28.0
133.04993	18.3
135.11650	6.8
144.06569	10.6
145.04944	24.5
150.07629	5.6
153.12730	24.3
162.07614	6.7
163.06081	8.4
163.14880	3.3
171.13803	41.4
180.08652	11.8
181.15901	4.7
199.16963	9.3
223.06108	5.1
231.05048	3.1
234.15686	3.6
234.37004	2.3
241.07024	7.6
259.08136	5.9
267.16022	3.6
294.11786	7.0
379.15894	2.6
483.21732	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	482.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79619	1.3
53.03945	1.6
55.01880	10.1
55.05513	2.0
55.61777	1.2
57.03439	22.1
58.48814	1.4
59.05005	3.1
60.04528	1.9
61.02928	14.2
64.39212	1.3
67.05518	1.7
69.03431	36.7
69.07056	11.3
69.30116	6.3
71.01365	4.7
71.04988	1.9
73.02919	100.0
79.05498	1.6
81.03417	7.6
81.07058	6.1
83.08611	3.1
84.04516	1.7
85.02906	85.0
87.00851	1.5
87.04466	4.7
91.03952	2.5
91.52206	1.3
93.07050	3.7
95.08624	4.2
96.04485	1.6
97.02895	65.2
97.06537	3.1
99.04476	4.7
99.55743	1.2
100.21739	1.2
103.03970	3.3
105.07040	1.9
107.08620	4.2
109.02904	8.2
109.10173	4.6
111.11742	7.2
114.05515	1.5
115.03934	38.7
115.04705	2.5
119.08580	1.3
125.13216	1.6
127.03921	35.0
131.08615	1.2
133.04973	42.5
135.11719	3.3
139.04012	1.6
144.06612	6.4
145.04961	43.4
145.06085	2.6
150.07605	7.7
153.12749	20.0
162.07622	3.6
163.06012	13.0
167.05865	1.2
171.13808	26.3
180.08699	7.8
189.12811	2.3
199.06134	1.4
199.16972	3.0
200.98323	1.4
203.14336	1.4
207.13867	1.9
217.07034	2.6
223.06015	8.2
241.07111	9.5
249.14963	6.5
259.08109	10.7
267.15778	3.1
269.70013	1.3
276.10846	2.8
277.09152	2.4
285.16803	2.3
294.11951	3.8
295.10257	2.7
312.12790	1.8
396.20755	2.5
438.21817	14.7
482.20749	28.0
482.27112	2.5
483.21982	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.4
57.07068	5.5
64.47532	1.6
67.05511	15.8
69.07067	6.9
69.47683	7.4
71.04952	2.2
71.08639	10.9
79.05485	6.1
80.94846	1.6
81.03413	13.2
81.07063	10.1
83.05004	3.2
85.06559	2.8
89.51676	1.5
91.05489	23.1
93.07053	14.4
95.04967	14.1
95.08611	23.2
97.06548	2.7
98.23443	2.9
99.08110	7.9
105.07034	7.1
107.04965	7.6
107.08582	5.5
109.06505	3.1
109.10154	5.5
117.07015	4.1
119.04962	7.7
119.08591	7.2
121.06512	3.1
121.10156	5.5
123.04406	2.7
123.08056	2.0
131.08568	5.5
133.06493	6.2
133.10133	5.0
135.04405	3.7
135.08040	2.8
135.11719	2.3
137.05992	43.8
137.09619	4.6
139.11205	1.6
141.09102	2.4
145.10132	3.5
147.04398	6.9
147.11673	2.0
149.02330	6.2
149.03441	2.2
149.06006	2.0
149.09630	8.8
151.11185	100.0
159.11705	4.6
161.05989	5.8
161.09633	3.5
163.11160	2.0
165.12804	3.0
177.12686	8.8
187.11186	2.2
191.14325	2.6
193.04961	9.6
231.13721	8.5
237.07576	11.9
257.19083	2.1
275.19946	8.7
291.19586	14.2
293.21115	91.3
294.21292	2.1
347.46765	1.9
411.25281	1.8
429.26297	2.5
436.28116	2.0
447.22580	6.3
464.24991	3.0
465.23795	17.6
482.15512	3.4
482.26334	78.6
483.26752	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	482.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96286	5.1
56.96565	78.7
67.05505	4.2
69.47611	12.1
72.96069	3.7
79.05523	3.3
84.96014	2.8
86.18487	2.5
91.05485	4.3
95.04939	2.6
107.08604	3.0
137.02730	4.5
137.05994	5.3
151.11191	4.5
163.03966	4.8
177.05942	2.6
195.06889	5.3
209.08568	3.7
219.07198	2.6
231.06902	3.9
231.10464	3.0
245.08540	4.4
245.12292	3.1
249.11639	4.7
263.09552	3.8
293.21146	4.4
315.19943	9.7
316.31488	3.5
329.18176	3.0
333.20984	12.7
341.18008	9.0
359.18909	24.7
367.17694	5.4
377.15207	4.7
377.19998	68.5
378.20084	6.1
382.20520	5.1
395.21082	100.0
396.21045	5.5
400.21539	13.6
413.22092	45.1
414.22266	5.0
418.22656	48.4
423.18124	7.8
436.23734	63.8
441.19223	82.7
441.24265	7.2
442.19592	7.1
453.16470	4.1
459.20206	35.7
459.25793	5.2
464.20163	3.2
482.21667	8.6
482.27490	5.7
482.33746	3.8
483.23184	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	482.2906
Annotation	Cytochalasin IV
Peak:m/z	Relative Intensity
67.05492	2.0
79.05473	2.9
80.85399	1.5
81.07058	4.2
91.05473	3.0
93.07032	5.3
95.08583	3.0
105.07050	9.3
107.08607	5.8
109.10155	1.8
119.08569	8.5
120.04456	6.4
121.10175	4.1
125.05986	3.2
133.10080	4.2
136.07623	1.8
137.05989	1.7
145.10107	2.9
146.05969	3.0
147.11729	2.1
148.03935	64.1
149.02390	9.6
150.05544	4.9
152.07106	3.0
156.08040	1.9
162.05476	5.3
175.14836	3.0
180.06566	60.6
180.08150	3.3
181.07236	2.2
193.04999	13.0
202.08830	1.6
237.07588	14.3
248.12865	5.2
260.12823	20.2
262.14545	2.4
316.19110	2.2
328.19168	3.9
330.20825	1.7
436.28491	100.0
437.28735	6.3
464.27997	65.9
464.34735	2.5
465.28485	3.9
482.29160	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	482.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
57.03442	10.4
57.07077	40.0
59.69059	0.5
67.05508	8.7
69.06719	0.6
69.07070	7.2
70.06596	1.9
71.05015	0.8
71.08635	24.2
72.08158	64.5
79.05504	1.0
81.07063	11.5
83.08624	8.1
85.09694	0.9
85.10184	15.1
86.09663	0.6
89.06019	2.9
93.07053	0.8
95.08015	1.0
95.08611	13.5
97.06514	0.5
97.10182	3.8
98.22692	1.1
99.11752	0.7
99.91915	0.5
103.07575	1.5
104.10778	0.6
109.10146	7.6
117.09081	0.8
121.10101	0.6
123.11723	2.9
125.13184	0.5
131.73706	0.5
137.13277	0.9
145.10052	0.6
170.05779	61.5
184.07355	0.9
239.23764	1.7
244.09366	0.8
257.24759	2.4
311.25894	1.0
313.27374	100.0
314.27780	3.2
329.46732	0.5
344.10004	0.5
395.27744	1.2
403.03235	0.5
450.50076	0.6
482.34595	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	482.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05033	0.5
57.03428	0.4
57.07076	1.0
58.06372	0.1
58.06625	0.3
59.07386	0.1
60.08163	6.3
67.05502	0.3
69.07059	0.2
71.07375	2.7
71.08624	0.6
73.08518	0.1
74.57310	0.1
79.05492	0.1
79.50076	0.1
81.07064	0.2
81.09515	0.1
83.05019	0.1
83.08631	0.1
85.10192	0.3
86.09705	27.9
93.07043	0.2
95.08601	0.3
98.98456	2.6
104.10738	2.9
107.08584	0.2
109.10164	0.2
120.28359	0.1
123.11791	0.1
125.00001	19.7
136.38124	0.1
143.01060	0.2
184.07336	100.0
185.07674	0.8
258.11084	0.2
299.25867	0.4
313.26395	0.2
422.64230	0.1
464.31369	1.2
482.32425	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	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.8
56.05036	1.2
57.07079	2.9
58.06602	1.8
60.07867	1.1
60.08166	18.4
67.05499	1.9
69.07063	0.7
71.07375	6.2
71.08619	1.7
81.07041	0.9
85.10193	1.2
86.09709	48.3
93.07017	0.5
95.08589	1.8
98.98455	2.6
104.10745	100.0
109.10185	1.0
125.00008	28.0
128.37946	0.6
146.98213	0.7
181.96661	0.6
184.07343	98.0
185.07806	1.1
206.40346	0.5
258.11014	0.9
299.25790	2.8
394.39697	0.6
464.31418	8.9
482.32440	36.6
483.32800	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3246
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
55.05506	4.4
57.03439	4.3
57.07078	64.1
62.06090	26.5
67.05499	4.6
69.07076	8.3
69.19166	3.7
71.08634	51.9
72.04517	1.3
73.06562	1.9
81.07064	5.2
83.08606	4.7
85.10183	30.7
87.04469	1.2
89.06032	69.0
95.08604	8.1
97.10180	4.8
98.22679	1.1
98.98466	6.8
99.11726	5.3
107.07095	1.2
109.10168	3.6
111.11744	4.2
113.13301	4.1
117.09159	2.2
123.11723	1.7
124.01583	1.0
125.13290	1.8
127.14832	2.1
133.08606	45.1
142.02640	1.2
145.31502	0.6
151.09694	0.8
155.00995	6.3
158.07323	0.7
172.13698	0.6
173.02048	0.9
177.11214	19.1
183.21010	1.7
195.12280	2.4
198.05258	2.2
203.10600	0.7
216.06322	3.6
221.13916	2.9
227.23686	0.8
239.14873	2.3
248.41760	0.6
266.37762	0.7
267.26868	1.5
271.26276	4.1
283.17532	30.9
310.31100	10.5
315.28961	3.1
341.30511	100.0
342.30792	2.6
377.32654	1.0
379.31796	5.9
395.26175	1.0
395.31296	17.9
395.36230	1.3
421.27194	6.7
421.35291	1.2
464.31494	3.5
465.37869	30.8
482.32404	1.1
482.38257	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	482.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34226	0.2
55.05513	0.7
56.05036	1.0
57.03433	0.9
57.05820	0.8
57.07075	3.8
63.72746	0.2
67.05497	0.6
69.07073	1.2
69.24313	0.1
69.78969	0.5
70.06592	3.2
71.08627	2.5
72.08152	100.0
73.08488	0.5
81.07060	1.0
83.08619	1.2
85.10177	1.6
85.78366	0.2
89.06010	0.2
90.09190	4.3
95.08591	1.5
97.06499	0.2
97.10176	0.8
104.16629	0.2
109.10159	0.6
111.11732	0.2
121.10102	0.2
123.11669	0.2
150.63295	0.2
160.01990	0.2
170.05762	6.2
184.07281	0.2
193.25522	0.2
239.23572	0.2
244.09497	1.2
311.25781	2.9
313.27347	24.2
314.27676	0.6
447.24634	0.3
464.31293	3.4
482.32452	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	482.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01872	2.0
55.05511	13.6
57.03432	4.1
57.07073	17.8
60.08182	1.5
62.49263	1.4
62.76271	1.3
67.05505	24.1
67.46055	1.2
69.03429	1.3
69.07066	42.7
70.00497	1.2
71.05000	3.1
71.08637	12.9
77.03920	2.1
79.05495	31.9
81.03429	4.9
81.07066	21.3
81.31191	1.4
83.04980	4.4
83.08625	10.4
85.06527	1.6
85.10172	9.0
86.09689	2.4
89.06032	20.3
91.05487	23.3
93.07046	36.5
95.04967	15.5
95.08603	19.7
97.06550	6.3
97.10159	10.6
98.98456	10.1
100.98679	1.3
104.10733	9.0
105.04509	2.5
105.07029	22.0
107.04958	21.3
107.08578	15.8
109.06536	4.0
109.10165	8.5
111.11710	2.8
117.07015	3.2
119.08567	23.5
121.06536	2.9
121.10143	15.2
123.08091	1.6
123.11684	2.5
131.08560	8.4
133.08626	11.7
133.10129	17.9
135.08060	19.6
135.11688	3.1
137.09593	2.6
139.11186	6.3
145.10117	7.0
147.07965	1.4
147.11703	6.3
147.97710	1.2
149.09613	6.4
155.01035	5.3
155.08438	1.9
157.10060	1.4
159.11760	3.3
161.13245	2.0
163.11195	1.6
165.33983	1.3
171.11745	1.3
173.13257	3.0
177.11224	5.6
177.12697	1.6
181.08386	3.3
183.13882	3.0
184.07335	3.1
187.14816	2.1
201.12862	1.7
203.12782	14.4
207.13824	3.1
219.13837	2.2
223.16925	2.0
237.14819	13.9
257.18945	6.6
275.20059	100.0
276.20349	2.4
283.17496	12.5
293.21085	77.5
294.21442	2.6
311.25742	24.4
315.28354	1.5
447.24988	4.9
465.37833	8.0
482.35825	3.8
483.30884	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	482.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.2
56.05032	0.7
57.03426	0.7
57.07077	1.8
58.06591	0.8
60.08165	11.6
62.27199	0.2
66.21023	0.2
67.05496	0.5
69.07066	0.3
69.58186	1.0
70.06588	0.6
71.07375	4.0
71.08634	1.4
72.08156	15.6
75.04474	0.8
81.07074	0.4
83.08624	0.3
85.10165	0.8
86.09706	26.6
87.10030	0.3
90.09185	0.5
95.08574	0.3
97.10161	0.3
98.23494	0.3
98.98471	2.7
104.10743	100.0
104.21166	0.2
105.11047	1.1
112.51978	0.2
125.00002	15.3
170.05740	1.0
184.07346	16.1
185.07913	0.3
238.17548	0.2
250.42381	0.2
313.27332	3.0
341.29498	0.4
464.31375	0.7
482.36108	29.0
483.25180	0.2
483.36487	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.3
57.07076	51.2
69.07083	5.5
69.52827	4.1
71.08633	50.5
71.82117	1.0
73.06554	3.3
83.08620	2.7
85.10181	31.2
85.18224	0.9
87.04475	2.1
89.06033	100.0
97.10167	3.5
99.11734	5.0
107.07051	1.2
111.11699	1.6
113.13264	7.1
117.09134	2.9
118.79838	0.9
127.14851	3.6
133.08606	62.2
141.44762	1.1
151.09627	1.7
177.11209	28.1
183.21112	2.2
195.12317	3.6
202.71707	1.0
221.13878	4.0
227.23767	2.4
239.14839	4.2
271.26382	8.4
283.17532	37.8
315.28958	4.0
341.30515	3.2
421.35245	2.5
465.37869	43.3
466.38162	2.5
482.40613	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.8
55.81205	1.0
57.07075	67.8
59.91378	1.1
69.07071	6.0
69.23551	6.2
71.08633	54.5
73.06557	3.7
77.19695	1.1
83.08612	3.7
85.09694	2.1
85.10181	35.3
87.04465	2.5
89.06032	100.0
97.10164	3.0
99.11726	7.5
107.07081	2.0
111.11718	4.2
113.13300	6.9
117.09109	2.2
125.13248	3.1
127.14836	3.8
130.08646	1.5
133.08606	59.7
177.11223	28.2
183.21071	1.7
195.12289	4.2
221.13866	3.9
239.14824	3.7
265.16559	1.3
271.26273	5.2
278.06610	1.1
283.17514	37.8
315.28943	3.0
377.32666	1.6
387.06885	1.4
465.37872	41.6
466.38211	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	483.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06588	1.1
71.05000	0.9
71.46449	0.8
84.08109	0.9
84.52354	0.7
85.02917	1.3
86.09715	1.7
90.71996	0.9
105.07046	0.8
106.79703	0.9
109.14249	0.7
112.07562	1.0
125.76598	1.0
133.10190	0.9
161.09753	0.9
175.03648	1.7
182.15494	1.4
184.07420	1.2
185.04140	1.0
210.14946	1.6
211.85452	1.0
235.06967	0.8
285.20462	1.1
331.09885	6.9
337.09021	3.3
377.89505	0.9
483.14716	100.0
483.21417	5.7
484.15085	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	483.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.8
71.45564	0.7
81.03397	0.9
81.07053	2.0
90.81595	0.7
95.08574	1.4
96.37425	0.7
104.53948	0.7
105.07036	1.2
119.08553	0.9
125.06018	0.7
145.02866	1.3
159.11731	0.9
163.03940	1.1
185.04248	1.1
228.10184	1.7
229.06818	3.1
289.05258	3.5
317.08414	49.7
318.08664	1.5
424.24677	1.0
483.18274	100.0
484.18567	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	483.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36228	0.7
67.23824	0.7
69.22742	0.7
69.77264	1.3
69.77643	2.1
79.48332	0.7
81.07056	1.2
85.02888	0.9
85.99354	0.7
95.08604	1.4
109.10172	0.8
120.08118	0.9
164.07071	1.0
185.04309	1.0
198.40216	0.7
229.06873	1.7
285.22083	1.5
317.08438	40.1
325.40741	0.7
424.24905	0.9
440.38608	0.8
445.56738	0.8
483.18365	100.0
484.18683	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	483.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91299	0.5
69.82836	1.6
86.26241	0.4
91.05458	0.7
105.07034	0.7
109.80092	0.5
121.10125	0.7
133.10118	1.2
161.86751	0.5
177.05652	0.5
178.17616	0.5
185.04266	0.5
209.66122	0.5
229.06845	1.5
260.02979	0.5
317.08426	33.9
318.08844	0.7
483.18359	100.0
484.18423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91299	0.5
69.82836	1.6
86.26241	0.4
91.05458	0.7
105.07034	0.7
109.80092	0.5
121.10125	0.7
133.10118	1.2
161.86751	0.5
177.05652	0.5
178.17616	0.5
185.04266	0.5
209.66122	0.5
229.06845	1.5
260.02979	0.5
317.08426	33.9
318.08844	0.7
483.18359	100.0
484.18423	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40910	1.5
55.01875	2.0
65.00640	2.7
65.05598	1.4
65.21028	1.2
69.04546	10.8
70.84178	1.3
73.02923	2.0
95.01093	2.4
114.55865	1.4
116.99261	55.8
117.40710	1.4
119.01676	2.9
119.08539	2.6
121.22388	1.3
137.02696	10.7
159.00896	2.8
159.54541	1.3
165.96669	1.2
174.62891	1.2
180.99060	100.0
186.48724	1.4
218.99005	1.5
281.51837	1.3
347.19623	27.6
419.21683	28.1
423.25497	2.8
483.21478	38.0
484.22079	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75950	0.5
55.06367	0.6
58.32497	0.6
70.58949	1.0
79.16033	0.6
79.21029	0.7
81.07064	0.7
119.08591	1.0
121.10140	0.9
143.90819	0.6
217.15904	0.8
235.16980	1.1
303.23270	0.7
321.16736	2.0
338.97113	0.7
483.21967	100.0
484.22177	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	483.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08537	0.6
69.03450	0.5
73.02947	0.8
83.39645	0.5
85.02902	1.0
86.09624	0.5
95.08608	0.6
107.39183	0.5
161.00220	0.6
203.05257	1.0
224.49416	0.6
259.07944	1.1
265.08441	0.5
303.23300	0.9
321.16751	1.4
359.55417	0.6
483.22037	100.0
484.22330	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05511	22.6
57.03439	7.3
57.07076	10.0
67.05502	2.9
69.07063	23.9
71.08630	4.8
73.28800	0.6
79.05478	1.6
81.07050	4.4
83.08121	1.1
83.08620	20.8
85.10183	1.9
86.09716	1.3
93.07044	3.7
95.08594	2.7
97.06526	2.9
97.09590	1.1
97.10173	14.3
98.98461	8.8
104.10753	3.9
105.11047	0.8
107.08596	2.2
109.10147	1.4
111.08077	1.0
111.11679	3.2
121.10117	2.5
125.09650	1.1
125.16771	0.6
135.11681	2.0
149.13251	0.9
155.01028	6.2
173.02025	1.2
194.64027	0.6
233.28275	0.6
237.22052	1.6
245.05457	0.7
247.05746	0.8
263.95819	0.6
280.59497	0.7
311.25784	100.0
312.26016	3.7
395.89346	0.6
444.98843	0.7
447.25043	2.7
483.35779	1.3
492.67130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01867	1.2
55.05260	1.4
55.05515	23.4
57.03439	9.9
57.07080	11.8
67.05495	5.3
69.06712	1.6
69.07071	27.4
71.08638	8.2
72.08157	40.3
73.08485	7.7
79.05486	3.1
81.07059	6.1
83.04986	1.1
83.08621	21.4
85.10194	2.5
90.09197	1.7
91.19769	0.7
93.06992	3.8
95.08599	3.9
97.06516	2.7
97.09595	1.3
97.10174	16.9
98.98477	9.7
107.08578	3.1
109.10139	2.0
111.08062	1.0
111.11728	2.8
121.10162	3.3
125.09675	1.0
125.13269	1.4
130.93285	1.0
135.11679	2.4
155.01030	4.7
170.05759	3.2
184.07324	2.6
209.21780	0.7
229.04741	1.1
237.22107	1.6
303.10489	0.9
311.25797	100.0
312.26181	4.5
313.27368	2.3
314.27762	9.0
441.19568	1.3
447.24930	3.4
465.31781	1.9
483.15210	2.2
483.35248	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14555	0.6
55.05260	1.1
55.05514	16.1
57.03223	0.7
57.03447	8.5
57.07090	5.4
60.08179	0.9
67.05510	13.2
69.06709	1.3
69.07073	20.0
69.77961	2.4
70.06597	2.2
71.05000	1.8
71.08633	3.2
74.02470	0.7
79.05497	6.6
81.07061	15.8
83.04996	1.0
83.08622	13.3
85.06533	1.1
85.10190	1.0
86.09716	0.8
91.05479	1.4
93.07044	8.8
95.08604	11.9
97.06524	2.1
97.10171	7.2
98.23537	0.7
98.98478	9.0
104.10770	0.9
104.99265	0.8
105.07027	0.8
107.08604	5.3
109.10168	5.2
111.08069	1.4
111.11726	2.2
112.59146	0.6
112.59943	0.7
116.07090	2.2
121.10156	6.3
123.11671	1.4
125.00028	0.7
125.09662	1.0
133.10138	0.7
135.11729	6.1
137.13298	1.6
139.11201	1.2
141.86896	0.6
143.75284	0.7
146.98177	3.9
149.13268	2.0
155.01022	3.1
155.47966	0.6
155.79460	0.7
163.14792	1.2
164.92091	2.4
173.02145	1.4
207.17094	0.6
219.21112	1.6
237.22058	1.2
311.25806	100.0
312.26126	4.8
337.27219	1.3
341.20441	1.0
346.09351	0.7
395.27634	1.0
396.28076	2.2
423.19516	2.9
441.20700	1.6
447.24786	1.3
483.24887	11.9
483.35287	14.2
483.41653	4.9
484.25003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.05507	11.2
55.55605	2.3
57.03432	3.8
57.07073	3.2
59.05003	2.8
61.02930	5.2
67.05503	11.0
69.03434	17.6
69.07061	14.6
70.56820	2.1
73.02917	5.9
77.03936	2.3
79.05499	17.5
81.03409	7.6
81.07056	44.5
83.04965	3.8
83.08613	14.0
85.02913	43.0
91.03997	3.3
91.05479	16.4
93.07050	19.8
95.04973	5.1
95.08612	36.7
95.41796	2.9
97.02892	16.3
97.06522	4.3
97.10182	3.9
99.04462	3.6
100.50672	2.5
105.07026	32.1
107.04954	4.7
107.08591	27.2
108.96549	2.2
109.02880	5.4
109.06496	8.6
109.10139	18.4
111.08060	3.4
117.07008	2.4
119.08595	54.3
121.06508	54.7
121.10142	26.5
123.08080	7.1
123.11716	7.6
127.03921	10.9
129.07033	2.6
131.08604	4.6
133.06516	3.5
133.09174	3.8
133.10136	40.4
135.08046	12.7
135.11700	10.1
137.09601	2.8
137.13263	4.1
138.67346	2.5
142.07767	3.5
143.08560	6.7
145.04935	7.0
145.10126	9.8
147.08055	16.1
147.11717	15.8
149.09615	11.0
149.13231	5.1
151.07541	6.3
157.10158	6.7
159.08078	3.5
159.11705	18.8
161.09631	23.6
161.13278	60.5
163.11229	3.8
163.14827	5.8
165.09132	7.9
165.12772	4.8
171.11697	5.3
173.09569	3.5
173.13278	8.8
175.11208	9.4
175.14825	23.4
177.12737	3.8
179.10693	7.0
179.14201	2.6
185.13216	6.4
187.11145	4.3
187.14804	6.1
189.12779	9.4
189.16426	6.0
191.14307	21.5
191.24493	2.5
193.12262	3.4
201.16441	5.3
203.14345	39.6
215.14313	5.3
217.15889	8.7
221.15379	100.0
222.15924	3.9
229.15955	5.7
233.15407	3.4
235.16843	5.9
243.21162	5.7
247.16905	3.0
257.22687	5.6
267.21045	4.3
285.22208	15.3
303.23190	47.2
319.45837	3.2
345.71115	2.7
483.08194	6.5
483.20959	7.1
483.26913	3.5
484.28485	3.8
484.78741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.3
53.76106	2.3
55.05514	60.8
57.03440	12.2
57.07078	23.2
65.03940	4.8
67.05506	77.3
69.07068	71.3
71.08640	13.7
79.05488	29.8
81.07059	100.0
81.97778	2.4
83.08618	41.9
85.10222	6.6
89.06029	22.8
90.06371	3.7
91.05506	7.8
93.07054	28.1
95.08606	84.4
95.09215	4.2
97.06547	5.7
97.10178	31.5
97.31306	2.5
98.22713	7.7
105.07025	6.3
107.08594	16.1
109.10161	36.9
111.08122	4.2
111.11707	11.8
119.03442	2.8
119.08572	3.9
121.10146	19.8
123.11700	14.3
125.09654	4.9
125.13313	3.5
133.08658	9.9
133.10150	4.2
134.08958	4.3
135.08119	3.0
135.11696	13.7
137.13310	9.1
149.13286	7.1
151.14940	2.2
155.10789	2.2
159.11676	2.9
177.11348	4.0
189.11290	4.4
277.21701	3.0
283.17618	9.4
284.17975	7.5
345.35269	6.7
355.33694	12.6
373.34622	26.6
385.33102	3.9
391.35721	35.0
391.40460	3.3
409.36917	5.0
465.39307	25.9
483.40579	82.4
484.40689	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33123	0.3
52.83423	0.4
58.89961	0.4
58.99586	0.6
67.05479	0.6
70.06590	1.0
73.02932	0.4
76.02232	1.3
79.05501	0.6
80.03429	0.4
86.09721	0.7
86.99023	0.4
91.05490	0.9
93.07039	1.1
95.04940	1.0
95.08627	0.5
99.68143	0.4
99.76809	0.4
100.11275	0.5
105.00075	0.7
105.07042	0.7
107.08635	0.7
109.10193	0.4
110.07176	0.5
117.07043	0.5
119.08632	0.7
121.06497	1.7
122.02728	7.0
123.04443	1.0
130.06512	0.6
131.08543	0.5
133.10126	0.5
137.06047	1.0
139.03876	1.1
143.08636	0.5
145.10120	0.5
147.04475	0.8
161.09650	0.6
165.45641	0.5
181.08524	0.5
215.05789	0.4
229.12514	0.5
247.13275	0.4
269.15359	1.0
299.16495	0.5
305.10388	0.6
317.08469	1.5
327.15771	0.9
335.11145	0.4
345.17068	1.5
362.33832	0.5
363.18018	1.0
425.14981	1.2
484.14316	100.0
484.20703	8.5
485.14447	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	484.143
Annotation	N-ACETYL-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE
Peak:m/z	Relative Intensity
55.89442	0.4
58.71775	0.4
66.27420	0.6
69.77187	1.3
70.06572	0.7
71.34383	0.5
72.33723	0.6
86.09724	0.6
121.06525	0.9
184.07306	0.5
286.96295	0.5
317.08328	1.2
335.10419	0.5
392.22482	0.6
484.14273	100.0
485.14612	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	484.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22924	1.2
52.49862	1.2
58.32463	1.1
63.64560	1.1
65.05731	1.1
70.06622	1.3
83.04920	1.4
85.02931	3.4
91.05482	14.5
97.02880	2.1
109.06502	1.4
111.04436	1.6
119.04939	13.2
137.05977	100.0
139.03925	3.1
141.05518	4.3
154.02585	2.3
155.51712	1.1
169.04944	10.2
171.06444	2.5
187.07629	1.6
200.04692	3.3
213.05458	2.0
215.06996	2.5
229.05243	1.2
230.05750	1.6
231.50485	1.3
243.06496	10.7
244.09712	4.0
245.08089	3.4
272.09183	14.8
273.07562	16.8
290.10266	4.6
304.11777	9.4
305.10159	24.7
322.12833	31.4
382.73370	1.3
466.17520	1.4
484.18127	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.5
61.02928	0.4
65.03945	0.8
68.99789	0.6
69.03426	1.2
69.83429	0.3
71.01208	0.6
75.57735	0.4
75.73650	0.3
79.05495	0.3
80.01875	0.4
85.02914	2.3
85.84904	0.3
89.89124	0.4
91.05485	15.3
91.06059	0.8
97.02901	0.5
107.05019	0.4
108.67967	0.4
109.02888	1.3
109.06479	1.0
111.04472	1.0
113.06001	1.2
119.04950	9.9
123.04411	0.5
126.03109	0.5
127.03958	0.9
135.04494	0.4
137.02368	1.1
137.05986	100.0
138.06310	1.2
139.03918	1.7
141.05460	5.3
145.04941	0.4
147.04436	0.6
154.02608	2.1
154.08623	0.5
155.03464	0.4
157.06398	0.7
161.05966	0.5
164.07089	0.6
169.04990	11.5
169.06407	1.0
171.06506	1.9
172.05190	0.5
175.07654	0.4
185.05974	0.7
187.07573	0.9
200.04712	3.3
201.05484	0.5
203.06929	0.7
213.05522	1.2
215.07065	2.6
216.07907	0.6
228.04210	0.8
229.05104	0.5
230.05780	0.5
241.05040	0.9
243.06554	7.8
244.09720	4.2
245.08020	1.5
260.06796	1.0
272.09213	7.6
273.07562	9.5
290.10217	2.3
295.13449	0.4
304.11786	8.1
305.10184	23.6
306.10544	0.7
322.12875	26.8
323.13184	0.8
364.14163	0.5
416.13443	0.7
430.15115	0.7
434.14310	0.9
437.97345	0.4
448.16074	1.2
452.15521	0.7
466.17056	1.5
484.18240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
66.70720	1.1
68.87627	1.1
69.03442	1.2
69.62212	4.3
71.64043	1.0
85.02907	2.8
87.71885	1.2
91.05479	13.4
98.22742	2.3
119.04945	9.5
137.05986	100.0
139.03905	2.3
141.05420	5.5
162.70935	1.2
169.04959	6.3
169.99445	1.3
171.06572	3.2
176.25055	1.2
181.95050	1.1
200.04591	3.5
215.06969	2.1
243.06566	4.8
244.09717	4.1
245.08073	1.3
248.62674	1.3
272.09186	4.9
273.07501	8.2
273.83633	1.3
290.10208	1.8
300.36569	1.6
304.11627	7.9
305.10092	9.0
322.12881	24.4
410.94907	1.3
448.16473	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.97210	0.5
55.01882	0.6
55.05523	3.4
56.05008	0.6
57.03440	6.8
59.04982	1.0
61.02922	0.7
67.05502	2.7
69.03438	2.2
69.07056	2.5
70.06580	0.7
71.04995	49.7
73.02911	1.5
75.04482	2.5
79.05500	2.3
81.07048	4.7
83.04985	5.7
84.04510	4.5
85.02908	59.4
87.04464	1.1
91.05473	2.2
93.07051	5.6
95.04947	1.8
95.08588	4.6
97.02890	2.0
97.06567	0.9
97.10155	0.8
98.23427	1.5
99.04460	1.1
102.05540	2.5
105.07024	2.4
107.04964	0.7
107.08582	3.3
109.06532	1.7
109.09519	0.6
109.10166	3.5
111.04449	2.3
111.08079	0.6
115.05454	1.4
119.08580	2.4
121.09379	0.7
121.10111	3.5
123.08088	1.3
125.09641	1.1
127.03929	2.3
129.05482	26.5
129.07014	1.5
130.05054	2.4
131.08578	1.1
133.10135	2.8
135.11696	2.1
137.09610	1.9
139.11279	0.7
141.06995	100.0
142.07349	1.6
143.08563	0.9
144.45526	0.6
145.04993	1.3
145.10112	3.1
145.31660	0.6
146.08112	1.6
147.04489	1.2
147.06528	12.3
147.11699	0.8
148.06071	2.5
149.09631	1.3
151.11197	2.3
155.08553	8.8
157.06544	3.9
157.10081	1.3
159.11703	1.9
163.11140	2.1
164.09189	7.6
165.12758	0.8
166.43857	0.7
167.08543	1.5
167.10706	1.3
169.10178	0.8
179.08560	2.0
179.10658	1.4
181.06497	1.1
183.08069	5.3
185.13321	1.0
195.08060	4.5
207.08112	1.6
225.09140	5.2
251.10783	1.3
255.08708	1.0
255.15782	1.3
283.20621	1.8
301.21640	1.9
319.22711	2.2
448.27008	1.3
466.27686	1.2
484.20493	2.2
485.19861	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	484.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60531	0.3
53.08823	0.3
58.06587	0.8
61.68052	0.3
63.02359	0.7
67.52136	0.3
70.06580	0.5
70.38961	0.6
72.08154	9.2
75.09243	0.6
78.04683	0.3
79.05471	0.4
84.08115	0.9
89.03909	5.6
90.04247	0.3
91.05479	0.5
92.69138	0.3
95.04903	0.3
107.04934	0.9
112.11239	3.4
117.03374	17.1
129.13878	1.7
134.03596	0.9
135.04407	5.9
145.02841	54.1
146.03183	0.7
146.16547	2.3
147.04356	0.3
149.05989	4.9
155.11758	1.4
163.03896	41.4
164.04208	0.6
168.64104	0.3
172.14473	1.0
176.06972	0.5
177.05463	76.8
178.05786	1.1
204.94632	0.3
219.08972	0.7
219.11269	0.4
220.09683	13.0
221.10043	0.4
233.12762	0.9
234.11243	48.0
235.11594	1.2
243.79692	0.3
248.12915	1.3
251.13911	1.1
266.16367	0.3
279.27997	0.3
290.18558	0.4
291.16931	2.2
304.20224	0.5
305.18619	1.8
308.19641	7.9
322.17722	0.4
322.21292	5.9
466.23416	0.5
467.21667	1.4
467.61200	0.3
484.24414	100.0
485.24738	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	484.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01618	1.6
55.01871	24.0
60.05654	1.2
60.80030	0.9
61.42553	0.8
65.00641	23.2
68.29647	0.9
69.04556	2.2
69.07059	1.2
70.52966	1.9
73.02918	29.5
79.05486	0.9
81.07048	1.8
83.35745	0.8
93.07058	1.5
95.08592	1.7
97.16175	1.0
101.99789	1.0
102.74752	1.0
105.07035	1.8
107.08617	1.2
116.99276	11.9
117.99591	1.5
119.01643	39.1
119.08602	1.6
125.05997	1.4
131.08574	1.6
133.10075	1.4
137.02676	100.0
161.09579	0.9
171.89345	1.0
180.99074	22.7
181.99416	5.4
232.87744	0.8
285.22214	5.6
347.19525	3.0
348.19821	6.4
420.21967	6.8
421.24039	1.2
484.21936	10.3
485.21378	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.4
67.05507	62.7
67.60638	8.7
69.07070	24.8
69.57240	24.6
70.06591	9.5
72.08149	10.6
80.91057	6.2
81.07058	69.9
81.98274	7.0
83.08613	20.9
85.02893	9.5
85.06517	8.8
86.09734	9.6
91.05473	14.2
93.07036	30.4
95.08612	89.4
97.10188	7.2
98.22741	13.8
106.62209	7.4
107.08579	23.3
109.10143	54.2
111.08091	7.2
111.42784	6.1
114.95290	8.0
117.03344	10.0
118.22816	7.0
119.08578	17.3
121.10166	34.8
122.44508	8.1
123.11703	22.1
130.22485	7.4
133.10144	14.9
135.11674	26.7
137.09584	10.4
145.02853	51.3
145.10135	9.9
149.13274	8.1
163.03926	62.9
177.05461	65.1
191.17973	16.3
191.99443	6.3
195.13974	11.4
209.19048	11.2
215.17949	24.5
220.09627	20.2
227.38229	8.3
233.18932	13.8
234.11241	33.9
251.20026	57.2
263.13828	7.2
269.21112	87.5
287.22186	78.1
305.23239	24.1
333.07629	9.6
365.10071	15.0
484.24460	100.0
485.19867	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.1
55.01871	3.0
55.05252	1.5
55.05510	12.5
57.03439	3.5
57.07077	10.2
59.44699	0.9
61.29061	1.0
65.03949	1.3
65.43754	0.9
65.83237	1.0
67.05505	32.9
69.03434	3.7
69.07079	12.7
69.13074	0.8
69.44280	1.0
70.64576	1.5
71.05001	2.5
71.08634	10.8
77.03928	1.2
79.05501	15.3
81.03417	13.3
81.07061	22.7
83.04987	4.4
83.08615	5.0
84.75329	0.9
85.06548	2.7
85.10190	2.2
91.05484	7.4
93.07047	24.4
95.04965	13.4
95.08610	20.4
97.06543	3.6
97.10143	4.8
98.98478	4.3
99.08089	5.4
101.06023	1.1
105.04544	1.1
105.07026	6.5
105.07632	1.1
107.04991	1.0
107.08598	11.8
109.06547	1.9
109.10165	16.6
117.07006	1.8
117.32990	1.0
119.08581	7.1
121.10140	13.5
121.45143	1.0
123.11717	3.7
129.07069	1.4
131.08594	2.5
131.29337	1.1
133.06467	1.0
133.10114	5.9
135.11714	5.9
137.09625	14.5
139.11176	2.5
143.08643	1.1
145.10179	1.5
147.11649	5.2
148.69960	1.0
148.99768	4.5
149.13274	4.8
151.11171	8.0
155.01068	3.4
155.10652	2.5
159.11703	2.6
160.46295	1.2
161.13280	1.7
163.11244	1.5
173.11740	2.7
173.13254	1.9
175.14809	1.5
176.29373	1.1
179.14432	2.1
185.13208	2.1
191.14256	2.3
199.14877	1.0
203.12704	1.8
211.70349	1.2
221.15364	3.2
221.37448	0.9
241.19566	2.3
249.22191	2.3
259.20593	2.1
277.21634	87.5
278.22000	3.0
295.22681	100.0
296.23141	2.5
313.27374	25.6
449.26486	2.5
484.47327	1.1
485.26422	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	484.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31615	1.0
55.05507	3.3
57.07074	28.3
67.05502	2.8
69.07058	2.9
70.06580	1.1
71.08634	26.0
73.06550	6.6
74.06080	2.9
76.23289	1.0
81.07052	1.9
83.08620	4.1
85.10183	24.2
87.04463	3.0
89.06031	100.0
95.08602	1.7
97.10172	1.9
99.11724	2.4
108.30183	1.1
117.09119	5.4
130.08693	2.1
133.08609	48.0
135.10091	1.5
136.59039	1.0
141.16391	5.3
146.98024	1.0
156.05457	1.1
177.11227	20.7
185.19032	5.5
203.54897	1.1
221.13850	3.6
229.21683	12.1
234.08275	1.3
237.80911	1.0
239.14886	3.6
273.24240	9.5
283.17410	3.6
312.26135	4.7
317.17758	1.7
327.20102	11.3
357.64587	1.1
423.32932	2.0
467.35815	22.6
484.24783	1.9
485.19818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1423
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.9
66.32800	1.1
70.02684	2.7
70.03032	2.3
84.95998	1.4
98.97574	14.5
110.97562	5.1
112.99117	1.6
115.00697	1.7
116.98618	4.8
128.98615	4.4
138.04675	1.2
139.00667	3.4
149.09648	6.1
157.01698	4.0
158.99644	2.6
161.02725	1.4
170.99648	1.7
173.04660	1.1
175.02780	1.8
177.00764	2.1
179.02357	2.0
179.03796	21.2
189.00633	1.5
197.04855	21.9
197.06526	2.2
205.05319	4.4
207.03522	1.4
215.05922	15.8
219.01750	16.8
219.06958	3.3
223.06424	11.8
233.06924	1.3
237.02811	19.8
237.07964	2.7
241.07492	4.9
243.65128	1.4
245.08633	3.3
248.04584	1.3
255.09001	1.5
257.59253	1.5
263.09601	10.5
281.10574	10.9
299.04419	1.4
299.11679	4.2
305.10516	3.8
323.11700	2.2
326.28326	1.6
341.09152	1.8
425.14813	100.0
426.15259	2.3
443.15903	8.6
485.14108	97.2
486.14450	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	485.1426
Annotation	6-Desmethoxy hormothamnione diacetate
Peak:m/z	Relative Intensity
56.96555	2.4
61.34402	1.0
61.50611	1.1
66.91827	1.1
69.48692	2.3
70.06575	1.4
89.30013	1.1
98.01054	1.0
98.97594	7.4
110.97585	2.2
113.02126	1.1
116.98606	2.3
128.98605	2.9
158.99687	1.0
177.00677	1.8
195.03354	2.2
198.77028	1.0
203.69145	1.0
208.18031	1.0
211.02812	1.2
213.04327	1.5
219.01808	5.3
237.02576	5.4
339.07529	12.1
357.08615	10.7
455.15024	2.7
485.14291	100.0
486.14777	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	485.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
59.46414	0.6
70.95967	1.1
81.76919	0.6
117.15137	0.6
135.07727	0.7
144.95874	0.9
158.97423	1.0
163.03822	1.1
181.23584	0.7
208.98946	0.8
211.45226	0.7
216.97925	1.1
234.96964	1.0
234.99086	3.0
274.39319	0.7
309.04248	0.7
317.08401	2.3
321.09406	1.1
353.03247	2.4
453.13690	41.3
454.14255	1.0
485.16324	100.0
486.16574	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73598	0.4
56.96563	8.4
57.29647	0.5
68.37122	0.4
68.44208	0.5
69.17536	1.1
69.17932	2.3
71.68782	0.6
79.47253	0.4
82.84814	0.5
84.96037	2.5
91.05482	0.5
98.23499	0.9
98.97582	16.6
100.11244	0.8
110.97575	5.8
112.99140	1.6
113.40127	0.4
115.00701	1.2
115.15009	0.5
115.40690	0.5
116.98626	6.7
124.99113	0.9
128.98602	6.2
131.00188	1.0
134.99644	1.4
139.00658	4.3
140.98613	0.9
141.02205	0.6
143.00168	1.7
144.98018	0.9
146.99670	1.7
149.09621	8.6
157.01759	4.1
158.99706	1.7
159.03302	1.1
161.01239	1.3
161.02779	2.1
165.02278	0.6
170.99655	2.0
175.02788	2.1
177.00696	1.9
179.03798	22.3
181.05344	1.2
182.32768	0.5
189.00769	1.4
194.36571	0.5
196.07675	0.5
197.04858	26.5
199.06424	0.6
201.00749	1.9
203.97275	0.6
205.05371	3.8
212.49312	0.5
215.05899	15.0
219.01776	18.8
219.06863	3.0
220.06566	0.5
221.98546	0.6
223.02989	1.0
223.06407	13.7
225.04219	0.5
233.06889	1.5
237.02795	23.6
237.07877	4.5
239.09529	1.9
241.07449	6.0
242.03438	0.7
245.08530	3.6
247.06351	0.7
251.06013	0.5
255.09132	1.5
259.08691	0.7
260.04486	0.5
263.09546	12.3
269.03372	0.9
275.05838	0.5
277.07532	0.7
279.08994	0.5
281.03351	1.8
281.10583	12.3
283.08444	0.5
291.09003	1.1
299.04370	3.5
299.11606	5.9
301.05951	0.8
304.12262	0.7
305.10544	3.2
307.08661	0.6
317.12735	1.3
323.11749	1.6
324.76877	0.5
341.09161	2.2
414.16309	0.6
425.07999	4.5
425.14810	100.0
426.15155	3.7
443.09491	0.9
443.15866	10.0
461.63040	0.6
467.22403	0.6
484.38129	1.1
485.13824	12.0
486.14746	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24754	0.6
56.96564	15.5
69.47796	3.4
84.96017	1.1
86.09708	0.8
97.96810	0.9
98.23477	1.6
98.91946	0.9
98.97583	87.6
110.97585	3.2
116.98621	38.0
128.98581	2.1
130.59023	0.9
134.99655	9.8
140.00157	1.9
146.99701	1.8
147.02469	0.7
158.99655	7.4
161.01131	0.9
167.14313	1.0
174.07863	0.9
177.00729	7.4
187.02835	1.2
189.12764	2.4
197.04916	1.2
211.01480	0.9
211.06387	2.0
219.01801	3.8
223.06465	0.8
225.04272	0.8
237.02742	6.2
239.09595	2.1
245.08533	3.1
263.09540	23.3
267.05276	0.8
281.10593	22.4
297.19464	0.8
299.11688	2.5
305.10577	15.9
323.07840	1.8
323.11658	37.1
324.12015	1.3
341.12643	7.1
346.13272	2.5
365.12735	15.8
407.13687	1.0
425.14828	100.0
426.15103	2.5
436.24887	0.8
443.15787	6.9
466.17001	0.9
480.65387	0.9
485.16797	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	485.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.3
56.96284	1.5
56.96566	26.6
58.44108	0.8
61.50094	0.8
67.05503	2.9
69.03442	1.3
69.07063	2.2
69.42971	2.1
69.43360	2.7
70.06599	1.3
72.09287	0.9
76.70090	0.9
79.05486	1.6
81.07054	3.0
83.04968	1.7
83.08619	3.1
84.08157	1.3
84.92281	0.8
84.96059	3.0
91.05489	2.3
93.07066	1.2
95.04962	1.9
95.08615	3.5
96.08150	2.6
97.02861	0.9
97.06531	1.2
98.97586	95.2
99.01162	0.9
100.07632	3.9
100.11262	14.8
105.07037	3.5
107.08583	3.0
109.06532	6.4
110.97586	4.8
111.04472	5.1
112.07573	1.4
114.09175	44.2
115.00713	1.6
116.98627	38.1
123.08074	7.5
126.09273	0.9
127.00688	3.2
128.07104	4.3
128.98630	4.0
134.99632	7.4
137.05914	1.0
139.00673	2.4
140.00174	1.7
140.07065	2.8
141.02174	1.0
143.00160	2.9
145.01733	1.6
146.99672	2.0
147.11690	1.1
149.09608	6.0
151.07542	23.3
153.02188	2.1
157.01776	5.9
158.99658	28.2
161.01234	1.3
161.04811	1.6
165.12772	1.1
170.99620	1.1
171.03302	3.4
175.02832	4.5
177.00722	26.5
177.02269	1.3
179.03845	1.5
182.15422	14.2
185.04887	2.0
193.01768	1.0
193.05406	1.8
195.01791	1.2
195.06865	1.2
197.04886	6.6
199.06380	2.2
200.02312	1.8
203.05835	1.2
205.05380	3.4
207.13939	1.1
209.16582	3.6
210.14897	19.9
210.16795	1.4
211.06450	3.4
214.14455	1.7
215.05910	2.6
217.07433	1.8
219.01768	17.6
219.06860	2.2
221.04892	1.3
221.08482	3.3
223.06419	7.0
223.37128	1.1
225.04388	1.1
227.17563	3.2
228.16016	1.9
229.07507	1.7
237.02820	11.7
237.07918	4.3
239.05927	2.6
239.09531	14.4
241.07471	8.0
242.13902	2.2
244.20233	3.5
245.08499	2.8
247.06532	1.2
249.04356	1.0
255.08972	2.3
257.10556	4.4
259.18893	0.9
263.09546	31.0
265.07431	2.6
265.11072	3.6
267.05420	1.4
279.03897	8.6
279.09152	1.4
281.10608	34.0
283.12064	2.1
297.04868	1.0
299.11734	2.7
304.12079	1.2
305.10590	98.3
306.10992	2.8
323.07852	2.2
323.11652	36.9
330.56128	1.1
337.21164	5.4
339.05377	2.2
341.12747	1.6
341.24252	2.3
346.13324	3.4
354.23740	7.1
355.22226	3.9
358.27158	3.1
363.96335	0.9
365.12650	7.0
367.10568	2.4
425.14844	100.0
426.15201	3.6
443.16013	5.3
467.32233	4.2
468.30566	6.6
485.16797	13.8
485.22818	1.4
485.25656	1.7
485.33337	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	485.1785
Annotation	Evodol
Peak:m/z	Relative Intensity
59.95507	1.9
69.58073	7.1
69.58411	2.2
85.02896	2.5
91.05472	2.3
93.07054	2.9
98.97562	4.7
101.34094	2.2
103.14748	1.9
119.08530	3.9
137.28865	2.1
138.96771	2.2
145.02753	2.6
158.99513	2.4
163.03961	2.3
177.05440	5.7
178.05878	3.1
180.97794	3.6
203.85966	2.1
219.01579	2.9
234.11292	3.2
235.11713	2.9
240.99953	4.2
249.39299	1.8
257.54214	2.0
297.01474	2.1
316.18735	2.9
317.08356	14.6
339.41498	2.2
353.12625	3.5
357.11887	3.4
399.12979	14.6
425.10898	5.1
467.25195	2.6
485.18143	100.0
485.28256	4.1
486.18243	4.2
497.74051	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
63.02378	0.9
69.03410	0.8
69.40826	1.7
69.41238	0.9
80.05000	0.5
84.08140	4.7
85.02907	1.5
89.03908	5.9
91.05479	0.8
97.02887	1.0
103.12286	0.5
106.04200	0.6
107.04937	0.7
115.03929	2.0
117.03381	16.5
118.86666	0.4
120.38016	0.5
132.68605	0.5
134.03662	1.2
135.04401	1.4
145.02847	49.7
146.03206	0.7
149.05977	5.7
161.04475	1.7
167.07068	0.7
171.08031	0.6
175.07535	0.6
177.05470	100.0
178.05823	2.1
185.06009	1.2
186.05513	1.3
194.08147	0.6
201.09059	0.6
203.10608	1.2
213.05527	0.6
219.10095	1.1
234.06697	0.6
247.07619	0.9
262.06293	0.9
273.12204	3.1
274.10712	1.2
277.08749	0.5
279.10284	1.0
280.11725	1.8
290.05759	1.0
291.13290	4.4
292.07184	1.0
292.11774	6.2
303.06137	0.5
305.08057	0.9
306.08368	0.6
307.06140	0.9
307.09698	1.4
309.14468	5.7
323.18158	1.0
333.07584	1.7
335.08936	1.1
339.12085	1.9
352.09384	0.7
353.10037	0.6
365.10226	2.6
367.11758	20.0
467.21524	1.7
485.19180	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	485.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83246	0.3
70.27206	1.1
73.02901	0.6
78.46378	0.3
85.02881	0.6
95.05013	0.4
98.22776	0.4
109.10163	0.5
127.77965	0.4
145.10063	0.5
148.28194	0.4
151.70807	0.4
185.04251	0.6
191.10440	0.4
191.17506	0.4
229.06902	1.6
237.18613	0.7
317.08435	29.1
318.08795	0.8
329.09662	0.4
335.09348	0.4
485.19910	100.0
486.20340	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	485.1995
Annotation	CHEMBL252967
Peak:m/z	Relative Intensity
51.50091	0.3
56.29195	0.3
70.16772	0.7
70.17099	0.4
72.01862	0.4
72.39224	0.3
73.22924	0.3
79.56290	0.4
119.08590	0.4
145.10168	0.5
153.85820	0.3
155.03148	0.6
185.04218	1.1
219.17421	0.4
229.06847	2.9
317.08420	34.9
318.08777	0.5
335.09552	0.8
376.75974	0.4
485.19913	100.0
486.20328	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	485.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07181	0.7
59.25815	0.7
60.17530	0.8
69.07070	1.0
101.89262	0.7
128.61653	0.8
271.07849	0.8
317.08450	33.3
485.19861	100.0
486.20270	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	485.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38906	0.4
53.09785	0.4
53.53339	0.4
54.97932	0.4
55.01827	0.5
67.05474	0.5
81.07034	1.1
84.08133	0.6
85.02850	0.5
86.09664	1.4
91.05428	0.6
92.80540	0.5
95.08609	1.1
98.22710	1.5
109.10103	0.5
112.07572	0.7
117.03271	0.6
129.10202	1.2
139.76700	0.5
145.02797	1.7
147.04352	0.6
177.05464	4.4
178.07773	1.2
189.06981	1.2
190.07758	0.7
191.08551	0.8
202.07788	1.1
203.08441	0.8
205.06538	1.5
206.07240	2.0
217.06541	0.6
218.07234	1.6
219.07976	1.2
221.09532	0.7
231.08015	0.9
232.05116	1.1
233.05933	0.9
234.06761	11.6
235.07402	0.9
244.05103	3.0
245.06009	1.0
246.06795	1.0
247.04018	0.5
247.07486	1.6
248.04565	0.6
248.08182	0.8
249.09061	1.7
257.05893	0.7
259.03961	0.6
259.07535	1.3
260.04666	4.4
261.05405	2.6
261.09082	1.5
262.06247	13.6
263.06851	1.6
270.21558	0.5
272.04691	3.2
273.05460	1.5
274.06268	3.6
275.03564	0.8
275.07010	3.7
276.07697	1.6
277.05594	0.5
277.08566	11.1
279.06491	1.0
287.07016	18.1
288.07385	0.6
289.04977	1.3
289.08456	1.1
290.05716	23.6
291.06256	1.9
293.07996	0.6
301.04858	1.0
303.06464	3.2
304.07278	4.5
305.08051	21.3
306.08493	1.6
307.06012	1.0
315.06448	7.3
318.05215	8.9
319.06009	3.0
321.07413	0.8
322.08194	1.0
325.10645	0.5
332.06735	0.7
333.07556	63.3
334.08102	4.8
335.09143	0.8
337.10672	1.3
339.12292	0.7
350.07874	1.6
351.08975	0.6
353.10468	0.6
365.10193	100.0
366.10510	3.3
367.11734	3.5
383.11227	2.2
467.21790	16.2
468.21271	0.7
485.10211	0.6
485.23419	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	485.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05300	0.5
55.05512	6.5
57.03442	4.8
57.07075	3.9
65.03937	1.2
67.05161	0.8
67.05508	13.5
69.03436	1.2
69.07070	8.4
69.36653	2.8
71.05007	0.9
71.08639	1.2
77.03953	0.5
79.05496	5.2
81.03419	1.1
81.07062	15.7
83.04955	0.6
83.08623	4.9
85.02881	0.6
85.06553	1.7
85.10154	0.9
87.04453	0.9
91.05482	53.0
93.07041	4.4
95.04977	0.7
95.08610	10.2
97.06540	0.8
97.10158	1.8
98.19377	0.5
98.98447	1.0
104.06238	3.7
105.07037	11.5
107.08600	1.5
109.10170	2.8
111.08073	2.1
119.08566	1.8
121.10117	1.1
123.08061	0.7
123.11770	1.0
125.09611	0.6
127.07548	1.1
133.10129	100.0
134.10466	1.8
135.11673	1.2
142.21248	0.6
147.08049	2.2
147.11714	1.0
148.99750	40.7
149.09642	3.8
149.13255	0.8
153.09166	1.1
171.10158	1.9
189.11180	1.1
190.02446	1.6
223.03424	1.0
248.31718	0.5
313.27429	3.1
337.27380	11.1
359.25479	3.5
377.26617	0.6
484.47061	0.6
485.26385	39.8
486.26767	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13389	0.9
51.45567	0.9
55.05503	6.9
57.03433	3.6
57.07076	3.2
60.14227	0.9
65.03939	1.1
67.05502	10.8
69.07072	8.1
71.08632	2.1
71.46529	1.2
79.05506	5.0
81.07062	13.9
83.08611	4.6
85.02892	0.9
85.10199	0.9
87.04466	1.2
87.45609	1.1
91.05484	40.6
93.07042	3.5
95.08603	10.4
97.10161	1.2
97.13577	0.8
97.49248	0.8
100.45074	1.0
104.06270	3.5
105.07027	9.2
107.08602	2.6
107.24512	0.9
109.10175	3.8
111.08069	1.7
115.59320	0.8
121.10133	1.8
123.11691	1.5
133.10132	100.0
134.10490	1.1
147.08037	3.1
148.99754	45.4
149.09615	2.6
150.90318	1.0
171.10089	1.4
183.08900	0.9
247.36763	0.9
273.02927	1.0
313.27353	5.8
328.02261	1.1
337.27359	12.6
359.25629	4.3
371.35461	1.0
373.42847	1.0
398.49875	1.1
412.59097	1.0
484.47580	1.2
485.20221	6.1
485.26392	38.9
485.47400	1.5
486.26950	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	485.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44327	0.5
54.93719	0.6
55.05515	4.4
57.03442	6.2
57.07079	27.0
57.19345	0.5
61.72831	0.6
67.05206	0.8
67.05505	8.6
69.07070	5.6
69.24694	4.0
69.66624	0.5
71.08267	1.1
71.08635	15.5
71.73542	0.5
75.04481	1.0
79.05499	1.6
81.07060	9.5
83.08617	4.9
85.06549	0.6
85.10185	10.5
89.06049	0.8
91.05481	6.2
93.07042	1.7
95.08609	11.3
97.06558	0.7
97.10162	2.6
98.98468	20.1
103.07605	0.8
105.07058	3.7
107.08571	0.8
109.10173	5.2
111.08061	0.6
120.41287	0.6
123.11709	2.2
125.15275	0.7
133.10132	21.7
148.99754	11.4
149.00842	1.1
155.01048	12.1
170.25720	0.6
171.10173	0.9
173.02107	2.7
211.03893	0.7
229.04747	1.4
239.23735	2.2
247.05725	1.2
247.79884	0.6
262.38763	0.6
267.77762	0.6
313.27368	100.0
314.27795	3.7
329.90567	0.6
337.27243	2.9
359.25510	1.1
393.23981	1.8
449.26569	6.2
466.68192	0.6
485.20145	3.4
485.26328	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	485.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.8
57.03440	7.3
57.07078	23.2
57.66962	0.6
64.88680	0.6
67.05499	4.1
69.07076	4.1
69.34490	3.0
71.08633	16.3
79.05521	0.9
80.26324	0.6
81.06615	1.0
81.07049	7.3
83.08631	4.7
85.10178	8.9
85.10639	1.0
89.06013	1.2
93.07021	0.6
95.08612	8.7
97.10181	2.4
98.98450	4.6
101.07515	0.7
103.07593	1.3
109.10149	4.3
123.11724	1.5
130.36037	0.6
137.13240	0.8
154.99905	0.7
155.01042	2.6
172.19923	0.6
186.09041	0.6
194.56633	0.6
226.34756	0.7
232.02539	0.8
239.23766	1.8
257.24762	1.4
273.33298	0.7
313.27365	100.0
314.27753	2.8
413.22009	0.7
449.26559	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.4
57.03437	9.0
57.07077	27.2
65.03925	0.8
67.05500	5.6
69.03404	0.9
69.07064	7.8
69.87453	2.6
71.04974	1.0
71.08636	18.8
78.04680	0.7
79.05486	2.5
81.03438	0.8
81.07048	8.7
83.08625	6.5
85.06536	1.6
85.10181	10.2
89.06017	2.3
91.05480	43.8
92.97137	0.7
93.07058	1.2
95.08608	9.9
97.10159	3.1
98.22758	0.9
98.98460	6.6
103.07597	1.2
104.06267	3.4
105.07034	7.1
109.06523	0.9
109.10146	5.4
111.08086	1.2
115.36163	0.8
123.11707	2.6
127.07481	0.8
133.10127	100.0
134.10490	1.7
135.11510	0.7
147.08080	2.4
149.09610	4.3
153.09082	1.5
155.01089	3.1
171.10149	1.6
189.11276	1.0
200.06133	0.7
231.67801	0.7
239.23740	2.6
257.24738	1.5
313.27359	98.1
314.27686	3.3
449.27142	1.0
485.31042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.08363	0.6
60.82819	0.4
70.32864	0.9
116.98830	0.5
122.99752	0.4
124.28349	0.5
164.91991	2.3
266.77850	0.4
316.01495	0.5
397.55899	0.5
485.30878	100.0
486.31500	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	486.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.4
55.01882	2.3
56.61495	0.9
57.03433	1.1
69.03430	9.4
71.05004	6.6
79.28290	1.0
81.03417	9.0
81.73186	1.0
83.05006	1.4
83.32082	1.0
84.08120	1.1
86.09723	1.5
99.04480	4.6
104.99263	1.2
109.02885	1.8
117.05507	1.5
118.06580	0.9
129.05496	0.9
145.07640	3.9
147.09218	4.3
151.06659	1.0
173.07140	6.7
175.08713	6.6
184.07408	1.7
191.08159	100.0
192.08496	1.9
200.64487	1.1
259.09680	1.1
262.97687	0.9
289.11752	4.6
296.72375	0.9
307.12894	71.6
308.13315	1.6
325.13925	15.3
385.48727	1.1
407.18237	4.8
409.16159	1.6
415.14731	1.1
433.16147	11.4
451.17123	8.9
486.19388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85107	2.3
57.36937	2.2
58.06594	20.8
70.06580	9.5
72.08150	18.6
79.05439	2.3
84.08138	26.4
85.02905	2.5
86.09693	3.5
98.06052	4.2
98.09671	4.5
99.89188	2.6
107.04944	4.9
107.76458	2.5
112.02174	2.7
112.11241	32.5
113.07109	4.6
118.61401	2.7
119.16392	2.8
121.06509	3.1
127.08662	3.4
129.13849	5.9
135.35980	3.4
138.09178	3.1
140.01646	8.6
146.16548	5.2
150.07718	4.3
155.11786	14.2
157.09746	6.0
171.04346	3.3
181.06442	6.7
199.07541	100.0
209.12828	7.5
211.14360	3.1
238.15521	9.5
239.13963	8.1
243.04285	4.3
258.11453	3.6
405.92554	2.8
408.22513	3.1
426.23886	21.5
436.22327	67.6
437.20636	20.7
454.23367	52.2
468.25012	7.6
486.19016	3.4
486.25812	19.8
487.17892	8.0
487.25223	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	486.3066
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
55.01882	3.5
55.05294	2.8
55.05514	29.8
57.03412	2.3
57.07060	5.6
59.05000	2.5
67.05518	20.4
69.07071	37.4
71.01363	3.1
71.05013	13.9
79.05499	15.8
81.07063	68.2
83.04983	4.8
83.08621	11.8
84.04512	46.5
85.02888	2.9
85.06540	3.8
86.49069	2.5
91.05466	11.5
93.07046	44.6
95.04961	12.7
95.08612	47.4
97.06536	6.1
97.10180	20.9
102.05539	29.7
105.07053	19.4
107.08607	29.3
109.06528	7.2
109.10161	36.5
111.08089	4.8
111.11707	6.8
119.08567	21.7
121.06520	4.3
121.10149	42.3
123.08110	3.3
123.11708	26.4
125.09620	6.2
125.13232	3.6
130.05020	18.8
131.08583	4.1
131.28215	2.7
133.10129	13.9
135.11696	23.4
137.09596	3.3
137.13271	6.0
139.11198	6.1
143.10663	3.8
145.10123	7.6
147.11676	12.4
148.06065	33.4
149.13243	16.6
153.12715	6.7
157.12315	2.9
158.87325	2.6
159.11682	9.9
161.13246	10.5
163.11171	4.1
163.14807	6.0
165.12761	8.0
173.13271	6.4
175.14796	5.1
177.12799	2.6
177.16371	3.1
181.12250	2.8
187.14810	3.6
188.79616	2.3
189.16281	2.5
195.13789	7.2
238.28438	2.5
243.80598	2.7
257.22659	7.2
271.24161	5.1
275.23618	23.0
276.52075	2.4
281.24866	3.1
291.23178	4.4
293.24826	15.1
303.23196	100.0
309.24252	7.8
321.24255	29.8
422.28864	16.1
438.28519	3.1
450.28522	10.1
456.29318	4.1
468.29709	8.8
487.12836	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1216
Annotation	Tetracenomycin X
Peak:m/z	Relative Intensity
71.00732	1.4
80.85477	0.8
85.72488	0.8
112.05087	1.6
202.89117	2.2
294.68420	1.1
306.90112	1.0
320.70139	1.0
341.58163	1.0
365.08478	0.9
480.34134	0.9
487.12128	100.0
488.12881	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	487.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93884	0.9
56.96566	16.0
65.03928	2.1
67.05503	3.8
70.74083	1.6
71.04988	2.0
84.96034	3.4
86.09688	1.6
91.05482	1.2
93.07024	1.5
95.04972	86.1
97.96834	1.0
97.99016	1.0
98.97588	54.7
99.04476	5.3
105.06983	1.2
107.08627	1.0
110.44832	1.0
110.97575	6.1
112.99130	1.5
116.98625	20.1
127.00687	2.2
128.98599	4.9
133.10146	2.8
134.99664	4.5
137.57896	1.0
141.02214	1.1
143.00131	3.1
145.01726	1.3
146.99699	1.3
153.09094	5.0
155.03844	1.8
158.99670	16.4
159.03326	1.5
161.01166	1.0
170.99739	1.9
177.00723	15.9
189.00732	1.2
195.07027	1.9
199.06271	1.2
201.00725	1.1
206.72490	1.0
213.07996	3.7
219.01720	12.8
221.08490	4.9
223.06525	1.2
237.02817	10.6
237.07823	1.1
239.09593	8.0
241.07460	1.2
247.10107	3.9
255.09006	1.2
257.10577	2.4
263.09546	1.7
265.11087	10.8
279.03857	1.8
281.10669	3.1
283.12204	9.4
289.10898	2.4
290.94861	1.0
301.13284	4.0
307.12115	12.1
319.14230	1.0
323.11716	1.1
325.13263	14.8
327.24051	1.1
342.50281	1.1
343.14273	3.7
367.14240	4.1
383.13806	1.5
385.15216	1.4
409.15341	2.8
425.14923	1.4
427.16415	100.0
428.16663	2.9
429.17029	8.8
445.17453	7.7
466.02640	1.1
487.18188	44.9
488.18622	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.5
71.04948	1.5
91.05531	2.1
98.22710	4.6
98.97599	4.0
107.08538	1.7
110.90986	1.5
116.59097	1.5
123.29130	1.4
189.00768	1.8
190.04987	2.4
248.06578	2.2
266.19928	2.0
291.03622	1.7
348.65060	1.7
349.05539	2.6
487.19458	100.0
488.19885	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	487.1945
Annotation	Rutaevin
Peak:m/z	Relative Intensity
51.59570	0.9
55.05514	1.4
60.53641	0.9
61.22742	0.8
62.44333	0.9
67.05486	2.7
69.03418	1.3
69.07066	2.4
79.05502	2.4
81.07068	5.3
83.08606	1.1
84.04514	4.0
84.89250	0.9
85.02895	2.1
86.81985	0.9
91.05494	1.5
91.80681	1.0
93.07054	2.1
95.04955	1.4
95.08631	2.9
98.97581	1.9
102.05525	2.1
102.26643	1.0
105.07040	2.3
107.08585	3.4
109.10163	2.0
110.97540	1.1
119.08575	3.0
121.10136	3.3
122.10494	1.3
123.11680	1.4
130.05019	2.0
130.41837	1.0
133.10219	1.2
145.10184	1.5
147.11719	1.5
148.06050	3.1
157.10214	1.2
158.65143	0.9
186.16789	1.0
189.00748	1.0
232.07085	1.2
237.62544	0.9
249.02805	1.1
291.03836	1.1
346.95093	1.1
349.05380	7.3
367.14200	1.3
487.19397	100.0
487.31857	15.0
488.19641	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	487.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73095	1.0
69.22127	6.4
74.67064	1.2
85.02918	0.9
85.06540	1.7
86.09747	1.4
94.69518	0.9
98.97584	2.5
107.73045	1.1
162.11708	1.2
186.72496	1.0
217.02663	1.1
319.08704	1.5
487.19479	100.0
488.19531	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	487.208
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48483	0.3
63.02385	0.6
70.06581	1.2
70.83401	0.5
71.04996	0.6
74.12631	0.3
78.04716	0.5
82.06593	1.2
86.09697	0.5
89.03919	7.0
89.14289	0.3
91.05508	0.3
94.21110	0.2
99.09211	0.8
100.07624	1.6
103.05504	0.3
106.04173	0.5
117.03381	21.6
117.10242	0.8
118.08639	0.9
121.06544	0.4
134.03650	1.4
135.04405	1.2
135.11285	2.5
144.45839	0.3
145.02846	58.3
146.03200	0.9
149.05988	6.3
158.06035	0.4
160.22864	0.3
163.03937	0.5
177.05469	100.0
178.05795	1.9
186.05530	1.2
201.05428	0.4
226.17093	0.3
260.04678	0.5
262.06311	0.4
275.07034	0.7
275.13892	4.2
276.12268	2.6
287.07205	0.6
290.05704	0.8
293.14954	11.3
294.15573	0.3
303.06421	1.1
305.07974	0.6
311.16006	21.9
312.16275	0.6
315.06290	0.5
318.05280	0.4
333.07510	2.3
335.09067	0.7
337.13965	0.6
365.10199	3.2
367.11685	0.3
451.18457	0.6
469.13443	0.4
469.19714	8.4
470.19098	0.6
487.20966	7.0
488.20273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92488	0.3
69.03427	0.6
69.07082	0.4
69.56722	0.7
69.57107	0.8
71.02303	0.3
81.03416	0.3
85.02892	0.5
93.07034	0.4
104.99270	0.4
183.33162	0.4
189.06148	0.5
202.06067	0.8
227.05267	0.6
239.16193	1.0
240.10017	0.3
245.06389	0.5
262.48880	0.3
271.04266	0.5
289.05307	0.9
313.16177	2.7
355.17313	4.6
370.20724	0.4
386.35251	0.4
399.16299	3.2
401.21478	3.5
443.22540	14.0
468.06271	0.4
487.21512	100.0
488.21829	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
66.45928	0.3
69.58974	0.3
71.11856	0.4
72.48213	0.4
91.23402	0.3
95.08684	0.4
98.23359	0.4
101.82137	0.3
102.94615	0.3
104.99304	0.4
109.02885	0.5
109.10165	0.3
121.10189	0.4
185.04257	0.6
189.06088	0.8
202.28484	0.4
205.10176	0.5
227.05382	0.7
239.16212	1.0
245.06306	0.7
271.04376	1.0
313.16226	2.1
355.17273	4.3
358.00739	0.3
399.16263	2.7
401.21332	3.6
422.59106	0.3
425.21289	0.5
443.22513	15.3
444.22824	0.6
456.12570	0.4
487.21536	100.0
488.21945	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60702	0.5
70.17487	1.0
70.55876	0.5
81.07047	0.8
114.34348	0.5
121.10160	0.5
134.99701	0.4
185.04225	1.1
229.06874	1.7
239.16103	0.6
264.01038	0.5
317.08429	28.6
318.08728	0.8
487.21515	100.0
488.21564	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	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68816	0.4
65.95736	0.5
69.32389	2.2
73.02897	0.4
75.02718	0.3
79.65156	0.4
105.07029	0.4
141.10057	0.5
149.02345	2.1
173.04268	0.6
178.87801	0.5
185.04221	1.2
229.06860	3.1
271.04285	0.5
317.08435	38.8
318.08817	0.6
344.68378	0.5
487.21515	100.0
488.21942	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	487.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96074	0.4
69.07077	0.5
69.34235	1.7
85.02899	0.4
86.09705	13.3
87.75681	0.3
89.03897	0.4
100.69849	0.3
102.05514	0.4
117.03379	1.0
120.95345	0.3
133.02846	0.5
145.02844	3.2
148.06042	0.9
149.05977	0.4
155.03215	0.4
174.10887	0.3
177.05478	3.9
199.18082	2.4
203.05267	1.4
227.17542	2.7
261.14502	3.4
275.07413	1.8
293.14981	0.6
295.16245	0.4
311.16049	1.1
325.19913	0.8
333.07465	0.5
335.09464	26.4
336.09970	0.6
340.26038	0.5
344.49979	0.3
355.17264	2.3
365.10089	0.5
405.13303	0.5
487.21417	100.0
488.21817	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2156
Annotation	3"-Deamino-3"-hydroxykanamycin X
Peak:m/z	Relative Intensity
55.05491	1.0
70.33552	1.9
73.65906	0.8
80.15550	0.9
83.46792	0.8
183.37756	0.9
239.16446	1.4
305.31186	1.0
355.17261	8.3
367.10852	1.7
375.74515	0.8
487.21481	100.0
488.21771	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	487.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73522	0.6
61.22355	0.7
84.08132	0.8
86.09711	1.2
90.71165	0.6
94.12783	0.5
98.97577	1.0
105.82598	0.5
134.31166	0.6
137.05978	4.6
147.04445	0.8
167.83180	0.8
177.05504	1.1
201.03708	1.6
201.05498	6.0
203.05232	0.9
205.06516	0.9
207.06888	0.6
213.05446	0.9
231.06493	0.6
234.06821	1.8
235.07382	0.9
262.06277	2.2
273.05386	0.8
275.07529	1.1
277.08609	1.5
277.15524	0.6
290.05685	3.2
293.08224	0.8
305.08105	5.2
307.09552	0.9
325.10797	1.1
333.07913	41.8
335.09494	18.1
337.10681	8.5
337.14386	0.9
355.11734	6.2
371.11398	0.7
381.91739	0.6
487.21503	100.0
488.21912	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	487.216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75184	0.6
59.12533	0.6
65.18639	0.6
69.01650	0.5
76.52636	0.6
81.07068	0.7
89.74215	0.6
107.08602	0.8
109.47091	0.5
119.08528	0.7
121.10233	0.7
123.89331	0.6
135.08076	0.8
151.11240	1.1
162.32785	0.6
179.81210	0.6
186.00624	0.6
230.27493	0.7
239.16457	4.7
335.08188	0.6
355.17294	7.3
367.10992	1.4
487.21500	100.0
488.21765	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	487.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12993	2.6
51.22008	2.8
64.78201	2.6
65.40083	2.4
79.05487	5.4
86.09708	10.4
91.05473	3.7
94.25843	2.8
103.12343	3.8
105.86135	2.7
107.04964	8.3
117.03354	3.0
123.04428	7.4
137.05988	6.5
140.04639	4.7
153.05460	3.8
158.03624	5.1
167.07050	50.8
173.06012	7.3
177.05431	8.0
186.03101	4.1
189.07030	2.9
191.06985	4.2
191.08594	3.8
192.07762	5.4
201.05466	85.4
202.05891	3.9
203.06963	2.7
207.08025	3.4
213.05449	31.7
218.07289	3.4
219.08069	6.9
220.05020	3.1
231.06538	19.3
233.05931	3.5
234.06720	6.7
235.07549	10.8
236.08234	5.4
246.06818	3.7
247.07507	8.5
249.05515	5.1
251.03716	2.6
251.06998	5.6
260.04575	3.9
261.09100	3.1
262.06192	2.8
263.07071	11.5
264.07806	12.7
265.08597	5.3
267.10193	4.5
274.06281	11.0
275.07056	16.2
276.07800	4.2
277.04901	10.4
277.08334	4.4
279.06561	3.1
279.09955	4.0
280.07263	5.9
280.29532	2.6
288.04254	6.9
289.04868	5.9
290.05579	2.9
292.07281	17.1
293.08014	4.8
295.09680	10.4
302.05701	5.8
303.06494	35.0
304.07077	3.1
305.04398	12.3
305.07715	3.5
307.06326	3.4
307.09662	11.4
309.07529	4.1
317.08105	3.5
320.06808	29.2
322.08133	3.4
323.09061	6.9
333.07755	8.5
335.09137	68.0
336.09433	8.5
337.10553	13.8
351.08530	3.5
352.09271	6.8
355.11749	55.4
366.98981	10.2
367.11765	99.6
385.12805	16.4
427.01428	3.8
455.21655	5.6
457.23352	100.0
458.23663	5.2
468.25912	3.3
469.23163	4.4
487.22000	42.1
488.23083	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	488.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	5.0
65.03941	1.6
68.99788	2.9
70.77392	3.2
77.03930	26.0
79.01849	1.7
89.03898	2.1
93.03409	1.8
95.04954	6.6
105.02683	2.5
105.03391	39.8
105.04500	2.1
109.14639	2.0
115.33575	1.4
117.03334	1.6
118.87149	1.5
121.02850	4.8
123.04401	12.1
133.02853	100.0
134.03587	3.3
135.04408	6.5
137.02287	2.0
145.02888	1.9
147.04332	1.9
149.02406	7.6
161.02316	5.9
163.03891	31.5
179.03343	9.4
189.83101	1.8
191.03322	2.1
198.33617	1.6
265.03366	40.4
293.02716	10.8
321.03931	3.6
385.50641	1.7
435.07111	1.5
471.05286	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	488.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.8
59.29324	2.1
70.53503	3.7
72.08142	3.2
77.03930	29.0
84.08127	2.5
86.09692	3.4
89.03917	1.7
93.03381	2.9
95.04955	6.6
105.03391	48.3
105.04473	2.8
111.04441	1.9
115.08724	1.8
121.02866	5.6
123.04459	14.3
133.02847	100.0
134.03592	4.4
135.04417	5.2
137.02307	2.4
145.02840	5.3
147.04367	2.2
149.02353	12.0
151.03868	2.3
154.34550	2.2
161.02328	7.7
162.03088	2.1
163.02605	3.4
163.03902	38.3
179.03377	10.2
201.68704	2.5
231.13060	1.8
239.07060	1.8
265.03369	48.9
277.03583	2.2
284.96722	1.8
293.02823	13.1
295.04648	2.3
321.03833	3.8
406.90628	2.0
428.54712	2.0
430.22141	1.8
439.72134	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05253	2.0
55.05508	20.0
56.05031	3.2
57.03436	2.4
57.07066	5.7
63.82281	1.7
63.92656	1.5
65.03950	1.6
67.05505	28.5
69.07069	28.0
69.36738	1.4
69.66502	4.4
71.04986	3.5
71.08617	1.8
73.06564	1.7
79.05495	21.2
81.07059	76.1
83.04962	2.1
83.08620	10.2
84.04503	73.6
85.02913	2.1
85.06534	3.4
91.05474	16.1
93.07043	50.2
95.04950	4.2
95.08607	64.0
95.09219	3.0
97.06532	7.2
97.10168	12.4
99.08093	1.7
102.05544	44.5
102.20328	1.5
105.07027	38.9
107.08600	51.2
109.06519	2.3
109.10156	35.9
111.08066	5.3
111.11731	5.3
117.07041	2.8
117.96866	1.6
119.08582	40.4
121.10146	37.3
123.08100	2.3
123.11711	23.6
125.09660	7.0
130.05002	57.2
131.08542	4.7
133.10127	29.6
135.11684	21.8
137.09636	3.1
137.13306	2.6
139.11188	4.8
143.08583	2.2
145.10074	8.3
147.11691	29.1
148.06044	100.0
149.06317	2.2
149.13260	43.5
150.13554	1.9
151.11160	4.0
157.10172	1.8
159.11671	8.5
161.13269	14.9
163.11226	1.8
163.14818	9.5
165.12735	7.6
173.13258	2.3
175.14827	6.7
175.73300	1.3
177.12778	3.0
177.16446	8.3
177.17702	1.5
179.05774	1.7
179.14301	1.6
180.06429	1.5
185.13239	2.6
187.14723	3.1
189.16348	7.7
191.14330	2.5
193.15932	2.3
195.17491	2.8
203.18002	2.8
205.15895	3.1
213.16379	3.1
257.22589	1.9
259.24219	4.8
269.22650	6.5
275.23642	4.7
277.25244	6.7
286.16367	2.2
287.23666	11.0
293.24847	4.6
305.24783	29.3
323.25510	1.8
342.22571	1.5
352.92667	1.5
406.29477	5.8
422.29120	7.4
434.29080	14.0
440.30145	16.8
452.24039	2.0
452.30011	24.4
453.30713	1.6
470.30887	5.1
488.26120	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	488.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22738	3.6
54.37938	3.0
55.05508	17.6
56.05043	5.3
57.03434	5.2
57.07083	6.5
67.05497	21.0
69.07061	24.1
69.86662	8.8
79.05491	19.3
81.07053	74.8
83.08624	7.4
84.04495	70.0
85.02929	4.3
91.05492	12.8
93.07044	43.3
95.04966	6.0
95.08604	55.8
97.06531	9.2
97.10172	11.4
102.05543	42.0
105.07023	23.4
107.08592	50.3
109.10134	34.4
111.08078	6.1
111.11707	3.4
119.08597	29.5
121.10157	29.2
123.11713	19.1
125.09631	6.0
130.04994	46.6
133.02876	5.0
133.10127	24.3
133.89050	3.6
135.11696	19.4
137.09573	4.2
137.13226	6.9
139.11256	3.5
145.10117	11.7
147.11671	29.6
148.06047	100.0
149.13264	42.6
153.12741	3.4
159.11632	7.3
161.13242	13.0
163.14862	8.1
172.57253	2.9
173.13309	5.5
175.14799	6.0
177.16357	8.4
189.16330	4.1
199.14780	4.2
200.66568	2.8
259.24207	4.7
265.03287	3.8
269.22647	5.4
275.23721	3.9
277.24869	3.7
287.23654	10.0
305.24734	31.7
406.29736	3.4
422.29126	7.7
424.30356	4.3
434.28986	13.5
440.30121	18.0
452.30249	22.6
470.31238	7.7
488.21793	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	488.359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01637	0.5
52.02291	0.5
53.03930	0.5
55.05513	1.0
57.07077	85.6
57.14335	0.4
59.05013	0.7
67.05504	0.7
69.03465	0.6
69.07058	1.1
69.22075	1.4
69.22469	1.0
71.08644	1.7
73.06565	1.1
77.03945	1.7
79.05500	1.0
83.08633	0.6
87.04464	9.3
87.04945	0.8
89.06031	100.0
90.06381	1.0
91.05484	8.7
91.07592	1.0
93.07047	16.7
95.04980	5.8
98.09381	0.5
98.22679	1.2
103.05447	3.7
105.04520	2.4
105.07039	2.3
107.04989	1.1
107.07059	1.2
107.08601	1.9
109.06513	1.1
113.13262	1.2
117.06996	1.2
118.07802	5.6
119.04948	4.6
119.08588	6.0
121.06506	64.3
121.10146	1.7
122.06818	1.1
123.08077	0.8
129.07024	0.6
129.95378	0.5
130.08632	1.5
131.07021	1.0
133.08606	57.9
133.10201	1.7
134.08934	0.6
135.08037	3.9
135.11662	2.0
147.08046	14.8
147.09154	1.0
147.11592	0.5
149.09607	4.1
149.13261	1.3
150.06747	3.2
159.11679	2.2
163.07504	0.5
163.11162	2.3
163.89684	0.6
165.09116	29.7
167.10651	1.4
175.11313	0.5
177.11237	21.9
177.12721	2.3
184.71602	0.5
191.10686	2.1
204.26585	0.5
209.11739	14.0
211.13303	1.1
213.90752	0.5
217.16920	0.7
221.13864	2.4
227.12782	1.2
233.18994	24.5
234.19391	1.1
235.13278	2.5
253.14299	3.7
259.20609	1.3
265.16495	1.0
271.15359	6.1
277.21619	30.8
278.21979	1.0
297.16934	0.7
315.17941	3.3
321.24213	7.2
359.20630	88.4
360.20953	3.3
365.26590	0.7
427.30695	0.8
471.33173	55.6
472.33499	3.3
488.35889	4.4
489.35550	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.59702	0.1
65.24818	0.1
69.02190	0.1
71.45382	0.1
87.56476	0.1
95.95670	0.1
101.78915	0.1
107.88516	0.1
121.62169	0.1
146.06032	0.1
150.05467	0.4
153.21536	0.1
161.05930	0.2
162.05466	0.2
163.06277	0.2
164.07083	0.2
176.07126	0.3
229.15659	0.1
230.02834	0.1
241.09627	0.1
256.09604	0.2
265.07321	0.2
266.08069	0.3
267.08868	0.7
267.11316	0.2
269.09329	0.3
280.09607	0.1
282.07672	0.3
283.08066	0.3
283.10806	0.8
284.11609	1.7
294.07642	0.4
295.08362	1.1
296.09351	0.6
297.08685	0.3
298.10657	0.4
310.10776	0.8
311.10211	1.4
312.11035	25.7
313.11349	0.6
321.15213	0.1
327.13364	100.0
328.13730	2.9
489.18668	10.6
490.18979	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64615	0.5
63.02360	0.5
72.08135	0.7
75.31938	0.6
78.04694	0.6
84.08162	0.8
84.41605	0.5
86.09720	3.3
89.03915	5.8
91.05489	2.3
98.97599	1.0
100.07597	2.9
106.04209	0.6
117.03374	25.2
119.04945	5.1
133.02882	2.6
134.03632	1.1
135.04430	1.9
137.05988	3.5
145.02846	72.2
146.03169	0.9
147.04420	5.1
149.05978	10.5
150.06638	0.9
151.07587	1.3
161.05963	1.6
162.03220	0.5
162.06772	2.1
163.03897	0.7
165.05504	1.2
175.03893	3.9
176.04439	0.6
177.05469	100.0
178.05779	2.7
179.07030	10.6
180.07703	0.9
186.05542	1.2
192.06526	3.1
201.05479	4.6
204.06372	1.0
231.06409	1.2
242.71611	0.6
292.14142	1.6
305.08020	1.9
325.10629	6.7
327.13348	1.4
337.10696	5.4
341.09903	1.0
355.11786	8.1
373.12811	19.4
374.13037	1.2
424.17719	1.5
441.19958	2.2
471.20764	0.9
472.14557	0.6
472.19788	6.5
473.20093	0.8
489.22415	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	489.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75860	0.4
63.02395	0.7
69.50240	0.5
69.78770	1.0
69.79099	0.6
70.06592	0.7
72.99408	0.4
76.46881	0.4
85.02921	0.6
86.09713	1.7
88.87698	0.4
89.03918	6.5
91.05477	2.9
98.23458	0.6
100.07607	2.7
110.61571	0.4
117.03374	25.2
119.04941	3.8
121.06494	0.7
133.02863	4.2
134.03618	1.6
135.04398	1.5
137.05997	3.5
145.02843	67.8
146.03244	1.3
147.04388	4.1
149.05975	9.9
149.25777	0.5
150.06718	0.7
151.07536	1.4
160.95860	0.5
161.05962	1.6
162.06735	2.2
163.03937	0.9
165.05421	0.5
175.03932	3.8
177.05464	100.0
178.05826	1.7
179.07018	8.6
180.07695	0.6
186.05542	1.3
189.66243	0.5
192.06578	4.3
201.05429	5.1
204.06561	1.7
206.89864	0.5
231.06487	1.1
233.06003	0.5
233.18573	0.5
249.07645	0.8
262.06281	0.6
264.12115	0.4
265.08646	0.5
274.10648	0.6
275.11496	1.0
276.12299	0.8
278.96774	0.6
292.14185	2.7
293.08054	0.7
305.08035	1.6
321.28256	0.6
325.10666	7.3
327.13474	1.0
337.10730	5.9
341.03525	0.5
341.10410	2.2
351.56821	0.4
355.11765	10.8
373.12802	14.7
374.12994	0.8
424.17432	1.3
441.20291	4.1
471.20709	0.5
472.04874	0.5
472.19611	7.7
489.15955	0.6
489.22754	2.6
498.58029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.6
55.05515	11.9
57.03439	14.1
57.07076	2.8
67.05505	53.8
69.07066	11.6
69.92559	2.0
69.92908	2.8
71.04992	1.4
77.20757	1.2
79.05499	36.4
81.07056	50.1
83.08630	5.9
85.06534	1.9
88.70902	1.4
91.05488	23.2
93.06454	2.3
93.07047	44.1
95.04962	5.0
95.08607	36.7
97.06534	2.7
97.10167	1.9
98.98470	78.9
105.04516	1.7
105.07036	15.8
106.78864	1.2
107.08595	26.8
109.06512	2.1
109.10154	16.6
117.07016	5.7
119.08565	14.6
121.10141	20.0
123.08089	1.4
123.11709	10.1
131.08540	9.9
133.10123	12.2
135.11687	16.1
137.00012	2.9
137.13269	4.0
145.10138	9.3
147.11708	7.3
149.09691	1.6
149.13249	11.6
155.01047	67.1
159.11702	8.9
161.13261	6.6
163.14833	7.8
173.13251	8.8
175.14827	2.0
177.12857	1.8
177.16457	2.1
187.14828	3.2
192.85553	1.2
201.16454	1.7
211.03712	4.7
229.04697	7.0
233.22629	2.3
233.53857	1.1
243.21106	17.1
261.22116	29.9
262.22382	1.7
299.23654	2.5
317.24802	12.5
319.66885	1.2
335.25797	100.0
336.26035	3.4
415.22742	2.9
471.25146	13.6
489.26541	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	489.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19334	0.7
55.05511	4.3
57.03412	0.8
57.07055	0.8
62.19743	0.6
65.03906	0.9
67.05503	8.6
67.91894	0.5
69.07063	3.3
69.54735	0.6
71.04981	0.7
79.05489	5.6
81.07059	7.3
81.07523	1.1
81.62590	0.7
83.08585	2.1
89.97978	0.6
91.05479	5.4
93.07043	5.8
95.04951	1.0
95.08615	4.4
95.61137	0.6
97.06562	0.6
97.10175	1.0
105.07040	4.9
107.08573	3.0
109.10144	3.9
117.06969	2.7
119.08586	6.4
121.10081	2.0
125.09580	1.1
129.06979	1.4
131.08569	3.8
133.10123	3.5
135.11638	1.2
143.08492	1.9
145.10115	4.0
147.11647	1.9
149.13264	0.7
155.08504	0.7
157.10065	2.0
159.11685	2.9
161.13187	1.8
169.10011	1.2
171.11601	1.3
173.13191	0.8
175.14806	0.9
183.11650	1.0
185.13173	1.7
187.14742	0.9
197.13193	0.9
199.14734	1.4
211.14827	0.7
221.15158	0.7
236.14801	1.4
243.21095	0.7
317.20694	2.4
317.24240	0.8
377.26624	1.3
379.29822	3.0
397.31165	3.8
415.31824	1.2
471.34549	2.9
489.31409	100.0
490.31845	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	489.319
Annotation	Ser Val Lys Arg
Peak:m/z	Relative Intensity
52.32130	0.3
55.05494	0.9
60.34068	0.3
62.65681	0.3
67.05510	3.7
69.07063	0.5
69.55507	1.3
78.60764	0.3
78.99712	0.3
79.05487	1.2
81.07056	1.3
82.29680	0.3
83.08599	0.5
91.05494	0.8
93.07034	1.1
95.08607	1.0
105.07031	1.1
107.08603	0.7
109.10159	2.1
109.10857	0.4
114.71089	0.3
117.06959	0.4
119.08575	0.8
121.10149	1.1
131.08559	0.4
131.82919	0.4
133.10109	0.6
137.09598	0.3
145.10117	0.4
147.61943	0.3
173.11711	0.4
176.95622	0.3
195.09944	1.1
211.09393	3.3
317.20862	5.0
335.21945	0.6
489.31787	100.0
490.32114	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	489.3574
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
52.66236	0.6
53.03942	1.9
55.05515	15.8
57.03437	3.2
57.07078	2.1
59.05008	3.9
65.03946	2.6
67.05508	87.5
68.05845	1.1
68.50189	0.7
69.07071	12.1
71.05001	2.9
71.08639	0.7
77.03970	0.8
79.05495	27.4
80.06252	0.7
81.07059	32.1
83.05002	1.6
83.08627	8.3
84.43517	0.6
85.06561	2.6
91.05482	20.6
93.07048	29.3
95.04959	4.0
95.08607	23.5
95.09212	1.0
97.06555	2.3
97.10200	2.5
98.23462	1.2
99.08109	0.7
105.04557	1.8
105.07029	15.2
107.08605	17.9
109.10161	57.3
111.08132	2.7
117.07045	5.1
119.08588	19.4
121.10143	16.2
123.08095	0.9
123.11755	2.4
123.44621	0.6
125.09662	0.9
129.07036	1.6
131.08557	11.2
133.10124	10.7
135.11682	9.1
137.09694	3.0
137.13295	0.8
139.11235	0.9
141.07021	1.0
143.08540	1.5
145.10124	9.1
147.11688	6.8
149.09680	0.8
149.13240	4.3
154.69388	0.6
155.10655	3.1
157.10220	2.2
159.11722	7.0
161.13272	6.0
163.14882	1.6
169.10196	1.6
171.11778	2.8
173.11833	19.6
173.13356	5.4
175.14963	2.2
183.11774	1.5
185.13367	2.3
187.14891	3.1
189.16438	1.1
197.13362	2.0
199.14992	2.0
201.16476	1.1
211.15021	0.8
213.14851	1.3
229.14542	2.1
241.19666	1.2
243.21268	1.6
261.22153	8.9
285.22360	0.8
317.21463	1.2
317.24551	3.2
377.27505	1.0
379.30048	5.6
391.28690	1.0
397.31039	8.4
415.32596	2.3
433.33392	0.8
471.34747	6.3
489.36203	100.0
490.36774	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	489.3576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.6
55.01868	1.9
55.05257	1.0
55.05515	13.7
56.96565	1.1
57.03435	3.1
57.07070	2.1
59.04990	2.6
62.26480	0.7
65.03938	2.2
67.05507	79.3
68.05826	0.9
68.66979	0.7
68.77676	0.7
69.03442	1.0
69.07064	10.9
69.40520	0.7
71.04993	3.9
71.08619	0.9
79.05498	26.8
81.07059	35.9
83.05006	1.5
83.08625	7.6
85.06560	2.5
91.05480	21.0
93.07047	29.0
95.04974	4.4
95.08608	20.1
97.06564	1.5
97.10175	3.3
98.23618	1.3
105.04477	1.3
105.07030	17.1
107.08598	15.7
109.06525	1.3
109.10158	42.2
111.08094	3.1
113.05972	0.7
117.07024	7.3
119.08580	21.1
121.10149	11.5
123.08073	1.1
123.11744	2.6
125.09647	2.2
129.07022	2.6
131.08578	13.1
131.09561	0.9
133.10146	13.1
135.11694	8.0
137.09628	3.0
139.11188	1.1
143.08569	3.4
145.10114	12.6
146.10527	0.8
147.11687	11.3
149.13220	4.6
155.08594	1.9
155.10690	2.2
157.10162	3.2
159.11697	9.3
161.13272	5.6
163.11139	0.8
163.14818	1.3
169.10233	1.5
171.11708	4.3
173.11768	11.4
173.13297	6.5
175.14879	2.0
176.62227	0.7
183.11711	2.2
185.13231	3.4
187.14902	4.3
195.11736	1.0
197.13290	2.6
199.14850	2.2
201.16417	2.0
211.14902	1.4
213.14810	1.6
213.16571	1.3
215.18208	0.7
225.16383	0.9
229.14328	1.3
239.18089	1.1
243.21120	1.3
259.20670	1.2
261.22168	6.4
271.20746	0.8
273.22202	1.2
299.24002	1.0
317.24786	2.3
319.22784	1.0
369.31488	1.0
377.26935	1.5
379.29810	6.0
391.28452	0.8
395.21420	0.8
397.30957	8.0
398.30917	0.7
415.32150	2.2
433.33249	0.9
435.32437	0.9
447.24380	0.8
471.34738	6.2
489.35870	100.0
490.36176	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	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.0
55.01872	3.2
55.05513	19.9
57.03442	5.8
57.07061	4.9
58.06590	3.2
60.08175	1.6
61.66050	1.0
65.03938	1.9
66.80544	1.1
67.05508	46.0
69.03439	1.3
69.07072	13.7
71.04993	2.4
71.08609	1.3
71.46907	1.2
79.05497	23.6
81.07059	32.9
83.04968	2.0
83.08613	7.6
85.06528	2.9
87.04482	1.6
91.05480	29.3
93.07045	32.4
95.04977	5.1
95.08608	23.0
97.06516	3.7
97.10158	7.8
105.04551	1.4
105.07022	31.4
107.08592	17.6
109.06519	2.1
109.10152	18.2
111.08096	2.9
117.07028	13.0
119.08591	40.7
121.06509	1.4
121.10141	11.9
123.08050	3.6
123.11689	3.3
125.09628	4.7
128.06273	2.2
129.06979	7.4
131.08565	23.0
133.10124	16.0
134.16652	1.3
135.08116	1.6
135.11687	6.5
137.09608	2.4
141.06964	3.5
142.07828	1.5
143.08575	11.7
145.10132	23.3
145.17355	1.1
147.04402	1.4
147.11685	10.9
147.41757	1.1
149.09631	1.6
149.13284	4.1
155.08517	5.9
157.10133	9.2
159.11693	15.0
161.13213	10.1
163.14841	1.7
166.23662	1.1
169.10127	4.1
171.11699	9.1
173.11894	2.6
173.13261	9.0
175.11180	1.9
175.14832	6.1
183.11713	7.1
185.13239	8.0
187.14870	6.4
189.11217	1.4
189.16447	2.1
195.11745	2.3
197.13200	5.1
199.14813	4.8
201.16382	2.7
211.14836	4.4
213.16425	3.0
215.17847	1.9
223.14806	1.5
225.16441	2.1
227.18042	2.8
236.14969	7.2
237.15282	4.0
239.17932	1.5
241.19440	3.2
243.20927	2.6
253.19496	1.9
255.21077	2.2
261.22134	3.9
267.21100	3.2
269.22623	1.9
283.20749	1.4
285.22021	4.9
287.23761	2.2
299.23596	2.4
303.23254	1.5
311.23703	1.3
317.20856	4.6
317.24567	2.7
323.23648	2.1
341.24707	1.5
377.26733	3.4
379.29953	15.9
391.28540	2.8
397.31033	24.7
398.31119	1.4
405.29932	2.2
415.32059	3.5
433.32932	3.1
435.32593	1.3
452.12097	1.5
454.32272	1.3
455.64932	1.2
471.34348	19.5
489.30923	22.6
489.36810	100.0
490.36084	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.5
55.01876	1.0
65.14043	0.9
66.61313	0.9
67.05495	1.3
69.03429	3.1
70.06596	2.8
70.60729	2.1
73.02924	1.9
81.03410	3.6
81.07053	3.5
85.02905	23.1
86.09704	2.1
87.00855	2.3
91.05500	4.6
93.07081	2.0
97.02898	2.8
99.04416	1.3
105.01891	2.1
105.07040	9.0
107.08604	3.1
107.19460	0.9
109.02873	2.7
109.06545	1.3
109.10195	1.8
117.07069	1.5
119.08589	11.6
121.10171	1.8
123.11703	17.5
125.05955	1.2
125.09605	1.0
127.03902	5.0
130.07791	1.3
131.08603	2.8
133.06523	5.2
133.10184	1.0
135.08163	1.2
137.05913	1.1
143.08551	1.1
145.02870	2.8
145.04993	1.5
145.10123	15.7
147.08073	1.8
147.11693	22.0
147.12869	1.4
149.09621	2.8
156.09354	3.6
159.02776	1.4
159.07962	1.2
163.03937	1.6
163.41956	1.0
167.10709	1.4
171.11722	4.6
174.10403	1.3
177.05516	2.8
189.12749	100.0
190.13054	2.9
207.13803	21.2
208.14285	1.3
224.16544	1.2
225.14915	6.3
231.04945	1.9
490.26999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
53.63156	1.0
55.01875	4.4
55.05513	2.9
57.03433	2.9
57.07080	2.0
59.05005	2.2
61.02901	2.5
65.03931	1.3
67.05507	3.6
68.99791	2.0
69.03433	14.2
69.07062	5.1
69.26717	4.3
71.04998	5.7
73.02898	3.1
79.05511	5.7
81.03421	15.5
81.07060	19.3
83.04964	3.2
85.02907	36.6
85.06548	5.3
87.00832	16.0
87.04435	1.9
88.60395	1.1
91.05479	6.0
93.07050	5.2
95.04972	5.8
95.08585	9.1
97.02893	16.8
97.06519	5.4
98.39147	1.1
99.04464	6.9
99.08085	1.2
105.01879	12.6
105.07026	13.2
107.08603	40.6
109.02887	15.6
109.06523	32.4
109.10172	3.3
111.08060	3.3
111.11734	3.6
115.04001	1.1
117.01871	1.5
119.08580	9.0
121.10146	21.1
123.08074	35.8
123.11709	7.5
125.05973	2.4
125.09630	7.2
127.03919	24.8
129.01907	2.0
131.08575	7.4
135.11713	2.3
137.09590	3.0
137.13271	6.5
139.11215	2.7
143.08502	1.5
145.04967	7.7
145.10117	5.6
147.02893	1.8
147.11696	30.0
148.11942	1.2
149.09616	38.9
150.09969	1.2
151.07538	42.6
156.09357	2.5
159.02873	6.8
159.11671	1.1
161.13271	4.4
163.11151	2.5
165.12761	33.4
167.10689	14.2
171.11737	7.7
179.14325	17.8
183.13754	8.2
189.12752	17.5
207.13805	100.0
208.14168	2.6
213.03835	1.1
225.14839	18.1
231.04956	5.1
233.13918	1.2
271.51392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
55.01869	7.3
55.05510	2.8
56.99353	1.3
57.03435	9.9
59.05006	1.8
61.02920	7.8
64.49247	1.5
65.03943	1.2
67.05499	1.8
68.99805	1.5
69.03432	26.4
69.07066	1.4
69.29017	5.6
71.01348	1.3
71.04991	8.3
73.02922	28.9
77.70227	1.1
79.05516	2.6
81.03420	13.8
81.07041	2.7
83.04973	4.7
85.02905	69.3
85.06560	1.8
86.09721	1.4
87.00835	13.9
87.04459	2.2
91.03961	2.2
91.05482	2.9
93.07053	4.0
95.04992	2.1
95.08613	7.9
97.02895	34.7
97.06540	4.3
98.03220	1.8
99.04479	8.9
99.08108	1.5
105.01876	16.6
105.07039	5.0
107.08598	6.1
109.02879	13.3
109.06509	5.7
109.10178	2.7
111.04498	2.5
115.03931	10.6
117.01859	1.3
118.81262	1.2
119.08577	8.0
121.06449	1.2
121.10143	10.9
123.04482	1.5
123.08073	100.0
123.11659	1.8
124.08429	2.0
125.06013	7.5
125.09645	1.4
127.03914	31.9
127.07509	1.5
128.04224	1.2
129.01888	1.2
129.05499	1.6
131.08583	1.6
133.04967	11.4
133.10146	4.2
135.08037	2.9
135.11734	2.6
137.09642	3.7
145.04970	26.7
145.10115	2.0
147.02998	1.4
147.06519	1.3
147.11716	6.4
149.09598	5.6
150.07643	2.3
151.07555	4.4
151.11160	6.3
153.09116	2.2
159.02879	4.9
160.97336	13.9
161.13303	3.2
163.06024	5.8
163.11186	6.9
165.12784	2.2
167.07034	4.7
167.10686	3.0
173.05952	1.3
179.10583	1.7
181.05063	1.4
181.12234	10.3
189.11266	1.8
189.12700	8.0
207.13809	27.5
208.14188	1.5
223.06027	2.9
225.14853	48.4
226.15178	2.2
231.04935	6.1
241.07095	2.4
249.05801	1.2
259.08145	2.7
473.19916	1.6
490.27255	4.8
490.33643	3.5
491.15173	2.1
491.21445	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	490.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	3.1
55.05520	6.2
57.03442	3.0
62.06087	11.6
66.98045	3.0
67.05510	13.0
69.07069	7.8
74.78434	2.4
79.05492	14.7
81.03424	2.9
81.07055	18.7
81.99570	3.2
83.05014	4.4
91.05500	8.3
93.07053	17.0
95.04913	4.7
95.08606	13.0
98.98466	22.0
105.07034	16.8
107.04951	6.4
107.08570	12.8
109.06519	8.3
109.10141	3.9
117.07037	7.7
119.08611	11.7
120.09814	2.5
121.06494	9.8
121.10213	5.6
123.08097	5.3
123.11754	3.6
131.08571	17.5
133.06567	3.3
133.10161	12.0
135.08113	3.7
135.11716	3.3
140.81772	2.5
143.08569	3.6
145.10144	14.0
147.08040	3.9
147.11699	9.4
149.09604	5.0
149.13269	6.8
151.07559	4.5
151.11258	3.4
155.00996	5.6
157.10106	3.6
159.11713	11.6
161.09689	3.0
163.11244	5.1
167.07027	6.1
171.11832	3.5
173.05998	3.2
173.13246	4.7
188.08331	9.5
201.12782	5.0
211.84009	2.6
213.09171	3.1
221.08070	3.2
247.20615	4.5
257.19095	6.6
259.09695	8.5
275.20062	75.1
279.24835	3.6
293.21054	7.9
318.24429	3.8
349.23724	100.0
404.77148	3.1
429.20432	80.9
430.20718	5.7
437.16156	3.4
447.21588	22.1
460.13681	3.5
472.24210	6.3
490.25406	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05509	5.3
57.03440	3.4
57.07063	0.7
63.31188	0.7
67.05510	9.0
69.03423	1.1
69.07071	6.8
71.05003	1.1
76.60348	0.7
79.05488	9.0
81.06619	1.2
81.07054	12.6
83.04985	3.4
83.08614	1.5
86.09698	0.7
91.05479	8.0
93.07047	11.9
95.04972	3.8
95.08601	8.3
97.06533	2.1
97.10170	1.1
98.55354	0.7
98.98477	1.1
105.07028	10.8
107.04965	4.9
107.08601	7.3
109.06521	4.7
109.10139	3.8
114.06238	0.6
117.07012	3.4
119.08581	6.9
121.06510	5.9
121.10151	5.0
123.08089	2.2
123.11733	1.4
129.06993	1.0
131.08575	7.1
133.06505	1.7
133.10135	7.7
135.08083	2.3
135.11717	3.1
137.09451	0.7
143.08585	1.7
144.09402	0.8
145.06458	1.3
145.10120	7.0
147.08067	1.4
147.11688	5.2
149.02348	0.8
149.09634	2.9
149.13277	1.4
151.11203	2.1
155.08499	0.9
157.10095	1.8
159.08015	0.9
159.11699	3.8
161.09648	2.4
161.13264	1.9
163.11212	2.7
171.11691	1.4
173.09685	0.8
173.13237	2.3
175.11163	2.4
177.12900	0.8
179.14395	1.0
183.11749	0.7
187.11179	0.8
191.14359	1.7
194.99232	0.8
197.13268	1.0
201.12744	1.3
201.16486	0.9
207.13892	1.2
215.14114	1.1
215.17914	1.2
219.13794	1.8
219.17444	1.2
229.19458	1.0
247.20659	1.3
257.19052	5.0
274.21829	0.7
275.20071	39.1
276.20377	1.7
280.33640	0.7
293.21124	7.5
318.24255	0.7
349.23730	100.0
350.24237	3.4
429.20456	1.3
490.25525	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	490.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01864	1.2
55.05511	4.3
57.03442	16.3
57.07071	1.2
59.04990	1.3
66.11543	0.8
67.05505	13.6
69.07071	4.3
69.94783	1.4
69.95099	1.0
79.05489	11.7
79.94888	0.7
81.03429	1.4
81.06617	1.3
81.07056	13.2
83.04955	1.9
83.08620	3.2
85.06547	4.4
91.05483	20.4
93.07045	19.6
95.04958	2.8
95.08610	9.6
97.06522	1.9
97.10166	1.3
99.04461	4.4
105.07038	14.3
107.04961	2.6
107.08597	10.8
109.06525	3.9
109.10154	4.4
111.08092	1.1
113.69061	0.7
117.07003	5.9
119.08584	15.3
121.06544	1.0
121.10170	6.1
123.08083	2.0
129.06979	1.8
131.08580	10.2
133.10149	9.4
135.08025	1.3
135.11696	5.2
137.09616	1.8
141.06935	0.8
143.08548	2.3
145.10139	6.6
147.11671	3.1
149.09621	1.3
151.83209	0.7
153.12737	1.1
157.10127	1.7
159.11743	4.5
161.13277	1.9
163.11176	1.1
169.10126	0.9
171.11613	0.7
173.13292	2.4
175.14838	1.2
183.11597	1.1
185.13309	2.9
201.03802	0.9
201.16385	3.2
203.14308	2.5
209.15402	1.5
217.15776	1.0
219.17447	58.4
257.18988	1.5
275.20065	10.1
315.10141	0.9
318.24371	2.5
349.23746	100.0
350.24167	3.0
429.20422	1.0
461.86502	0.7
464.23676	0.8
490.25912	3.5
514.68524	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01877	2.7
55.05517	15.6
57.03444	4.9
62.06080	1.5
65.03931	0.6
67.05508	16.9
67.05865	1.0
69.03408	1.6
69.07076	4.0
69.51080	2.7
71.04987	2.2
79.05499	32.7
81.03412	1.3
81.07062	12.1
83.04990	8.6
83.08636	3.5
85.06531	0.9
91.04939	1.0
91.05482	11.6
93.07050	18.9
94.42674	0.5
95.04978	4.1
95.08607	5.1
97.06506	1.5
97.10180	6.1
98.23463	0.7
98.98469	1.4
105.04522	0.9
105.07039	11.2
107.04958	9.4
107.08601	21.4
109.06548	1.8
109.10172	8.1
111.08082	1.5
115.05328	0.6
117.07037	4.6
119.08591	8.7
121.06520	1.0
121.10149	7.5
123.08050	1.2
123.11707	1.4
125.09628	4.8
128.20010	0.5
129.07040	0.7
129.10425	0.6
131.08580	4.9
133.10146	7.2
133.63159	0.6
135.08080	2.1
135.11719	1.5
145.10139	3.6
147.11705	4.1
149.09631	18.2
153.09135	2.5
155.08685	0.6
155.10689	0.8
155.12012	0.6
157.10185	1.1
159.11653	2.9
161.13264	1.5
163.11200	1.6
163.14847	1.4
169.12288	1.5
171.11743	0.8
173.11739	1.9
173.13284	2.0
189.11214	2.7
196.13309	1.0
209.15375	2.6
216.06381	1.7
227.12766	0.7
229.19595	1.4
239.17863	0.6
252.66379	0.7
257.19028	4.3
263.29312	0.6
275.20078	17.1
293.21143	0.6
318.24234	2.0
349.23752	100.0
350.24139	4.3
409.16177	0.6
429.20380	2.0
447.20953	0.7
490.25449	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	490.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	6.5
66.14358	0.9
67.05524	1.3
67.48782	0.8
69.03468	1.3
69.29430	5.4
70.06600	3.0
73.06538	2.2
77.06055	1.2
85.06520	1.4
85.77995	0.9
87.04469	28.2
88.03414	1.1
88.04830	1.2
89.06033	71.3
95.08610	3.9
97.02857	1.0
103.03945	100.0
103.07578	3.2
103.42043	0.8
107.07090	2.2
119.07069	1.1
119.08713	0.8
121.08624	2.1
123.08070	2.3
131.07053	8.5
133.08609	45.1
137.06006	1.1
137.09627	2.1
145.02849	2.6
147.06511	10.7
149.09602	2.2
161.87575	0.9
163.09668	2.4
167.07043	2.0
171.02519	1.0
175.09650	4.8
177.05460	2.5
177.11215	17.3
181.04977	1.5
189.12727	1.1
191.09407	5.5
201.05521	1.4
202.05914	2.2
207.12263	3.9
207.13962	5.0
219.12300	1.8
221.13901	4.3
235.11781	7.1
239.14854	1.2
251.14894	1.1
265.16452	1.3
279.14294	2.8
283.17386	1.6
291.06134	1.0
306.08359	1.2
329.11127	1.9
338.11182	1.9
427.25510	1.5
460.21100	1.2
473.25919	12.2
490.22348	1.3
491.15778	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	490.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.13939	0.4
56.05023	0.5
57.57377	0.4
58.06618	0.4
60.08163	5.6
67.05498	0.8
71.07368	2.8
81.07051	0.8
82.58998	0.4
86.09704	28.7
87.79099	0.4
91.72739	0.5
93.07034	0.5
94.25468	0.4
98.98470	3.1
104.10741	2.6
125.00000	19.2
138.89810	0.5
149.02374	3.8
149.03430	0.8
154.45239	0.4
184.07338	100.0
185.07639	1.3
193.04973	0.8
328.02277	0.5
373.07602	0.5
376.22208	0.5
403.10214	1.3
429.11853	1.1
472.28137	1.0
473.14166	4.0
474.14499	0.6
479.88022	0.6
490.29431	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	490.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.4
51.19085	0.3
52.09037	0.4
53.03938	1.0
55.05262	0.4
55.05516	6.4
56.05034	0.8
57.03181	0.6
57.03439	6.6
57.07065	0.9
58.06602	23.7
63.42844	0.2
65.03931	1.0
67.05505	28.2
69.03404	0.4
69.06710	0.4
69.07072	5.8
71.04984	0.5
71.42123	0.3
71.82647	0.3
76.07642	0.3
76.10873	0.3
79.05495	14.9
81.07057	23.0
83.04984	0.8
83.08633	2.3
85.06548	0.5
91.05486	5.8
93.07047	14.9
95.04970	1.6
95.08607	18.4
96.08868	0.5
97.06519	1.1
97.10164	0.6
105.04525	0.7
105.07024	5.2
107.08586	7.1
109.06522	0.9
109.10158	7.2
117.07013	1.0
119.08588	2.6
121.10150	5.1
123.11682	1.2
131.08562	1.9
133.10118	2.0
135.11700	2.2
137.04443	0.3
137.13307	0.5
145.10095	1.6
147.11678	1.1
149.13239	0.8
156.04219	4.7
159.11671	0.7
161.13251	0.7
163.14919	0.4
173.13237	0.5
175.14876	0.4
190.34775	0.3
230.07918	0.5
261.22134	0.7
272.83319	0.4
273.38721	0.3
335.25797	100.0
336.26160	5.1
446.50186	0.3
459.94467	0.4
481.08072	0.3
491.27457	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75594	0.2
52.37617	0.2
55.05516	1.0
56.05040	2.0
57.03433	0.6
57.07063	0.3
58.06601	100.0
59.06929	0.7
67.05505	4.0
69.07071	0.8
69.73236	0.8
76.07642	5.2
79.05497	2.5
80.48031	0.2
81.07059	3.4
83.08630	0.7
91.05499	1.0
93.07053	2.6
95.04976	0.3
95.08611	2.7
96.85773	0.2
97.06515	0.4
98.23444	0.2
100.64197	0.2
105.07072	1.0
107.08577	1.3
108.21468	0.2
109.10191	0.8
115.26208	0.2
119.08566	1.1
121.10147	1.3
123.11737	0.3
131.08562	0.4
133.10153	0.6
135.11761	0.7
145.10141	0.4
147.11710	0.4
149.13332	0.3
154.94203	0.5
156.04225	0.6
159.11736	0.4
172.95287	0.4
179.98151	0.3
230.07974	1.0
243.05885	0.3
317.24527	0.3
318.28058	0.4
328.93109	0.3
329.20465	0.2
335.25790	20.2
336.26215	0.9
431.21979	0.3
447.18521	0.7
472.28238	1.9
490.22711	0.5
490.29120	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	490.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05286	1.6
55.05514	12.2
56.05018	2.4
57.07071	5.3
67.05504	19.9
69.03398	1.5
69.07069	21.7
69.48271	4.2
71.04982	1.5
71.08621	1.9
72.80757	1.3
79.05500	12.1
81.07058	66.4
83.08614	11.3
84.04503	65.5
85.02890	2.4
85.06535	3.4
91.05488	5.6
92.78021	1.4
93.07050	21.8
95.04942	1.3
95.08603	59.4
97.06523	2.2
97.10143	7.7
99.08111	1.9
102.05544	34.2
105.07010	11.6
107.08584	23.9
109.10163	33.5
111.08089	3.1
111.11718	3.8
119.08589	9.3
121.10142	20.2
123.08038	1.3
123.11704	20.9
125.09626	3.6
128.82568	1.4
130.05006	59.0
130.79333	1.3
133.10094	6.1
135.11703	14.2
137.09642	1.3
137.13246	8.0
139.11119	2.6
145.10106	4.0
147.11690	4.6
148.06044	100.0
149.13268	11.3
151.11140	4.1
151.14825	8.9
159.11688	4.8
161.13271	5.0
163.14828	5.1
165.12761	2.8
173.13264	3.1
175.14848	3.1
177.16380	4.2
187.14842	1.5
189.16389	3.8
191.17931	5.9
201.16504	2.6
203.18005	2.0
215.17879	2.0
219.17442	2.7
259.24207	3.2
271.24164	4.6
272.14941	2.7
277.25296	7.2
280.64233	1.3
286.16476	11.7
289.25342	18.0
307.26303	4.0
340.20969	1.6
342.22751	2.7
356.24365	1.6
366.22647	4.9
380.24335	3.5
406.29559	2.0
424.30560	50.3
425.30832	1.8
436.30499	27.0
454.31668	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	491.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18905	1.3
59.26538	1.4
70.05083	3.2
70.06594	2.0
86.09719	2.9
89.03930	6.1
90.90276	1.4
91.05470	2.3
98.22808	1.7
117.03382	27.2
119.04939	2.7
134.03595	2.0
135.04378	2.2
143.88429	1.5
145.02855	71.4
146.98062	1.4
147.04398	3.1
149.06007	11.3
160.87608	1.5
163.03838	3.6
167.07054	2.7
175.03923	1.9
177.05470	100.0
179.07059	7.2
197.08015	2.0
201.05460	4.9
209.08102	14.6
221.75571	1.7
265.15497	3.4
325.10828	2.4
337.10651	2.2
341.09720	1.8
355.11679	4.4
373.12869	4.4
473.22696	7.4
491.23779	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	491.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83484	1.4
52.61392	1.5
58.93980	1.5
70.06600	1.8
71.45207	1.8
72.08163	8.9
89.03921	7.0
89.10799	4.7
115.08659	2.7
117.03384	11.9
135.04451	9.9
145.02859	51.7
147.04465	5.3
149.06013	2.8
153.18015	1.6
163.03911	51.1
177.05478	100.0
248.12802	5.9
249.15756	3.1
265.13065	32.6
265.15506	69.8
266.15955	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	492.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99241	0.3
58.05187	0.4
63.02365	0.5
70.57752	0.5
79.05492	1.2
79.69194	0.4
87.30663	0.4
89.03922	7.6
94.58083	0.4
107.04932	2.2
117.03373	9.8
135.04410	17.2
141.35771	0.4
145.02840	13.0
163.03899	100.0
164.04211	1.5
177.05438	0.4
251.41476	0.3
295.04492	4.4
363.55835	0.5
366.35242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19117	0.6
56.96554	0.6
79.05487	1.0
86.09706	1.5
87.58263	0.5
89.03921	3.5
91.93752	0.7
103.05437	0.8
105.07036	0.8
107.04967	1.3
117.03368	3.4
123.02651	1.0
130.04083	0.6
131.04942	1.3
132.10185	1.2
134.01862	1.5
135.02713	0.9
135.04391	5.2
145.02859	4.3
147.04420	1.1
151.02089	2.3
161.00562	0.7
161.05927	0.8
162.01341	6.3
163.02135	1.7
163.03906	27.2
167.07040	12.2
174.79579	0.5
175.03836	0.8
176.04645	0.8
176.07034	0.8
177.05566	0.7
179.01605	3.4
181.03165	0.9
189.42928	0.6
190.00836	6.7
191.01476	1.4
191.07051	5.0
192.06351	1.3
192.07991	2.9
193.03165	0.9
193.08537	0.9
194.09396	1.5
198.97650	1.1
207.08952	4.3
208.01840	6.1
213.05722	0.9
216.98753	1.1
223.04227	100.0
224.04500	2.4
228.98668	0.8
295.04300	1.0
300.09091	1.4
301.00620	0.7
312.09003	19.0
330.06827	1.9
330.10132	3.4
342.07013	1.5
348.08276	0.8
360.08072	1.3
372.08121	0.8
373.85315	0.7
492.16550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32155	0.7
55.12475	0.7
57.03432	1.8
58.96695	0.6
61.54593	0.6
64.86416	0.6
69.46015	3.3
70.06573	0.7
71.01334	0.8
71.04636	1.2
71.05000	15.8
72.47688	0.7
73.02916	0.8
75.04484	2.0
83.04971	2.5
85.02404	1.0
85.02908	18.8
104.97535	0.7
111.04436	1.3
117.03348	1.5
117.16923	0.7
125.05992	2.5
127.03958	0.8
129.05478	6.4
131.22165	0.7
135.04384	0.7
136.55118	0.7
145.02844	2.8
146.03247	0.8
147.06534	3.5
163.03922	1.8
167.07042	100.0
177.05527	3.7
178.05814	1.8
193.08298	1.0
209.08054	1.2
231.53526	0.6
255.08623	0.7
474.23059	0.8
492.23828	1.0
496.34201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.1
55.05515	3.0
57.03448	1.6
57.07076	1.0
59.43153	0.3
62.06080	1.0
63.95076	0.3
67.05508	4.0
69.03439	0.3
69.07070	3.2
69.09246	0.3
71.04990	0.4
71.08629	0.4
72.87931	0.3
79.05498	4.3
81.07058	22.7
83.04986	2.2
83.08636	1.7
91.05479	1.4
93.07040	3.5
95.08615	4.3
97.06564	0.7
97.10150	0.3
98.98442	0.6
101.09666	0.4
105.07048	2.0
107.08603	4.2
109.06525	9.8
109.10162	3.0
111.04445	13.8
111.08085	0.7
113.05999	0.5
119.08584	3.8
121.06422	0.4
121.10155	3.2
122.24808	0.3
123.08070	1.6
123.11717	1.6
125.05993	4.3
131.08571	1.8
133.10129	4.0
133.40904	0.3
135.08043	2.4
135.11697	4.0
137.05978	100.0
137.13275	1.7
138.06337	1.1
139.07565	0.7
143.08560	1.0
145.10138	1.1
147.08052	1.8
147.11687	5.1
149.09637	3.5
149.13272	1.2
151.07576	2.3
151.11240	0.8
157.10135	1.6
159.11708	0.8
161.09622	5.2
161.13237	2.0
163.03928	0.4
163.11186	2.7
163.14799	0.9
165.09148	1.8
165.12796	0.6
165.30777	0.3
167.10619	0.7
171.11662	1.2
171.64526	0.3
175.11185	4.9
175.14777	0.7
177.12732	0.9
179.10666	1.7
185.13292	0.5
189.12767	1.1
191.14256	0.4
193.12274	1.2
198.05304	0.6
203.17934	5.4
205.19598	0.6
205.98990	0.3
207.13924	0.3
213.16415	2.6
216.06367	1.1
221.18932	1.8
231.17421	6.4
237.93233	0.4
241.15924	0.7
249.18530	5.4
276.19592	0.5
277.17987	48.4
278.18393	1.1
295.19037	6.7
320.22208	3.0
351.21655	80.6
352.21851	2.0
431.18185	1.2
474.22595	0.4
492.23346	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28573	2.3
53.03940	4.7
55.01865	7.4
55.05505	8.0
57.03439	5.9
57.07070	5.1
61.02905	5.1
67.05498	9.2
68.99770	2.6
69.03427	21.4
69.07063	8.4
70.05250	5.9
71.04987	7.7
72.33485	2.3
73.02901	2.6
79.05492	23.7
81.03419	25.9
81.07053	54.5
83.04984	23.1
83.08608	7.9
85.02903	50.8
85.06555	4.6
86.09698	3.5
87.00829	23.2
87.04427	2.2
91.05478	9.6
93.07045	26.9
95.04964	68.9
95.08607	15.9
97.02895	24.5
97.06509	12.1
98.24631	2.3
99.04456	19.8
105.01852	19.4
105.07024	33.6
107.08593	39.2
109.02863	21.9
109.06516	95.5
109.10150	34.0
111.08048	5.5
115.03881	3.2
117.06998	2.3
119.08586	24.9
120.08065	2.4
121.06429	2.4
121.10152	30.5
123.08073	11.2
123.11713	13.5
127.03901	43.0
129.01837	3.6
131.08556	22.0
133.10123	89.8
134.10481	2.0
134.57851	2.2
135.08031	16.1
135.11719	15.7
137.09587	3.6
139.10139	3.6
139.11162	22.5
143.08542	6.0
145.04971	13.3
145.10126	16.6
147.11670	15.6
149.09616	4.8
149.13271	21.8
151.11159	9.5
153.09076	26.8
158.10918	11.1
159.02910	9.9
163.11221	3.9
163.14821	8.6
165.12718	4.0
167.14285	5.5
173.13254	72.5
175.14906	2.6
191.14296	100.0
192.14569	2.4
209.15359	73.5
227.16389	9.4
231.05006	9.7
284.79361	2.2
293.83759	2.2
457.20551	2.9
492.20740	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	492.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.01863	0.9
55.05507	0.9
57.03432	0.7
67.05496	0.9
69.03436	1.9
69.07050	0.6
69.29393	0.7
69.29794	1.0
70.06554	0.3
71.04985	0.7
71.77084	0.4
79.05500	1.6
81.03411	1.3
81.07053	3.7
83.04973	1.5
83.08586	0.7
85.02903	3.8
86.09716	0.3
87.00835	1.8
89.98521	0.3
91.05465	1.2
93.07056	1.4
95.04971	5.1
95.08620	1.0
97.02869	1.7
97.06534	0.7
99.04449	1.2
105.01851	1.5
105.07022	2.1
107.08604	2.6
109.02872	1.9
109.06519	6.2
109.10157	2.7
119.08584	1.1
121.10133	1.9
123.11677	0.4
127.03909	2.6
131.08588	1.1
133.10121	7.0
135.08049	1.1
135.11723	1.0
139.11186	1.3
145.04977	1.4
145.10114	0.7
147.11681	1.5
149.13243	2.1
151.11182	0.7
153.09108	2.6
158.10931	0.9
159.02910	0.8
163.03877	2.0
173.13260	5.0
191.14299	7.9
209.15384	4.7
227.16383	0.7
231.05002	0.5
353.47397	0.5
356.04788	0.4
408.23376	0.4
491.29916	11.9
492.30237	100.0
493.29935	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	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11862	0.8
51.02365	0.8
51.60481	0.7
53.03939	2.2
55.01873	3.7
55.05510	1.5
57.03429	3.2
57.07079	5.9
61.02915	2.2
62.45624	0.8
67.05497	7.6
69.03429	12.0
69.07066	3.5
69.29012	0.7
69.32047	4.3
69.32343	0.7
69.90362	1.0
71.04999	1.6
73.02918	1.6
75.04474	3.7
79.05491	42.8
81.03416	8.6
81.07056	11.2
83.08605	1.2
85.02902	36.0
87.00826	13.1
91.05473	8.5
93.07041	46.0
95.04966	3.8
95.08598	4.3
97.02900	8.6
97.06506	1.9
99.04447	3.5
105.01859	16.4
105.04494	1.1
105.07037	2.8
107.04985	2.1
107.08584	27.7
108.04474	1.0
109.02876	11.1
109.06520	1.7
117.07006	2.0
119.08598	1.5
121.06496	1.7
121.10167	4.8
127.03899	20.4
129.01785	1.0
131.08578	1.3
133.10150	7.9
135.08073	2.4
135.11685	76.2
136.12035	1.4
137.01227	0.8
139.07506	10.9
145.04938	7.9
147.02797	0.8
149.13249	40.5
151.11247	0.7
153.09114	3.5
153.12740	1.4
158.75998	0.9
159.02910	5.7
159.11682	2.9
164.46646	0.7
165.09125	1.7
177.12732	33.8
178.66458	0.8
195.13731	1.7
209.15355	100.0
210.15688	1.8
213.03873	1.1
218.41814	0.9
227.16428	2.2
231.05013	6.1
249.06111	2.6
323.78381	0.8
330.21118	1.0
340.73535	0.8
345.26077	1.0
509.20627	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05695	2.2
51.35530	2.4
53.03935	7.1
55.01871	7.5
55.05513	6.1
57.03423	4.0
57.07077	45.3
65.67306	2.2
67.05500	8.1
69.03439	12.3
69.07063	5.0
71.05001	4.6
73.02906	2.8
79.05482	9.5
81.03422	15.1
81.07066	21.2
83.08627	2.7
85.02905	30.3
85.06547	49.5
87.00822	10.9
87.43411	2.4
91.05495	8.7
93.07047	14.3
95.04941	2.9
95.08626	17.4
97.02897	18.3
97.06510	4.5
99.04451	8.0
105.01868	7.6
105.07051	6.1
107.04952	2.8
107.08602	11.5
108.04462	3.3
109.02879	14.6
109.06508	25.1
109.10144	11.2
113.09647	3.2
119.08561	4.5
121.06512	4.1
121.10173	6.5
123.11767	2.6
125.09590	2.8
127.03907	20.1
131.08661	4.1
135.08046	7.2
135.11783	2.6
137.05937	4.0
145.04956	10.9
147.07971	2.7
147.11649	3.1
149.09572	4.0
149.13246	10.6
152.04707	7.3
153.05513	3.3
159.02905	8.1
163.11140	2.4
163.14833	2.4
165.05406	2.5
165.16461	5.5
167.07059	27.9
173.13225	3.9
177.07797	5.7
191.14310	25.2
192.14680	2.5
209.15390	100.0
227.16408	86.5
227.18604	4.4
228.16763	2.8
231.05032	4.3
246.14925	4.1
291.19516	13.1
300.91177	2.6
333.17471	2.5
344.92160	2.6
456.80521	2.4
475.26962	47.0
492.30487	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.7
55.01876	3.4
55.05515	4.1
55.41217	1.1
57.03439	5.5
59.04984	1.9
61.02928	3.8
67.05507	3.8
68.99828	1.5
69.03429	15.3
69.07063	3.7
69.11996	8.3
71.04996	4.6
73.02917	3.0
79.05499	4.1
81.03427	11.8
81.07073	9.9
83.04991	2.3
83.08629	3.2
83.55635	1.1
85.02908	40.0
85.06536	3.1
87.00830	17.9
91.05496	4.3
91.42747	1.3
93.07065	6.3
95.04969	15.8
95.08601	8.4
97.02892	18.6
97.06538	11.8
99.04466	10.4
99.08076	2.4
105.01869	17.1
105.07041	11.4
107.08602	11.5
109.02885	9.4
109.06516	29.8
109.07218	2.5
109.10155	8.4
111.08081	3.1
115.07579	4.0
117.01920	1.6
119.08578	8.4
121.10153	14.6
123.08060	4.4
123.11696	2.9
125.09645	3.3
127.03912	22.1
127.07605	1.5
130.04953	1.3
131.08574	10.1
133.10135	49.1
135.08073	3.9
135.11710	4.1
137.09654	2.1
143.08586	1.5
143.10663	1.8
145.04945	10.7
145.10130	4.0
147.09851	1.1
147.11671	19.0
149.09650	1.6
149.13225	5.8
151.07570	1.3
151.11211	4.0
153.09106	14.1
158.10896	1.5
159.02887	7.0
163.11151	2.7
163.14856	5.5
165.12772	6.0
167.14296	1.1
171.10173	1.8
171.31917	1.1
173.13261	25.9
175.14891	3.5
181.08630	2.3
191.14307	47.9
209.15370	80.4
225.14919	2.4
227.12849	3.0
227.16417	100.0
228.16885	1.8
231.05098	2.7
249.06108	1.7
287.11011	1.2
328.97260	1.3
439.19324	3.4
457.20621	2.4
492.13837	5.3
492.30612	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01871	1.5
55.05509	6.6
57.03429	1.9
59.04999	1.2
61.02906	0.8
67.05497	2.5
69.03430	6.4
69.07056	2.7
69.10223	4.3
70.06606	0.5
71.04983	2.5
73.02913	0.9
76.39069	0.6
79.05478	1.8
80.34209	0.5
81.03419	5.3
81.07053	4.1
83.04974	7.0
83.08614	6.9
85.02905	11.7
85.06518	1.3
87.00821	5.8
91.05495	1.5
93.07038	3.7
95.04966	35.8
95.08590	3.1
97.02875	4.9
97.06526	7.2
97.10158	1.6
98.22643	1.2
99.04459	10.4
99.08101	0.8
105.01870	3.6
105.07028	3.7
107.08597	5.8
109.02890	4.1
109.06507	8.4
109.10144	6.8
111.08063	3.1
113.06039	0.9
117.06997	0.7
119.08578	2.7
121.10146	5.2
123.08087	1.9
123.11721	1.8
125.09633	2.4
127.03917	8.5
131.08568	2.6
133.10129	10.1
135.08047	1.5
137.09526	1.0
139.11203	0.9
143.11928	0.6
145.04953	3.3
145.06464	0.8
145.10103	0.8
147.02808	0.7
147.04268	0.6
147.11673	7.0
149.09592	0.9
149.13248	2.1
151.11185	10.4
153.09099	15.1
153.10266	1.1
159.02887	3.9
163.03772	0.7
163.14778	2.0
165.12718	1.3
167.07057	3.9
167.14330	13.5
168.07359	1.9
173.13289	5.4
179.14308	1.9
181.04982	1.6
182.05293	0.8
191.14313	7.5
209.15364	100.0
210.15668	2.0
227.16415	19.0
231.04968	1.9
289.52002	0.7
457.20142	0.7
463.90506	0.6
492.19791	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	492.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19248	1.3
53.03947	1.4
55.05523	2.7
57.03438	7.2
67.05504	2.5
70.01116	3.0
71.04999	68.2
73.02930	3.6
75.04482	3.5
75.25277	1.7
77.18195	1.7
79.28202	1.4
83.04977	10.8
85.02910	100.0
93.07076	2.4
97.02898	3.6
105.25576	1.6
111.04430	4.2
117.07001	1.7
121.10168	4.5
127.04005	1.8
128.38174	1.5
129.05479	47.8
129.58206	1.4
136.10628	1.3
146.08102	2.0
147.06546	19.5
164.09312	3.9
167.10706	3.4
184.07335	1.9
255.08527	3.4
259.13446	1.9
259.96201	1.6
277.21558	1.7
295.15186	2.2
351.25339	7.3
384.92786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14703	0.4
65.03957	0.4
67.05502	0.4
69.19183	1.5
69.19597	0.9
76.36678	0.3
79.05479	0.9
91.05476	2.8
91.45995	0.4
93.07051	0.5
105.07026	0.9
106.04149	0.5
107.04953	4.6
108.05743	2.8
109.06515	0.7
117.06960	0.4
121.06520	1.9
123.08051	0.5
131.04921	0.7
133.06480	0.9
135.04424	2.2
135.08054	1.4
136.05209	9.9
137.05995	2.2
145.06433	0.5
146.07285	0.8
147.08041	2.6
150.06761	1.7
151.07542	100.0
152.07944	1.1
157.06461	0.6
158.07353	0.5
159.08098	1.1
160.08882	0.7
161.05974	0.5
161.09628	0.8
163.07570	1.5
164.08334	1.1
165.09120	10.6
167.32895	0.4
171.08076	1.1
172.08855	0.7
173.05934	0.7
173.09665	0.4
174.06750	0.5
175.07561	1.0
176.08423	0.9
177.09093	5.9
178.09441	0.4
179.10722	1.2
185.09541	0.4
186.10391	1.7
187.07578	1.2
188.08337	3.0
189.09131	3.7
191.10669	2.9
193.08597	0.7
201.09077	1.3
202.09816	2.1
203.10684	6.2
217.12230	10.9
309.14868	0.6
323.16397	2.3
340.16705	14.3
342.65915	0.4
353.16953	0.4
355.19037	20.9
356.19330	0.5
373.20026	1.1
415.20816	0.5
503.93771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84547	0.9
53.03949	1.0
55.05521	5.7
57.03432	4.7
57.07075	1.3
62.06082	4.0
67.05505	18.3
68.50890	1.1
69.07066	6.8
69.70100	1.9
69.70458	2.0
71.04987	1.3
71.08634	18.0
71.55933	1.0
79.05495	16.6
81.03407	1.9
81.07058	21.7
83.04976	3.5
83.08616	3.3
85.06554	1.2
91.05476	13.1
93.07045	23.7
95.04974	4.0
95.08606	16.3
97.06550	4.3
97.10139	1.0
98.98474	3.6
99.08091	13.6
105.07014	8.2
107.04959	1.7
107.08598	10.4
109.06539	1.3
109.10136	5.2
111.08080	1.1
113.09694	1.0
117.07030	1.9
119.08584	6.7
121.10134	9.6
123.08088	1.2
123.11667	1.1
129.07011	1.7
131.08549	2.2
133.10149	5.7
135.11700	9.5
137.09654	2.1
141.09154	1.4
145.10126	2.8
147.11696	2.5
149.13243	1.9
151.11150	5.9
157.10136	1.2
159.11710	2.3
161.13301	5.4
163.11205	2.5
163.14856	1.2
171.11757	1.2
179.14311	31.3
185.13274	1.4
198.05200	1.0
222.18684	1.2
235.16969	1.6
241.19434	1.7
259.20551	2.2
277.21637	21.7
320.25824	4.1
333.24219	5.1
351.25287	100.0
352.25620	4.7
431.21780	3.4
474.25833	1.6
492.27701	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05818	1.7
53.03945	3.8
55.01872	2.0
55.05520	10.6
57.03436	4.6
57.07071	1.7
62.28958	1.5
67.05162	1.5
67.05507	21.6
69.03443	1.4
69.07071	12.7
69.97266	2.1
69.97567	1.9
71.08606	1.5
74.42558	1.2
79.05492	11.4
81.03419	18.2
81.07051	15.9
83.04987	5.0
83.08622	4.9
85.06557	1.9
85.10220	2.0
89.75837	1.3
91.05469	5.9
93.07061	11.0
95.04969	15.2
95.08608	7.5
97.10176	4.0
99.08076	1.5
105.07039	5.4
107.08590	9.4
109.06493	3.3
109.10159	8.1
117.07088	1.6
119.08580	4.7
121.06549	2.0
121.10143	3.4
123.11706	2.4
125.09649	2.8
129.07068	1.4
133.10127	4.8
135.08093	2.3
135.11707	3.3
138.98122	1.4
147.11670	4.8
149.13286	2.1
151.11198	14.3
153.09108	3.3
160.47214	1.4
161.13271	3.2
163.14899	1.8
165.12790	4.1
175.14795	1.4
176.84525	1.3
196.13350	2.1
202.67879	1.4
207.13724	1.5
231.21141	1.9
277.21661	25.4
320.25812	2.9
351.25299	100.0
352.25726	2.3
426.75037	1.4
492.27084	2.6
493.11206	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	492.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.2
55.05518	17.2
57.03438	31.0
61.74599	1.8
62.06101	5.2
65.03928	2.0
67.05160	3.5
67.05505	57.2
69.07074	17.6
69.43349	8.9
71.04973	4.4
71.15757	1.6
77.03948	2.6
79.05498	56.7
81.07061	69.7
81.29307	2.0
83.04965	2.8
83.08615	7.2
85.06548	6.7
91.05485	39.0
93.07049	67.2
95.04968	5.5
95.08607	49.6
97.06553	3.8
97.10169	3.1
98.98465	9.8
99.08107	5.0
105.04485	3.2
105.07028	34.4
107.08595	35.5
109.06532	3.7
109.10159	15.7
111.08076	4.7
116.21107	2.1
117.07024	10.3
119.08577	26.2
121.10144	25.5
123.11703	3.3
125.09602	2.1
129.07004	2.8
130.07619	2.1
131.08594	13.0
133.10158	20.0
135.11691	21.8
137.09717	2.4
142.02676	4.0
142.50247	1.9
143.08572	4.4
145.10086	13.9
147.11668	15.0
149.13283	6.2
157.10149	2.0
159.11668	11.4
161.13263	8.0
163.11172	3.2
163.14796	3.8
167.73299	1.8
171.11560	2.3
173.13301	6.5
175.14818	3.3
177.12756	3.2
185.13359	4.8
187.14807	6.7
205.15965	2.3
216.06354	4.0
221.19005	2.3
241.19525	7.4
256.19992	1.9
259.20587	19.6
277.21539	11.7
293.21097	17.8
302.24765	4.5
308.06122	2.0
313.08069	1.9
315.23196	3.4
320.25772	5.5
333.24231	76.0
334.24554	2.3
351.25281	100.0
352.25699	3.7
363.36649	2.4
410.16406	5.0
431.21991	2.7
474.26093	4.3
478.58783	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	492.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39035	0.2
55.05510	0.3
56.05033	0.4
58.06617	0.4
60.08163	6.2
67.05507	0.5
71.07380	2.5
71.44860	0.3
79.05487	0.4
81.07050	0.5
86.09706	28.1
91.05513	0.3
91.92223	0.2
93.07059	0.3
95.08597	0.4
96.18925	0.3
98.98473	2.8
104.10755	2.9
107.08630	0.3
109.06503	0.3
125.00005	19.1
184.07343	100.0
185.07710	1.2
201.50760	0.3
402.04498	0.3
404.79480	0.3
474.26303	0.7
492.27145	6.0
493.27866	0.3
517.09088	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78345	0.8
52.10173	0.9
55.05508	3.9
57.03441	20.4
57.07064	1.2
58.50891	0.8
62.06099	1.6
65.03920	0.9
67.05506	31.5
69.07076	5.4
71.45901	0.8
75.04479	8.2
79.05489	10.0
81.07062	27.2
83.08609	2.4
90.80071	0.9
91.05459	4.9
93.07053	9.7
95.04954	1.7
95.08609	22.1
97.10168	1.2
98.98482	6.6
101.54559	0.8
103.03941	4.9
105.07041	3.6
107.08612	4.0
109.10160	10.4
119.08599	1.9
121.10150	3.2
123.11707	3.5
133.10138	2.8
135.11688	2.9
147.11687	2.0
149.02283	1.5
149.13179	1.1
151.02820	1.3
155.01094	1.6
159.11746	1.4
161.13255	1.5
163.14906	0.9
173.02139	2.0
173.13089	0.8
175.14830	1.3
175.56230	0.9
193.04875	2.1
198.05246	1.0
216.06354	2.7
241.19383	0.8
242.52563	0.8
249.22176	1.8
259.20621	1.5
328.18723	1.0
351.25302	100.0
352.25623	4.1
387.09811	1.9
475.15024	3.4
492.26764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	1.2
55.05510	15.4
57.03181	1.0
57.03442	10.6
57.07068	1.1
58.06334	1.7
58.06598	19.6
59.44916	0.9
63.02318	0.8
65.03938	1.0
67.05508	34.5
69.06718	0.9
69.07077	13.2
69.16631	6.1
76.07637	0.9
77.36305	0.9
77.55771	0.9
79.05492	13.5
81.07059	33.6
83.08626	7.0
85.06554	1.1
91.05496	7.7
93.07047	14.7
95.04966	1.5
95.08023	1.4
95.08614	25.8
97.06531	2.3
97.10163	3.3
98.23533	1.8
98.63579	1.0
98.98468	1.7
105.07040	5.6
107.08584	8.0
109.10168	10.9
111.08100	1.0
119.08587	5.2
121.10162	5.8
123.11704	4.1
124.93763	1.7
131.08591	2.2
133.10114	4.5
135.11678	3.7
137.13261	1.4
140.99487	6.2
145.10155	1.3
147.11705	2.1
149.13303	1.7
151.14874	1.1
156.04195	3.8
156.96422	2.5
159.11699	1.3
161.13246	2.8
163.14841	1.1
171.55367	1.0
173.13216	1.3
175.14819	1.1
197.02101	2.9
243.21129	1.3
256.26379	1.3
261.22092	2.8
274.07690	0.9
335.25812	52.0
336.26282	2.9
337.27374	100.0
338.27759	2.2
380.73355	0.9
492.21848	4.5
492.33127	2.7
493.16965	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	492.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10583	0.7
55.05516	1.0
55.40932	0.7
60.08170	7.4
67.05499	1.9
69.40520	2.9
71.07372	2.8
71.08631	2.0
79.05508	1.7
81.07060	3.1
86.09713	31.1
87.73910	0.6
91.05503	1.2
93.07018	1.3
95.08607	1.5
98.98463	2.2
99.08070	1.8
104.10747	11.6
107.08589	1.2
108.78572	0.6
109.06527	0.8
119.08446	0.7
125.00010	19.6
151.11261	0.8
184.07349	100.0
186.82990	0.8
277.21649	1.5
351.25256	7.4
395.73654	0.6
474.26422	1.1
492.27255	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	492.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.6
55.01881	5.8
55.05514	9.3
61.02930	2.7
67.05506	22.3
69.03437	16.8
69.07075	8.2
70.37641	4.7
71.05004	12.9
79.05511	8.8
81.03432	12.6
81.07069	28.3
83.08624	9.4
85.02905	37.4
85.06543	26.3
87.00855	15.7
91.05450	3.3
93.07045	15.2
95.08611	46.8
97.02908	14.9
97.06557	4.8
97.10174	8.7
98.22806	3.0
99.04430	4.2
99.08105	17.1
105.01865	16.8
105.06999	2.5
107.08591	12.4
109.02884	16.0
109.10166	40.6
111.08102	2.3
113.09673	4.0
115.11188	2.1
117.01853	2.6
119.08570	2.8
121.10152	14.5
121.54971	2.0
123.11726	9.0
127.03934	22.6
127.11224	6.1
135.11699	21.2
137.06140	2.0
145.04991	7.8
145.10167	2.4
149.13283	11.2
159.02913	4.7
163.03981	5.2
163.14891	5.6
165.09157	6.5
165.16409	5.9
183.17445	5.0
184.07382	5.1
191.17934	24.8
209.18973	16.2
227.17802	5.0
227.20064	100.0
231.05121	2.7
263.52243	2.2
317.21198	2.8
383.89325	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	492.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	1.5
56.05042	2.2
57.03440	0.8
58.06601	100.0
59.06943	0.5
67.05508	5.7
69.07075	2.4
69.43587	1.5
76.07642	5.6
79.05503	1.0
80.31367	0.3
81.07058	4.7
83.08627	1.3
91.05478	0.6
93.07033	1.4
95.08605	3.3
97.10201	0.5
98.23383	0.6
105.07099	0.4
106.07369	0.3
107.08627	1.1
109.10174	1.5
111.08082	0.4
121.10159	0.7
121.36086	0.3
123.11760	0.4
133.10197	0.8
135.11653	0.5
156.04256	1.0
161.13321	0.5
198.87947	0.3
230.07948	0.9
235.49820	0.3
309.96991	0.4
319.26419	0.4
335.26093	0.7
337.27380	24.0
338.27768	0.7
349.03070	0.3
474.29926	2.1
492.30652	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	492.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13407	0.2
53.03949	0.7
55.01863	0.5
55.05512	11.1
56.05031	0.5
57.03437	6.8
57.07078	1.7
57.54452	0.2
58.06600	22.4
62.38252	0.2
65.03934	1.0
66.46275	0.2
67.05505	23.8
68.15550	0.2
69.07067	15.0
71.04986	0.6
71.08623	0.5
79.05494	6.5
81.07057	24.6
83.04973	0.9
83.08618	6.6
85.06519	0.4
85.10188	0.2
89.86572	0.2
91.05477	4.2
93.07040	6.5
95.04963	0.5
95.08606	20.1
97.06528	1.6
97.10168	3.2
99.08092	0.5
102.09126	0.3
105.07028	3.2
107.08595	3.9
109.10155	6.9
111.08066	1.0
111.11724	0.7
119.08580	3.3
121.10147	2.8
123.08089	0.5
123.11709	3.2
125.09645	0.4
133.10115	2.5
135.11697	1.5
137.09569	0.3
137.13248	1.1
147.11676	1.8
149.13249	0.9
151.14740	0.6
153.12770	0.4
156.04196	4.8
161.13243	0.7
163.14819	0.4
171.18779	0.2
175.14828	0.7
181.97241	0.3
198.25793	0.3
219.06598	0.4
228.97421	0.3
230.07945	0.5
245.22511	0.2
256.26208	0.3
263.23743	0.7
320.29443	0.4
337.27353	100.0
338.27664	3.7
432.73932	0.3
492.32620	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.6
56.17133	0.6
60.08157	5.6
67.05502	0.9
71.07365	2.5
72.07999	0.5
75.21248	0.5
78.45042	0.5
79.05494	0.8
81.07045	1.2
84.26891	0.6
86.09709	28.0
89.65038	0.5
91.05449	0.6
93.07043	0.6
94.31800	0.5
95.08611	0.7
98.10155	0.5
98.98458	3.0
104.10766	3.3
122.33257	0.5
125.00003	21.1
184.07343	100.0
185.07733	1.0
219.83701	0.5
229.56345	0.6
333.66025	0.5
414.27066	0.6
423.73935	0.6
442.16064	0.6
471.03271	0.6
474.29947	0.6
492.30884	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2813
Annotation	Mucronine B
Peak:m/z	Relative Intensity
55.05521	3.4
66.31216	0.3
68.23039	0.3
72.08157	46.7
78.29871	0.3
86.09724	0.4
91.05444	0.4
93.06997	0.5
100.07677	0.4
103.05470	2.7
104.10751	0.6
104.74718	0.4
110.31526	0.4
120.08107	100.0
121.08457	1.2
142.93741	0.5
171.14935	6.9
174.12790	2.7
184.07338	0.5
199.14426	6.6
219.14931	17.5
222.12706	0.7
243.80515	0.4
247.14424	20.2
248.14816	0.5
267.14938	8.8
273.19647	0.8
295.11227	0.7
295.14426	11.7
296.14868	0.7
301.19070	3.9
321.19720	0.9
346.21277	7.9
349.18973	1.9
394.21249	6.6
448.26004	0.7
465.28555	1.1
493.09933	0.4
493.30994	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40112	1.1
55.05520	1.4
55.79940	1.0
56.05035	2.6
67.05504	3.1
70.58398	2.3
75.40454	1.0
76.43023	0.9
79.05490	3.8
81.07054	4.1
83.04967	1.4
84.08147	67.2
85.08485	1.3
88.88334	0.9
90.92828	0.9
91.05492	3.9
93.07056	8.1
95.04971	7.7
95.08602	3.0
99.04459	1.4
105.07054	8.6
107.08593	4.2
109.06489	2.7
109.10141	2.2
117.07042	1.8
119.02219	1.1
119.04939	3.0
119.08601	6.9
121.06529	1.9
121.10175	1.7
123.04423	2.3
129.06947	2.3
130.07756	2.2
130.08646	22.1
130.09554	2.0
131.08586	4.1
133.10126	2.3
135.08012	2.7
137.05936	1.3
142.07857	1.5
143.08556	3.6
145.10112	7.2
147.08075	1.6
147.11290	12.8
155.08554	1.2
157.10138	7.1
159.08076	1.8
159.11703	3.9
162.09116	1.9
163.03920	1.8
163.09911	1.3
165.09273	1.2
169.10115	1.8
171.11777	1.9
173.09579	2.4
181.08583	3.6
181.10080	1.9
185.09654	2.6
185.13249	3.7
187.11183	4.0
195.11678	2.5
203.10742	2.5
203.14349	2.1
209.13289	3.0
213.12712	2.4
231.13826	3.9
237.12761	1.9
237.16350	2.9
255.13791	1.6
255.17436	2.6
265.15820	1.4
267.52667	1.2
283.14023	1.5
283.16898	8.2
301.18036	2.9
301.50711	1.1
310.18262	1.9
311.16339	2.4
313.63150	1.1
328.19073	13.9
329.17502	3.1
347.18597	1.7
389.12360	1.1
393.25262	3.2
411.26471	14.7
412.25034	1.4
429.27481	1.6
439.25781	1.9
457.27011	100.0
458.27307	3.8
475.21365	2.1
475.28085	36.6
476.28116	1.9
481.95480	1.2
493.29108	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01605	0.3
67.05489	0.2
68.02400	0.2
72.69086	0.2
81.07066	0.2
83.01100	1.6
86.09715	0.2
95.08594	0.3
96.48190	0.2
104.10748	0.9
105.07079	0.3
108.28584	0.2
111.04205	1.2
112.04977	0.7
127.03677	1.1
141.05208	0.2
142.06018	0.6
144.58176	0.2
154.94173	0.4
155.06796	2.1
171.06267	1.7
172.95241	0.3
199.09441	0.4
200.10110	0.3
215.08961	0.4
227.12448	0.2
243.12096	0.9
243.14146	0.2
259.11530	0.5
287.14749	0.2
313.03101	0.2
344.03851	0.2
381.18802	1.2
381.38754	0.2
421.21906	0.6
450.20493	0.5
493.31329	100.0
494.31616	4.4
506.44193	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	494.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37981	4.9
58.33186	5.1
61.02896	3.5
69.03417	9.3
69.42413	20.2
69.42742	5.6
73.02907	12.3
83.15288	4.4
85.02876	6.6
95.04983	44.9
97.02885	10.7
98.42372	4.9
115.03939	15.4
123.04433	5.3
133.04976	8.8
137.05984	43.9
138.23831	5.2
151.03918	100.0
184.59399	4.8
318.58054	5.2
509.81876	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	494.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.2
57.03442	8.1
57.65024	0.9
61.02913	1.5
65.03917	1.3
68.32588	1.0
69.03443	1.6
70.06574	1.0
71.04996	67.2
71.35333	1.2
73.02908	3.1
75.04499	4.9
81.03428	1.0
83.04978	11.1
84.08171	0.9
85.02909	100.0
87.04457	1.8
89.14293	0.9
97.02898	2.8
111.04453	8.3
125.06035	3.4
126.70284	1.0
127.03954	2.8
129.05482	49.3
136.01324	1.1
145.04948	2.3
147.06528	22.2
151.03908	5.8
151.35770	1.1
164.09142	1.5
169.05002	11.7
219.06540	1.3
249.59044	1.0
255.08569	1.8
261.07608	1.8
269.20804	1.1
273.09818	1.3
297.09824	1.4
380.42810	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
53.51273	0.7
54.53027	0.6
55.05500	2.8
57.03437	10.2
57.83199	0.6
61.02907	0.9
65.03949	1.1
69.03429	1.7
70.73016	1.4
71.01348	0.7
71.04993	70.4
73.02914	2.4
75.04482	4.1
83.04982	13.8
85.02903	100.0
87.04478	1.7
93.03398	2.1
97.02889	4.4
97.15852	0.7
99.04443	1.3
103.03955	0.7
107.11082	0.8
109.02840	0.8
111.04430	8.5
125.05994	2.5
127.03897	4.1
128.38994	0.8
129.05478	50.1
145.04948	2.7
147.06519	23.8
151.03906	6.3
160.08629	0.7
164.09235	1.4
169.04959	11.7
196.74799	0.6
219.06569	1.4
255.08755	1.9
261.07761	1.4
279.08643	1.0
297.09668	1.7
309.11996	0.7
452.98849	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20947	0.5
52.66245	0.5
53.03937	0.8
55.01874	0.6
55.05516	1.6
57.03436	10.6
59.05003	0.8
61.02924	1.6
65.03935	0.5
69.03430	12.2
69.45613	0.8
69.46014	2.1
70.06586	0.7
71.01366	0.8
71.04993	72.6
73.02911	2.4
75.04482	4.2
81.03432	1.0
82.77466	0.5
83.04987	7.7
85.02905	100.0
87.04463	2.1
89.03937	0.5
91.05482	5.3
91.89864	0.5
95.04961	1.6
97.02887	3.8
98.22604	0.8
99.04459	1.2
101.06039	0.9
103.03961	1.0
103.05439	0.6
105.07040	1.1
109.02916	0.8
110.06019	0.9
111.04448	4.9
117.41294	0.5
119.04953	5.0
121.06518	4.7
127.03931	4.1
129.05476	40.9
131.04897	0.8
133.06448	0.6
135.04391	1.3
137.05972	2.0
138.09154	0.8
145.04968	3.2
146.08069	1.7
147.04559	1.0
147.06519	22.3
149.05965	0.7
150.06775	0.5
151.07547	30.1
157.06522	0.6
161.05957	2.3
162.06744	1.3
163.03891	2.1
163.06068	0.8
163.07509	1.8
164.04219	1.5
164.09201	8.8
165.04410	0.5
165.09074	3.5
169.08617	5.7
171.23914	0.4
175.07504	1.3
177.05457	0.8
180.08665	0.6
181.08621	2.4
182.08365	0.5
189.09087	0.6
193.08603	7.0
205.08574	1.6
211.09579	0.7
217.08543	1.4
221.08092	0.7
231.96663	0.5
235.09683	3.6
248.94145	0.5
255.08644	2.7
259.09515	0.7
261.11218	9.6
273.09671	2.6
277.10614	2.2
279.12244	3.9
295.11652	1.9
309.11700	1.8
313.77213	0.6
315.11966	1.4
332.15173	2.4
345.49265	0.5
399.90326	0.6
494.25003	0.6
495.17474	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01871	1.0
55.05511	1.3
56.05033	0.3
57.03434	0.7
57.07067	0.5
60.04530	2.3
61.02921	0.4
67.05506	1.6
69.03431	2.3
69.07070	3.1
69.44861	1.0
70.72983	0.2
71.04993	13.0
73.02915	0.6
79.05493	0.9
81.03415	2.0
81.07058	2.7
83.04983	0.3
83.08627	0.6
85.02906	5.5
85.06559	1.5
87.00827	2.6
87.08115	0.3
91.05480	1.1
93.07050	3.2
95.04976	0.3
95.08607	5.8
97.02891	1.9
97.06535	1.9
97.10184	0.6
97.77795	0.2
98.23434	0.5
99.04457	42.0
99.08094	0.6
100.04781	0.3
101.05992	0.2
105.01878	1.4
105.07011	1.0
107.08598	4.4
107.09272	0.1
109.02864	1.5
109.06517	0.3
109.10158	3.2
110.09119	0.2
111.08056	0.3
111.11723	0.6
113.09640	4.4
115.07580	2.3
117.05447	0.2
117.06995	0.2
119.04970	0.9
119.08594	3.1
121.06499	0.3
121.10129	1.6
123.08095	1.4
123.11700	2.7
125.09647	1.9
127.03905	2.6
129.01895	0.2
129.12766	0.4
131.08601	0.3
133.10127	3.4
135.08028	0.7
135.11696	15.2
137.06088	0.3
137.09641	0.7
139.11172	1.4
141.09103	0.6
141.12759	2.4
143.10674	0.5
145.04945	0.8
147.03287	0.4
147.04408	3.8
147.11685	0.3
149.13312	1.2
151.14828	2.5
153.12750	1.1
159.02866	0.7
165.16443	0.2
166.16536	0.2
167.14374	0.3
169.15901	0.8
175.14827	5.3
193.15891	4.7
211.16931	100.0
212.17265	2.6
231.05026	0.4
289.12589	0.3
296.25781	0.3
314.26895	0.5
332.27982	2.9
494.27322	0.4
494.33414	1.9
495.16721	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	2.7
53.56835	2.1
55.05510	8.5
55.82857	2.8
61.02941	2.4
67.05497	6.6
69.03420	10.3
69.07066	5.1
70.03632	6.3
71.04990	4.2
81.03403	9.6
81.07045	8.4
83.08599	4.8
85.02923	21.3
85.06543	8.5
86.09707	2.3
87.00819	9.3
89.56109	2.4
91.05520	2.7
92.06441	2.2
92.49804	2.4
93.07037	13.5
95.04959	9.1
95.08611	19.4
97.02885	6.8
97.06519	3.6
99.04445	7.0
99.08099	67.8
105.01870	5.8
105.07024	4.5
107.08587	13.2
109.02878	10.5
109.10162	26.6
113.09622	2.7
119.04989	2.8
119.08608	5.7
121.10160	7.1
123.11710	5.1
125.09618	2.9
127.03922	15.0
133.10126	10.1
135.11682	20.5
137.09633	10.1
142.63838	2.4
145.04944	4.8
147.04376	11.8
149.13312	2.6
151.14870	3.7
153.12801	6.2
155.10713	11.9
159.02875	6.1
168.35866	2.4
175.14830	9.4
184.07376	3.6
193.15886	36.6
210.22118	2.8
211.14915	5.3
211.16940	100.0
231.04829	2.7
270.65338	2.6
312.00870	2.4
459.22327	36.3
494.29099	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65553	5.1
53.03944	18.4
55.01866	8.7
55.05504	16.3
57.03438	6.7
57.07084	5.3
58.94444	5.0
67.05512	22.0
69.03426	31.6
69.07081	44.4
71.04992	20.5
72.01101	4.9
79.05484	5.9
81.03416	28.2
81.07057	50.6
83.08620	7.1
85.02906	68.0
85.06531	8.1
87.00826	40.3
91.05458	11.0
91.13321	5.1
93.07057	13.3
95.08609	92.3
97.02888	55.2
97.10182	10.4
99.04445	10.8
105.01877	45.8
105.07037	13.9
107.08611	11.2
108.04524	5.4
109.02878	70.7
109.10193	27.9
111.11733	8.7
113.06035	7.7
119.08592	13.4
121.10178	5.9
123.11618	5.5
127.03922	80.1
127.62256	5.2
129.01927	5.8
129.59828	6.2
133.10098	14.8
135.11722	11.6
137.09695	8.7
138.76474	5.4
145.04970	21.9
147.11734	11.0
147.35144	6.1
149.13275	14.7
151.14812	100.0
156.21960	5.8
159.02905	15.5
164.07098	6.1
167.07057	7.7
175.14830	51.6
177.07930	8.6
178.41452	6.5
193.15891	76.2
211.05806	18.5
211.16922	40.5
213.03984	11.8
231.04953	35.8
248.16475	18.7
257.93201	6.0
308.11496	6.2
477.28555	13.3
494.29572	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	494.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.9
55.01879	2.7
55.05516	17.2
57.03432	13.0
57.07075	5.3
58.51956	1.6
62.06102	4.4
65.03961	2.8
66.34641	1.7
67.05511	58.5
69.07075	14.9
69.47092	4.0
69.47480	3.4
71.08641	24.6
71.33140	1.7
79.05496	27.3
81.07065	64.1
83.04984	3.5
83.08620	11.8
85.10201	2.7
91.05495	18.3
93.07049	29.3
95.04993	5.4
95.08617	44.0
95.57795	1.6
97.06551	5.1
97.10166	3.2
98.22710	1.7
98.98476	4.9
99.08101	22.9
105.07041	14.6
107.08607	13.7
109.06519	2.5
109.10166	14.0
111.08089	3.4
113.09641	4.5
117.07028	4.2
119.08575	8.2
121.10122	10.2
123.11703	5.8
125.09568	2.3
131.08575	6.4
133.10156	6.1
135.11729	7.4
137.13277	5.7
138.58630	1.5
142.02682	5.0
145.10103	5.3
147.11726	13.3
149.13269	8.0
151.14847	2.0
153.12744	2.0
159.11751	2.4
161.13272	3.4
163.11238	2.2
163.14822	6.9
164.92094	2.8
165.12753	5.2
173.02121	1.9
173.13213	4.0
187.14827	2.8
203.18047	2.0
233.22720	1.9
243.21115	7.1
247.80330	1.6
253.18027	9.0
261.22076	12.6
279.23196	20.6
304.26443	2.7
317.24670	2.0
322.27530	4.8
333.20374	1.7
335.25824	73.8
336.26315	3.3
339.65262	1.7
353.26868	100.0
354.27344	4.1
409.25696	6.4
433.23718	2.8
435.28622	2.3
476.27832	2.2
494.28323	1.8
495.12967	9.4
498.11475	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	494.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.9
55.30036	2.1
57.03439	9.8
57.07068	3.2
62.06089	4.1
65.03915	3.4
65.96011	1.7
67.05505	49.8
69.07057	10.6
70.15681	4.3
71.05018	1.8
71.08638	18.5
79.05492	20.1
81.06570	3.0
81.07056	57.0
83.04990	3.7
83.08645	8.8
85.10181	2.9
91.05492	15.5
93.07042	22.4
95.04996	3.3
95.08603	43.2
97.06499	2.0
97.10165	2.2
98.23454	2.0
98.98477	5.6
99.08089	12.9
105.07024	10.6
107.08604	11.5
109.10156	8.7
117.07031	2.7
119.08566	8.4
121.10123	9.5
123.11736	5.0
124.93797	2.3
131.08556	5.9
133.10141	5.9
135.11667	8.5
137.13300	4.6
145.10132	4.4
147.11717	8.2
149.13266	4.3
151.11176	2.1
159.11771	3.3
161.13191	4.9
163.14911	4.4
165.12822	3.3
173.13275	3.2
181.15944	3.3
205.96564	2.0
210.45811	1.8
211.60254	2.0
216.06244	2.4
221.13043	1.9
243.21167	4.3
245.44006	2.0
253.18011	15.1
258.51343	1.9
261.22186	10.3
279.23199	16.2
322.27417	3.7
335.25797	58.0
353.26843	100.0
354.27280	4.3
358.26260	1.8
409.25400	3.5
433.23334	3.3
476.27808	3.9
494.28641	3.6
495.20773	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	494.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.6
54.97987	2.1
55.05515	18.0
57.03450	4.5
57.07065	4.9
62.06084	9.0
66.66841	1.7
67.05167	2.7
67.05506	41.7
68.09545	1.9
69.07071	20.7
69.20213	10.7
71.05006	2.3
71.08617	6.7
79.05504	14.3
81.07064	41.3
83.04961	2.5
83.08608	8.3
85.06503	2.9
91.05477	8.5
93.07039	21.4
95.08611	23.6
97.06551	3.2
97.10165	5.7
98.98458	8.5
99.08102	5.9
105.07027	8.2
107.08587	13.8
109.10156	17.3
113.09595	2.2
117.07070	2.3
119.08595	7.3
121.10117	4.5
123.11716	3.8
125.09576	3.2
131.08549	4.7
133.10112	4.5
134.59346	2.0
135.11682	7.5
141.12650	2.1
142.02687	3.6
145.10155	4.3
145.37456	1.8
147.11722	3.9
149.02284	2.5
149.13272	3.9
152.86249	1.9
153.17418	2.3
155.01070	3.6
169.12344	2.3
173.13306	2.7
175.14822	2.1
175.79285	2.1
189.11206	2.5
193.04985	7.2
213.14896	2.4
216.06224	2.8
229.14346	3.2
261.22217	11.3
279.23233	14.3
304.26483	2.0
322.27344	5.6
335.25827	27.3
353.26855	100.0
354.27081	4.3
409.25568	6.8
415.22232	3.3
433.23483	5.3
476.27637	5.2
494.30200	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	494.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
53.54893	1.0
55.01864	1.1
55.05514	18.8
57.03440	8.4
57.07066	3.3
62.06088	4.3
67.05506	49.9
69.07069	24.2
71.04990	2.1
71.08635	3.4
73.48470	1.0
74.87997	1.0
79.05503	18.6
81.07059	44.8
83.04980	3.9
83.08622	10.1
85.06535	1.3
91.05487	7.6
93.07043	19.9
95.04984	1.6
95.08609	28.9
95.09217	1.6
95.57005	1.0
97.06525	3.7
97.10172	6.5
98.98453	5.6
99.08090	2.9
105.07040	5.1
107.08593	11.7
109.06571	1.3
109.10162	23.8
111.08053	1.8
117.07056	2.2
119.08585	4.9
121.10162	8.7
123.11697	5.4
124.93682	1.6
125.09600	5.0
131.08577	4.1
133.10147	2.7
135.08049	1.7
135.11708	6.5
137.13280	3.2
142.02640	1.7
145.10146	2.9
147.11679	2.8
149.09598	1.4
149.13306	3.4
151.11162	1.2
151.14798	1.5
153.12729	1.2
159.11717	1.2
161.13321	1.8
163.11220	1.9
163.14871	3.7
173.02052	1.2
173.11768	4.3
173.13300	2.8
175.14816	1.1
177.27422	1.0
187.14879	1.7
189.11241	4.0
198.05312	1.5
213.14850	5.4
216.06305	2.8
229.14360	6.2
233.22498	1.0
243.21056	5.6
253.18022	2.1
261.22183	7.9
279.23175	13.4
304.26334	2.5
322.27393	3.5
335.25800	34.3
353.26877	100.0
354.27286	3.2
399.17328	1.3
409.25470	2.2
415.22815	1.7
433.23535	4.3
476.27618	3.5
494.19766	1.6
494.28784	3.1
495.12433	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	8.1
57.03443	17.0
57.07057	2.2
67.05505	15.9
69.07072	12.7
70.08395	1.7
70.08719	1.9
71.04996	1.5
71.78900	1.1
75.04474	7.8
79.05501	6.2
81.07062	16.9
83.08620	7.1
86.09717	1.7
91.05460	2.4
93.07056	8.0
95.04987	1.8
95.08611	14.5
97.06553	1.5
97.10160	2.4
98.98481	6.0
103.03941	4.3
104.10755	1.2
105.07010	1.8
107.08603	3.3
109.10172	4.6
119.08591	2.2
120.08159	1.1
121.10144	3.4
123.11736	1.4
131.08472	1.1
135.11737	3.3
149.13246	1.2
155.01035	2.5
166.62364	1.0
173.02173	2.8
174.38409	1.0
216.06279	2.6
261.22247	1.3
261.33807	1.2
284.14618	1.3
313.11954	1.2
353.26877	100.0
354.27280	3.8
405.52820	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74222	0.2
55.05500	0.5
56.05023	0.6
58.06599	0.4
60.07870	0.3
60.08163	6.1
63.24341	0.2
63.35342	0.2
67.03122	0.2
67.05508	0.6
69.07054	0.7
70.06577	0.4
70.20957	0.6
70.21311	0.2
71.07371	2.7
78.57473	0.2
79.05494	0.3
81.07043	0.8
83.08632	0.3
83.73472	0.2
86.09705	28.2
86.78433	0.2
93.07083	0.3
95.08574	0.4
95.62908	0.2
98.98460	2.6
104.10740	3.2
110.72541	0.2
121.10107	0.3
125.00003	18.4
131.08945	0.2
149.02388	0.6
180.43967	0.3
184.07336	100.0
185.07652	0.9
192.83839	0.2
193.04932	0.8
237.07547	0.7
249.68492	0.3
284.29379	0.5
290.20724	0.2
360.50040	0.3
391.28070	0.3
453.29941	0.3
476.31741	1.2
494.32693	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	494.3239
Annotation	Vinylamycin
Peak:m/z	Relative Intensity
55.05514	2.9
56.05029	1.1
57.03422	0.6
57.07074	0.7
58.06602	1.5
60.07867	0.9
60.08162	16.2
67.05502	1.5
68.03278	0.5
69.07064	1.8
70.06590	0.5
71.03215	0.4
71.07365	6.9
79.05483	1.5
81.07040	2.6
83.08614	1.9
86.09705	47.8
93.07055	1.3
95.08598	1.3
97.06499	0.8
97.10180	1.0
98.23484	1.5
98.98466	3.4
104.10739	93.7
107.08626	0.6
109.10155	0.8
111.08092	0.6
118.42207	0.5
121.10152	1.2
123.11735	0.5
124.99999	27.2
135.11694	1.0
135.89522	0.6
144.99176	0.5
149.02299	0.8
163.01448	0.6
184.07338	100.0
185.07729	0.8
193.05070	1.0
205.19508	0.7
223.20618	1.0
237.07646	1.1
258.10968	1.0
259.37585	0.5
284.29459	1.0
307.84369	0.5
311.25809	1.3
335.26141	0.5
431.17371	0.5
476.24765	0.6
476.31363	9.4
494.32382	33.9
495.32257	1.4
511.52438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.05022	0.5
57.03430	0.2
58.06624	0.6
59.07420	0.1
60.08162	6.4
62.89713	0.1
67.05489	0.3
69.07060	0.5
69.96931	0.4
70.06593	0.2
71.03761	0.1
71.07367	2.9
79.05477	0.2
81.07059	0.3
83.08614	0.3
86.09701	29.4
87.10032	0.3
89.14656	0.1
93.07030	0.4
95.08588	0.2
96.82500	0.1
97.10184	0.2
98.98450	2.7
104.10734	2.5
107.08564	0.2
119.08598	0.1
124.99995	20.8
141.63884	0.1
143.01109	0.2
149.02283	0.3
173.17586	0.1
184.07329	100.0
185.07719	0.8
193.04948	0.3
237.07506	0.4
258.11011	0.3
284.29425	0.3
311.25742	0.3
419.50870	0.1
476.31284	1.2
494.19464	0.1
494.32407	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	494.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97851	1.4
57.03439	7.2
57.07071	1.5
58.06601	27.8
59.07384	8.8
60.08160	8.3
67.05499	4.3
69.85812	1.7
69.86137	3.0
70.06590	8.3
73.02929	1.7
75.04481	3.7
77.75811	1.3
79.05495	4.0
85.02896	1.9
87.04469	4.2
88.07628	7.6
91.05493	4.3
93.07058	2.9
98.23357	1.6
102.09161	3.8
105.07064	2.1
119.08604	2.3
144.10226	7.7
149.02345	16.9
149.03458	2.3
162.11238	3.3
173.17612	1.4
184.07373	2.3
193.04938	15.6
221.96977	1.3
235.85347	1.8
236.14923	92.0
237.07518	15.5
281.19592	1.5
284.29489	11.0
420.29330	1.5
433.42908	1.4
476.33755	20.2
494.34778	100.0
495.35114	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	495.1267
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.28940	1.2
69.31417	6.3
78.07397	1.2
81.12221	1.2
98.23502	1.4
118.98739	1.2
136.77141	1.2
146.50629	1.4
495.12646	100.0
496.12692	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	495.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37250	0.4
53.75740	0.4
55.05525	0.4
56.59981	0.5
56.96558	1.0
62.05115	0.4
67.05502	0.6
69.70102	1.1
69.70482	0.9
74.37643	0.5
79.05492	0.5
81.07062	0.9
85.02895	0.7
93.07020	0.6
95.08632	0.5
96.17233	0.5
97.02854	0.4
98.97590	2.0
99.08073	0.5
109.10175	0.7
115.54066	0.4
116.98658	0.7
127.03925	0.5
128.98613	0.5
133.10132	0.5
138.05112	0.4
160.54604	0.4
165.09180	0.5
177.05396	0.5
219.01733	0.7
247.09439	1.1
247.13036	0.5
265.11118	2.0
283.12161	1.2
289.11002	1.9
307.12085	1.4
409.14816	3.8
427.16730	1.0
451.17108	10.0
495.16281	100.0
496.16687	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	495.1639
Annotation	3'-Hydroxy rocagloic acid
Peak:m/z	Relative Intensity
56.96567	6.0
57.21019	0.4
65.52156	0.4
70.07287	0.9
77.13371	0.4
77.51333	0.4
79.05450	0.4
81.07043	0.5
84.96018	1.3
98.97581	9.7
100.00484	0.4
103.89456	0.4
112.99137	1.3
115.00704	2.8
116.98620	3.2
119.08566	0.4
128.98596	0.5
131.00145	0.8
133.01724	1.7
134.36697	0.5
134.99707	0.9
158.99695	1.4
167.07039	0.7
173.01253	0.9
177.00734	1.2
187.04144	0.7
205.05415	1.1
207.06932	0.7
219.03374	0.8
231.06973	0.8
247.10017	4.8
249.08011	0.5
265.11130	4.7
289.11099	18.8
303.12762	1.9
307.12253	3.6
331.12161	6.5
349.13254	1.7
361.12820	1.1
383.14874	1.1
409.15561	2.3
451.17184	12.2
476.68616	0.6
495.16275	100.0
496.16702	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	495.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05529	4.3
56.96574	21.4
63.61999	3.0
67.05492	5.2
69.42858	10.2
84.96037	5.0
85.06542	13.5
86.81207	2.9
93.07049	5.9
97.06570	3.9
97.93208	3.0
98.97582	88.9
100.11265	5.2
105.07025	5.6
107.08635	7.8
109.10133	3.6
110.97548	3.5
111.52277	3.5
112.99155	9.5
114.04774	3.7
115.00687	4.8
116.98615	34.3
119.08556	3.9
131.00198	10.8
133.10127	3.4
134.99675	11.6
135.08040	4.3
149.01248	5.9
158.99666	21.6
164.36632	3.2
173.01250	12.2
177.00729	17.9
184.97601	3.5
191.02324	16.6
191.14328	5.0
201.00630	7.0
202.98706	3.7
219.01750	13.8
237.02684	4.1
241.26506	3.0
244.99629	18.8
247.10081	6.6
260.77417	3.8
263.00766	5.2
265.11105	7.0
289.11127	32.1
305.02832	4.0
307.12167	25.4
331.12347	6.2
349.13235	9.0
375.11194	7.1
409.15448	8.0
427.16458	7.7
451.16754	4.8
495.16129	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.184
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
51.18172	0.3
56.68415	0.3
57.13562	0.3
61.78642	0.3
65.97890	0.3
69.35192	1.6
73.02902	0.3
82.93842	0.3
85.02920	0.4
91.05455	0.4
93.07049	0.6
97.02925	0.4
98.23570	0.5
107.08598	0.4
124.08137	0.4
133.10184	0.4
143.03307	0.3
147.04428	0.3
151.07549	0.7
151.11136	0.5
163.03917	0.7
227.05354	1.1
229.12086	0.6
245.06291	0.7
247.13062	1.0
271.04205	2.2
289.05322	4.6
299.14902	1.3
312.64529	0.4
391.17343	0.5
409.18420	4.6
419.06363	0.4
433.18420	0.4
451.13080	0.6
451.19415	13.3
452.19919	0.7
495.18378	100.0
496.18781	5.0
496.25558	0.6
497.07767	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2462
Annotation	Ustiloxin D
Peak:m/z	Relative Intensity
57.07056	0.7
62.98253	4.9
64.04356	0.5
82.37248	0.6
89.06033	1.7
91.05484	0.6
98.23461	1.2
124.93773	30.7
133.08627	0.9
142.94916	0.6
156.96387	40.1
198.97426	0.7
212.98970	3.9
267.93951	0.6
283.17468	1.1
292.90625	0.6
327.22363	0.8
346.37521	0.6
441.05609	0.7
463.22073	6.6
495.24606	100.0
496.25015	4.1
515.63751	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.2
57.30386	2.6
62.49855	2.4
67.05165	4.4
67.05504	57.9
69.03432	2.9
69.07069	20.0
69.57484	5.2
69.57869	7.5
71.05000	6.6
71.08269	2.7
77.24680	2.8
79.05500	14.2
81.07055	72.1
83.08622	8.1
85.02900	4.8
89.62322	3.0
91.05481	9.5
93.07027	18.0
95.08604	70.9
97.06535	6.7
97.10179	9.5
99.08103	4.3
100.11231	3.9
105.07038	9.6
107.08593	9.8
109.10165	39.6
109.10909	4.5
111.08109	4.2
115.90186	2.9
119.08562	9.0
121.10140	18.8
123.11687	15.5
131.08557	3.4
133.10033	7.1
135.11674	10.0
137.13260	7.4
144.27197	3.0
145.10149	4.2
147.11665	9.2
149.13274	4.6
151.11220	5.3
151.14798	6.0
159.11694	4.7
161.13263	11.8
165.12706	5.6
173.11687	7.1
173.13223	6.1
179.14333	5.3
203.27396	2.7
219.76939	3.1
243.21127	10.3
261.22217	17.6
279.23178	100.0
280.23444	3.9
297.24240	58.4
315.25244	4.4
334.47400	3.2
467.85434	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	495.3659
Annotation	28-Homobrassinolide
Peak:m/z	Relative Intensity
60.08175	0.5
71.08634	0.4
72.11199	0.4
81.07072	0.5
86.09703	1.2
89.06052	0.6
104.10744	4.1
124.99998	1.1
140.91190	0.7
175.11720	0.4
178.36867	0.4
179.28255	0.4
184.07404	2.7
258.15131	0.4
451.06381	0.5
477.17694	0.7
495.20200	2.8
495.36566	100.0
496.37173	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	495.3658
Annotation	28-Homobrassinolide
Peak:m/z	Relative Intensity
57.07083	2.6
68.32418	0.5
69.07080	0.8
71.08637	2.5
73.06548	0.8
74.75031	0.5
78.36439	0.5
83.89027	0.5
85.10167	1.4
85.54373	0.5
89.06029	7.9
97.44675	0.5
105.07078	0.5
133.08629	3.7
177.11293	0.6
184.07391	0.8
274.52713	0.6
275.20441	0.5
292.61279	0.6
309.38168	0.6
309.41748	0.6
326.23923	0.5
344.20813	0.5
495.36563	100.0
496.36896	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	495.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07083	2.6
68.32418	0.5
69.07080	0.8
71.08637	2.5
73.06548	0.8
74.75031	0.5
78.36439	0.5
83.89027	0.5
85.10167	1.4
85.54373	0.5
89.06029	7.9
97.44675	0.5
105.07078	0.5
133.08629	3.7
177.11293	0.6
184.07391	0.8
274.52713	0.6
275.20441	0.5
292.61279	0.6
309.38168	0.6
309.41748	0.6
326.23923	0.5
344.20813	0.5
495.36563	100.0
496.36896	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	496.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	5.8
56.96571	7.5
67.05501	2.5
69.03421	2.2
69.26232	11.7
70.18908	2.2
79.05478	3.4
81.07056	4.2
83.08624	4.2
85.02944	3.3
91.05476	4.6
95.08611	3.3
98.97574	12.2
100.11266	15.3
104.10753	2.7
105.01825	2.1
107.04968	7.9
111.04479	3.9
115.00745	3.4
116.98643	3.4
123.04484	2.4
131.04906	3.4
131.08597	4.3
141.07008	4.2
144.05756	3.2
145.06470	2.5
147.04395	3.2
156.05728	7.7
157.06436	3.0
158.99561	2.8
159.08092	8.3
161.06023	3.2
167.07066	42.3
167.08508	6.5
182.15477	8.6
184.05347	2.1
184.07352	3.9
187.07590	7.0
194.27347	2.3
196.50262	2.2
201.09221	3.2
202.06303	6.0
205.08566	3.2
209.16544	2.7
210.14943	8.6
217.08566	29.0
219.08128	3.8
219.10204	9.0
229.08578	4.8
231.08072	3.9
233.09683	3.1
247.07510	5.6
247.09792	17.3
248.08342	6.4
249.09206	2.8
261.09277	2.7
262.09851	2.6
263.10666	5.9
264.08002	2.5
265.11163	3.2
275.07071	3.3
276.07773	3.6
277.08786	2.6
279.10254	3.6
283.94351	2.2
289.11185	8.4
290.11676	12.3
291.10214	6.2
292.07388	3.2
293.08115	4.6
305.08200	3.0
307.09689	6.3
308.10242	5.0
315.08920	5.4
319.09729	4.6
321.07495	2.9
323.12863	5.3
326.28116	3.0
330.10983	4.4
332.12506	5.9
336.10339	2.8
337.10733	5.8
339.12381	3.7
346.71838	1.9
351.12363	11.2
352.13022	2.6
353.10419	5.5
368.12543	6.4
371.15009	11.8
383.14890	100.0
384.15317	3.1
401.15918	17.9
407.05371	2.6
423.39984	2.4
441.73608	2.3
443.17053	6.9
452.17844	10.2
463.71689	2.2
487.35571	2.3
495.86798	4.0
496.16656	92.3
496.24490	10.9
497.16632	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	496.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01528	1.1
50.20478	1.4
53.00301	2.3
55.01867	2.3
55.05508	8.2
57.03424	3.9
59.04992	1.3
61.02901	2.0
67.05504	6.4
69.03426	2.7
69.07056	1.9
71.01350	1.3
71.14487	1.9
73.02884	1.8
79.05489	3.8
81.03418	3.3
81.07063	6.3
83.08619	6.8
85.02889	4.6
86.09695	1.6
91.05482	11.8
93.07034	9.7
95.04940	1.7
95.08612	2.9
97.02894	3.1
97.06553	1.7
99.00822	12.5
99.04398	1.6
105.07034	7.4
107.04939	4.0
107.08599	5.0
109.02872	7.6
109.10160	2.6
111.03067	1.4
111.08070	2.5
113.06022	1.3
115.03935	2.0
117.07019	1.4
119.08554	4.1
121.06541	6.0
127.03921	3.2
128.06154	1.2
133.10126	22.1
135.11644	1.1
137.05989	1.3
139.07565	2.0
143.08537	4.0
147.04398	2.1
151.11176	8.8
161.09622	14.8
163.11148	1.9
171.08043	2.4
176.07611	1.2
179.10637	7.6
189.09138	7.8
197.11684	3.5
198.48140	1.1
207.10162	3.1
225.11247	12.5
242.27779	1.2
243.12283	2.9
274.97534	1.8
281.13870	3.8
299.14890	100.0
300.15320	2.8
317.16074	1.6
367.21036	2.0
410.18298	1.5
452.19394	4.2
453.20425	1.6
496.18439	12.4
496.25174	19.2
497.19800	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	496.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01875	1.7
55.05510	3.7
57.03437	1.3
57.07056	1.5
59.04993	1.9
60.18533	0.6
61.02933	1.5
67.05496	0.9
68.99821	0.7
69.03434	4.9
69.07071	1.3
69.33678	2.9
69.93999	0.5
70.28282	0.6
71.04996	5.8
73.02912	1.9
73.06570	4.2
81.03415	4.6
83.08631	1.2
85.02911	13.6
85.10165	1.1
87.00836	5.8
88.28646	0.6
95.08591	0.8
97.02900	7.1
98.97563	1.1
99.04459	2.5
105.01882	5.8
109.02888	5.3
109.10181	5.2
114.35795	0.6
117.01780	0.7
127.03922	10.3
127.11199	100.0
128.11525	0.9
129.01872	1.0
135.37749	0.5
145.04970	4.9
145.12244	7.5
151.81354	0.6
159.02904	2.4
167.08615	3.9
201.93263	0.6
213.03889	0.6
213.14894	1.4
231.04996	1.8
231.15929	14.1
238.77640	0.6
274.97586	1.2
338.96588	1.0
363.12839	0.5
470.70407	0.6
478.22354	0.6
496.16373	1.3
496.24835	3.8
497.18655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.1
57.03428	1.3
57.07070	1.7
61.02929	3.3
62.61119	0.9
67.05510	3.6
69.03432	4.7
69.07080	2.1
69.12019	6.0
73.02921	1.9
79.05495	8.0
79.10771	0.9
81.03421	1.9
81.07059	100.0
82.07375	1.3
85.02911	40.0
91.03956	2.3
95.08614	17.0
97.02901	8.4
98.97614	0.9
99.04464	1.7
100.11243	1.2
101.06096	0.9
103.76635	1.0
103.84080	1.0
107.02065	1.1
109.02894	2.3
109.10152	1.1
127.03914	10.5
132.17284	1.0
136.01611	0.9
137.13264	24.7
145.04968	19.0
147.04471	2.0
163.06032	10.6
175.00975	1.0
210.14775	1.1
274.97559	1.6
289.32425	1.0
325.11380	2.0
334.21368	1.1
344.17181	1.1
383.14297	1.4
496.16211	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10152	5.3
53.23454	4.5
55.05510	6.3
55.28904	5.4
57.03435	8.3
71.04996	64.7
73.84892	5.4
75.04483	6.1
78.06527	4.9
81.07070	10.3
81.26585	4.9
83.05011	9.6
85.02910	100.0
93.07054	17.5
95.08618	10.0
97.02849	6.2
98.23499	15.4
100.11269	25.1
107.08612	14.1
109.10173	22.1
111.04459	8.8
112.07691	6.4
129.05496	43.9
135.11729	49.5
147.06525	15.0
167.30122	5.2
182.15500	12.2
184.07344	13.2
210.14899	8.3
220.69310	5.4
274.97424	6.7
313.52472	5.6
354.02563	6.2
496.25760	7.4
496.38077	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	8.1
57.03430	9.2
58.79124	2.9
59.01455	3.4
59.05016	4.1
67.05506	9.3
68.18970	3.6
69.03429	3.9
69.07067	24.9
69.60563	10.0
71.04993	59.3
73.02924	7.8
75.04480	11.9
79.05501	9.8
81.07067	17.1
83.04990	33.9
85.02908	100.0
85.06539	5.2
86.18188	2.9
87.04528	4.0
91.05463	16.4
93.07045	57.8
93.07603	4.7
95.04964	35.0
95.08621	23.6
97.06546	12.0
98.23410	4.7
99.04465	4.9
105.07051	7.5
107.08599	48.2
109.10181	19.8
111.04449	4.4
116.37292	3.3
119.08604	3.7
123.08131	3.5
127.03959	6.7
129.05478	40.0
133.10129	4.0
135.08047	7.0
135.11696	69.1
145.04962	7.3
147.04407	9.5
147.06499	19.1
148.04715	3.6
151.11162	7.6
153.12735	32.3
163.03882	4.6
177.12865	4.1
184.07478	3.4
262.56854	3.3
294.25806	3.9
299.78149	3.6
496.18701	6.0
496.24927	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89960	2.1
54.04695	1.8
55.01884	2.2
55.05522	4.6
57.07069	2.9
61.02921	2.7
61.76372	2.2
64.96522	1.9
67.05514	11.8
69.03436	5.7
69.07071	9.0
69.17243	13.4
71.04993	16.2
79.05521	3.0
81.03426	5.5
81.07055	13.0
83.08630	2.5
85.02897	17.3
85.06562	4.3
87.00829	7.1
88.82751	2.0
91.05476	3.0
93.07046	6.6
94.36832	2.0
95.08623	14.0
97.02895	4.6
98.23438	3.6
99.04453	2.5
105.01882	3.1
107.08609	10.7
109.02878	5.0
109.10159	43.9
121.10142	19.2
122.20972	2.0
123.11694	5.8
125.09660	2.5
127.03916	9.0
127.11180	6.0
132.88246	2.5
135.11710	5.1
136.06206	5.6
137.13232	3.0
148.06113	4.8
153.12744	5.4
159.02936	2.2
163.03932	9.0
177.16389	25.6
195.17447	47.5
204.12428	3.6
205.10396	2.5
213.18486	100.0
231.19589	5.8
407.20654	3.4
425.21967	3.2
481.74008	2.4
496.18637	2.3
496.25000	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	496.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89960	2.1
54.04695	1.8
55.01884	2.2
55.05522	4.6
57.07069	2.9
61.02921	2.7
61.76372	2.2
64.96522	1.9
67.05514	11.8
69.03436	5.7
69.07071	9.0
69.17243	13.4
71.04993	16.2
79.05521	3.0
81.03426	5.5
81.07055	13.0
83.08630	2.5
85.02897	17.3
85.06562	4.3
87.00829	7.1
88.82751	2.0
91.05476	3.0
93.07046	6.6
94.36832	2.0
95.08623	14.0
97.02895	4.6
98.23438	3.6
99.04453	2.5
105.01882	3.1
107.08609	10.7
109.02878	5.0
109.10159	43.9
121.10142	19.2
122.20972	2.0
123.11694	5.8
125.09660	2.5
127.03916	9.0
127.11180	6.0
132.88246	2.5
135.11710	5.1
136.06206	5.6
137.13232	3.0
148.06113	4.8
153.12744	5.4
159.02936	2.2
163.03932	9.0
177.16389	25.6
195.17447	47.5
204.12428	3.6
205.10396	2.5
213.18486	100.0
231.19589	5.8
407.20654	3.4
425.21967	3.2
481.74008	2.4
496.18637	2.3
496.25000	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	496.34
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05504	0.3
56.05028	1.4
57.03435	0.5
57.07080	3.7
58.06575	1.5
59.07394	0.5
60.08168	19.1
67.05498	0.9
69.07076	0.3
70.74200	0.4
71.07376	6.4
71.08636	2.0
81.07052	0.8
83.08626	0.6
85.10188	1.1
86.09710	53.6
87.10065	0.3
90.30510	0.2
95.08607	0.9
96.43066	0.2
98.98471	4.3
104.10748	100.0
105.11062	0.5
109.10229	0.3
125.00009	30.5
163.01598	1.0
184.07350	95.2
185.07741	0.9
258.11087	0.9
308.73804	0.2
313.27512	1.7
333.33694	0.2
419.25290	0.5
478.32974	7.6
496.34000	32.1
497.34326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.2
55.21946	0.1
56.04795	0.1
56.05033	0.6
57.03444	0.2
57.07082	0.8
58.06349	0.2
58.06635	0.4
58.97884	0.1
59.07403	0.1
59.53955	0.1
60.08168	6.1
67.05495	0.1
69.07059	0.2
70.15833	0.1
70.16154	0.2
71.07377	2.5
71.08632	0.5
75.90444	0.1
81.07053	0.2
81.34247	0.1
83.08558	0.1
85.10207	0.3
85.70905	0.1
86.09710	29.0
87.10032	0.2
89.06054	0.2
95.08599	0.2
98.98464	2.6
99.52068	0.1
104.10746	3.0
109.10126	0.1
117.76871	0.1
125.00006	20.3
143.01031	0.1
184.07346	100.0
185.07634	0.9
199.11925	0.1
232.16969	0.1
258.11020	0.3
313.27289	0.3
478.33136	1.1
496.33945	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	496.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57134	0.4
56.05030	1.4
57.07067	3.8
58.06591	1.3
60.08164	18.6
67.05511	0.7
69.07071	0.6
69.23167	2.9
71.07376	5.7
71.08638	2.5
76.11362	0.4
81.07058	0.7
83.08623	0.8
84.27869	0.4
85.10172	0.8
85.39610	0.4
86.09705	51.5
88.02956	0.4
95.08599	1.0
98.98479	3.4
103.02834	0.4
104.10742	100.0
106.47575	0.5
109.10206	0.6
123.99895	0.5
125.00003	30.5
163.01535	1.1
184.07339	92.6
185.07782	0.7
203.61826	0.6
258.10995	0.9
313.27332	2.4
478.32941	10.0
496.33957	40.5
497.34485	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05490	1.5
57.03441	8.4
57.14004	0.4
58.06604	30.6
59.04981	0.4
59.07386	8.7
60.08167	8.2
60.11775	0.4
61.02922	2.2
61.12002	0.4
67.05508	7.1
69.03399	1.5
69.07055	1.6
73.02920	1.9
75.04490	4.2
77.03905	0.5
79.05110	0.4
79.05503	5.3
81.03409	0.9
81.07066	5.9
83.08610	0.6
84.08140	0.7
85.02492	0.3
85.02908	4.5
87.04475	5.0
87.91298	0.4
91.03961	1.0
91.05486	4.1
93.05489	0.4
93.07050	6.1
95.04951	1.3
95.08604	3.5
97.02863	1.7
99.04443	0.5
101.02364	0.6
101.06010	0.6
102.05549	0.4
103.03929	1.0
105.05489	1.2
105.07008	1.8
107.08609	2.0
109.10139	1.4
113.05981	0.4
117.07015	0.8
119.08591	1.0
121.10118	1.4
127.03939	0.9
129.05467	0.7
129.06975	0.5
131.07001	1.7
131.08578	0.9
135.11682	0.6
144.10199	5.9
145.10114	0.9
147.11707	0.6
149.13252	0.5
149.15201	0.4
158.30890	0.4
159.06537	0.4
159.11644	0.5
162.11258	4.5
163.14795	0.5
184.07300	0.7
187.14902	0.4
218.13872	0.5
236.14934	100.0
237.15309	1.0
261.22226	0.4
277.33160	0.5
324.84161	0.4
326.21744	0.4
335.25812	2.7
358.09644	0.4
434.36472	0.4
473.19904	0.5
478.35297	22.0
479.35898	1.1
496.36346	76.8
497.30234	0.8
497.36722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0694
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94763	0.7
59.52158	0.7
65.94315	0.8
69.03423	0.9
69.57220	0.7
70.06569	1.4
79.05477	2.1
80.05822	0.7
89.03918	9.0
99.26747	0.8
107.04971	2.4
110.07120	1.1
115.90991	0.7
117.03378	11.6
135.04419	20.1
145.02853	12.9
147.04460	0.7
156.91623	0.8
163.03899	61.2
164.04141	0.9
169.62096	0.7
173.00577	35.5
185.02097	79.1
186.02448	0.7
203.03145	0.8
221.03052	1.8
243.02760	0.9
274.96933	0.8
282.74783	0.8
317.02704	1.7
335.03723	100.0
336.04102	1.9
347.04050	1.4
353.84164	0.7
497.06601	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	497.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69428	3.5
53.86521	3.7
56.96568	16.4
61.39470	3.9
66.14000	3.7
70.06624	4.5
71.45798	3.9
85.02925	4.4
86.09671	4.7
93.07034	5.7
95.08588	6.2
98.97583	88.2
105.07020	4.7
107.08620	5.9
110.97585	14.2
112.99153	10.7
116.00333	3.4
116.98622	43.4
119.08608	11.7
121.10166	6.0
128.98648	7.2
131.00195	15.3
133.10144	13.8
134.99631	12.9
135.04428	4.3
140.98650	4.8
143.00217	5.3
146.99643	5.0
149.01224	5.2
151.07568	4.8
158.99641	65.4
161.01193	3.7
163.03946	7.1
173.01228	18.1
175.14864	17.3
177.00720	44.1
191.02298	9.3
195.01778	5.5
201.00789	13.3
219.01746	34.0
233.03519	5.4
237.02782	19.6
245.06248	3.7
258.63242	3.6
274.97556	5.4
291.12497	4.9
305.02469	4.7
332.10214	4.3
367.14380	13.1
372.31433	4.1
385.15408	12.2
393.15570	32.9
409.15469	20.6
411.16800	77.5
435.17123	15.5
453.17572	38.5
456.19830	4.5
479.19049	24.8
497.18683	100.0
498.19168	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	497.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.8
55.01877	7.3
55.05509	4.2
56.96566	4.0
57.03444	7.6
61.02943	7.0
67.05497	5.1
68.99802	5.1
69.03429	47.5
69.07070	5.6
70.04965	2.4
70.05299	3.3
71.04993	6.9
73.02930	7.4
79.05497	7.8
81.03419	43.5
81.07058	13.8
83.04987	1.8
83.08602	3.0
85.02907	100.0
85.06551	1.7
87.00833	35.6
91.03976	2.1
91.05486	6.4
93.07048	12.8
95.04987	2.3
95.08605	20.5
97.02905	27.2
98.23360	1.6
98.97579	3.4
99.04454	15.4
99.08076	2.2
100.11254	3.3
101.19177	1.6
103.03960	1.8
105.01865	30.3
105.07027	16.8
107.04975	2.1
107.08589	18.0
109.02878	36.2
109.10169	13.1
111.04469	5.2
111.08142	2.4
115.03933	1.8
117.01856	3.4
119.08581	12.8
121.10133	11.3
123.11699	5.8
125.09625	2.6
127.03926	60.3
127.04874	3.6
129.01848	5.5
129.05476	7.2
129.82701	1.4
131.08563	15.3
133.10129	7.6
135.11676	7.3
139.11188	5.6
143.08533	2.1
145.04959	24.6
145.10144	14.1
147.02892	3.6
147.06514	3.2
147.11710	9.1
149.13261	3.3
157.10161	3.0
159.02873	18.5
159.11653	3.4
161.13240	4.8
165.12775	2.0
173.13306	3.0
175.14862	8.1
177.16377	45.0
179.14395	2.3
179.41281	1.5
189.03914	2.0
195.11540	1.5
201.16382	12.9
203.17944	22.9
213.03986	2.5
213.16399	3.6
219.17274	1.8
221.19002	22.3
231.05040	17.8
233.06573	3.3
249.11624	2.4
249.18512	30.3
267.12625	3.7
274.97577	2.3
292.98608	2.1
338.96790	4.3
357.20721	3.2
377.03281	1.5
390.34311	1.5
407.20880	1.8
411.16858	9.1
453.18362	6.8
497.17773	23.9
497.24194	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1999
Annotation	Trp Glu Tyr
Peak:m/z	Relative Intensity
62.40253	0.3
64.45956	0.3
75.73975	0.3
85.02936	0.3
86.85778	0.3
93.07060	0.3
95.04974	5.2
106.47744	0.3
107.08646	0.3
119.08600	0.4
119.96207	0.3
121.10171	0.4
133.10103	0.5
137.06087	0.3
153.09128	0.4
227.05283	0.8
229.03467	0.7
231.13623	0.7
245.06378	1.1
249.14699	1.6
267.17917	0.3
271.04358	1.0
289.05344	4.0
393.18814	0.5
411.19876	5.4
435.20013	1.1
453.20953	20.3
454.21194	0.8
479.18954	1.7
497.19913	100.0
498.20377	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	497.2151
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
51.00689	0.4
57.90139	0.4
69.10738	0.4
92.46312	0.5
94.90725	0.4
98.93707	0.4
98.97592	0.9
100.19626	0.5
117.68445	0.5
136.05235	0.5
149.74408	0.4
151.07549	9.2
164.92076	0.7
165.09055	0.7
172.37065	0.5
188.08336	0.6
203.10710	0.9
217.12395	0.5
274.97620	1.0
335.36026	0.5
338.96906	0.8
340.16635	0.6
395.18408	1.1
435.28482	0.4
437.19324	3.8
440.98065	0.4
497.21448	100.0
498.21600	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	497.2363
Annotation	Glaucarubin
Peak:m/z	Relative Intensity
50.76901	0.6
65.37188	0.6
70.02631	0.8
70.02942	1.2
75.92256	0.5
93.07059	0.8
98.97604	2.2
116.98643	0.8
145.02844	0.8
177.05602	0.9
180.97923	0.6
238.84122	0.6
259.07956	1.5
261.14639	1.4
274.97568	1.2
335.18338	2.7
338.96786	2.0
376.02316	0.7
397.27072	0.7
411.08649	2.8
453.09799	1.4
497.23581	100.0
498.23874	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2365
Annotation	Glaucarubin
Peak:m/z	Relative Intensity
50.69675	0.4
69.10069	2.9
86.09709	0.4
97.03236	0.3
98.59165	0.3
98.97602	1.2
116.98667	0.5
119.35806	0.4
121.51315	0.4
125.69607	0.4
141.30943	0.4
274.97540	1.7
276.85501	0.5
292.98703	0.7
338.96921	1.7
428.93024	0.5
497.23621	100.0
498.23965	3.7
502.85632	0.4
511.06238	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.1
54.54316	1.5
55.01877	8.6
55.05506	3.9
57.03427	6.9
57.07059	1.4
57.70900	1.3
61.02922	6.1
66.66112	1.4
67.05502	4.8
68.83259	1.3
68.99791	4.2
69.03064	2.8
69.03429	48.9
69.07066	5.1
71.01327	1.3
71.05003	6.6
71.46478	1.1
73.02914	8.8
77.39317	1.2
79.05479	7.3
81.02957	2.4
81.03419	39.6
81.07063	14.5
83.01344	1.4
83.04996	2.4
83.08611	1.9
85.02905	100.0
87.00828	39.6
87.04465	2.2
91.03920	2.1
91.05458	6.6
93.07036	11.1
95.04968	2.3
95.08614	23.2
97.02893	27.4
97.06490	2.2
97.10147	2.8
98.97586	2.2
99.04446	16.3
100.11205	1.4
103.03948	3.1
105.01860	29.7
105.07031	18.5
107.08580	17.1
109.02174	2.9
109.02876	35.5
109.06513	1.6
109.10185	9.8
111.04452	2.5
111.08055	3.7
116.98604	1.9
117.01838	3.7
117.07016	2.3
119.08566	12.3
121.10150	14.3
123.11677	4.6
125.09628	2.7
127.03916	65.7
129.01839	5.5
129.05469	5.1
129.07047	1.4
131.08568	19.2
133.10132	6.5
135.11682	5.3
139.11174	5.5
143.08571	1.8
145.04961	27.2
145.10117	18.6
147.02870	3.6
147.06448	3.8
147.11662	9.6
149.13269	2.6
156.90564	1.4
157.10190	2.1
159.02901	20.5
159.08061	2.0
159.11714	3.7
161.13272	3.7
173.13271	2.9
175.14885	6.7
177.16377	42.9
179.14310	2.3
179.61290	1.4
189.03928	2.1
201.16344	13.6
203.17941	23.4
213.03949	4.1
213.16328	2.2
219.17545	2.3
221.19005	17.7
231.05003	18.6
233.06630	7.0
249.06145	2.1
249.18517	31.4
263.19998	1.7
274.97488	4.7
311.20081	2.0
335.09189	3.1
338.96826	4.2
357.20337	3.8
461.21701	2.3
497.17337	2.8
497.23886	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	497.2902
Annotation	Ardisenone
Peak:m/z	Relative Intensity
55.05505	0.4
55.35004	0.2
57.03448	0.5
61.32433	0.2
63.02384	0.6
67.05490	1.1
69.07062	0.4
69.39498	1.2
73.67232	0.2
78.04716	0.6
79.05495	0.8
81.07053	1.2
86.09730	0.4
89.03912	8.1
91.05483	1.0
93.07043	0.6
95.04990	0.5
95.08614	0.8
103.05480	0.4
105.07034	0.2
106.04153	0.6
107.08572	0.5
109.10119	0.5
117.03375	22.2
118.03666	0.3
119.04945	0.3
119.08566	0.3
121.10146	0.6
125.09585	0.2
131.08577	0.3
134.03645	1.3
135.04393	1.5
136.93073	0.3
142.23814	0.2
145.02843	49.8
146.03181	0.5
149.05974	7.6
154.94159	0.4
158.05974	0.6
162.03143	0.5
162.97676	2.1
163.03885	0.5
172.95264	0.7
177.05463	100.0
178.05835	1.3
186.05472	2.3
212.45863	0.2
285.22089	1.0
297.33963	0.3
303.23151	1.0
335.25735	1.4
463.30222	0.7
473.19601	0.5
474.20059	0.5
475.62454	0.3
497.16592	0.8
497.35770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.7
67.05490	1.4
69.21230	3.9
78.04716	1.1
79.05512	0.9
89.03920	11.6
93.07048	1.2
106.04166	1.1
110.80650	1.0
111.11967	0.8
117.03374	28.6
134.03635	2.5
135.04440	1.3
145.02847	60.6
146.03276	0.9
149.05984	9.6
155.53091	0.8
168.74384	0.9
177.05470	100.0
178.05774	1.2
186.05525	2.4
274.07419	0.8
303.23288	1.2
437.15903	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	497.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	3.5
53.03952	7.6
55.01867	5.9
55.05513	27.7
57.03445	32.4
57.07077	4.6
61.02932	61.5
65.03926	4.2
67.05509	97.1
69.03432	47.8
69.07077	23.9
69.56510	5.9
69.56903	3.8
71.01354	5.4
71.05006	9.6
73.02923	33.4
79.05496	68.5
81.03425	22.1
81.07060	100.0
83.01365	2.4
83.04992	10.9
83.08627	9.7
85.02908	59.4
85.06536	5.3
87.04467	4.6
91.03967	41.6
91.05487	44.7
93.07049	68.1
95.04983	11.5
95.08615	76.6
97.02900	52.1
97.06529	8.7
97.10207	6.4
97.31500	2.6
98.23405	5.0
99.04461	10.9
101.02393	13.3
103.03942	9.8
103.05513	3.4
105.04539	3.3
105.07038	42.4
107.04972	5.3
107.08604	37.6
109.02880	10.6
109.06522	10.0
109.10159	29.0
111.04465	4.5
111.08121	4.2
114.76625	2.6
115.03918	5.4
117.07023	15.0
119.08579	30.3
121.06522	5.8
121.10159	35.3
123.08090	5.3
123.11735	15.0
125.09641	4.1
127.03922	24.7
129.05501	6.8
129.07005	8.6
131.08566	24.2
133.06476	3.8
133.10156	25.6
135.08037	2.8
135.11708	25.3
137.13330	4.0
141.07030	3.0
143.08560	6.9
145.04990	8.9
145.10098	19.7
147.08009	3.7
147.11711	15.0
149.09610	3.6
149.13242	13.3
157.10159	5.4
159.11722	17.5
161.09665	3.3
161.13257	13.3
163.14894	5.9
169.10167	5.4
171.11708	7.9
173.13287	8.6
175.11215	4.0
175.14835	5.5
177.12836	2.9
183.06599	6.3
185.13303	4.2
187.14868	7.6
199.14851	4.5
201.07555	4.3
201.12651	2.9
207.06641	3.0
243.21097	5.9
247.89606	2.8
259.20651	5.9
261.22156	23.7
273.22208	4.0
277.21408	3.1
285.22214	3.2
303.23355	3.1
315.23181	2.8
318.68362	2.6
327.23224	3.5
335.25815	68.4
336.26273	3.9
345.24036	4.3
351.23459	4.9
363.25513	5.5
369.24335	5.1
387.25345	6.2
405.26471	3.6
425.01633	2.6
443.28018	7.6
461.28952	5.1
479.29987	10.6
497.31198	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	497.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13252	1.5
53.99337	1.3
55.05486	2.2
57.07072	2.6
62.56937	1.3
67.05463	1.6
69.07066	2.0
69.16522	8.2
79.05500	1.4
81.07049	2.7
84.26705	1.3
89.06010	2.0
91.70335	1.3
133.62724	1.3
134.98199	2.1
143.01064	1.4
167.00905	1.8
187.96983	1.4
195.09926	57.3
207.80467	1.5
230.02277	1.4
238.17271	1.4
340.29340	3.0
465.91125	1.4
479.34653	1.5
497.20056	5.8
497.26172	4.6
497.32175	100.0
498.32355	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	498.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98579	0.4
69.22031	0.4
77.39913	0.5
78.77023	0.5
79.05485	1.1
85.02917	0.5
88.29760	0.5
89.03928	1.0
91.05469	0.6
91.21835	0.4
93.07034	1.7
95.04986	0.7
97.02868	0.4
103.05461	7.0
107.04935	2.6
117.03373	0.6
120.08103	100.0
121.06519	1.7
121.08429	1.0
131.04929	2.7
131.73235	0.5
135.04436	2.6
136.04784	0.6
139.03857	0.9
145.02870	1.0
146.03256	0.6
149.05991	1.8
163.03888	6.7
164.04257	3.7
166.08635	53.6
167.08952	0.6
171.06535	2.3
172.68637	0.5
173.00577	4.2
174.00929	0.9
182.04529	2.5
183.04797	1.1
185.02098	7.9
186.02431	4.7
199.07158	1.6
200.07510	0.8
222.03131	0.6
335.03702	6.3
336.04031	10.1
362.27701	0.5
494.95276	0.6
498.07184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45282	3.0
53.59026	3.2
55.05502	6.9
57.03424	6.4
67.05497	11.4
69.07069	15.3
69.78342	11.8
79.05495	8.8
81.07060	35.7
83.08621	13.9
85.06571	7.6
90.71813	3.1
91.05421	3.2
93.07056	20.0
93.26284	3.2
95.08611	11.5
97.06539	7.2
97.10182	5.5
98.22720	4.3
99.04453	3.2
105.07043	6.2
107.08591	10.7
109.10175	4.2
111.08087	6.5
116.31913	3.2
117.03363	4.4
121.10164	6.5
125.06001	8.4
131.08569	4.7
133.10101	4.1
135.11688	4.6
145.02850	13.7
147.11673	5.5
148.74489	3.1
149.13289	22.1
159.11705	6.1
167.14255	8.5
169.10078	3.6
175.14890	3.4
177.05460	21.4
203.14342	4.8
221.15392	8.2
231.15996	18.0
234.11267	13.4
301.21643	9.5
357.22723	100.0
361.65683	3.4
408.30081	3.3
498.25620	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
55.01864	4.1
55.05526	2.7
57.03448	6.1
61.02920	3.5
64.59998	1.1
65.03922	1.8
67.05508	19.7
69.03442	1.6
69.07060	3.6
69.70014	3.2
69.70354	2.1
70.06583	2.2
71.04984	1.7
79.05492	17.1
79.54082	1.3
81.03421	5.2
81.07050	14.9
83.04980	7.4
83.08609	2.3
85.02895	5.3
85.06535	5.0
91.05477	8.7
93.07040	15.9
95.04959	9.3
95.08594	5.9
97.02876	2.6
97.06528	6.0
99.04430	2.0
100.11272	9.6
105.07037	4.4
107.04950	21.4
107.08595	8.0
109.02908	1.1
109.06516	2.4
109.10178	1.9
109.94467	1.2
111.04458	10.8
111.08060	1.9
111.92693	1.1
117.07008	4.3
119.08562	7.7
121.06499	2.8
121.10155	15.0
123.04482	1.7
123.08069	1.7
129.07027	1.5
131.04955	2.2
131.08574	5.6
135.08041	1.1
135.11696	17.6
145.06439	4.6
145.10120	19.8
147.04378	1.4
148.07584	1.9
149.09647	4.4
153.12749	4.4
155.08568	5.9
163.11183	30.8
173.09625	19.2
179.75986	1.2
181.12244	9.0
182.15375	3.6
183.14879	1.3
191.10660	14.3
209.11710	7.8
209.16423	2.9
210.14848	2.6
211.14310	1.4
227.12808	7.7
245.84293	1.1
265.14349	23.2
283.15414	100.0
284.15775	3.4
301.16464	94.3
302.16708	4.7
323.15402	1.2
360.36243	1.2
435.33353	1.7
453.34451	18.8
463.22159	1.2
498.11447	4.6
498.20151	16.4
498.26730	2.2
499.20172	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	12.4
57.07075	19.0
59.04994	40.0
63.97456	12.2
67.05505	16.4
69.03426	36.4
69.07060	52.5
69.73152	38.6
71.04993	27.1
73.06556	13.1
79.05507	10.5
81.03418	27.4
81.07063	18.0
84.80926	9.6
85.02905	98.9
87.00817	53.6
93.07027	17.7
95.61330	9.2
97.02911	48.0
99.04439	17.0
104.01611	10.8
105.01875	87.0
105.05530	17.8
109.02859	47.1
109.10140	28.9
111.11727	52.5
121.06525	16.7
127.03914	95.3
127.11195	64.7
129.12770	100.0
145.04936	36.9
155.08574	20.0
159.02847	18.1
169.10156	21.7
180.12099	10.5
215.16496	34.5
231.05003	42.4
236.16231	55.6
279.65060	10.8
336.17786	12.5
369.19379	19.9
380.24683	10.2
386.75470	10.3
498.22891	83.2
499.21069	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	498.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	10.0
55.01865	8.6
55.05506	7.3
57.03442	5.7
57.07071	8.5
58.37386	2.0
59.05005	44.0
61.02933	7.6
64.02960	1.9
66.21835	2.2
67.05522	2.7
68.99774	2.8
69.03434	33.3
69.07068	35.8
69.25639	13.2
71.04990	7.4
71.08632	6.1
73.02922	7.1
73.06532	10.3
75.78294	1.9
77.06048	2.8
78.25970	2.1
81.03418	22.9
83.08619	2.6
85.02911	100.0
85.10197	2.3
85.43828	2.2
87.00832	47.5
87.04459	9.5
87.04910	2.4
91.03982	2.5
94.42747	2.1
97.02894	50.5
97.10168	4.0
98.22761	3.7
99.04457	12.1
105.01154	3.6
105.01871	71.7
105.05503	20.1
105.07017	3.2
106.34969	2.1
107.08629	2.4
109.02884	28.0
109.10155	8.5
111.11713	43.6
115.03961	2.3
115.11279	4.0
117.01869	2.1
119.08619	2.1
121.06536	3.0
121.10162	2.4
126.68032	1.9
127.03907	72.3
127.11196	17.0
129.11792	4.8
129.12758	99.6
138.77019	2.1
143.10736	3.7
145.04968	34.8
145.12222	3.7
147.02989	2.6
154.07738	2.6
159.02840	12.4
168.56982	2.0
169.08667	3.8
169.10127	73.5
213.03986	6.0
215.14262	2.5
215.16425	7.3
231.04977	27.1
233.17479	8.7
237.14809	2.5
249.06090	12.9
264.16068	2.3
301.11633	3.8
319.23444	2.5
341.11517	2.9
373.13882	4.4
487.02298	2.3
498.30383	3.9
499.21231	8.8
499.28391	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	498.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	1.4
57.03603	0.8
57.07008	0.8
57.07276	0.8
58.06498	3.7
59.07302	1.3
60.08059	3.4
60.08392	1.3
62.98149	8.7
62.98515	1.8
67.05442	1.3
69.68217	1.6
71.07286	1.3
81.06982	1.4
86.09579	6.4
87.04397	0.7
87.09952	1.3
95.08513	1.0
98.22703	0.8
98.36018	0.6
104.10602	11.3
105.10938	3.0
124.93767	30.0
124.94598	1.3
125.00013	3.6
127.00230	0.7
142.94820	4.0
144.10069	2.0
167.97969	33.3
178.05614	0.9
183.98933	0.6
184.07324	10.2
185.07620	3.9
185.99025	3.7
186.07631	2.6
194.50700	0.6
198.97273	1.4
236.14915	15.8
241.14845	0.6
287.25760	0.7
291.30566	0.6
343.83411	0.7
437.20386	100.0
438.20734	2.8
442.21750	0.7
455.21490	1.4
480.37531	3.6
498.25699	77.5
498.37601	13.3
499.25464	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	498.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97166	4.8
55.05513	16.9
67.05508	17.6
68.29097	5.3
69.07069	36.0
69.19794	14.7
69.20200	17.5
69.48425	5.2
72.51080	5.6
79.05511	13.9
81.01344	5.4
81.07063	55.1
83.08634	10.6
91.05482	19.0
93.07053	17.0
95.04973	16.6
95.08625	40.3
97.06531	8.1
97.10092	6.2
99.08086	6.3
100.34411	4.9
102.25631	4.9
104.08891	4.9
104.94118	5.3
105.07036	77.2
107.08611	20.7
109.10161	36.0
117.07008	6.8
119.08589	34.9
121.10174	14.0
123.11718	12.6
125.06041	25.0
125.13233	6.8
131.08571	54.9
133.06555	5.4
133.10136	18.5
135.11734	9.7
136.07585	23.4
142.07834	6.7
143.08546	6.8
145.10135	100.0
147.08101	9.4
147.11723	18.0
149.06017	6.5
149.13269	10.1
151.07581	6.6
155.08560	9.1
157.10133	19.9
159.11688	32.8
161.09641	5.5
161.13287	14.9
163.14830	10.4
165.05533	14.9
169.10237	13.0
171.11659	25.2
173.13254	39.8
175.11214	13.7
182.08148	45.4
183.11742	8.4
187.14868	15.4
188.28561	5.3
189.16367	6.5
193.77356	5.1
197.13290	17.6
201.12680	7.6
201.16351	5.6
211.14966	6.5
227.17963	11.5
243.21045	55.5
253.19475	29.3
271.20560	80.2
289.21616	10.9
299.20038	16.7
317.21140	12.1
343.29507	5.6
406.27505	13.7
452.27994	90.4
462.26300	11.5
480.27679	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57215	0.3
51.19728	0.3
53.97994	0.3
55.05490	1.5
56.59265	0.3
57.03442	6.0
57.07054	0.6
58.06604	28.5
59.04993	0.6
59.07385	8.8
60.08167	8.8
62.98221	0.6
67.05509	4.6
69.07066	2.0
69.58048	0.4
71.08637	0.4
72.97506	0.3
73.02917	0.7
75.04483	3.8
79.05502	2.0
81.07059	3.9
83.08598	0.5
84.08105	0.5
85.02902	2.5
86.09679	1.2
87.04481	5.0
87.10033	0.3
89.55029	0.4
91.05472	1.2
93.07013	1.4
95.08618	2.9
100.11234	0.7
100.82233	0.3
103.03928	0.8
105.05502	0.7
105.07063	0.5
106.14799	0.3
107.08566	0.5
109.10127	1.0
113.06023	0.6
116.49264	0.4
119.08580	0.4
121.10139	0.4
124.93783	1.0
125.00013	0.4
131.07043	2.4
133.10081	0.5
144.10205	7.4
144.45033	0.4
145.02902	0.4
146.22821	0.3
156.11075	0.3
162.11270	4.0
162.97733	0.5
167.97961	1.1
177.05495	0.7
184.07274	2.0
185.07698	0.6
186.07747	0.9
201.30360	0.4
218.13866	0.7
236.14934	100.0
237.15233	1.3
337.27490	0.5
340.65323	0.3
436.38016	0.6
437.20380	3.5
480.36865	19.6
481.37399	0.6
498.25763	3.0
498.37912	74.2
499.38220	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	498.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.0
57.07078	40.3
67.05502	1.1
69.07076	2.0
71.08632	24.1
73.06566	6.0
83.08633	1.9
85.10183	21.3
87.04472	3.2
89.06034	100.0
95.08638	1.2
97.10169	4.4
99.11733	3.4
104.10749	1.2
107.07053	1.4
117.09162	3.0
130.08710	2.5
131.07053	2.3
133.08606	57.7
148.37241	1.0
155.17947	5.8
161.11775	1.6
177.05537	2.2
177.11224	24.6
184.07300	1.6
199.20503	5.4
221.13939	5.0
238.63425	1.2
239.14955	2.1
243.23212	12.2
256.26395	1.6
283.17502	3.0
287.25845	7.8
327.20044	12.1
393.32288	1.3
437.34668	1.7
445.33621	1.2
460.37576	1.2
481.37396	20.1
498.40659	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	499.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06612	2.0
177.05507	1.4
243.08263	1.6
331.10001	47.8
495.77872	1.2
499.14230	100.0
500.14362	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	499.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14531	0.6
63.83176	0.7
67.81754	0.6
70.34439	1.8
76.53027	0.6
100.07617	4.1
123.02975	0.7
137.05986	0.6
151.05423	0.6
178.93445	0.7
189.07050	0.7
191.08762	0.9
202.07721	0.7
203.08604	1.0
205.06551	1.9
206.07246	2.1
218.07210	1.7
231.08113	0.8
232.05280	1.6
233.05963	0.9
234.06764	10.1
244.05254	2.3
245.05972	1.6
246.06830	1.1
247.07579	1.4
248.08275	0.8
249.09009	1.1
259.07568	1.3
260.04623	4.2
261.05435	1.3
261.08841	0.8
262.06238	13.3
272.04788	3.8
273.05524	1.6
274.06155	3.6
275.03036	0.7
275.07001	2.9
276.07819	1.2
277.08548	10.2
279.06360	0.9
287.07053	18.2
288.04086	0.8
289.04944	1.2
290.05713	24.0
290.08936	1.4
291.06372	1.0
302.05652	0.8
303.06467	2.7
304.07147	4.5
305.08057	21.4
307.05847	1.0
315.06558	6.0
318.05203	8.1
319.05978	2.4
322.08115	1.2
333.07553	68.5
334.08234	5.2
365.10193	100.0
366.10526	2.9
367.11908	1.5
370.30115	0.7
383.11252	17.8
383.15891	1.3
407.41068	0.7
456.24261	0.8
481.19586	0.9
482.18057	7.1
499.21112	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27900	0.4
67.05506	0.4
69.03434	0.5
71.04986	0.5
71.47575	0.6
79.05495	0.6
81.07049	0.8
82.69083	0.6
85.02906	0.9
90.06298	0.5
93.07049	0.9
98.75872	0.5
99.04453	0.5
107.08572	0.8
107.70914	0.5
116.99940	0.5
119.08611	0.6
147.11665	0.6
192.51054	0.5
233.15256	1.8
236.70792	0.5
242.04828	0.5
245.06407	0.9
251.16182	11.1
263.09760	0.5
279.15765	1.1
293.17404	0.6
395.20621	1.6
413.21466	14.3
437.21790	0.8
455.22534	26.1
456.23050	1.7
499.21524	100.0
500.22083	4.4
500.28912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2307
Annotation	Heteroclitin C
Peak:m/z	Relative Intensity
50.95573	0.4
51.70201	0.4
54.30101	0.4
56.96565	0.8
59.10769	0.4
59.27043	0.4
63.14244	0.4
66.89291	0.4
67.05511	0.6
69.07061	0.8
70.62947	0.5
78.40124	0.4
80.82578	0.4
81.07057	0.8
92.14059	0.5
93.07057	0.5
95.08586	0.7
97.13113	0.5
108.21961	0.5
111.38768	0.4
121.10194	0.5
126.21925	0.5
154.93217	0.5
166.78894	0.4
172.94301	1.7
190.95317	0.8
195.09906	3.2
198.99947	1.3
207.06511	0.5
214.02364	26.8
215.03070	1.3
223.09409	1.9
229.04721	20.2
230.05328	0.6
239.56996	0.5
259.05814	1.0
260.93420	0.5
287.05304	1.8
335.82159	0.4
369.12997	0.7
397.12552	7.7
399.14301	0.5
412.14984	0.7
415.13660	2.9
430.16013	23.6
431.16339	0.8
440.15213	0.7
458.16315	1.0
467.20251	0.9
476.17044	1.2
499.23019	100.0
500.23392	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.117
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49374	3.9
70.06593	6.3
72.08152	6.1
75.73184	1.4
81.07098	1.3
84.04529	1.4
86.09717	4.2
98.22687	2.3
105.07030	2.4
105.15807	1.7
110.07162	1.6
119.04996	3.2
120.08090	1.5
133.06493	2.0
137.06035	1.9
147.04384	15.2
149.94609	1.2
161.06009	2.8
163.03912	1.6
170.99622	1.6
193.08612	2.4
237.02934	1.3
291.78476	1.3
500.11667	100.0
501.12045	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08075	0.6
55.01855	2.1
58.99583	6.2
64.61652	0.5
67.35551	0.7
69.13992	0.7
69.46579	1.2
69.46942	2.1
70.06229	0.6
70.06579	3.4
72.08134	1.0
72.22298	0.6
76.02228	36.3
76.03993	0.8
79.05496	6.4
80.04956	0.6
84.04501	9.2
86.09706	1.4
86.99020	0.9
87.01888	0.6
88.02229	0.7
89.03929	1.1
90.04707	0.7
91.05485	1.9
95.04975	1.4
98.23439	1.3
103.05461	7.7
105.07031	63.6
115.05453	11.2
116.01678	8.9
116.86909	0.7
118.04157	5.2
130.05006	6.0
131.04916	2.0
133.06490	65.7
134.06822	1.0
142.03224	3.2
143.04950	1.2
143.06044	6.6
144.01134	4.6
161.05980	100.0
162.02193	17.7
162.06377	1.5
163.03909	1.1
169.09700	0.8
170.02774	1.6
179.04855	36.7
187.05486	1.2
193.08606	66.3
194.08871	1.0
215.04810	0.6
233.05914	9.8
245.05853	1.6
285.69928	0.7
290.08112	1.0
291.06506	1.2
293.08011	1.0
308.09100	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01876	0.3
55.05512	3.8
55.34957	0.1
56.05035	4.2
56.05311	0.2
57.03437	1.2
57.07085	0.2
58.06594	0.2
60.08161	0.8
63.26965	0.1
64.97954	0.2
65.03941	2.7
65.15676	0.1
67.05504	7.2
68.05811	0.2
69.07069	1.9
69.42424	0.6
70.06580	0.7
71.04977	0.5
71.07374	21.3
72.08162	0.3
77.03920	0.2
77.10024	0.1
79.05492	7.1
80.97457	0.2
81.03432	0.2
81.07057	5.7
83.04985	1.4
83.08630	0.8
84.08123	0.2
86.09706	81.5
87.10036	0.5
90.99496	0.5
91.05481	3.6
93.07043	7.5
95.04966	1.2
95.08612	4.2
97.06525	0.3
98.98468	8.8
104.10749	1.7
105.04525	0.5
105.07014	1.7
106.98948	0.2
107.08601	3.3
109.06550	0.2
109.10160	1.4
117.07018	0.6
119.08575	1.3
121.10142	2.5
123.11710	0.3
125.00002	23.2
131.08568	1.0
133.10158	0.8
135.02049	0.2
135.11670	1.1
136.99986	2.9
145.10115	0.5
147.11707	0.4
149.13254	0.4
150.76305	0.2
151.01576	0.4
159.11668	0.3
163.01550	21.3
164.01930	0.2
166.02605	0.2
173.13234	0.2
181.02612	2.3
184.07338	8.1
198.96790	0.2
305.25061	0.1
317.17825	0.4
335.19107	0.1
359.25366	0.2
441.23984	6.0
442.24414	0.2
500.31342	100.0
501.26065	0.2
501.31683	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	500.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
55.01876	0.3
55.05512	3.8
55.34957	0.1
56.05035	4.2
56.05311	0.2
57.03437	1.2
57.07085	0.2
58.06594	0.2
60.08161	0.8
63.26965	0.1
64.97954	0.2
65.03941	2.7
65.15676	0.1
67.05504	7.2
68.05811	0.2
69.07069	1.9
69.42424	0.6
70.06580	0.7
71.04977	0.5
71.07374	21.3
72.08162	0.3
77.03920	0.2
77.10024	0.1
79.05492	7.1
80.97457	0.2
81.03432	0.2
81.07057	5.7
83.04985	1.4
83.08630	0.8
84.08123	0.2
86.09706	81.5
87.10036	0.5
90.99496	0.5
91.05481	3.6
93.07043	7.5
95.04966	1.2
95.08612	4.2
97.06525	0.3
98.98468	8.8
104.10749	1.7
105.04525	0.5
105.07014	1.7
106.98948	0.2
107.08601	3.3
109.06550	0.2
109.10160	1.4
117.07018	0.6
119.08575	1.3
121.10142	2.5
123.11710	0.3
125.00002	23.2
131.08568	1.0
133.10158	0.8
135.02049	0.2
135.11670	1.1
136.99986	2.9
145.10115	0.5
147.11707	0.4
149.13254	0.4
150.76305	0.2
151.01576	0.4
159.11668	0.3
163.01550	21.3
164.01930	0.2
166.02605	0.2
173.13234	0.2
181.02612	2.3
184.07338	8.1
198.96790	0.2
305.25061	0.1
317.17825	0.4
335.19107	0.1
359.25366	0.2
441.23984	6.0
442.24414	0.2
500.31342	100.0
501.26065	0.2
501.31683	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	500.322
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27638	2.9
55.05511	9.9
57.07080	6.0
67.05502	9.2
69.07067	36.7
74.34412	2.9
79.05492	38.0
81.07054	45.6
83.08614	18.5
85.02901	6.5
91.05471	17.3
93.07039	20.7
95.04983	5.9
95.08599	19.3
97.02841	4.1
97.06538	17.1
97.10165	8.2
105.07022	21.7
107.04947	10.3
107.08580	9.4
109.10165	15.0
111.11735	8.7
116.80598	3.5
117.07044	4.0
119.08572	12.8
121.10152	4.7
123.11707	9.2
125.05983	100.0
125.09585	3.4
125.13305	8.3
126.03437	3.7
127.03960	4.1
131.08586	11.1
133.06476	4.6
133.10132	27.1
137.06007	8.2
143.08557	4.1
145.10117	8.8
147.11713	14.2
151.07530	5.9
151.14752	5.5
157.10170	4.2
159.11716	4.6
161.09605	66.5
161.13281	7.6
171.11758	3.9
173.13327	7.8
175.11194	47.5
175.14732	3.6
177.09096	4.1
179.10651	37.7
185.13249	5.0
189.12721	7.4
191.10515	3.6
193.12204	40.2
199.14868	3.5
203.14349	7.6
207.13893	5.9
211.14885	3.6
215.14183	3.3
219.13725	7.4
221.15317	22.0
233.15378	5.0
247.13126	3.4
247.16808	5.3
257.22610	15.7
267.20938	7.8
269.57269	3.1
284.42200	3.3
285.22128	49.0
303.23096	33.0
343.09262	3.1
376.22882	3.1
500.29938	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	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.9
57.07059	5.1
57.12709	1.9
59.04996	17.6
67.05504	10.0
68.71350	2.2
69.03422	2.3
69.07069	40.0
69.10503	7.8
69.10915	7.4
79.05495	45.5
81.07059	42.4
83.08620	15.8
85.02900	8.5
89.87826	2.3
91.05477	14.3
93.07050	14.9
95.04964	2.6
95.08614	22.8
96.92169	2.4
97.06544	13.1
97.10174	3.8
103.90784	2.2
105.07040	22.1
107.04948	8.1
107.08594	12.6
108.34013	2.5
109.06524	5.2
109.10176	14.3
111.11716	4.3
117.06989	2.3
117.09125	6.8
119.08566	16.4
121.10162	6.2
123.11710	7.4
125.05996	100.0
125.13270	8.6
131.07674	2.5
131.08586	7.6
133.06483	5.1
133.10129	29.9
135.11690	3.3
137.06015	10.4
137.13278	3.8
143.08527	3.7
145.04996	2.4
145.10120	9.9
147.08037	2.1
147.11705	10.1
149.13303	2.4
151.07523	6.1
157.10103	2.4
159.11707	4.8
161.09613	57.6
161.13258	5.1
173.09578	3.1
173.13319	4.2
175.11183	32.6
175.14803	3.6
177.09065	2.3
177.16223	2.3
179.10669	24.9
187.14957	4.3
189.12782	7.2
191.10655	2.7
193.12282	19.6
197.55641	2.3
201.16354	4.4
203.14268	16.5
207.13832	5.1
215.14316	3.9
219.13760	7.2
221.15364	37.2
229.15944	3.9
233.15324	4.5
233.17462	2.9
247.17001	3.2
257.22656	16.9
267.21133	8.0
276.88644	2.6
285.22122	69.1
303.23157	22.3
447.27298	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	500.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15958	1.4
52.84700	1.1
53.03942	1.3
55.01867	2.6
55.05511	9.4
57.07082	2.3
67.05502	19.2
69.03423	2.7
69.07061	11.6
69.48949	3.0
69.49329	4.5
71.05007	1.9
71.08646	7.6
79.05502	14.2
81.03408	10.6
81.07050	16.2
83.04988	3.9
83.08603	4.4
85.06545	1.9
86.09693	1.3
91.05475	8.7
93.07045	18.1
95.04958	11.4
95.08602	15.3
97.06544	3.7
97.10169	4.4
99.08123	4.7
101.88907	1.3
105.07043	4.7
107.08601	9.7
109.06548	2.7
109.10168	9.3
117.06947	1.6
119.08595	5.2
121.10124	10.6
123.11707	2.6
124.99885	1.5
125.09610	3.1
131.08546	2.7
133.10117	6.9
135.11694	4.7
137.09605	10.8
139.11179	3.2
143.08504	2.0
147.11722	3.2
149.13272	3.9
151.11194	8.7
159.11734	1.9
161.13243	2.0
189.11230	2.1
198.97618	1.4
221.15439	2.4
241.19615	2.5
249.22060	2.9
277.21631	61.4
278.21857	1.7
295.22665	100.0
296.23087	1.6
380.44244	1.4
500.32562	2.5
500.39703	1.6
501.19064	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.3
55.05513	2.7
57.03438	6.3
57.07082	1.2
58.06603	27.7
59.05003	0.3
59.07385	8.7
60.08167	8.4
61.52202	0.2
67.05507	1.9
69.07070	3.9
69.76357	0.6
71.08636	0.5
73.02924	0.8
75.04482	3.8
79.05492	0.8
81.07060	2.4
83.04998	0.2
83.08620	1.9
84.08159	0.5
85.02918	2.1
85.10183	0.3
86.09717	0.2
87.04472	4.9
88.42014	0.1
91.05495	0.2
93.05541	0.4
93.07047	0.9
95.08619	2.2
96.47121	0.2
97.06540	0.4
97.10171	1.1
100.11266	0.2
102.05586	0.2
103.03926	0.5
104.42701	0.2
105.05503	1.1
107.08619	0.5
109.10180	0.6
113.06021	0.8
121.10123	0.9
131.07007	2.1
135.11720	0.4
144.09055	0.4
144.10204	7.3
149.13229	0.3
159.06557	0.4
162.11263	4.2
200.12819	0.4
218.13916	0.8
236.14928	100.0
237.15259	1.2
280.01074	0.2
313.93628	0.2
335.29544	0.2
339.29065	0.3
354.51038	0.2
371.31699	0.5
395.31747	0.2
395.84848	0.2
427.34219	0.2
438.39297	0.4
466.45166	0.2
472.56458	0.2
482.38412	19.1
483.38464	0.7
500.39465	61.9
501.39740	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	501.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	8.8
57.47916	0.6
67.08990	0.6
69.03437	1.5
69.97973	1.2
69.98301	1.2
70.06590	1.7
81.07057	1.7
84.04497	0.7
84.08146	1.2
84.96027	4.2
85.02914	8.3
86.09707	1.6
91.05468	0.9
91.51462	0.6
97.02901	6.2
97.96808	3.6
98.23468	0.7
98.97584	31.9
102.09247	0.6
105.06998	1.0
110.97569	10.1
112.99126	1.3
115.03903	1.4
115.97891	1.1
116.98622	10.9
119.08565	1.0
121.10125	0.9
123.11697	5.9
124.99135	1.0
127.03870	0.9
128.23058	0.6
128.98613	10.3
131.00185	0.7
133.04982	1.1
134.99677	2.6
140.98576	3.1
143.00182	4.1
144.98102	1.6
145.10156	1.1
146.99677	4.3
147.11676	1.2
149.09619	2.9
152.98643	2.7
155.00180	1.5
156.09390	0.7
158.99652	7.8
161.01198	3.8
162.99210	1.5
165.02290	1.7
167.10651	1.5
170.99649	3.7
173.01224	2.1
177.00691	6.4
179.02261	0.9
179.03773	1.1
183.03246	1.1
187.92519	0.7
189.00703	1.8
189.02229	1.5
189.12776	3.8
201.00717	3.1
207.03284	11.8
207.13792	3.7
219.01746	18.0
219.13799	1.1
225.04396	4.8
225.14938	1.6
233.04836	0.6
235.02762	0.7
237.02797	25.1
242.03342	0.7
247.09674	0.9
249.04587	1.4
255.03938	1.0
261.04367	1.5
267.05298	0.9
303.15921	0.8
309.06448	10.9
321.16946	0.9
327.07516	34.5
349.64059	0.7
350.09235	1.5
351.17953	1.5
387.39972	0.7
441.10684	100.0
442.10986	2.1
463.09189	0.7
501.12094	1.4
501.23383	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	501.137
Annotation	Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate
Peak:m/z	Relative Intensity
64.51831	0.8
70.06597	1.0
71.38161	1.1
105.03738	0.9
147.04462	1.1
175.94473	0.7
267.14557	0.8
334.26935	0.8
469.11032	3.0
501.13678	100.0
502.14227	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70979	0.9
65.38890	0.7
65.97434	0.8
70.06594	1.7
70.83349	1.3
74.27839	0.9
84.74445	0.7
94.93015	17.4
112.89594	2.9
120.96654	8.6
136.94029	5.2
148.94063	2.4
150.97714	2.1
158.92206	8.7
160.94012	6.4
166.95224	2.0
180.98737	1.6
184.88014	1.0
201.29443	0.9
203.05301	3.7
216.90659	2.7
218.92311	3.1
232.92415	0.8
241.00879	1.6
242.19144	0.8
243.89417	4.4
244.90140	10.5
246.90009	1.7
256.98282	1.0
268.92136	2.2
284.89444	4.3
288.89050	4.5
294.89917	1.4
300.86798	53.3
301.87173	1.3
302.86639	2.0
310.87552	2.2
326.84726	29.3
327.85324	1.0
328.88647	0.8
365.10580	12.8
368.83267	1.8
381.07959	3.4
403.06079	5.8
419.03262	5.6
434.78488	0.9
464.90958	1.5
469.11017	3.3
501.13708	100.0
502.14127	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	501.1737
Annotation	Sideroxylonal C
Peak:m/z	Relative Intensity
55.05502	1.7
57.76522	1.5
65.08580	1.6
69.94681	2.2
69.95013	3.4
70.06601	1.4
81.07108	1.6
86.09705	1.6
99.96898	1.6
100.11246	3.1
107.08611	2.0
120.02287	1.5
138.74432	1.4
146.58357	1.7
197.37961	1.5
210.15184	1.7
261.65982	1.4
275.15125	1.6
333.05930	3.1
492.35989	1.7
501.17303	100.0
502.17688	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
53.68598	0.5
55.01865	1.0
57.03439	3.6
61.02924	2.5
69.03435	11.2
69.69658	1.2
69.70048	1.3
71.01329	0.9
71.04955	0.8
73.02912	4.0
81.03388	2.4
85.02908	8.5
87.04427	2.1
97.02888	5.0
101.02380	1.1
105.03360	1.8
109.02863	1.4
118.97961	0.6
127.03923	1.0
131.04893	0.9
137.05956	0.8
137.74278	0.6
149.05995	0.7
161.05948	0.9
171.08049	0.8
189.05406	0.9
189.06912	3.6
190.06192	1.0
190.07784	9.3
191.08554	6.7
192.09264	1.1
201.07002	1.6
202.07774	10.9
203.08539	5.6
205.06415	1.8
205.10100	1.4
206.07162	0.6
207.04395	0.8
207.08051	0.8
211.07333	0.5
215.08569	2.2
216.08992	0.7
217.10075	0.7
218.07268	16.2
219.08034	17.5
220.08772	2.3
221.05936	0.6
222.06703	1.2
229.06511	2.3
230.07257	4.3
231.08034	6.8
232.08769	2.1
233.09607	15.8
234.10397	1.5
235.07555	2.4
235.11243	0.9
236.08336	2.0
243.08083	1.2
244.08865	1.3
245.09668	1.6
246.06775	8.3
247.07550	14.8
248.08336	4.9
249.09163	1.4
250.06296	0.8
251.06908	0.7
251.10719	1.5
255.31235	0.5
258.06747	1.8
259.07553	16.1
260.08182	1.9
261.09109	100.0
262.09814	8.8
263.06992	2.1
263.10449	3.1
264.07822	1.3
265.08542	1.5
272.08386	1.1
273.05731	0.6
273.08945	3.2
274.06247	3.1
275.07022	9.7
276.07803	2.9
277.08606	3.1
278.09360	4.0
279.10117	3.3
280.10678	0.7
289.08597	48.8
290.09308	11.2
291.06839	1.2
291.10126	18.7
292.10870	1.1
293.11612	0.6
295.09894	0.7
295.13239	2.4
303.23029	0.6
306.08884	1.4
307.09601	9.5
309.11288	0.7
317.59692	0.5
321.11206	35.7
322.11493	0.9
323.12805	5.0
469.14923	50.3
470.15433	2.6
501.17551	99.1
502.17590	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64555	0.9
69.41155	1.9
69.41544	2.2
78.04699	1.0
79.05486	1.8
86.09733	1.4
91.05443	1.2
95.05006	1.4
95.15484	0.9
98.22742	1.5
100.07621	3.1
107.04962	5.2
113.22726	1.0
123.04425	2.3
124.53304	1.0
126.30187	0.9
128.06259	1.1
131.04950	2.8
140.04688	3.6
143.04918	1.3
145.06487	1.1
153.05461	1.0
155.07083	4.5
158.03645	3.0
161.05966	1.0
167.07040	34.7
173.05956	6.2
176.04707	1.0
177.05487	3.0
181.04979	1.3
186.03104	3.4
189.05478	1.0
189.07016	1.5
190.07759	1.6
191.06984	2.3
191.08560	1.7
192.07770	1.6
198.03075	1.2
201.05467	67.5
202.05858	1.5
205.06415	2.0
206.07262	1.0
206.82295	0.9
207.07962	1.9
208.08949	0.9
213.05463	27.4
216.04131	1.5
218.07242	3.0
219.08051	4.0
220.04930	1.1
221.05920	2.1
231.06528	18.6
233.05994	1.8
234.06664	2.2
235.07553	5.0
236.08279	3.2
237.09116	0.9
245.05832	1.3
246.06700	5.6
247.07558	6.3
248.08202	1.6
249.05531	4.7
257.05835	2.0
260.04712	2.6
261.05487	1.8
261.09143	1.1
262.06244	2.1
263.06973	5.1
264.07797	6.7
265.08521	2.7
267.10071	1.4
274.06223	6.9
275.07013	8.6
276.07770	1.7
277.04950	7.9
277.08429	2.0
279.10040	1.8
280.07208	1.1
288.04193	2.8
289.05023	2.2
289.08514	1.9
290.70459	0.9
291.06470	3.9
292.07315	12.6
293.07803	1.5
295.09683	3.2
302.05643	2.8
303.06485	25.2
304.07288	4.1
305.04446	6.8
305.07776	1.4
306.08813	2.3
307.06216	1.3
307.09561	7.6
309.07480	2.8
317.08160	2.9
320.06747	21.1
321.07687	1.1
323.09152	2.5
324.09982	2.1
335.09125	53.4
336.09653	2.1
337.07092	2.0
337.10733	2.0
352.09448	2.0
355.11743	11.5
367.11758	100.0
368.12039	3.5
385.12811	58.2
386.13101	1.7
454.18481	1.3
484.19705	5.0
501.19019	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	501.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05049	1.3
67.05541	1.4
70.06571	1.8
79.05457	2.7
85.02901	1.4
86.09705	3.4
87.05630	1.3
91.05489	1.4
91.96149	1.2
95.04952	1.8
95.44613	1.3
100.07635	8.7
107.04942	4.7
108.95622	1.5
115.05431	1.9
115.08698	1.9
119.04941	1.4
123.04436	4.5
124.05250	1.9
131.04910	4.0
140.04675	5.7
142.04317	1.8
145.06468	2.4
153.05431	2.9
155.07022	6.0
157.09630	1.3
158.03633	3.8
167.07031	46.2
170.03615	2.8
173.04697	1.4
173.05992	8.4
177.05530	2.1
181.04916	2.0
186.03110	4.4
189.07056	1.8
191.07022	3.4
191.08548	2.1
192.07832	2.2
200.10298	1.4
201.05470	93.6
202.05902	2.4
203.07069	2.9
207.08113	2.7
213.03539	2.8
213.05458	36.7
213.69360	1.3
218.07228	4.0
219.08087	6.6
220.05310	1.9
221.06018	3.0
231.06487	26.3
234.06709	3.9
235.07561	8.8
236.08296	3.9
245.05916	1.6
246.06734	4.9
247.07501	8.2
248.04671	2.3
248.08310	1.6
249.05516	5.4
249.09047	2.2
250.06340	1.8
251.06808	1.5
252.07863	2.3
257.05939	2.2
257.12485	1.7
260.04617	6.1
260.49146	1.4
261.05426	2.3
261.09320	2.2
262.05994	2.3
263.07004	9.6
264.07736	11.3
265.08621	3.7
267.09973	3.9
274.06201	6.7
275.06949	11.9
276.07806	3.3
277.04935	7.1
277.08548	2.7
279.10144	3.9
280.07239	2.9
281.07935	1.8
288.04099	5.9
289.04947	3.4
289.08542	2.6
291.06683	7.1
291.09604	1.5
292.07239	12.0
293.07977	3.0
295.09683	5.4
302.05777	5.3
303.06503	30.5
304.07211	4.3
305.04495	13.6
305.07822	2.6
307.09662	11.6
308.06683	2.4
317.08197	3.9
319.05893	1.6
320.06778	23.2
321.07568	2.7
323.09070	6.5
324.09985	2.3
327.12158	3.6
334.08536	1.7
335.09146	65.0
335.13251	3.1
337.10480	6.5
339.12305	2.7
349.10602	1.3
352.09354	3.0
355.11761	58.6
367.11774	100.0
368.12109	5.1
385.12808	48.6
442.18497	4.1
454.12720	1.8
454.18643	20.0
463.68082	1.7
469.13818	1.3
471.21277	22.8
484.19925	3.1
501.22766	27.9
502.23352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22129	1.1
63.16163	1.0
69.65354	3.9
70.06554	1.4
72.08136	1.7
82.06565	7.7
84.08133	2.7
98.22800	1.7
101.10770	1.7
102.09175	1.9
119.11800	1.3
145.02792	1.5
145.09714	1.4
177.05453	2.8
181.04880	2.2
202.07799	2.7
203.08530	1.4
204.05795	1.4
205.06667	1.5
206.07271	4.8
218.05400	2.0
218.07277	2.4
219.08096	1.3
229.06407	1.6
232.07057	5.0
233.05821	1.3
234.06750	16.0
244.05136	3.7
245.05933	2.3
246.06712	2.7
247.07573	2.4
248.04408	1.2
249.01935	1.4
257.05978	1.5
258.06522	1.3
259.07245	1.2
260.04749	6.4
261.05533	2.9
261.09024	1.2
262.06262	19.0
263.07123	2.1
265.08838	1.2
272.04721	5.5
273.05368	2.0
274.06329	5.6
275.06964	4.8
276.07758	2.0
277.08612	16.0
282.68246	1.1
287.07025	29.9
289.05008	1.9
290.05734	37.0
291.06308	4.1
303.06503	4.7
304.07306	4.6
305.08047	30.9
306.08606	2.2
307.06030	1.5
315.06436	10.7
318.05182	14.1
319.05920	6.6
333.07553	100.0
334.08099	6.8
339.12332	1.8
355.17090	1.3
365.10193	94.2
366.10315	2.6
367.11716	6.5
383.11298	2.8
393.13144	2.3
436.17667	2.7
454.18610	8.4
465.20132	8.1
483.21268	40.6
501.11276	9.8
501.23148	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.35345	0.7
59.88527	0.7
62.14373	0.8
63.62068	0.7
81.07057	1.1
85.02922	0.9
86.09739	1.4
95.08627	0.8
105.07038	1.5
107.08595	1.8
109.10130	1.2
119.08610	1.0
131.63159	0.6
147.04402	0.8
161.13242	0.8
185.04225	0.9
203.05312	1.7
220.14389	0.9
239.05180	0.8
282.08871	0.8
291.23291	1.5
303.23224	2.2
317.08337	1.2
347.09619	6.1
349.11023	9.2
355.17224	3.6
382.84113	0.7
457.24100	1.6
501.10184	8.7
501.23068	100.0
502.23111	4.0
508.30133	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22898	1.2
51.86236	1.4
53.42989	1.4
55.05500	2.6
55.14414	1.5
57.03436	4.9
57.07079	1.8
59.04989	2.2
67.05495	4.3
67.20007	1.5
69.03426	19.6
69.07061	5.7
69.43304	5.3
69.43703	3.7
70.06590	4.6
71.05004	2.9
72.43356	1.3
73.02927	2.0
79.05500	5.0
81.03399	4.2
81.07055	16.4
83.04988	2.1
84.08150	5.2
85.02905	85.3
86.09706	9.8
87.04475	8.7
88.49384	1.8
91.05467	9.3
93.07053	15.1
95.04983	6.2
95.08601	8.1
97.02892	100.0
97.06525	3.9
98.22717	3.0
98.97601	1.8
99.04449	2.7
105.07034	17.4
105.15120	1.8
107.04934	1.9
107.08609	6.0
109.02871	2.3
109.06541	4.4
109.10150	6.6
109.88447	1.5
111.04441	4.5
113.62589	1.5
115.03922	11.8
117.06992	2.6
119.08591	13.0
120.08113	3.7
121.06483	2.3
121.10146	33.1
123.08066	4.3
123.11702	62.5
124.12035	1.6
125.06001	25.0
125.15275	1.8
127.03933	6.6
129.10287	2.9
131.08543	5.8
133.04944	13.2
133.06435	3.1
133.10141	3.7
137.06001	3.4
139.03876	2.6
139.07542	5.8
141.06906	1.9
143.08635	2.1
144.09309	1.7
145.04987	3.5
145.10127	11.0
147.04456	1.6
147.08075	3.7
147.11688	18.9
149.05989	3.9
149.09615	43.1
151.07562	5.4
156.09393	5.1
159.08022	2.0
159.11681	1.8
161.09586	2.5
161.13370	2.2
163.07512	2.1
163.11122	1.7
167.10677	63.8
168.09366	1.5
171.11649	4.4
173.13261	4.7
174.10448	2.3
181.04950	2.3
187.07561	4.7
189.11295	0.9
189.12744	41.4
201.12689	9.5
207.13797	69.3
213.12674	2.3
217.12209	3.6
219.13794	13.1
225.14809	15.0
231.13864	3.7
241.07039	2.4
247.09619	4.9
285.14810	2.0
303.15994	7.5
321.16928	15.3
333.07632	2.1
339.17844	7.3
351.18124	8.0
369.19037	4.4
431.05844	2.0
441.12439	2.5
457.20151	1.9
483.22208	2.4
501.16458	2.9
501.23947	43.0
502.22717	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	501.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84929	3.2
53.32231	3.3
71.46495	4.4
78.01303	3.9
81.07089	4.4
82.00319	4.9
85.02926	4.3
87.03049	3.9
92.55990	3.7
96.01814	3.6
105.01883	6.4
119.08588	4.9
119.56384	4.3
130.82013	4.0
140.33376	3.9
145.10146	6.7
165.08899	6.3
166.09683	13.4
193.08398	4.7
195.09967	13.2
195.23094	3.6
203.10320	6.6
215.39030	4.1
237.31271	4.6
263.12546	13.5
264.13312	40.9
331.18607	6.9
332.19577	100.0
333.20108	6.6
381.85526	3.9
501.24463	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65646	2.9
61.30276	3.3
65.44404	2.9
70.37866	9.6
81.07067	4.8
82.00312	4.2
87.85294	3.0
96.01878	6.2
100.11404	3.4
113.37013	3.2
119.39851	3.1
120.59094	2.8
122.03436	3.3
135.04225	3.3
153.18430	3.1
165.08879	4.5
166.09645	9.9
193.08258	3.6
194.08981	4.1
195.09993	9.3
195.79059	3.8
203.10495	7.9
224.10146	4.5
263.12531	10.8
264.13318	37.6
289.14154	3.7
303.15509	5.5
331.18753	7.5
332.15887	6.1
332.19620	100.0
333.20145	5.2
501.24255	27.9
501.31104	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	501.3555
Annotation	Morinin K
Peak:m/z	Relative Intensity
51.01341	0.3
55.05527	0.3
63.27156	0.3
67.05497	0.7
69.07068	0.3
69.30067	1.6
79.05480	0.9
81.07068	0.6
91.05464	0.8
93.07079	0.4
95.08625	0.3
97.99097	0.3
105.07066	0.3
133.10139	3.4
138.58287	0.3
149.09560	0.3
162.40640	0.3
167.74648	0.3
171.10219	0.5
174.63329	0.2
189.11275	0.8
203.54880	0.3
323.45343	0.3
501.35529	100.0
502.35818	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	501.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01869	3.8
55.05515	54.7
57.03442	34.5
57.03726	1.7
57.07081	52.5
62.08932	1.1
65.03948	1.9
67.05508	66.1
69.03433	1.8
69.07072	80.9
69.79314	2.1
70.07440	1.0
71.04996	4.0
71.08636	35.2
73.06554	2.9
75.04487	9.8
79.05500	26.7
81.07060	77.5
83.04980	4.9
83.08624	64.6
85.06545	3.8
85.10178	18.8
89.06027	1.1
91.05468	7.5
93.07048	36.7
95.04980	1.7
95.08612	81.7
97.06531	17.9
97.07109	1.5
97.10175	40.0
99.08092	2.9
99.11763	2.0
101.06039	2.5
105.07059	2.9
107.08596	24.5
109.10162	40.9
110.33624	0.8
111.08102	10.8
111.11724	13.9
113.05975	4.4
115.07582	3.4
119.08607	2.1
121.10147	34.4
123.11713	17.8
125.09631	8.9
125.13287	3.0
129.09116	3.0
130.79779	1.1
131.07022	7.4
131.08585	1.9
133.10152	2.3
135.11700	29.6
136.12134	1.0
137.13258	8.5
139.11200	8.3
141.28781	1.0
143.10706	3.1
145.10117	1.2
147.11650	1.4
149.13266	15.3
151.11198	1.6
151.14848	2.6
153.12755	8.5
157.12270	2.5
163.14836	8.0
164.92969	1.7
167.14294	6.4
171.13802	2.8
177.16356	5.7
177.74059	0.9
181.15912	4.0
185.15442	2.5
188.11844	1.1
191.17986	2.7
195.00420	1.4
195.17409	4.3
199.16940	2.6
203.17972	1.4
205.19562	3.4
207.21063	1.1
209.19034	3.2
213.18521	2.8
219.21025	1.4
221.19110	1.6
223.20665	2.9
227.20151	1.8
235.20758	1.3
237.22076	1.9
241.21655	1.9
251.23694	1.4
266.27505	0.9
282.00711	0.9
282.57852	0.9
289.28897	6.8
295.19321	1.0
299.27316	2.5
307.29965	16.7
313.27423	1.8
317.28360	13.5
325.30893	2.0
335.29422	34.7
336.29861	1.6
350.36185	1.1
353.30469	5.4
371.31577	100.0
372.32132	4.2
391.32343	1.2
409.33136	57.2
410.33612	1.8
427.34192	81.9
428.34683	3.2
483.36838	39.8
484.37057	2.1
501.37897	81.9
502.19571	1.1
502.38260	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	501.3917
Annotation	3beta-Acetoxy-11alpha-hydroperoxy-12-ursene
Peak:m/z	Relative Intensity
67.05486	0.5
69.07061	0.5
69.29785	0.6
69.30196	1.1
81.07044	0.4
113.21049	0.3
162.97688	0.4
194.12784	0.4
200.94601	0.4
324.18784	0.3
501.39142	100.0
502.39511	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	502.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.3
57.03423	0.8
57.07074	1.1
60.08158	4.1
67.05505	2.6
69.07066	2.0
71.07362	3.5
79.05476	2.1
81.07064	2.4
83.08632	1.9
86.09704	21.9
88.03996	1.8
93.07053	1.9
95.08596	2.0
97.06534	2.5
104.10741	100.0
107.08578	2.1
109.10175	0.9
121.10139	2.6
123.11700	1.0
129.05443	0.9
135.11719	1.8
141.71088	0.9
146.98175	11.4
176.99257	0.8
179.14279	1.0
251.21718	0.8
261.96036	0.7
284.82373	0.9
297.24274	1.7
338.18060	0.7
338.96448	0.8
349.27429	1.5
382.22171	0.7
386.01956	0.8
443.21695	47.1
444.21927	2.3
488.85947	0.7
502.28937	22.3
503.29318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.1
55.05286	1.3
55.05518	10.9
56.05030	2.1
57.03440	8.1
57.07090	5.9
67.05516	13.0
69.07074	14.1
71.07382	9.4
71.08627	2.5
79.05504	7.6
81.07064	14.4
83.08627	12.6
85.06535	1.2
86.09709	50.4
89.09286	1.1
93.07048	10.4
95.08635	8.8
97.06544	10.4
97.10170	5.6
102.51852	1.1
104.10752	3.2
107.08604	9.0
109.10197	5.4
109.36535	1.2
111.08101	2.0
121.10155	15.5
123.11716	3.5
129.05502	6.5
131.50563	1.1
133.10208	1.1
134.68282	1.3
135.11693	9.5
139.11153	1.3
146.98184	69.9
149.13240	2.2
164.99213	1.4
174.71721	1.0
205.19598	3.4
217.87120	1.1
260.34039	1.1
297.24268	18.6
319.22495	4.0
333.31979	1.3
338.96750	1.4
377.98853	1.3
420.96579	1.4
443.21713	100.0
444.22226	1.4
496.55499	1.1
502.29022	55.8
503.29480	2.6
527.38147	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.1
56.05024	0.8
57.05820	0.5
67.05529	0.2
69.07071	0.2
70.06586	2.6
72.08157	100.0
73.08498	0.5
73.13876	0.2
81.07065	0.3
88.03996	0.2
127.40019	0.2
143.75800	0.1
162.40192	0.1
167.70963	0.2
172.13422	0.2
192.03958	0.5
197.72832	0.1
276.92679	0.2
311.25644	0.2
339.19229	0.2
502.29025	9.9
503.29623	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54615	3.3
53.80882	4.3
55.01862	7.5
55.05502	15.2
61.02912	9.1
63.27692	4.1
65.91594	3.8
67.05505	33.6
69.07072	9.6
74.67342	3.7
77.29093	5.2
79.05489	41.3
81.07054	34.8
83.08621	6.5
85.02888	6.2
91.05478	47.9
93.07037	57.1
94.33633	3.7
95.04980	5.7
95.08596	34.2
97.06491	4.4
104.99256	4.7
105.07034	57.0
107.08609	35.9
109.10150	18.2
115.05450	4.1
117.06997	15.4
119.08586	42.4
121.06502	6.7
121.10142	26.8
123.08006	4.6
123.11739	4.1
129.05432	5.7
129.06979	21.5
131.08565	28.5
133.10118	60.0
135.08061	14.5
135.11688	14.8
136.19801	4.4
137.09607	4.7
143.08505	24.4
145.10109	22.5
147.08037	21.3
147.11671	60.9
149.09602	8.2
149.13223	6.7
155.05991	4.2
157.10158	22.8
159.11670	10.1
161.09549	9.0
161.13268	5.6
163.11215	7.6
171.11679	31.2
173.13109	6.0
175.11165	8.6
185.13347	6.9
187.14856	17.0
189.12756	6.9
189.16370	54.6
203.14148	5.2
203.17973	25.4
213.16380	77.4
213.18411	4.4
231.17413	100.0
249.18587	20.5
305.11877	4.3
305.21048	12.2
323.22211	9.4
344.16022	5.4
366.09119	11.2
384.09644	5.4
420.96902	9.9
467.26297	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	502.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.8
55.01871	6.4
55.05519	29.0
56.05029	6.1
57.03442	3.9
57.07066	7.4
59.05013	4.4
65.03938	3.2
66.89645	3.6
67.05511	26.9
68.22910	3.7
69.03416	11.6
69.07066	61.7
69.16161	19.9
71.05003	7.3
79.05509	20.7
81.03432	3.8
81.06623	5.1
81.07056	57.3
83.04966	6.8
83.08614	7.9
84.04018	7.2
84.04507	100.0
85.02907	11.9
91.05477	19.8
93.06520	6.1
93.07048	63.6
95.04959	12.1
95.08613	57.7
97.02866	8.1
97.06526	15.1
97.10179	36.5
99.04441	3.4
100.11267	6.2
102.05543	65.8
104.99252	7.4
105.01863	5.5
105.07040	25.7
107.08586	40.0
109.06501	11.8
109.10162	32.5
111.08109	6.3
111.11707	13.6
117.06985	5.9
119.08577	24.7
121.06550	6.5
121.10142	51.5
123.08028	8.7
123.11723	16.2
125.09581	6.1
127.03888	7.1
129.06992	5.0
130.05022	44.3
131.08580	11.9
133.10130	15.5
135.08076	6.0
135.11685	26.7
137.09593	11.0
139.11186	48.8
143.08536	4.5
145.10129	25.9
147.08044	5.0
147.11668	7.9
148.06050	57.5
149.09599	9.6
151.11159	11.8
153.12723	5.4
157.10205	5.3
157.12233	22.3
159.11676	12.7
161.09639	6.4
161.13243	6.2
163.11151	13.0
167.10654	8.0
171.11639	4.2
173.13213	5.4
175.11263	6.9
179.10680	5.8
181.12279	7.8
201.16415	12.1
203.12804	6.0
219.13945	3.3
219.17448	8.9
240.16063	3.8
244.09679	3.5
255.21089	3.6
268.15436	14.2
273.22128	7.8
283.20471	4.8
286.16595	8.0
291.23154	10.1
301.21573	28.0
307.22510	5.3
319.22668	37.6
337.24216	3.7
402.26135	5.0
420.27362	5.2
436.26706	3.5
438.28220	5.2
448.26877	7.1
466.27872	9.2
502.17474	9.5
502.34671	17.2
504.21515	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	502.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	42.0
57.07083	16.2
67.05508	55.2
68.82796	11.0
69.03439	22.8
69.07072	46.3
69.33443	36.2
69.33863	25.9
69.65308	9.9
71.04994	17.2
79.05489	30.5
81.07063	100.0
83.04993	19.1
83.08621	15.5
84.04517	55.5
85.02917	48.2
85.17094	13.8
87.00825	11.3
91.05490	37.8
93.07055	92.7
95.04951	18.7
95.08627	68.9
95.67874	11.3
97.02897	15.4
97.06528	26.4
97.10198	25.9
98.22723	24.9
99.89023	12.0
100.11273	25.1
102.05558	32.4
104.99314	15.9
105.01881	37.1
105.07047	64.9
107.08620	65.0
109.10172	45.1
111.39685	11.7
117.07018	16.6
119.08593	66.8
119.61216	13.0
121.06447	12.5
121.10152	49.5
123.08110	14.4
123.11734	38.7
125.09612	29.9
127.03962	18.1
130.05025	28.3
131.08600	32.6
131.68489	10.7
133.10132	57.0
135.08047	10.8
135.11699	34.2
145.05008	25.4
145.10153	49.5
147.11707	29.0
148.06079	47.4
149.09694	22.4
149.13330	31.8
159.11713	45.7
161.13286	19.3
163.11099	13.2
173.13222	15.1
182.15405	17.5
195.13852	17.2
201.16431	50.1
210.14908	31.1
219.17459	55.7
220.62369	12.2
231.04985	15.2
262.14105	17.7
269.22659	18.7
291.23303	18.8
301.21634	52.3
319.22656	31.2
420.27347	20.8
422.88171	13.1
436.26495	15.4
448.26855	20.1
460.11780	13.0
466.27802	23.5
502.34497	14.8
502.87601	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.9
57.03426	8.6
57.07078	38.2
59.87541	7.4
63.47029	6.9
67.05494	14.7
69.03429	7.0
69.07070	11.7
69.27141	44.0
71.08618	21.0
79.05477	11.9
81.07053	22.6
83.08630	15.6
85.06507	11.4
85.10190	7.3
89.06036	19.7
91.05481	38.2
95.08627	11.4
105.07014	7.7
105.31979	7.8
107.08580	8.1
109.10161	6.7
111.08088	11.6
121.10117	6.5
133.10121	100.0
149.09604	38.0
153.09091	11.7
156.88142	7.0
164.93034	10.0
171.10162	21.9
189.11227	17.8
195.00301	66.9
200.20129	8.5
253.68805	7.2
313.27414	74.6
459.24789	21.6
484.96902	8.2
502.19998	17.4
502.28818	22.1
502.36578	15.0
509.38449	8.9
522.25568	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	502.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36870	3.0
55.05513	16.0
57.03440	9.2
57.07066	5.1
61.02928	8.3
65.03932	4.2
67.05511	77.2
67.21949	3.1
69.07076	15.8
73.02923	31.4
79.05499	42.9
81.07059	88.3
83.08640	9.4
91.05488	25.3
93.07053	45.6
95.04983	6.8
95.08604	57.7
105.07030	21.5
107.08593	36.2
109.10152	35.5
117.07025	8.6
119.08601	12.7
121.10146	36.9
123.11710	20.9
123.77673	3.8
131.08539	16.6
133.10141	14.5
135.11679	25.6
137.13304	7.1
145.10164	13.9
147.11716	14.3
149.13271	19.3
159.11717	14.4
161.13307	16.3
163.14832	15.1
173.13258	18.6
177.16478	5.2
179.14333	4.6
180.79187	3.4
184.93065	3.4
187.14824	10.1
192.15199	4.0
201.16289	3.3
202.94092	9.5
233.22601	4.3
243.21130	34.1
261.22141	100.0
262.22583	5.8
334.15182	4.9
335.25754	33.1
353.26828	34.9
357.23831	3.6
502.17313	7.8
502.33960	3.6
504.00064	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	502.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.2
61.02932	3.4
67.05504	5.3
69.03426	11.4
69.07050	8.7
69.26814	17.6
73.02895	2.9
79.05509	5.7
81.03432	5.6
81.07071	10.2
83.08611	4.5
85.02899	39.3
85.47382	2.9
90.25324	3.7
91.05441	3.1
93.07040	8.4
95.08616	16.4
97.02901	13.4
100.16033	2.9
105.07037	10.1
107.08599	9.4
109.02843	6.2
109.10146	14.2
119.08597	9.1
121.10140	10.2
123.08171	3.2
123.11692	3.8
126.41331	2.9
127.03927	9.5
131.08522	9.7
133.10117	7.6
135.11700	6.8
137.13318	3.0
143.08549	3.9
145.04951	14.4
145.10110	14.2
147.11630	4.7
149.13297	6.9
157.10066	3.5
159.11670	10.1
161.13179	5.5
163.06024	4.8
163.14835	7.0
173.13254	6.3
175.14850	3.2
185.13246	4.9
189.16324	4.2
191.14293	3.5
193.75459	3.2
198.02444	3.3
198.86650	3.2
199.14798	7.2
201.16406	8.7
213.16382	4.9
219.17384	8.0
227.17923	6.3
259.24319	3.7
269.22653	100.0
275.23459	3.9
287.23703	68.5
287.26633	5.5
305.25015	4.2
420.96652	5.1
431.27878	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	502.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	3.3
57.03433	8.3
57.07079	14.8
59.04995	1.3
67.05507	54.2
69.07072	3.4
70.96888	1.2
71.05009	1.1
71.08636	12.4
79.05467	1.2
81.07058	12.0
83.08618	8.0
85.06534	1.4
85.10180	6.7
86.39491	1.0
91.05487	3.9
95.04871	1.1
95.08614	10.6
97.10155	2.1
100.82849	1.2
103.07545	1.5
109.10162	48.7
111.08027	1.3
119.08582	3.2
123.11748	1.3
137.09642	1.8
155.10672	4.7
173.11743	19.1
178.65125	1.1
212.08972	1.1
224.78987	1.0
227.92114	1.2
229.14345	100.0
230.14745	2.1
239.23717	2.3
312.83572	1.3
313.27353	96.3
314.27658	3.0
467.37332	60.3
468.37573	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	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.5
54.50090	1.2
57.03437	3.0
58.08169	1.2
61.02929	4.5
69.03436	14.0
69.09848	8.7
70.06595	3.3
71.04968	1.7
73.02913	1.9
77.03931	1.4
79.05502	2.5
81.03424	5.4
85.02908	28.6
86.09698	1.8
87.04504	1.7
91.03981	1.8
91.05479	3.4
94.04184	2.7
95.04945	1.4
97.02889	14.4
103.03961	8.3
103.05465	42.3
104.99281	1.7
105.07034	8.8
107.04942	2.0
109.02879	2.6
115.05466	3.9
118.15788	1.2
119.04969	2.3
119.08598	1.4
122.03664	5.8
127.03947	6.4
128.06244	1.4
129.07002	1.5
131.04932	80.7
133.06468	7.1
137.05975	88.2
138.06348	1.6
143.06126	1.3
145.04941	3.8
145.06493	1.5
147.08084	3.2
149.06017	1.6
151.07596	2.2
151.34914	1.2
159.08063	2.2
161.05980	23.0
163.07544	100.0
164.07823	1.8
172.05199	4.4
175.07552	31.6
187.07541	22.7
189.09142	2.1
191.08568	3.9
199.07658	3.1
201.09140	3.8
202.07907	2.2
203.08629	1.4
217.08566	8.2
219.08055	5.6
231.08014	3.6
247.07576	3.6
248.08289	1.9
251.10716	7.6
259.07416	1.4
279.10147	7.5
291.10181	5.9
296.10559	2.0
297.11072	1.4
308.10251	1.5
311.12775	22.9
323.12845	11.6
325.14346	2.0
341.13889	9.5
420.97009	3.2
503.21207	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	503.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
53.23710	0.3
54.02177	0.4
55.01866	1.1
57.03424	1.6
61.02922	2.2
65.03925	0.7
66.04725	0.4
69.03427	6.8
69.53059	0.7
71.04991	0.9
73.02913	1.0
79.05510	1.9
81.03421	2.9
81.07049	1.4
84.04514	0.5
85.02906	16.5
87.04451	0.6
91.03951	0.7
91.05472	3.1
94.04169	4.1
95.04974	0.6
97.02891	6.0
99.04459	0.9
103.05472	4.0
104.06260	0.4
104.99225	0.4
105.07049	3.2
107.04944	1.4
107.08598	0.5
109.02864	1.8
109.06516	2.6
115.05444	3.0
117.07024	1.3
119.08552	2.7
121.06514	0.6
122.03648	8.5
127.03938	3.0
128.06213	2.0
129.07010	1.7
131.04913	4.2
132.05750	2.4
133.06502	2.6
137.05978	100.0
138.06313	1.4
141.07033	1.3
143.04909	0.4
143.08585	0.5
145.04961	1.8
145.06488	0.7
146.03639	0.8
147.04407	0.6
147.08052	4.4
149.05989	1.2
151.03995	0.4
151.07593	0.5
155.04922	0.8
156.05714	0.9
157.06482	0.6
159.08060	1.4
160.05174	1.9
161.05980	10.6
163.07539	9.1
165.07014	0.4
167.07045	0.5
169.06503	1.0
171.08070	1.2
172.05247	0.5
173.13271	0.5
175.07544	41.7
176.07964	0.7
177.09044	0.7
179.07056	0.6
184.05235	1.7
186.06700	0.6
187.07538	6.4
189.07108	0.7
189.09111	0.8
190.07767	1.4
191.08557	5.7
192.09354	0.5
199.07542	11.3
199.95251	0.4
201.05397	0.5
201.09134	0.8
202.07799	3.8
203.08534	6.2
204.09343	0.8
205.06541	0.7
207.08214	0.5
207.65215	0.4
208.08833	0.6
209.09550	0.4
217.08530	0.6
218.07231	1.8
219.08040	7.8
220.08777	2.4
221.06195	0.5
221.09641	0.8
231.08046	8.2
232.08827	1.8
234.06720	0.4
235.07587	0.7
235.11243	0.8
236.08357	1.3
237.09093	0.7
246.06770	0.4
247.07556	4.4
248.08286	3.3
249.08981	1.0
250.09874	0.4
251.10672	8.8
253.08380	0.5
259.07556	5.8
260.08417	2.6
261.09106	1.1
262.09869	0.4
263.10709	4.4
264.07864	1.3
264.10828	0.4
265.08585	1.0
268.11023	0.7
273.09091	0.4
275.07031	0.7
276.07889	2.7
277.08548	3.2
279.10162	9.2
280.10797	0.9
281.08112	0.7
291.10138	11.3
292.10843	3.3
293.08090	1.4
295.13327	1.6
296.10455	1.2
297.11227	0.4
308.10419	1.4
309.11099	0.5
311.12756	21.8
312.13068	0.9
315.10147	0.5
323.12772	19.1
324.13104	1.1
325.14310	1.6
335.12656	0.4
367.11728	0.4
398.77667	0.4
459.21841	0.8
503.21219	2.5
503.32071	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	503.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98192	0.7
57.61883	0.7
71.33736	0.8
85.13763	0.7
91.05475	0.8
115.05428	1.2
117.05772	1.1
118.06535	17.0
122.62031	0.7
126.93378	0.7
130.06532	1.7
132.08075	6.0
142.06483	2.2
143.07315	3.0
144.08098	10.7
146.06006	62.7
159.09175	7.4
160.07562	1.1
169.38432	0.9
170.06071	3.5
188.07069	100.0
189.07298	1.6
205.09726	43.5
206.10051	1.1
217.74393	0.7
399.28418	0.8
529.48639	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19841	2.4
55.56770	2.1
69.58411	5.3
69.58801	6.6
79.05493	4.0
84.08149	10.8
85.02907	2.6
86.09714	12.5
90.02228	2.2
91.05489	6.4
94.94292	2.1
102.09197	8.1
107.04974	8.4
112.07639	2.7
115.05511	3.2
117.03420	9.8
119.04973	4.7
119.11855	10.5
123.04408	2.8
124.05288	3.4
129.10298	6.3
131.04956	5.5
137.05994	7.9
140.04700	6.1
143.04935	2.3
145.02852	21.8
145.06517	4.3
147.04485	5.9
149.06061	7.2
151.04005	3.9
153.05540	6.6
155.07124	3.9
158.03674	3.5
161.06039	2.5
165.05550	4.2
167.07031	70.4
173.06047	8.5
175.03952	4.1
177.05478	32.1
179.07063	2.7
180.07814	3.7
181.04939	47.2
181.06393	3.2
186.03195	5.5
187.07617	3.1
189.06964	2.7
192.07822	2.6
201.05453	95.7
203.07074	3.8
207.06572	5.4
207.08260	4.1
208.07317	11.8
213.05461	38.4
218.07379	5.5
219.06383	3.5
219.08215	6.8
221.06097	5.3
225.07645	8.9
226.08382	6.1
231.06451	21.0
234.06775	3.8
235.07594	13.9
246.06880	5.8
247.07501	11.0
248.08626	3.6
249.05611	8.1
252.07825	3.6
257.06125	3.3
260.04767	7.1
261.09070	2.6
262.06360	4.3
263.06973	15.3
264.07782	13.7
265.08664	5.6
267.10211	5.6
274.06454	9.2
275.07083	15.1
276.07928	6.7
277.05133	9.3
278.05734	2.4
279.06430	3.1
279.10327	5.2
280.07318	3.9
288.04251	5.1
289.05057	4.2
291.06671	6.2
292.07349	18.4
295.09766	9.6
302.05872	3.9
303.06467	31.5
304.07291	6.6
305.04510	11.6
307.09625	11.0
317.08276	3.9
320.06778	33.0
321.07376	3.9
322.08444	3.7
323.09302	9.2
324.09549	4.3
334.08295	3.2
335.09134	78.6
335.13232	4.4
337.10641	11.0
352.09653	4.7
355.11710	39.5
355.15530	2.6
357.13370	5.4
367.11758	100.0
368.12311	4.8
385.12750	21.2
401.12082	5.8
443.72406	2.4
455.21573	17.4
456.20804	5.0
473.22803	93.8
474.23151	2.8
485.22809	39.9
503.24121	95.5
504.24930	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	503.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
73.06544	1.3
79.05494	2.5
84.04510	2.2
85.02911	1.1
86.09706	9.3
87.04467	10.0
89.06030	100.0
94.37996	1.0
102.05557	2.2
107.04919	5.2
107.07073	2.6
108.09049	0.9
117.03380	1.4
123.04433	2.6
124.05270	1.1
131.04951	2.2
131.07036	2.4
132.05696	2.1
132.10107	1.0
133.08607	61.8
137.05984	3.9
140.04686	3.5
145.02847	5.6
145.06508	2.4
145.09671	2.1
149.05925	1.3
152.04745	1.1
153.05508	3.0
155.07050	4.1
158.03696	2.4
161.06003	1.2
167.05641	1.8
167.07028	39.1
170.03682	1.1
173.05963	5.7
174.67805	1.2
175.03868	1.1
175.09679	1.3
177.05470	7.1
177.11221	12.9
180.07796	1.1
181.04921	6.9
186.03168	2.2
187.07532	1.1
189.06924	1.3
191.07057	3.9
192.07776	4.1
198.03137	0.9
201.05467	62.1
202.05878	1.2
205.06436	1.7
206.07327	1.3
207.08101	1.3
208.07274	2.3
211.09584	1.7
213.05452	25.2
218.07251	2.2
219.08095	3.7
220.05251	1.3
221.05971	2.9
221.13890	2.0
225.07539	1.5
231.06477	16.2
231.16135	1.1
233.06004	1.6
234.06683	1.3
235.07518	2.9
236.08356	3.1
245.18507	2.3
246.06767	4.0
247.07523	4.6
248.04710	1.6
249.05490	4.0
257.06131	1.4
259.09308	1.2
260.04651	3.3
261.05545	1.6
263.06985	4.8
264.07852	7.3
265.08569	2.4
267.10199	1.1
274.06345	5.0
275.06924	6.4
276.07834	1.9
277.05020	4.0
277.08627	1.7
278.09555	1.1
279.10187	2.1
280.07419	1.2
281.08011	1.9
288.04172	2.4
289.04913	2.4
289.08438	1.3
291.06497	2.6
292.07269	13.3
294.05136	1.1
295.09711	3.0
302.05719	3.9
303.06509	23.6
303.09973	1.8
304.07242	4.0
305.04614	7.8
306.08801	1.4
307.09674	6.5
308.06982	1.1
309.07651	1.9
317.08041	2.8
320.06769	20.0
321.07358	2.0
323.09088	2.9
324.09891	1.2
335.09122	47.2
336.09769	1.6
337.10483	2.8
341.15613	1.7
349.05170	1.3
352.09436	2.0
355.11786	10.8
367.11768	89.2
368.12222	2.6
385.12796	24.7
401.12445	2.7
426.19061	1.4
428.00470	1.2
448.16165	1.0
455.21948	1.4
456.20309	2.5
473.22998	3.4
485.23035	18.7
503.20184	25.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2492
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
57.03447	1.9
59.13560	1.7
67.05508	6.1
69.03447	10.7
69.07076	2.1
70.06583	2.3
71.04987	7.6
71.26604	2.0
79.05515	3.1
81.07048	3.7
83.08624	2.8
85.02916	10.5
85.06543	3.4
87.04456	4.7
91.05482	2.3
91.61993	2.1
93.07034	5.8
95.04978	3.4
95.08608	6.4
97.02892	8.5
105.07047	5.0
107.08607	9.0
109.06521	100.0
109.10154	23.7
111.08064	4.4
115.03938	7.3
119.08580	2.8
121.10165	5.5
123.08054	10.7
129.42827	1.9
131.08575	13.2
133.04979	7.4
133.10143	5.5
135.08049	39.4
145.02765	2.1
145.10158	3.2
147.11688	3.4
149.09712	2.3
149.13327	2.6
153.09111	4.4
158.10905	2.9
167.07031	2.3
173.13257	14.4
177.05511	2.1
191.12578	4.0
191.14310	70.5
209.15363	58.7
211.26813	1.8
277.20648	1.9
284.72528	2.0
338.96780	3.4
339.08624	3.0
393.28452	2.2
397.73730	2.2
459.21869	3.6
503.19577	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	503.249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.7
57.03426	2.7
57.07080	1.6
61.02919	2.5
67.05489	4.9
69.03431	6.2
69.33395	5.4
70.06587	1.8
71.04980	4.6
73.02916	5.9
79.05483	3.4
81.03404	2.9
81.07048	2.9
85.02908	14.0
85.06551	3.1
86.09705	4.1
90.79737	1.3
91.05487	4.8
91.26295	1.1
93.07014	3.6
95.04963	4.0
95.08596	4.9
97.02917	7.8
97.06522	1.3
98.22694	2.6
105.07019	6.0
107.08592	8.3
109.06519	100.0
109.10151	21.7
110.06876	1.3
115.03944	2.4
117.07022	1.9
119.08564	2.7
121.10151	3.8
123.08070	9.3
127.03950	3.9
131.08577	8.9
133.04918	2.2
133.10144	12.9
135.08051	33.1
137.09566	4.1
145.04984	3.9
145.10085	1.6
147.11690	2.0
149.09595	2.2
149.13219	1.9
153.09096	4.2
158.10912	1.8
173.13245	14.3
191.14310	62.2
209.15361	60.1
299.06393	1.3
316.56433	1.5
367.11685	2.8
390.19565	1.4
503.18619	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	504.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43624	0.2
54.29109	0.2
56.58945	0.2
69.03416	0.2
71.38209	0.2
81.03395	0.3
85.02889	0.4
86.09673	0.7
89.03902	0.2
91.05486	0.2
92.99711	0.2
106.06526	0.7
116.04961	0.8
119.04907	0.6
120.04401	0.2
121.06568	0.4
127.03862	0.3
134.05174	0.2
134.06033	2.1
135.04413	1.3
137.05928	0.7
138.09052	0.3
146.05969	0.4
162.05516	5.7
173.09221	0.2
179.03345	0.4
187.05951	0.2
192.11346	0.2
194.07288	0.2
202.60962	0.2
229.08649	0.3
239.07027	0.2
241.07309	1.3
256.09680	100.0
257.09952	2.3
292.49747	0.2
341.08569	0.3
460.16040	7.3
461.16565	0.3
499.07141	0.2
504.14984	17.8
505.15027	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01876	1.4
55.42653	0.5
57.03433	3.9
58.91366	0.5
61.02924	8.9
68.41727	0.5
69.03428	14.1
69.45523	0.7
69.45862	2.3
71.04973	1.4
73.02914	3.2
81.03419	5.4
85.02904	100.0
87.04472	1.8
91.03961	6.0
96.14454	0.5
97.02891	24.2
98.09063	0.5
98.09696	0.6
99.04475	3.6
101.02363	0.8
103.03924	0.7
109.02868	8.1
115.03982	1.1
127.03916	26.6
145.04956	58.4
146.05293	0.7
163.06015	27.9
181.06961	0.7
189.93274	0.5
243.29370	0.7
271.08057	1.0
289.09183	2.2
325.11316	11.0
458.21646	0.6
505.23764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65387	0.9
59.04999	9.3
69.03426	2.1
69.88039	2.0
85.02904	3.3
86.09725	2.2
86.17452	0.9
87.04472	11.6
89.06034	11.3
97.02893	1.0
98.22835	1.7
98.42316	0.9
99.04547	1.0
103.03941	100.0
103.05453	3.5
103.07581	9.4
119.07055	1.1
121.08578	1.2
123.30285	0.9
125.85435	0.9
131.04919	4.6
131.07054	2.6
132.05254	2.6
133.08632	7.5
137.06010	5.6
138.06287	2.3
147.06516	10.0
147.10144	2.7
161.05994	1.7
162.06348	1.2
163.07506	4.9
163.09659	2.3
164.07915	3.8
164.94170	0.9
175.07423	1.1
175.09650	1.2
177.05482	1.1
177.11206	1.4
187.07561	2.2
191.09087	6.2
207.12300	3.6
215.68289	0.9
230.79050	1.0
235.11813	8.0
279.14352	2.3
312.13223	1.9
323.16885	1.4
383.22726	1.5
385.20377	1.2
441.23315	3.2
487.23605	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	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.0
55.01906	4.1
55.05510	12.1
57.03432	4.7
57.07053	4.1
62.77163	3.8
67.05511	36.0
69.03436	9.1
69.07073	33.1
69.29988	3.7
70.58257	6.8
79.05495	16.4
81.03423	11.9
81.07059	76.9
82.48608	3.4
82.95992	3.5
83.08627	19.5
85.02909	36.0
87.00842	10.1
91.05478	25.5
93.07053	72.5
95.04988	7.5
95.08609	76.1
97.02904	15.2
97.10191	6.6
105.01862	14.1
105.07039	61.0
105.14161	4.3
107.08598	65.2
109.02877	10.8
109.10168	100.0
109.10892	7.4
111.08136	6.8
117.06990	5.1
119.08582	56.9
121.10144	38.5
123.11705	17.1
125.09641	4.3
127.03931	17.9
131.08536	10.3
133.10136	40.6
135.11714	46.3
139.11185	4.6
145.04962	10.6
145.10126	14.1
147.11699	63.6
148.56961	4.1
149.13289	16.6
155.52571	3.6
159.11725	10.0
161.13252	39.4
163.14830	23.8
165.12851	6.9
169.10197	4.3
173.13319	5.7
175.14874	18.5
177.16441	7.8
179.14310	7.9
185.75616	3.7
189.16426	9.9
191.18073	4.8
201.16435	5.3
203.17990	87.7
207.17564	4.5
215.18056	4.6
221.19124	12.5
231.05072	5.3
259.24252	6.7
271.24133	25.6
273.13754	4.1
289.25140	23.6
315.97220	5.0
418.07727	5.4
432.78934	3.9
470.54926	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	504.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	11.4
55.01877	20.3
55.05518	21.8
60.24441	10.5
67.05518	27.4
69.03422	48.4
69.07083	19.4
79.05492	41.6
81.03432	26.3
81.07063	94.6
85.02914	76.2
87.00828	27.0
91.05476	51.8
93.07037	56.3
95.08612	70.3
97.02898	35.6
97.10162	14.1
99.04483	17.8
105.01883	25.7
105.07026	53.9
107.08612	87.5
109.02882	33.9
109.06686	8.5
109.10150	72.7
112.67268	9.0
119.08611	49.9
121.10187	21.9
123.11681	10.0
127.03893	58.1
133.10141	33.6
135.11693	17.1
145.04970	23.8
145.10158	11.3
147.11713	58.0
149.13249	11.9
159.02893	25.6
161.13307	21.6
203.17914	100.0
221.18970	11.8
289.17981	11.1
363.21738	66.3
363.83029	10.0
534.87140	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	504.281
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46138	3.4
53.03958	5.5
55.01882	5.1
55.05516	16.7
58.80456	3.3
59.04996	5.0
61.43920	3.8
67.05517	24.1
69.03423	4.4
69.07072	14.7
69.45413	8.6
69.45805	6.2
74.60982	3.6
79.05492	16.6
80.47543	3.3
81.07059	48.3
83.04962	3.6
83.08617	8.7
86.13164	3.7
91.05476	27.2
93.07048	100.0
95.04993	10.1
95.08627	42.9
97.10163	4.7
105.07040	43.1
107.08596	53.4
109.10165	61.2
111.08081	31.5
119.08595	34.0
120.11388	3.4
121.06436	4.3
121.10174	29.3
123.11732	16.4
127.03941	3.8
133.10136	29.2
135.11703	51.0
141.22929	3.5
147.11691	45.5
149.13268	6.8
161.13251	14.7
165.12805	4.1
175.14883	5.0
196.30247	3.7
203.17975	51.5
221.18980	9.7
221.21153	3.9
363.21658	8.4
388.49792	3.9
504.31427	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	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.5
54.88552	1.4
55.01880	3.1
55.05516	2.4
61.02942	2.8
67.05506	6.8
69.03432	12.0
69.07072	4.2
70.49197	1.4
70.69240	1.8
71.04969	1.5
73.02929	3.4
79.05497	4.7
81.03427	10.2
81.07059	41.6
83.08628	2.4
85.02907	25.8
87.00825	10.6
91.05484	5.0
93.07061	12.8
95.04972	1.8
95.08608	29.5
95.55324	1.5
97.02885	15.3
99.04456	6.4
105.01871	11.2
105.07039	18.2
107.08606	15.9
109.02897	10.3
109.10169	21.3
115.03989	2.7
117.01859	2.4
117.06973	1.6
119.08589	18.3
121.10155	20.8
123.11726	5.5
127.03911	17.7
129.01849	2.2
131.08609	2.1
133.10141	10.8
135.11687	5.9
145.04985	8.7
145.10144	5.7
147.02879	1.7
147.11691	15.1
149.13280	3.6
157.10150	2.7
159.02922	5.6
159.11739	3.9
161.13269	8.2
163.14809	22.6
175.14841	6.1
201.16425	3.1
203.17957	100.0
204.18375	2.2
205.19536	7.6
213.16415	1.6
219.17508	2.1
221.19017	14.4
228.66939	1.7
231.05057	3.7
231.17119	1.5
233.19009	2.2
311.20047	2.6
329.21182	3.3
415.21207	2.6
433.22131	5.1
451.23239	2.4
504.22650	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	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.3
55.05515	2.7
57.03444	2.3
57.07075	0.3
65.03952	0.5
67.05507	10.0
69.07067	2.4
71.05004	0.3
72.08155	100.0
73.08466	0.2
79.05490	5.8
80.22395	0.2
81.07056	8.3
83.08604	0.9
91.05478	2.9
93.07043	5.9
95.04984	0.7
95.08608	6.4
97.06516	0.3
97.10153	0.3
98.98438	0.2
101.53532	0.2
105.04581	0.3
105.07059	1.4
107.08598	2.6
109.06526	0.3
109.10160	2.1
113.00024	0.2
117.06998	0.3
119.08570	1.1
121.10146	1.7
123.11726	0.8
131.08604	1.2
133.10143	0.8
135.11691	0.8
137.13330	0.3
145.05006	0.3
145.10159	0.5
147.11707	0.4
149.13289	0.6
159.11789	0.4
161.13268	0.5
165.89211	0.2
170.05786	1.6
173.13223	0.4
200.03099	0.2
233.19136	0.5
335.25797	41.9
336.26050	0.9
406.30493	0.2
504.30624	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27145	2.6
51.56086	3.1
55.05505	12.6
59.87150	2.9
62.06085	42.8
67.05202	4.0
67.05505	37.5
69.07072	7.4
71.47057	2.8
72.04497	4.4
79.05486	15.4
81.07064	25.2
83.08606	6.5
88.03975	7.4
91.05479	13.0
93.07037	23.2
95.08608	30.3
98.98446	11.1
105.07023	7.8
107.08598	11.7
109.10156	8.7
119.08546	5.9
121.10143	11.2
125.66069	4.4
133.10110	5.3
135.11696	7.5
147.11728	6.1
149.02379	8.0
149.13295	3.4
155.01042	5.3
193.04950	12.6
198.05275	3.1
203.83841	2.9
234.99026	3.2
289.25201	8.1
332.29465	9.5
363.19223	3.8
363.28903	100.0
410.88547	3.5
486.29904	6.9
504.30020	7.4
504.32089	3.8
504.36581	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	504.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	8.6
56.00884	0.7
57.03442	6.8
59.63449	0.6
65.03925	1.8
67.05508	33.3
69.06750	0.8
69.07075	7.5
69.29092	2.9
70.06586	1.5
71.04983	1.0
72.08155	58.5
73.00462	0.6
78.47015	0.6
79.05489	16.7
81.07058	29.3
83.04984	1.0
83.08631	3.4
91.05472	8.4
93.06448	0.8
93.07041	17.3
95.04959	2.5
95.08609	22.9
97.06518	1.1
97.10201	0.9
105.04546	0.8
105.07034	6.3
107.08591	6.6
109.06527	1.1
109.10149	7.4
115.25230	0.7
117.07034	0.9
119.08588	3.8
121.10147	6.8
123.11669	1.9
131.08559	2.7
133.10121	2.0
135.11693	2.2
145.10153	1.4
147.11662	1.4
149.13289	1.5
154.29387	0.7
159.11586	1.1
161.13278	1.0
168.53276	0.7
170.05777	59.6
201.81683	0.6
244.09528	1.1
335.25800	100.0
336.26205	2.5
373.44028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
56.05048	1.1
57.03431	0.6
57.05810	0.6
57.07078	0.5
67.05504	3.8
69.03432	0.2
69.07057	1.1
69.72751	0.4
69.73132	0.5
70.06589	3.3
72.08154	100.0
73.08504	0.4
79.05490	2.3
81.07058	3.2
81.07501	0.3
81.20328	0.2
83.08628	0.5
85.17133	0.2
86.07199	0.2
86.09712	0.8
90.09189	4.0
91.05476	1.1
93.07048	2.7
95.04989	0.3
95.08598	2.8
97.10193	0.3
98.98495	0.3
105.07052	1.0
107.08601	1.1
109.10130	1.0
117.06976	0.3
119.08594	0.8
121.10165	0.9
123.11749	0.2
131.08588	0.3
133.10165	0.5
135.11719	0.6
146.98164	0.9
159.11690	0.3
164.30496	0.2
170.05774	5.5
170.07190	0.4
175.14944	0.3
244.09457	0.8
299.25839	0.2
317.24698	0.3
332.26804	0.2
335.25793	16.3
336.26315	0.4
445.23306	0.8
447.18851	0.3
486.29825	2.7
504.23947	0.3
504.30676	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.309
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17068	0.1
55.05516	0.3
56.05033	0.6
57.03437	0.2
58.06352	0.3
58.06620	0.4
60.08165	7.0
67.05495	0.8
69.07075	0.2
69.80540	0.5
70.06564	0.2
71.07374	2.7
79.05499	0.5
81.03428	0.2
81.07061	0.6
83.08608	0.1
86.09707	30.8
91.05498	0.3
93.07041	0.4
95.08596	0.4
98.22689	0.2
98.98467	2.8
104.10741	3.0
104.99345	0.2
105.00176	0.2
105.07018	0.2
107.08630	0.1
109.10174	0.3
115.76669	0.1
119.08539	0.2
125.00004	20.8
143.01019	0.1
151.07503	0.1
184.07339	100.0
185.07629	0.5
244.94638	0.1
258.10983	0.3
486.29703	1.3
504.30969	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
55.05518	21.2
56.05037	4.8
57.07078	8.2
63.81794	2.4
67.05511	27.8
69.03427	6.4
69.07071	40.4
69.68910	8.2
69.69267	2.5
71.05008	12.5
79.05502	17.4
81.07061	100.0
83.04994	5.2
83.08622	11.0
84.04510	93.2
84.41603	2.3
85.02892	5.4
87.04440	3.0
91.05498	12.1
93.07050	57.8
95.04967	24.9
95.08612	55.4
97.06535	8.6
97.10180	19.1
98.22747	4.9
99.08108	2.7
102.05552	53.1
105.01886	3.5
105.07036	31.1
107.08597	38.2
109.06526	6.9
109.10159	39.1
111.08088	6.8
111.11724	7.8
114.09173	2.3
117.07015	3.6
118.87048	2.2
119.08577	26.5
121.06520	4.2
121.10161	49.7
123.08134	2.6
123.11723	43.2
125.09674	5.1
130.05005	55.2
131.08577	10.1
132.66628	2.7
133.10127	14.6
135.08058	3.1
135.11705	23.8
137.13249	4.7
139.11197	10.7
141.12740	3.2
145.10120	22.7
147.11688	24.6
148.06053	85.6
149.09622	3.0
149.13231	8.8
151.11197	5.2
153.12758	11.9
157.10136	4.4
157.12201	2.6
159.11707	19.6
160.77231	2.7
161.13280	9.7
163.11172	7.8
163.14810	4.2
165.12762	6.4
171.13875	3.4
173.13283	5.8
175.14867	6.4
177.12720	3.2
177.16417	2.4
181.12286	6.8
187.14835	6.4
201.16451	3.4
203.17990	4.0
205.15742	2.9
235.16907	3.2
257.22668	10.1
267.20944	2.9
275.23792	13.9
285.22208	8.2
285.27386	2.4
291.23233	5.3
293.24814	14.1
298.16498	10.3
300.17801	3.1
303.23196	76.3
304.23450	3.7
309.24185	3.5
316.17502	18.3
321.24237	19.1
342.13397	2.4
404.28207	3.8
410.28702	2.5
422.29037	12.5
432.27344	5.6
438.28485	6.5
450.28775	11.7
456.29807	2.6
468.29623	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	504.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.5
55.01876	2.4
55.05512	12.5
56.05032	3.2
56.10301	1.6
57.03435	1.7
57.07071	4.5
65.03951	1.7
67.05515	21.9
68.67191	1.3
69.03420	6.7
69.07076	20.0
71.05002	4.0
71.08643	1.6
77.84659	1.5
79.05499	22.5
81.03428	3.5
81.07060	49.0
83.04994	3.3
83.08616	9.3
84.04510	75.5
85.02912	11.8
85.06550	2.9
87.00820	3.2
88.28723	1.5
91.05478	18.2
92.12064	1.5
93.07054	38.1
95.04973	10.1
95.08610	39.9
97.02888	3.0
97.06522	4.8
97.10162	8.0
99.04486	2.1
102.05547	40.2
105.01897	6.5
105.07038	34.4
107.08599	38.4
108.08877	1.4
109.06534	6.4
109.10160	27.0
111.08101	3.4
111.11713	1.9
117.07012	4.6
119.08594	34.7
121.06557	2.1
121.10152	27.0
123.08073	4.2
123.11713	12.8
123.79705	1.6
125.09605	8.7
127.03902	3.6
130.05006	55.4
131.08604	9.0
133.10155	26.1
135.08084	6.4
135.11699	24.3
137.09619	3.7
137.13260	2.5
139.11200	3.2
143.08627	2.5
145.04988	3.5
145.10126	22.1
147.11682	20.5
148.06053	100.0
149.09662	3.4
149.13257	8.3
151.11267	3.4
153.12743	1.7
157.10110	3.7
157.27490	1.5
159.11662	9.7
161.09656	2.1
161.13278	7.8
163.11185	4.1
163.14822	4.7
165.12752	3.8
173.13322	4.9
175.14862	13.1
176.02826	1.9
177.12799	3.1
177.16396	4.3
179.14380	1.4
185.13319	2.7
187.14844	3.6
193.15982	2.9
195.13936	1.8
197.13295	2.1
201.16429	2.2
203.14330	1.8
203.18015	9.4
205.15959	1.8
221.15324	2.0
221.19107	1.9
231.05013	2.8
237.86874	1.5
244.15436	4.1
249.06087	2.9
255.21132	4.5
263.23761	2.1
273.22125	6.7
275.23856	3.2
285.22086	5.2
291.23169	15.8
303.23224	15.2
321.24231	7.1
339.25256	1.9
342.22946	1.9
392.28177	1.9
420.27438	18.2
422.29214	3.7
432.27432	4.9
438.28549	53.0
450.28574	13.5
456.29459	5.2
468.29626	14.5
486.30670	16.0
504.20047	8.4
505.20926	2.3
505.27438	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	504.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	13.8
56.05037	6.1
57.07079	5.7
67.05502	21.1
69.03440	4.7
69.07068	27.9
71.04999	4.6
71.08659	1.5
76.84349	1.4
79.05499	12.9
81.07060	63.9
83.04983	2.7
83.08633	10.5
84.04507	100.0
85.02927	7.2
86.76272	1.6
91.05479	8.2
91.47820	1.4
93.07047	27.3
95.04988	6.1
95.08607	59.7
95.09221	2.9
97.06532	5.1
97.10191	11.5
99.08107	1.7
102.05545	60.0
105.01875	1.7
105.07038	19.3
107.08597	39.8
108.65038	1.4
109.06548	4.8
109.10159	51.4
111.08070	5.2
111.11739	6.3
113.09663	2.0
117.07005	3.0
119.08589	22.2
121.06516	3.0
121.10149	33.9
123.08100	2.3
123.11710	32.6
125.09642	5.3
127.03893	3.1
130.05003	60.8
131.08594	5.6
133.10130	17.5
135.08038	3.6
135.11697	26.5
137.09624	4.2
137.13272	14.3
139.11172	4.1
139.50803	1.4
139.63620	1.4
145.01108	1.5
145.04982	1.7
145.10126	9.4
147.11690	16.0
148.06049	78.6
149.09619	3.3
149.13251	16.2
151.11183	5.2
151.14821	2.9
153.12727	1.8
157.18518	1.4
159.11708	12.5
161.13255	9.7
163.11212	8.2
163.14812	7.1
165.12759	5.1
165.16344	2.1
173.13309	5.4
175.11234	3.4
175.14807	8.5
177.07823	1.8
177.09233	2.0
177.12793	4.7
177.16402	6.9
185.13269	1.8
187.14874	4.4
189.12878	1.7
189.16388	2.8
191.14317	3.4
191.17928	1.9
193.15889	4.1
201.16376	4.1
203.14253	2.0
203.17950	6.8
205.15891	1.7
211.14835	2.0
221.15382	4.5
221.19055	3.7
257.22659	6.6
259.24216	3.3
261.22153	2.3
267.21179	3.7
270.68460	1.4
274.25250	2.0
275.23734	21.7
277.25323	8.7
279.22992	1.5
279.63846	1.4
285.22101	10.4
293.24692	3.3
302.24710	8.1
303.23190	57.0
304.23587	1.6
320.25876	4.8
321.24194	20.4
339.25247	6.5
342.22458	1.6
358.27371	2.3
386.27100	2.4
404.28033	12.5
406.29279	4.1
414.26245	5.7
422.29184	5.4
424.30554	26.1
426.28778	1.6
432.27414	23.9
450.28513	70.9
451.28839	2.6
468.29568	39.3
486.30569	4.2
504.30759	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.6
57.07059	5.8
60.08173	10.0
61.02912	7.8
67.05505	73.9
69.07063	13.7
69.31618	28.2
71.04969	8.9
73.02985	5.0
78.51258	4.4
79.05488	55.3
81.07055	73.0
83.08618	14.9
85.02895	12.4
85.06558	6.1
86.09678	14.1
91.05489	35.8
93.07049	72.6
93.92006	5.2
95.04991	6.6
95.08604	57.5
97.06503	5.3
98.22773	11.2
98.98389	5.3
99.08096	7.6
104.10718	13.5
105.07014	16.7
107.08595	49.2
109.10181	28.2
111.08006	6.2
117.07031	18.4
119.08577	22.6
121.10137	79.4
121.69856	4.8
123.11718	31.9
125.00016	17.0
125.09598	4.6
126.51760	6.0
131.08534	31.1
131.58144	4.4
133.10138	25.0
135.08070	4.8
135.11694	57.3
136.89214	4.8
137.09579	7.3
137.13243	11.2
142.92415	5.3
145.05061	5.5
145.10129	22.2
147.11662	18.2
149.13252	32.5
159.11707	20.7
161.38861	5.4
173.13263	22.1
184.07375	60.5
215.17952	94.7
233.18974	100.0
307.22580	20.4
325.23792	31.8
364.90530	5.2
424.87503	6.1
469.27789	11.2
487.17010	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	504.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.0
57.03432	8.2
57.07064	6.1
61.02913	7.2
67.05510	58.0
69.07063	9.1
69.57360	11.8
71.04994	6.2
79.05499	60.4
81.07062	53.3
83.08621	7.1
85.02892	8.4
85.06548	6.7
91.05467	27.4
92.86964	3.0
93.07045	64.0
95.04990	4.6
95.08607	52.7
97.02877	3.4
97.06540	5.8
98.22715	3.7
98.98438	5.4
99.08109	7.9
105.04504	3.9
105.07043	21.3
105.81192	2.9
107.08598	34.9
109.06470	3.4
109.10172	28.2
111.08061	3.7
113.09680	3.7
117.07018	14.9
119.08602	21.7
121.10143	46.6
123.11697	14.8
125.09610	3.0
131.08588	26.4
133.10124	21.5
135.08067	3.2
135.11691	45.4
137.09636	4.1
137.13312	5.4
140.37555	3.3
145.10133	27.3
147.11655	13.6
149.09671	3.3
149.13240	34.1
151.11192	4.5
159.11719	19.2
161.13242	5.1
165.10896	2.7
173.13260	16.0
175.14803	4.3
187.14836	6.5
191.14262	3.5
205.19504	6.8
215.17969	78.7
216.18225	3.3
233.16750	5.6
233.19020	100.0
269.71188	2.9
307.22769	10.2
325.23703	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	25.0
56.13852	3.6
57.07066	5.9
57.56420	3.0
59.81454	3.0
67.05506	28.6
69.03426	10.5
69.07066	31.9
70.51830	6.7
71.04982	7.9
79.05482	25.7
81.03385	4.8
81.07058	100.0
83.04970	9.2
83.08601	9.1
84.04505	82.3
84.05012	5.9
85.02905	9.2
85.06541	7.7
86.91649	3.4
87.00829	3.7
91.05487	21.8
93.07053	58.5
95.04951	13.3
95.08607	68.3
97.02885	4.1
97.06512	15.6
97.10162	19.4
99.08067	3.3
102.05544	46.2
105.04485	3.1
105.07033	56.4
107.08594	56.5
107.51005	3.5
108.08855	4.7
109.06539	17.5
109.10168	38.6
111.08053	7.9
111.11696	4.8
117.07042	7.9
119.08585	57.4
119.16985	3.1
121.06484	3.7
121.10139	71.6
123.08069	8.5
123.11703	31.1
125.09617	9.9
130.05008	53.2
131.08566	14.6
133.10130	32.8
133.11058	4.7
135.08089	4.6
135.11714	27.7
135.79321	3.1
137.09633	8.5
137.13217	4.4
139.11183	15.2
143.08543	5.6
143.10591	3.3
145.10167	32.4
147.11684	43.8
148.06038	93.0
149.02338	7.4
149.13300	13.1
151.11205	5.5
157.12224	7.2
159.11702	33.7
161.13269	19.0
163.11218	17.5
163.14857	6.2
165.12720	6.7
171.11671	5.9
173.13245	12.9
175.14861	13.6
177.12753	5.6
177.16328	6.9
185.13202	4.6
187.14871	15.6
193.15881	7.6
199.14801	4.3
201.16396	4.2
203.17937	11.5
204.28952	4.0
205.15854	6.1
211.14890	4.9
219.17441	4.4
221.15390	3.7
257.22491	4.0
267.21002	4.0
273.22186	9.7
285.22116	19.3
286.16379	8.7
291.23264	7.5
298.16422	6.2
303.23135	41.4
310.39017	3.2
316.17386	7.1
321.24112	24.2
352.88965	3.7
370.22217	10.3
404.27896	5.9
420.27490	16.9
432.27353	13.7
438.28470	23.8
450.28592	23.5
461.30774	8.4
468.29309	13.7
504.20569	15.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72010	1.2
67.75997	1.0
69.29218	4.5
69.29624	2.6
70.06594	2.0
84.08137	2.6
86.09718	2.7
89.03912	10.4
91.05482	1.6
93.03384	2.2
100.59048	1.3
101.61407	1.2
103.05479	1.8
106.04168	3.4
114.45030	1.1
117.03385	33.3
119.80781	1.1
121.06531	4.6
125.06020	1.3
129.10278	2.4
134.03587	2.7
135.04404	2.4
145.02846	81.4
145.52834	1.3
146.03246	1.4
147.04492	1.4
149.05998	19.3
153.09189	1.4
163.03882	1.6
167.06969	5.6
168.45404	1.4
177.05473	100.0
178.05890	1.6
179.07062	2.6
180.07791	1.9
181.08611	3.7
191.06973	2.8
198.01053	1.2
201.05547	7.2
209.08086	42.0
210.08801	4.4
231.06560	1.5
236.25308	1.1
277.15268	1.5
278.16318	4.4
279.17087	11.2
335.09189	2.7
355.11935	6.8
367.11789	3.8
377.01190	1.1
386.97134	1.2
505.25439	26.7
506.26205	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2774
Annotation	Mellerin B
Peak:m/z	Relative Intensity
58.75867	1.0
59.17133	1.0
59.72636	1.0
61.06012	0.9
69.03407	1.2
72.57655	0.9
73.50508	1.0
75.98401	0.9
79.05508	1.3
80.22832	0.9
82.07413	0.9
85.02933	1.4
91.54146	1.0
95.04948	1.0
95.08618	1.4
96.88446	1.0
97.02961	1.2
98.22553	0.8
105.07020	1.9
107.08646	1.2
109.10216	1.1
121.10119	1.2
126.16261	1.0
145.10159	1.8
163.03937	1.2
183.11754	1.0
184.07249	1.0
185.04231	6.6
239.17874	1.1
325.21396	2.5
343.22446	46.0
344.22534	1.6
505.27716	100.0
506.27814	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	505.2776
Annotation	Mellerin B
Peak:m/z	Relative Intensity
50.17525	0.6
53.09312	0.5
58.84223	0.5
69.21293	2.4
91.40375	0.5
93.07021	0.6
111.36849	0.5
121.55067	0.5
136.86412	0.5
156.32896	0.5
203.05299	3.7
325.21362	0.8
505.27701	100.0
506.28113	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	505.2776
Annotation	Mellerin B
Peak:m/z	Relative Intensity
58.86880	0.4
70.62048	0.5
70.62377	0.7
88.52906	0.4
144.93867	0.4
185.04202	14.0
228.23192	0.5
243.04860	0.5
260.38980	0.5
325.03537	0.5
343.22479	3.8
505.27710	100.0
506.28033	4.3
532.10754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.5
57.03440	1.8
57.07080	1.3
67.05502	2.8
69.07066	4.4
69.73663	0.3
71.08624	0.7
75.82614	0.3
78.04721	0.4
79.05501	1.5
81.07067	2.3
83.08617	2.9
89.03912	4.8
91.05488	1.0
93.07053	1.4
95.04961	0.3
95.08606	1.9
97.10163	2.4
105.07022	0.6
106.04186	0.4
107.08585	1.3
109.10145	1.3
117.03381	15.1
117.07014	0.3
119.08618	0.4
121.10155	0.7
125.09634	0.5
133.10153	0.4
134.03613	1.0
135.04382	1.3
135.11719	1.0
145.02849	41.5
146.03163	0.7
148.10843	0.3
149.05986	4.9
149.13335	0.3
158.06027	0.4
162.03128	0.4
163.03894	0.8
176.99257	0.9
177.05472	100.0
178.05789	1.6
178.39331	0.3
186.05473	2.3
189.11249	0.5
195.00305	14.5
195.06558	1.2
259.20508	0.4
261.22055	0.3
311.25845	2.1
338.89612	0.3
413.20392	0.4
487.24045	0.4
505.24960	6.0
505.31558	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	505.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62189	1.9
70.62503	1.1
84.08160	0.9
86.09692	7.3
89.03928	2.5
103.12334	5.2
112.76488	0.9
117.03372	10.4
133.02834	2.1
135.04414	1.4
145.02849	50.7
146.03218	1.3
149.05983	4.8
177.05473	100.0
178.05798	1.4
204.10208	2.5
237.80193	1.1
249.15833	0.9
279.13806	3.6
279.17023	81.5
280.17267	2.1
347.67014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62616	0.6
54.77219	0.8
56.01783	0.6
63.86274	0.6
69.07042	1.1
69.10632	5.0
70.06577	3.1
77.03959	0.8
79.05481	1.2
84.04446	0.6
84.08146	2.2
85.02908	1.0
86.09686	2.2
89.03909	14.2
89.69753	0.6
93.07043	0.7
98.23447	1.5
105.43502	0.6
107.04966	1.2
117.03376	27.9
117.04208	1.5
123.82646	0.6
124.02395	0.8
124.43252	0.6
129.10243	2.5
134.03604	1.9
134.81134	0.7
135.04413	10.4
137.06010	1.1
145.02846	59.1
146.03139	0.8
147.04416	0.8
149.05965	9.8
163.02492	1.2
163.03902	39.0
177.05466	100.0
178.05840	0.9
209.07922	0.8
209.15379	1.5
211.14436	1.0
237.05423	0.7
295.04507	0.8
309.06049	3.0
506.22635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01874	1.2
55.05508	1.5
57.02974	0.5
65.03951	1.0
67.05496	1.3
69.03413	1.3
69.07064	2.6
70.06574	0.8
71.04993	5.8
71.45818	0.6
73.11012	0.6
79.05486	6.5
80.94537	0.5
81.03397	1.1
81.07063	1.2
83.04952	0.7
85.02898	1.0
86.09692	0.9
87.00788	0.5
91.05470	7.9
93.07042	8.9
95.04981	2.3
97.02899	1.0
99.08055	0.8
105.07022	7.6
107.04967	5.1
107.08595	10.2
109.06537	1.6
115.05473	0.9
116.06200	1.2
117.07009	5.0
117.88044	0.6
119.08601	3.0
120.08087	0.9
121.06498	5.4
121.10140	8.5
123.04408	0.6
127.03907	1.1
129.07002	1.9
130.07771	1.6
131.08562	93.9
132.08899	1.1
135.04417	0.9
135.08028	0.6
135.11687	2.1
139.07529	1.0
143.08549	0.9
145.10120	36.3
147.08031	1.7
149.05925	1.1
149.09615	27.7
153.09108	0.7
153.46849	0.6
155.07018	0.6
163.11191	10.6
163.50818	0.6
167.07018	1.9
173.09587	2.5
179.10693	2.0
181.08565	0.8
181.12219	1.0
191.10652	11.3
205.12227	24.2
211.16920	0.6
212.17186	0.8
212.84912	0.6
223.13280	100.0
224.13657	1.2
234.08180	0.6
235.53746	0.5
438.27768	0.6
473.89426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	6.6
55.01860	9.5
55.05504	14.2
57.03428	4.0
67.05501	13.5
69.03429	30.3
69.07049	4.6
70.38312	6.3
70.38644	6.8
71.04993	8.4
71.46090	3.7
73.02916	5.1
79.05476	14.2
79.65343	3.8
81.03415	17.8
81.07052	16.4
83.04974	12.3
83.08620	53.7
85.02907	49.0
85.06532	4.3
87.00819	16.7
87.04459	5.6
91.05478	10.5
93.07034	16.4
95.04966	12.4
95.08610	18.0
97.02885	37.0
97.06535	19.1
99.04452	14.0
105.01856	16.8
105.07045	15.0
107.04931	8.3
107.08599	100.0
109.02883	17.7
109.06545	8.7
109.10154	38.4
119.08575	16.4
121.06540	10.7
121.10142	13.9
123.08069	23.5
125.05993	17.2
125.09631	83.4
126.06362	3.8
127.03912	27.0
133.06477	6.6
133.10130	4.4
135.11676	15.4
136.08771	4.2
137.05984	12.1
137.09583	4.9
145.04964	14.3
145.10124	10.7
147.08099	11.1
151.07529	7.1
153.12747	8.6
159.11734	22.5
163.11214	28.5
165.09087	18.3
167.06998	6.0
177.12755	12.7
181.12244	45.4
184.17262	3.9
189.12671	4.7
205.12270	21.8
206.13066	6.4
207.13780	10.6
223.13197	31.1
231.05243	4.4
254.21150	3.9
274.00760	3.8
325.44312	3.7
382.47150	4.2
417.20566	4.2
446.21860	4.5
506.24091	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.0
55.01873	10.2
55.05511	11.6
57.07075	4.9
61.02920	9.9
67.05514	15.7
68.99781	5.2
69.03433	39.2
69.07066	13.6
69.67451	8.4
69.67843	9.3
73.02904	7.8
78.39997	4.1
79.05495	10.8
81.03428	37.1
81.07056	49.9
83.08646	7.0
85.02908	100.0
85.04553	4.0
85.06546	15.9
87.00829	36.5
91.05465	10.0
93.07038	17.7
95.04955	6.4
95.08607	42.0
97.02905	33.8
99.04469	18.3
99.08108	11.2
105.01865	44.9
105.07024	12.9
107.08598	14.3
108.07820	4.2
109.02888	36.2
109.10162	26.8
111.04436	6.3
113.09604	5.5
115.03878	5.2
119.08617	10.2
121.10143	12.7
123.11710	14.9
125.99802	3.9
127.03931	65.7
133.10109	8.9
135.11673	14.6
137.13290	4.1
145.04964	28.6
147.02837	5.6
147.11702	6.0
149.13290	13.6
155.08670	5.3
157.10211	5.9
159.02887	22.3
159.11710	9.3
161.13216	6.6
203.17941	4.8
205.19504	17.9
223.20560	19.6
231.05038	18.7
235.20473	11.8
247.20708	7.3
258.56537	4.0
292.99484	5.3
313.21722	7.9
432.65915	5.3
435.23666	6.3
453.24866	6.2
457.34335	4.3
465.69971	4.9
474.16544	8.5
494.26276	4.5
506.27219	10.6
507.21896	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	506.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
54.78319	0.4
54.80067	0.4
55.01878	0.9
55.05514	15.4
57.03438	10.0
57.05827	0.6
57.07075	2.4
58.16118	0.4
60.93317	0.4
62.27302	0.5
65.03936	1.5
67.05505	36.2
69.07069	20.9
69.07450	1.0
69.21663	3.0
70.06580	2.3
71.05001	0.8
71.08646	0.8
72.08154	65.5
73.08491	0.7
77.03880	0.4
79.05495	11.2
81.07058	35.2
83.04982	1.3
83.08615	8.9
85.06542	1.1
85.10183	0.5
91.05479	6.5
93.07043	11.5
95.04996	1.0
95.08605	25.4
97.06521	2.2
97.10165	4.0
98.98465	1.9
99.08086	0.6
105.07018	4.7
107.08595	4.9
109.10151	9.1
111.08089	0.9
111.11707	0.5
118.26204	0.4
119.08595	3.9
121.10158	4.2
123.11713	3.4
131.08487	0.5
133.10126	3.6
135.11710	2.9
137.09636	0.8
137.13261	1.1
147.11714	1.9
149.13248	1.0
161.13226	1.4
163.14778	1.0
170.05774	61.7
175.14822	0.8
177.16396	0.6
244.09419	0.9
245.22685	0.5
263.23544	0.7
335.25760	6.9
337.27365	100.0
338.27701	3.4
380.33224	0.5
498.69678	0.5
506.31857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.6
56.05041	0.8
57.03440	0.6
57.05817	0.7
57.07090	0.3
65.00253	0.2
65.12087	0.2
67.05507	4.6
69.07072	2.2
69.21790	1.2
70.06599	3.0
71.80572	0.3
72.08159	100.0
73.08505	0.4
79.05476	1.2
81.07061	3.7
83.08635	0.9
90.09199	4.1
91.05499	1.1
92.18085	0.2
93.07065	1.5
95.08611	3.5
97.06521	0.3
97.10179	0.4
98.22695	0.5
98.98489	0.5
105.07040	0.5
107.08593	1.1
108.87915	0.2
109.10171	1.4
117.22757	0.3
119.08610	0.4
121.10141	0.7
131.08612	0.2
133.10127	0.3
135.11681	0.4
137.13252	0.3
170.05797	5.7
212.31718	0.2
244.09532	1.0
312.09027	0.3
317.24432	0.2
335.25909	1.4
337.27383	18.6
338.27618	0.6
365.29578	0.3
423.79202	0.3
488.31384	2.2
506.32535	2.8
507.18884	2.0
507.31815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79699	1.2
55.05510	2.0
57.03413	1.1
58.57308	1.1
60.08164	15.2
63.14003	1.3
67.05504	6.9
69.07057	2.1
71.07363	6.0
72.08148	1.6
79.05489	3.7
81.07063	7.6
83.08588	1.7
86.09704	47.1
91.05444	1.9
93.07047	3.0
95.08597	5.9
97.04748	1.4
97.06577	1.2
98.98445	4.0
100.49233	1.2
104.10740	100.0
104.99281	1.2
105.07012	1.4
105.37897	1.3
107.08601	1.8
109.10143	3.7
109.33224	1.2
119.08601	1.5
121.10157	2.0
124.74519	1.2
124.99992	25.7
133.10120	3.5
179.83672	1.2
184.07333	99.6
185.74385	1.2
217.19531	2.2
235.20592	2.3
258.10983	1.5
309.23969	1.8
373.31299	1.4
375.52960	1.4
464.46484	1.3
488.31223	6.7
506.32339	32.9
507.32587	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	506.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
57.20976	0.3
58.06601	0.6
60.08166	6.0
67.05493	1.3
69.29634	1.6
71.07380	2.8
81.07047	0.8
86.09708	30.4
87.10025	0.4
93.07029	0.4
95.08593	0.5
97.08300	0.3
98.98470	2.4
104.10738	3.7
109.10189	0.4
125.00004	20.5
177.90599	0.3
184.07346	100.0
185.07693	0.8
212.84412	0.3
235.74562	0.3
333.89313	0.3
447.19061	0.3
488.31821	1.4
506.32397	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.9
57.03440	5.6
57.07075	10.6
61.02920	5.3
65.03944	2.9
67.05504	63.9
69.07091	15.8
69.24924	15.8
71.04990	5.6
71.08630	5.3
79.05506	19.3
81.07059	77.6
83.08621	9.9
85.02920	7.6
85.06531	5.2
86.09711	4.3
91.05476	23.8
93.07073	14.4
95.08614	57.6
97.06529	6.2
97.10154	3.8
98.98397	3.4
99.08118	7.1
104.10772	4.2
105.07045	13.8
107.08597	13.0
109.10161	24.8
113.09654	6.3
116.79181	2.9
119.08598	12.4
121.09397	2.9
121.10117	18.6
123.11712	17.2
127.11209	5.7
133.10159	19.1
135.11685	15.0
137.13220	17.7
147.11720	11.5
149.13271	4.3
151.14891	16.7
151.48305	3.0
161.13289	15.1
172.19727	3.2
175.14857	6.4
217.19530	75.4
235.20560	100.0
260.20947	3.5
269.02795	2.9
309.24307	26.2
327.25195	5.8
334.24673	5.1
458.19699	3.2
475.84982	3.1
506.24060	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	506.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.4
64.26106	9.0
67.05486	18.1
69.07062	34.2
69.57637	39.9
72.08171	9.0
79.05473	11.6
81.07060	90.8
84.04505	85.3
85.02872	12.7
91.05472	15.3
93.07035	44.5
95.04939	12.8
95.08606	62.4
97.10155	20.7
98.23406	14.4
102.05539	41.9
105.07004	12.9
107.08582	40.2
109.10172	29.0
119.08566	18.0
121.10136	23.9
123.11723	66.6
130.04961	53.4
130.33670	8.7
137.13211	15.2
147.11629	13.5
148.06067	89.9
149.13272	36.5
189.48695	9.9
204.59926	9.8
286.16486	21.4
305.24698	29.2
308.06979	9.9
316.17612	20.7
422.28897	11.2
434.28958	28.5
440.30283	18.2
452.29794	31.8
506.27789	39.5
507.15271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59400	1.5
55.05511	12.4
56.05032	6.2
57.03439	1.7
57.07066	3.7
59.04982	1.7
65.03942	1.7
67.05508	21.2
69.03414	6.8
69.07067	29.7
69.95654	4.2
70.19150	1.4
71.04975	2.0
71.86938	1.4
79.05485	10.2
81.07058	55.6
83.04968	3.9
83.08614	11.6
84.04507	100.0
85.02898	5.7
85.06551	4.3
90.33128	1.5
91.05473	6.7
93.07046	25.7
94.34790	1.5
95.04971	4.4
95.08025	2.2
95.08612	38.4
97.02873	1.8
97.06500	3.7
97.10159	3.5
98.22749	1.4
99.08086	2.1
102.05544	59.5
105.07017	12.4
107.08598	30.5
109.06517	4.5
109.10165	40.2
111.08070	2.8
111.11716	3.4
117.07005	2.5
119.08591	15.6
120.08049	1.8
121.06531	2.9
121.10140	33.2
123.11694	13.3
127.03912	1.6
127.11217	2.5
130.05003	57.1
131.08591	3.2
133.10136	19.6
135.11693	15.7
137.09622	6.0
137.13280	7.1
139.11172	1.7
143.08606	2.0
145.10107	4.7
147.11707	7.6
148.06047	96.7
149.09642	3.4
149.13231	10.3
151.11134	7.5
153.12744	4.4
157.10156	2.5
159.11691	3.4
161.09633	9.6
161.13284	2.8
163.11157	7.7
163.14857	2.1
165.09056	3.4
165.12759	2.6
167.10622	2.1
167.14380	2.4
171.11774	1.5
175.11223	4.1
177.12724	2.5
177.16380	3.0
179.10664	6.0
181.12222	6.1
189.16449	2.3
193.12302	2.3
203.18018	2.3
213.16350	2.1
217.15869	1.8
223.16994	1.6
242.10110	1.9
245.22630	2.7
259.24249	2.4
263.23715	3.7
269.22620	4.1
277.25204	2.5
287.23773	11.3
298.16528	16.5
305.24738	26.9
310.16364	5.2
314.23810	1.5
323.25809	6.2
341.21399	1.8
388.28732	1.9
406.29559	7.3
416.27661	3.2
424.30426	6.0
434.28964	10.1
452.30038	49.1
453.30212	2.9
470.31122	26.1
488.25784	4.6
488.32272	8.7
506.27338	16.9
506.37335	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	506.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.9
62.06093	100.0
67.05520	9.0
69.07078	3.1
69.17857	5.9
69.18269	3.1
79.05492	9.4
81.07057	12.2
88.37699	2.2
89.93634	2.1
91.05479	6.0
93.07043	12.9
95.04967	2.6
95.08607	11.3
98.23425	3.8
105.07046	4.8
107.08612	4.6
113.90947	2.8
119.08579	4.3
121.10152	5.8
125.16068	1.8
133.10152	2.2
135.11697	5.5
138.31921	1.8
147.38155	1.9
149.13327	3.2
197.23842	2.2
427.39325	3.5
470.43051	3.7
488.44455	19.3
506.22360	4.5
506.45905	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.108
Annotation	Kudzuisoflavone A
Peak:m/z	Relative Intensity
50.24137	0.4
53.03946	0.8
55.01889	0.4
55.05513	3.0
57.03439	1.4
57.07081	3.9
59.44989	0.3
65.03928	0.7
67.05157	0.7
67.05505	10.8
69.07067	2.2
69.21184	1.5
69.21590	0.9
71.04966	0.5
71.08628	2.8
77.03933	0.5
79.05491	6.8
81.03431	0.5
81.07058	6.5
83.08604	2.5
85.06553	0.6
85.10177	1.2
91.05466	4.8
93.07046	4.1
95.04973	3.1
95.08614	5.2
97.10146	2.1
105.04517	1.4
105.07035	2.2
107.04945	6.1
107.08588	2.7
109.10145	7.2
114.81629	0.5
117.07009	0.9
119.04939	1.0
119.08598	1.8
121.10146	1.6
125.05986	4.3
125.09642	1.6
131.08536	1.2
133.10152	1.3
135.04420	50.8
135.05479	3.6
135.11722	1.2
136.04778	1.0
137.13251	0.6
145.10153	0.9
147.04410	6.7
147.11705	0.5
149.13235	0.7
151.11050	0.4
163.14893	0.4
165.05496	1.3
171.11731	0.5
173.11768	1.5
173.13255	0.7
176.99260	3.9
187.03906	0.7
189.11253	1.2
195.00301	10.6
197.03773	0.5
202.07848	0.9
205.10197	0.5
211.04024	0.8
215.03409	0.5
215.08627	1.0
218.07397	1.0
227.12814	1.3
229.14328	4.2
231.08058	0.5
233.09639	1.6
238.02541	0.6
239.03371	0.6
242.07123	0.5
243.08083	1.4
243.21111	1.6
245.09705	1.1
255.08089	0.7
259.07492	0.9
261.09079	2.9
261.22128	2.8
269.03888	0.7
271.07645	1.6
273.09222	1.5
274.06305	1.1
275.07111	1.3
277.08792	0.7
284.03250	0.8
287.07239	0.9
288.07794	0.6
289.08530	4.6
300.07877	0.5
301.08572	1.7
302.05792	1.1
303.65277	0.4
306.10519	0.6
313.27383	3.8
315.06586	1.1
316.07379	0.6
317.08066	44.1
318.08658	1.5
327.06473	1.0
329.08136	0.6
333.12781	0.6
335.09399	0.8
335.25803	3.0
343.06046	2.0
345.07553	37.6
346.08008	1.5
349.12198	0.6
353.26834	0.5
355.06180	1.0
358.98376	0.4
359.05792	0.7
359.10730	0.6
361.12399	0.8
364.10907	0.7
371.05441	1.7
373.06958	3.4
374.09436	1.1
375.10065	0.8
376.11295	0.5
377.11807	1.2
379.09332	0.7
380.10519	0.7
387.10046	0.5
388.11185	0.5
389.11710	1.3
390.08508	1.2
391.09274	0.8
395.12949	0.6
397.31107	0.7
400.05710	0.5
404.10486	1.3
405.11160	2.1
407.12921	1.2
415.09500	0.5
415.22293	1.2
415.32062	0.7
416.10504	1.2
417.11304	3.5
420.09784	0.8
423.12308	6.8
433.10739	3.3
433.33044	0.6
435.12506	2.3
445.10556	3.5
451.11774	21.7
452.12207	0.9
461.10129	3.5
462.11041	0.6
463.11780	13.9
464.12076	0.5
465.09799	2.3
471.34418	0.7
479.11234	17.7
480.11539	0.9
489.09692	20.2
489.25525	0.9
489.35834	3.9
490.10034	0.8
492.08475	0.6
507.10773	100.0
507.26730	19.6
507.35895	1.4
508.11093	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	507.257
Annotation	Sublanceoside A2
Peak:m/z	Relative Intensity
57.95767	0.9
58.17347	1.0
69.18164	2.8
69.18572	4.4
126.62386	1.1
158.24989	1.1
166.00737	1.0
246.20915	1.1
507.25659	100.0
508.26230	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	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.05517	9.2
57.03436	7.4
57.07068	1.1
65.28427	0.9
67.05160	1.8
67.05508	35.1
69.07069	8.5
71.34589	0.7
72.08154	6.9
79.05495	18.8
81.07054	29.2
83.04999	1.2
83.08624	3.8
86.09660	0.9
91.05484	10.2
93.07044	19.3
95.04961	2.6
95.08609	20.3
97.06535	1.4
98.98472	17.1
105.03405	2.2
105.07047	7.4
107.08584	9.2
109.06461	1.4
109.10176	10.3
117.07003	2.8
119.08574	4.5
121.10146	4.9
123.11694	1.9
131.08571	2.6
133.10152	2.6
135.11697	3.6
144.78815	0.8
145.10135	1.8
147.11723	1.4
149.13266	1.4
154.02890	0.9
155.01053	2.9
159.11694	1.1
161.13284	1.5
170.84229	0.8
173.02103	3.0
173.13246	1.7
184.07375	2.8
238.12195	1.7
261.22287	2.3
317.24799	1.1
335.25806	100.0
336.26193	2.9
338.27731	2.5
507.32736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00159	1.4
53.03938	1.5
55.05511	9.8
57.03443	7.5
63.46006	1.3
64.73941	1.4
67.05166	1.8
67.05507	36.9
69.07079	7.6
71.04993	1.7
71.47014	1.4
79.05106	1.8
79.05498	19.8
81.07059	32.3
83.08608	2.9
86.09692	4.0
91.05474	10.3
93.07052	22.6
95.04974	1.9
95.08608	26.4
97.10115	1.5
98.98470	18.6
104.10731	5.5
105.07030	5.6
107.08582	9.5
109.10152	10.4
117.07024	1.8
119.08587	4.5
121.10165	7.2
123.11739	3.2
124.99985	2.4
131.08551	4.9
132.21652	1.3
133.10123	3.2
135.11667	5.1
145.10133	2.6
147.11674	2.4
149.13217	2.9
173.02072	2.5
184.07326	8.3
185.07747	1.9
239.73828	1.5
247.05881	2.0
261.22171	2.0
265.11682	4.9
293.21310	1.6
310.68188	1.3
333.17505	1.7
335.25815	100.0
336.26224	2.2
349.17526	14.3
396.78146	1.9
447.13696	2.0
507.16452	4.5
507.32452	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	507.2724
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.03932	1.8
55.01860	1.4
55.05509	11.3
57.03436	7.0
57.07058	2.1
65.03922	0.9
67.05504	36.5
69.07065	11.2
71.04987	0.8
71.22355	0.8
72.08128	0.6
75.04471	0.8
77.03961	1.0
78.39980	0.6
79.05039	1.5
79.05492	27.9
81.07057	37.4
83.04984	1.3
83.08604	4.7
85.06541	1.0
91.05479	13.8
93.07041	29.4
95.04953	3.2
95.08603	25.2
97.06505	1.4
97.10155	1.9
98.98465	47.5
103.05506	0.7
105.04508	1.1
105.07038	11.4
107.08595	15.2
109.10150	12.8
111.08121	1.0
113.30620	0.7
117.07024	3.0
119.08575	9.8
121.10141	14.4
123.08074	0.9
123.11696	3.4
129.16092	0.7
131.08577	6.3
133.10114	6.9
135.11713	7.6
137.13199	1.4
145.10103	3.9
147.11687	5.1
149.09622	1.1
149.13255	4.7
151.14877	0.8
155.01041	17.2
159.11688	3.7
161.13243	4.6
163.14835	2.4
173.02086	6.1
173.13281	3.1
175.14780	2.0
177.16397	1.0
187.14813	1.8
187.56039	0.7
201.16438	1.2
211.03587	1.1
213.14680	0.8
221.15338	1.7
229.04654	3.3
233.22676	0.9
241.56445	0.7
243.21022	5.6
247.05763	2.8
261.22165	11.5
299.23627	1.0
317.24765	6.5
335.25797	100.0
336.26035	3.1
350.14020	0.7
415.22278	0.9
471.25089	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04398	1.5
54.70720	2.0
55.05505	11.1
57.03433	9.2
57.07071	2.3
66.07167	1.8
67.05505	38.7
69.07050	9.3
69.75642	2.3
69.75969	3.5
70.45721	1.5
79.05492	23.0
81.07059	35.0
83.08587	3.1
91.05484	15.4
93.07046	30.2
95.04967	5.0
95.08608	28.5
95.95459	1.7
98.22773	3.0
98.98475	42.9
99.08105	2.3
105.07047	6.5
107.08582	15.8
109.10142	13.4
117.06977	1.9
119.08572	8.4
121.10156	11.2
123.11681	3.6
131.08577	4.6
133.10126	7.3
135.11684	6.9
145.10052	2.8
147.11668	6.5
149.13266	5.5
153.08862	1.5
155.01044	15.3
159.11740	3.7
161.13251	3.4
163.14806	2.6
165.09039	1.6
173.02107	7.3
173.13269	2.9
175.14838	1.8
221.15334	3.7
243.21109	4.4
247.05754	2.5
261.22195	10.1
317.24741	3.8
335.25793	100.0
336.26260	3.1
376.59290	2.1
380.41754	2.0
381.44482	1.7
406.07516	1.9
422.14615	1.7
471.25076	3.6
507.34875	2.8
521.94202	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	507.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35302	1.1
70.06599	6.9
71.45947	1.3
86.09701	1.5
88.07645	4.8
89.03934	2.7
90.80276	1.2
95.04989	1.4
103.17249	1.1
105.10300	5.4
111.56191	1.1
117.03397	13.3
118.52318	1.1
133.02893	3.0
135.04385	1.7
137.07846	1.4
145.02853	51.9
147.04388	2.6
149.06012	4.5
158.15273	1.2
163.03891	3.2
177.05476	100.0
178.05829	2.2
184.92772	1.1
208.68738	1.3
212.82564	1.1
234.11195	2.0
263.13898	11.3
265.03464	1.3
281.14966	70.9
282.15387	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3661
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
50.82214	3.3
55.92420	3.0
71.35336	4.2
82.70261	4.4
88.18070	3.7
124.87660	3.9
166.64120	3.9
188.34236	4.1
195.09903	4.7
201.16031	3.4
207.78743	3.9
247.18321	3.5
507.36584	100.0
508.36652	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	508.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
57.03435	1.5
60.79950	0.5
61.02912	1.1
69.03426	3.0
70.23310	0.8
70.23634	0.8
73.02921	19.1
81.03438	0.7
85.02898	6.9
97.02903	4.8
109.02888	1.0
110.03671	0.9
115.03915	2.0
125.05991	17.0
127.03911	1.6
133.04985	2.2
137.72569	0.5
145.04977	2.5
146.25093	0.6
149.05966	0.9
151.03917	45.2
151.04958	1.8
151.07520	1.4
177.05421	0.6
179.05566	1.1
179.07056	16.5
197.08098	100.0
198.08461	1.3
318.54443	0.5
359.13538	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
62.66984	1.0
69.87427	1.4
69.87783	2.8
81.07050	2.1
91.05482	2.7
94.04169	2.3
103.05463	2.3
105.07023	2.6
107.04945	1.4
109.06496	2.2
115.05451	2.1
117.06980	2.3
122.03672	3.6
128.06206	1.6
129.07010	8.6
130.04121	1.4
131.04953	3.4
133.06476	2.3
137.05971	100.0
138.06334	2.2
141.06963	1.9
144.92227	1.0
145.06493	22.0
146.03667	1.1
147.04410	3.5
149.06041	2.3
150.06773	1.8
157.06494	20.8
159.08170	1.3
161.05966	9.4
162.06773	4.9
169.06497	14.4
187.07533	2.3
190.07794	4.0
201.00699	1.2
202.07835	1.8
203.08583	3.9
204.09319	1.3
205.10078	5.8
207.08066	1.3
215.08533	6.8
215.96906	1.0
218.07280	4.1
219.08076	1.3
221.09584	5.6
231.08098	1.4
232.08865	2.4
233.09552	9.1
234.10185	1.0
235.07510	1.2
243.08011	1.5
249.09227	5.2
250.10034	1.4
261.09088	14.6
262.09808	1.7
265.12363	1.3
267.10385	1.7
281.11731	21.8
281.14703	1.8
293.11700	18.6
295.13116	1.4
295.48514	1.2
311.12756	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	508.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01867	7.0
55.05515	33.4
57.03443	24.3
65.03948	4.8
67.05162	5.1
67.05505	98.0
68.30682	3.1
69.07069	25.9
70.68559	4.6
71.04968	5.1
75.76719	3.0
77.03922	4.2
79.05502	69.1
81.03402	7.2
81.06625	6.2
81.07062	79.6
83.04977	12.8
83.08614	15.7
85.06530	4.6
90.21647	3.0
91.05480	61.4
93.07046	72.0
95.04977	22.4
95.08610	53.4
97.06528	11.1
97.10198	7.6
98.06022	5.5
98.98457	8.2
105.04482	6.4
105.07026	35.8
107.04944	7.0
107.08582	49.5
109.06557	15.4
109.10152	36.3
111.04488	6.1
111.08074	4.7
117.07028	25.2
119.08590	44.6
121.10133	25.4
123.07993	4.5
123.11687	4.2
125.09589	5.4
129.06975	7.3
131.08553	27.5
132.56879	3.2
133.10132	21.5
135.08093	6.6
135.11676	10.1
135.42709	3.6
137.09595	5.5
143.08563	9.4
145.10117	17.1
147.11703	19.3
149.09621	7.0
149.13251	4.9
151.11253	3.2
157.10178	7.9
159.11722	14.0
161.13341	4.0
163.11266	3.8
171.11629	4.1
173.11703	9.5
173.13260	11.7
185.13287	4.9
189.11107	3.9
189.16328	3.9
195.13736	4.6
216.06325	6.3
219.17491	3.8
223.13266	6.4
229.14375	28.6
253.18140	3.6
257.18985	9.6
269.17581	11.7
275.20059	32.1
283.19101	5.6
293.21121	6.0
309.20590	30.9
318.24307	4.0
329.17493	17.9
331.22717	19.2
349.19467	4.7
349.23700	78.6
367.24811	100.0
368.24963	4.3
388.28082	3.2
432.21396	11.1
472.24429	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	508.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16319	0.3
52.31185	0.4
53.00834	0.4
53.03925	0.9
55.01876	2.8
55.05515	15.0
57.03445	5.3
57.07056	0.7
61.19705	0.4
62.06079	0.9
67.05508	16.7
69.03399	1.9
69.07068	4.0
69.73241	1.1
70.69198	0.4
71.05006	0.8
71.08632	23.8
79.05499	13.8
81.03439	2.1
81.07059	15.0
83.04970	3.0
83.08192	0.5
83.08619	6.3
85.02863	0.6
85.06541	0.8
91.04942	0.5
91.05476	5.9
93.07047	8.4
95.04979	3.1
95.08047	0.4
95.08610	7.2
97.06508	1.4
97.10171	12.1
98.06044	0.5
98.23457	0.6
98.98471	3.1
99.07456	0.9
99.08095	13.7
102.26389	0.5
105.04540	0.5
105.07024	3.5
107.04928	1.8
107.08595	8.8
109.06476	1.3
109.10165	5.4
111.08054	1.8
115.05416	0.5
117.07029	2.2
119.08569	2.4
121.06479	1.8
121.10113	2.1
123.08035	0.7
123.11708	0.9
125.00055	0.6
125.09636	10.1
129.06987	0.6
131.08556	2.0
133.10112	2.6
135.08054	2.7
135.11714	0.9
137.09590	0.6
139.11185	2.2
141.09109	0.6
142.02580	0.7
143.10686	0.7
145.10101	1.3
147.11688	1.7
149.09589	0.7
149.13243	1.4
151.11166	1.7
153.09102	1.0
157.10165	0.7
159.11655	0.9
161.09589	0.7
161.13344	0.4
163.11217	1.1
165.12723	1.5
167.10707	0.8
171.10167	1.4
173.02094	0.4
173.11806	0.4
173.13226	0.5
177.12726	1.7
184.07318	2.5
189.11206	8.0
193.12331	0.6
195.13802	0.9
216.06285	1.3
222.08563	0.5
227.12744	0.9
227.48943	0.4
229.14339	1.3
235.74359	0.4
247.20551	1.4
251.16130	0.4
257.18958	1.2
265.21689	0.8
267.15897	2.2
275.20062	10.5
293.21106	72.3
294.21475	1.6
318.24271	0.7
336.25388	1.1
349.23694	3.4
358.13412	0.4
367.24799	100.0
368.25266	2.8
429.20358	3.0
447.21603	1.5
490.25784	0.9
508.26736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.7
55.05516	13.9
57.03442	3.6
57.09532	2.0
62.06079	1.8
67.05502	14.9
69.03420	2.2
69.07075	9.7
69.88315	2.9
69.88647	3.5
71.08638	17.6
72.90357	1.6
73.53182	2.4
79.05493	11.7
81.03443	4.7
81.07064	12.3
83.04962	3.7
83.08620	5.8
85.06538	2.5
86.09724	2.7
91.05479	5.0
93.07045	8.4
95.04965	3.2
95.08602	7.0
97.10167	8.3
98.98468	5.0
99.08117	10.7
105.07018	6.0
107.04959	3.4
107.08585	8.6
109.06519	3.0
109.10168	6.0
111.63774	1.7
119.08587	3.4
121.10143	2.8
125.09627	6.2
127.07584	1.9
131.08595	2.1
133.10097	2.2
151.11227	2.0
165.12788	2.5
172.25505	1.7
184.07394	6.1
189.11292	2.2
197.12856	1.7
275.20154	5.0
293.21091	54.1
306.12546	1.7
336.25385	2.3
340.30795	2.2
341.97455	1.7
349.23868	4.6
367.24796	100.0
429.20319	7.5
447.21286	5.3
490.25684	2.1
508.27533	2.6
509.23602	3.0
512.40985	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	508.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.6
55.05515	17.2
56.05038	0.7
56.05846	0.5
57.03442	9.5
57.05817	0.4
57.07077	11.6
58.07416	1.0
65.03965	0.5
67.05508	14.8
68.05844	0.5
69.07072	24.0
69.21460	1.9
70.06593	1.6
70.07396	0.4
71.05003	1.2
71.08632	7.0
72.08158	57.3
73.06577	0.4
77.03915	0.5
77.60309	0.3
79.05495	6.1
79.81834	0.3
81.07059	14.2
82.07374	0.5
83.05001	1.0
83.08624	15.1
84.08948	0.5
85.06562	1.0
85.10184	3.1
86.10522	0.6
89.06046	0.5
91.05484	0.8
93.07054	8.0
95.04988	0.5
95.08613	16.1
96.08958	0.5
97.06534	2.5
97.10175	9.2
97.39509	0.4
99.08105	0.4
105.07060	0.3
107.08600	5.4
109.10164	6.3
109.72881	0.3
111.08103	1.9
111.11722	2.6
115.03711	0.6
121.10157	7.8
123.11723	1.4
125.09703	0.7
135.11700	5.3
137.13268	0.8
139.11177	0.8
142.28030	0.3
149.13303	2.3
152.67822	0.3
153.12750	0.7
163.14867	0.9
165.16417	0.5
170.05783	62.8
176.99310	1.0
195.00302	28.3
196.00662	4.7
197.00720	0.6
214.00233	0.5
244.09435	0.4
247.24376	0.5
265.25235	0.8
313.27310	1.4
314.27701	6.4
337.27451	1.2
339.28946	100.0
340.29306	2.4
367.50562	0.4
415.68268	0.4
490.33414	0.6
508.27353	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49893	0.1
55.05254	0.3
55.05513	3.4
56.05037	1.0
57.03438	1.6
57.05822	0.9
57.06813	0.2
57.07079	2.2
58.07419	0.2
62.34056	0.1
67.05508	3.5
69.07072	5.7
69.99832	0.3
70.06598	3.2
71.05023	0.2
71.08646	1.3
72.08159	100.0
73.08488	0.7
79.05500	1.0
81.07063	4.2
83.04984	0.2
83.08619	3.7
85.06554	0.2
85.10187	0.7
86.09677	0.2
90.09199	4.0
93.07034	1.3
95.08611	4.2
97.06538	0.6
97.10183	2.3
98.23537	0.1
98.98456	0.3
99.08081	0.2
104.10770	0.3
104.64890	0.2
105.07016	0.3
107.08568	1.1
109.10172	1.9
111.08098	0.3
111.11726	0.5
113.09682	0.2
119.08572	0.2
121.10158	1.5
123.11713	0.4
125.09659	0.3
135.11693	1.1
137.13177	0.2
147.11687	0.2
149.13297	0.5
155.01064	0.3
163.14983	0.2
170.05788	11.7
195.00311	5.7
196.00633	0.9
244.09499	1.0
247.24164	0.2
265.25247	0.3
294.21338	0.2
313.27341	0.2
314.27713	1.4
337.27338	1.1
339.28937	28.2
340.29349	0.6
490.32965	3.2
508.26996	0.8
508.33951	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	508.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	13.2
56.74802	0.8
57.03439	6.1
57.07079	8.0
61.30290	0.8
67.05511	10.2
67.76623	0.8
69.07072	18.3
71.08636	6.3
71.46780	1.1
72.33023	0.8
79.05493	3.7
80.92878	0.9
81.07053	11.1
83.08627	11.4
85.06495	0.8
85.10197	1.7
89.05962	1.0
93.07066	5.3
95.08607	10.2
97.06577	1.2
97.10175	7.7
99.24484	1.0
107.08600	3.0
109.10165	3.8
111.11725	2.6
112.05093	5.5
121.10157	5.0
123.11700	1.3
124.81775	0.8
135.11685	3.1
137.13246	1.2
149.13228	1.4
176.99271	3.0
195.00302	8.2
196.00603	1.3
216.06381	1.4
290.16400	0.9
314.27640	2.1
336.32455	1.8
367.32065	100.0
368.32361	2.4
416.23117	1.1
508.27234	15.9
509.20361	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	508.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87558	0.2
55.05505	0.7
56.05036	0.3
57.03434	0.7
57.07079	0.3
58.06615	0.6
60.08163	5.4
62.06108	0.3
67.05506	1.7
68.05809	0.3
69.07069	0.8
69.63222	0.8
71.07374	3.0
72.08176	0.4
73.31061	0.2
79.05496	0.9
80.05842	0.3
81.07055	1.5
82.07388	0.3
83.08610	0.5
86.09705	30.2
91.05496	0.3
93.07040	0.7
95.08606	1.3
96.08948	0.3
97.10094	0.3
98.98462	3.6
104.10741	2.4
105.07024	0.3
107.08596	0.6
109.10162	0.5
119.08596	0.3
121.10152	0.6
125.00002	19.5
131.08498	0.2
131.74200	0.3
153.93652	0.2
155.01076	0.5
170.05760	0.4
178.34525	0.2
184.07336	100.0
185.07664	0.5
203.97063	0.2
273.81943	0.2
335.25580	0.4
336.26129	2.9
337.27286	1.0
339.28094	0.5
372.67078	0.2
490.26520	0.2
490.32877	1.0
508.18829	0.9
508.33966	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	508.3399
Annotation	PC(17:1(10Z)/0:0)
Peak:m/z	Relative Intensity
52.86591	0.4
55.05510	3.2
55.58778	0.3
56.05032	1.9
57.03444	1.0
57.07079	1.0
58.06610	1.7
60.08166	16.8
65.94228	0.4
67.05508	3.6
68.31487	0.4
69.07079	4.3
69.53024	1.6
70.06592	0.7
71.07379	6.2
71.08626	0.5
72.08159	2.4
73.08510	0.4
79.05485	2.3
81.07060	4.7
83.05012	0.4
83.08627	3.4
86.09712	53.1
93.07047	3.0
95.08614	3.6
95.23699	0.4
97.06470	0.6
97.10181	1.5
98.22743	0.8
98.98468	3.9
104.10748	96.5
105.11129	0.4
105.75314	0.4
107.08602	1.9
109.10156	1.7
121.10149	2.6
123.11704	0.7
125.00010	29.4
133.10170	0.4
135.11688	2.5
138.13884	0.4
138.20514	0.4
149.13281	0.8
163.01553	0.9
164.23532	0.4
184.07352	100.0
185.07579	0.6
197.64391	0.4
219.21121	1.6
224.46071	0.4
237.22160	4.1
255.23183	1.2
258.11075	1.2
311.25775	3.3
312.20691	0.5
323.30377	0.4
325.27325	1.7
329.26849	1.2
336.26202	1.5
337.27158	0.7
490.32938	9.3
508.34006	35.5
509.34213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87558	0.2
55.05505	0.7
56.05036	0.3
57.03434	0.7
57.07079	0.3
58.06615	0.6
60.08163	5.4
62.06108	0.3
67.05506	1.7
68.05809	0.3
69.07069	0.8
69.63222	0.8
71.07374	3.0
72.08176	0.4
73.31061	0.2
79.05496	0.9
80.05842	0.3
81.07055	1.5
82.07388	0.3
83.08610	0.5
86.09705	30.2
91.05496	0.3
93.07040	0.7
95.08606	1.3
96.08948	0.3
97.10094	0.3
98.98462	3.6
104.10741	2.4
105.07024	0.3
107.08596	0.6
109.10162	0.5
119.08596	0.3
121.10152	0.6
125.00002	19.5
131.08498	0.2
131.74200	0.3
153.93652	0.2
155.01076	0.5
170.05760	0.4
178.34525	0.2
184.07336	100.0
185.07664	0.5
203.97063	0.2
273.81943	0.2
335.25580	0.4
336.26129	2.9
337.27286	1.0
339.28094	0.5
372.67078	0.2
490.26520	0.2
490.32877	1.0
508.18829	0.9
508.33966	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	508.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.8
55.05512	30.1
57.03434	5.5
57.07071	11.2
60.08157	2.6
61.02927	7.5
67.05502	41.1
69.07069	44.3
69.48326	6.0
69.48712	3.0
71.04987	2.3
71.08630	6.5
75.04475	2.5
76.98743	1.6
79.05499	14.6
81.07059	53.5
83.08131	2.1
83.08620	37.1
85.02905	6.3
85.06548	2.8
85.10178	4.2
86.09734	8.3
91.03958	2.9
91.05495	2.3
93.07047	22.6
95.08600	38.0
96.65622	1.7
97.02879	2.9
97.06511	10.0
97.10168	25.0
98.23444	3.1
98.98507	1.7
99.08109	3.0
104.10744	14.8
107.08588	18.9
109.10162	20.5
111.08087	7.1
111.11720	7.2
113.09615	2.6
121.10150	50.7
123.11708	15.3
124.99992	2.6
125.09644	3.1
135.10747	3.3
135.11702	36.9
137.13261	10.8
139.11171	4.0
149.13289	13.7
153.12816	3.6
163.14806	6.5
177.16469	2.2
184.07321	16.1
209.69559	1.5
219.21083	48.4
223.43445	1.7
237.22134	100.0
238.22424	3.7
255.23206	21.0
311.25754	74.0
312.26172	4.1
324.28568	2.0
329.26886	45.7
330.27084	2.7
337.27457	3.9
356.65201	2.0
396.47620	1.8
409.20566	2.2
464.50870	2.0
508.33954	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	508.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77486	2.0
55.05515	33.6
57.03434	9.1
57.07078	15.4
59.74698	1.8
60.08173	7.5
61.02929	4.7
62.06100	2.9
67.05508	54.6
68.05845	3.7
69.07071	47.9
69.31689	11.5
70.38329	1.9
71.04988	2.5
71.07375	4.3
71.08628	9.5
72.08160	15.5
73.08472	2.0
74.84811	1.6
77.58279	1.8
79.05501	25.7
80.57348	1.7
81.07057	61.3
83.04998	2.9
83.08621	41.1
85.02906	6.4
85.10179	3.9
86.09707	27.2
90.16252	2.3
91.03982	5.4
91.05493	5.7
93.07045	28.9
95.08606	50.5
96.08952	2.3
97.02960	2.2
97.06548	9.2
97.10168	26.4
98.98463	10.8
104.10724	3.5
107.08605	19.1
109.10165	23.8
111.08092	6.6
111.11737	7.8
119.08566	3.4
121.10144	46.7
122.10477	2.8
123.11707	13.7
123.12479	2.4
125.00002	17.3
125.09585	3.0
135.11690	37.0
135.12630	2.7
137.13303	9.8
139.11218	3.6
139.19664	2.0
149.13260	16.3
153.12759	3.3
155.00989	4.7
161.13387	2.1
163.03926	5.5
163.14833	7.2
184.07355	92.0
207.06558	4.1
219.21089	48.4
220.21722	2.0
229.04851	2.6
237.22136	100.0
238.22504	2.7
255.23186	25.4
262.22757	2.5
286.00131	1.8
311.25815	99.5
312.26288	4.6
328.32108	2.2
329.26843	37.0
335.25967	4.1
336.26065	17.4
337.27411	34.1
346.84637	1.9
361.04370	2.0
473.31335	3.2
508.19214	15.9
508.35696	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	508.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47349	0.3
55.05507	1.6
56.05023	1.0
57.03430	0.6
57.07068	1.5
58.06590	1.1
60.08162	11.1
62.13235	0.2
63.72543	0.3
67.05501	1.4
68.89526	0.2
69.07072	2.0
69.26507	0.2
70.06563	0.3
71.07369	4.4
71.08617	0.9
71.46749	0.3
72.08148	2.3
75.04472	0.5
79.05469	0.5
81.07053	2.0
81.30417	0.3
83.08610	1.4
85.10177	0.6
86.09705	27.1
89.63815	0.2
90.34109	0.3
91.05478	0.4
93.07043	0.6
95.08582	1.3
95.72785	0.3
96.08918	0.3
97.10175	0.8
98.94430	0.3
98.98459	3.6
104.10738	100.0
105.07021	0.6
105.11057	0.9
107.08617	0.3
109.10187	0.7
111.11639	0.3
124.99999	15.3
155.01047	0.5
184.07335	15.2
185.07796	0.3
193.28427	0.3
195.00287	5.4
196.00647	1.1
197.00711	0.4
313.27390	0.3
314.27432	1.4
337.27325	2.9
339.29169	0.6
508.27658	1.7
508.37595	29.3
509.37814	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02579	0.5
69.56639	2.5
88.89160	0.6
91.05476	0.5
95.04944	0.5
104.17351	0.5
105.07063	0.7
107.05009	0.5
111.87090	0.5
112.00423	0.5
136.07585	0.5
177.05519	0.6
190.00310	0.5
196.20770	0.5
213.09814	0.8
243.11021	0.6
303.13010	1.2
321.14017	1.2
393.20908	11.6
449.20193	0.8
451.21487	29.4
452.21988	1.2
477.19934	1.5
509.22119	100.0
510.22415	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2363
Annotation	Difluprednate
Peak:m/z	Relative Intensity
53.83223	0.9
55.05505	1.4
55.70192	0.7
64.56840	0.8
66.27637	0.8
67.05495	1.7
67.82522	0.8
69.24741	4.8
77.67641	0.9
79.05491	1.6
81.07067	1.5
83.22912	1.0
91.05468	1.0
93.07044	2.7
95.08591	1.1
105.07056	1.0
107.08556	0.9
138.38428	0.9
142.69830	0.9
165.09065	1.1
166.09451	0.8
239.56610	1.0
287.03806	1.8
289.05402	3.3
310.13605	0.9
350.24142	1.6
405.22092	1.0
423.23395	3.2
447.23404	5.1
465.24570	23.1
485.50244	1.0
491.22598	31.2
492.22394	1.6
509.23599	100.0
510.23883	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	509.2364
Annotation	Milolide K
Peak:m/z	Relative Intensity
51.40565	0.7
55.05510	1.4
67.05497	1.2
69.07072	1.4
69.57604	3.2
79.05460	0.9
81.07066	3.8
90.50140	0.7
91.05509	1.0
93.07047	2.9
95.08613	2.3
101.00871	0.9
105.07047	1.7
107.08585	1.7
109.10152	1.5
119.01910	0.8
119.08560	1.7
133.10095	1.0
139.03886	0.7
143.01927	1.5
143.50822	0.8
145.82840	0.8
147.11739	0.8
203.05334	2.5
227.05318	1.6
243.04883	1.3
245.06360	8.4
261.18439	1.1
271.04324	1.9
287.03732	15.8
289.05292	100.0
290.05746	0.9
465.24643	13.8
465.30991	1.5
467.51627	0.8
491.22614	7.8
509.23575	95.0
510.23715	3.6
510.30545	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	509.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54158	0.3
55.05486	0.8
58.73793	0.4
64.77151	0.4
67.05479	1.1
67.81496	0.3
69.07034	1.5
69.34646	1.4
69.35049	0.7
79.05473	0.8
81.07066	2.7
83.08598	1.0
85.06525	0.5
91.05457	0.5
93.07005	1.5
95.04960	0.8
95.08585	1.8
97.02875	0.4
97.10147	0.7
99.08023	0.5
99.89874	0.4
101.00888	0.9
105.06999	0.7
107.08567	1.3
109.10110	1.6
119.01878	1.3
119.08549	0.4
121.10079	0.5
123.11642	0.4
126.99969	0.5
135.11638	0.7
143.01883	1.7
157.03479	0.6
159.50302	0.4
161.02960	1.4
167.07062	2.2
185.04251	0.5
187.00897	0.7
201.03685	1.4
203.05386	2.7
217.08621	1.4
227.05226	1.5
243.04774	5.5
243.17393	0.5
245.06343	5.5
245.18767	0.5
261.18304	2.8
269.67642	0.6
271.04202	1.7
287.03745	50.6
289.05301	57.4
290.05615	1.1
293.28253	0.5
311.29385	0.6
362.23764	0.6
383.14890	1.9
401.15988	1.1
423.23456	0.8
447.23584	4.6
465.24576	5.3
471.96506	0.4
491.22540	100.0
492.22842	3.6
509.23581	41.7
509.30603	25.8
510.23843	2.0
510.30609	2.6
524.61554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2724
Annotation	Asn Thr Phe Lys
Peak:m/z	Relative Intensity
50.17858	0.4
52.59866	0.3
69.72863	0.7
71.57207	0.3
83.79378	0.3
84.31124	0.3
87.44373	0.3
113.97942	0.3
120.61904	0.3
203.05232	0.5
207.10048	0.4
218.51939	0.3
285.22333	0.4
509.27222	100.0
510.27539	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	509.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.54562	0.5
63.59249	0.4
66.56308	0.4
70.88178	0.5
70.88515	0.6
72.17248	0.4
98.22678	0.5
100.72335	0.5
104.99316	0.5
109.65556	0.5
131.13489	0.5
150.38066	0.4
185.04224	0.5
207.67255	0.4
298.71964	0.5
509.27237	100.0
510.27505	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	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10839	0.8
55.05513	11.8
57.03439	7.0
57.07063	1.6
64.64937	0.9
65.03931	1.3
67.05503	29.2
69.06709	1.2
69.07068	17.5
71.04952	0.9
71.08626	1.6
79.05484	7.9
81.07056	26.5
83.08627	9.0
85.06567	1.0
86.23817	0.7
87.38623	0.7
91.05471	5.4
93.07048	7.0
95.04953	1.1
95.08599	20.2
97.06567	1.7
97.10152	3.4
98.98462	15.9
105.07029	2.6
105.41556	0.8
107.08588	4.8
109.10168	7.8
111.11738	1.1
119.08593	3.9
121.10148	3.0
123.11710	2.8
133.10135	2.6
135.11703	1.6
137.13228	1.1
147.11674	1.7
149.13316	1.1
151.14822	1.1
155.01024	3.9
161.13235	0.9
163.14857	1.1
173.02113	2.5
173.13159	0.8
175.14812	1.1
245.22606	0.9
263.23666	2.6
283.16397	0.9
299.01959	0.9
337.27347	100.0
338.27768	3.3
340.29407	1.4
402.50247	0.8
470.21960	0.9
473.26096	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	509.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.5
55.05257	1.0
55.05511	13.8
57.03228	0.6
57.03444	6.4
57.07067	2.2
59.33575	0.6
65.03931	1.3
67.05506	38.3
69.07071	14.1
69.33822	2.3
71.04984	0.9
79.05500	10.5
81.07059	33.0
83.04989	0.8
83.08619	6.7
85.06549	1.4
87.56811	0.6
91.05486	6.3
93.07047	10.0
93.99789	0.6
95.08610	27.6
97.06538	1.3
97.10162	4.0
98.98470	36.5
105.04466	1.0
105.07062	4.2
107.08581	6.5
109.06479	0.7
109.10167	9.6
111.08054	1.3
119.08586	3.7
121.10146	5.2
122.52231	0.6
123.08116	0.7
123.11720	2.7
125.09671	0.8
133.10156	2.5
135.11703	2.3
137.13271	2.0
147.11694	2.0
149.13223	1.7
151.14893	0.9
155.01042	16.4
161.13248	1.3
163.14821	1.4
173.02072	3.4
175.14810	1.0
211.03674	1.1
229.04779	2.3
244.12254	0.6
245.10213	0.6
245.22699	3.6
247.05742	1.8
249.18454	0.7
263.23755	3.5
280.90216	0.6
319.26364	1.3
337.27371	100.0
338.27829	3.5
473.26541	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	509.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	13.7
57.03440	7.2
57.07087	2.5
65.03943	1.1
67.05511	27.9
69.06721	1.0
69.07078	17.2
69.33466	3.6
71.08650	1.1
79.05489	7.7
81.07063	29.7
83.08621	9.8
86.09716	1.1
91.05486	4.4
93.07050	6.6
95.08616	22.1
97.06515	1.7
97.10206	2.8
97.47977	0.7
98.98478	16.4
104.10757	1.7
105.07051	3.4
107.08598	4.7
109.10153	8.9
111.11758	0.8
119.08607	3.7
121.10155	3.2
123.11724	2.6
129.91557	0.9
133.10168	2.2
135.11728	2.1
137.13258	1.8
147.11703	1.1
155.01054	3.0
161.13216	1.6
162.61404	0.8
163.14917	0.9
173.02162	2.4
175.14783	1.3
184.07420	3.2
191.83914	0.9
245.22847	1.2
263.23788	1.9
337.27383	100.0
338.27786	3.8
376.36664	0.8
491.33005	0.9
533.28656	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16303	1.7
55.01866	2.0
55.05514	10.7
57.03429	8.5
57.07079	4.8
65.03949	2.2
67.05503	30.3
69.07072	17.2
69.28093	11.2
72.08142	8.5
79.05482	8.1
81.07056	33.5
83.08631	9.9
86.62276	1.9
91.05471	6.5
93.07043	9.6
95.08602	23.6
97.06564	2.5
97.10207	4.5
98.22703	3.8
98.98475	19.6
100.07635	2.1
104.99305	2.6
105.07030	5.4
107.08614	5.9
108.24532	1.7
109.10149	7.9
119.08571	2.5
121.10093	4.1
123.11732	3.6
129.25702	1.7
133.10101	2.5
135.11635	2.7
155.01048	4.1
160.41441	2.4
170.05757	5.2
173.02078	3.9
175.14828	2.1
181.39024	1.8
184.07274	1.9
231.38832	1.9
245.22559	2.5
251.81697	1.8
263.23926	2.8
337.27356	100.0
339.28851	2.8
340.29181	11.2
449.77551	2.2
496.78867	2.2
509.17990	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	509.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08741	0.3
69.56622	0.3
69.56956	1.2
79.05545	0.3
81.07087	1.5
85.02893	0.6
91.05488	0.3
95.05001	0.3
95.08624	0.6
98.23502	0.4
103.60386	0.3
107.08595	0.6
109.10168	0.6
119.08595	0.5
121.10172	0.5
123.11881	0.3
133.10101	0.4
165.09116	2.1
166.15739	0.3
181.06461	0.7
203.05298	4.7
271.87106	0.3
289.05252	0.6
303.50378	0.4
491.29782	1.2
509.30890	100.0
510.31378	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	509.309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13587	0.7
50.87722	0.7
57.03458	0.8
62.18416	0.7
67.05500	1.4
67.49649	0.8
69.07052	1.4
70.53633	1.2
79.05499	1.0
81.07053	1.9
91.05460	1.1
93.07063	1.2
95.08639	0.9
105.07011	0.8
124.75067	0.7
190.16399	0.8
243.04747	1.0
245.06308	1.4
287.03754	9.6
289.05322	11.0
298.05698	0.8
350.24051	3.6
423.23550	0.8
465.24677	2.6
491.22513	18.4
491.29654	4.3
509.23749	10.8
509.30841	100.0
510.31247	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	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	1.6
67.05489	1.3
69.07075	0.7
69.92414	1.9
70.06591	0.9
79.05492	3.8
79.95034	0.6
81.03409	1.0
85.02870	1.2
87.44444	0.7
89.03917	6.1
91.05477	4.9
93.07041	1.4
95.04942	1.3
95.08590	1.1
98.23406	0.8
105.07025	2.5
107.04960	2.5
107.08599	7.2
109.02876	0.9
109.06503	1.5
111.06948	0.6
115.05444	2.2
117.03383	8.7
117.07020	3.0
120.68090	0.8
135.04417	16.3
135.08052	26.6
145.01720	0.7
145.02849	11.4
163.03902	100.0
163.07536	12.8
164.04279	1.0
164.44638	0.6
181.08589	6.3
226.21637	1.1
244.22685	1.5
251.10101	0.8
262.23709	4.3
295.04498	2.4
330.89078	0.7
492.30151	2.9
510.19373	4.0
510.29294	4.8
511.17725	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14765	2.1
55.01862	5.1
62.41185	2.3
65.03939	3.1
66.03794	2.3
74.63295	2.4
78.04710	2.9
78.49735	2.5
79.05495	6.0
83.61572	2.5
86.09726	2.3
87.78136	2.3
91.05486	39.5
91.86129	2.3
93.03407	7.3
93.06441	1.9
93.07058	5.7
95.04970	5.8
103.05482	12.6
105.03403	7.1
105.07023	3.3
106.04181	19.5
107.04960	8.3
109.06533	4.2
115.05439	3.8
118.04168	3.0
119.04965	36.6
121.06519	25.7
123.04386	3.3
123.08097	5.2
125.05993	7.4
128.06271	2.3
131.04942	10.2
132.05681	3.5
133.06496	6.6
134.03659	5.1
137.05962	6.3
145.06462	2.7
147.04431	9.0
147.08066	5.5
148.05200	2.7
149.05994	33.6
151.07559	21.9
153.09109	7.3
159.07988	4.6
161.05992	35.9
162.06781	8.2
163.07484	4.1
165.05409	4.4
167.07034	44.6
167.08342	4.3
175.07565	9.3
177.05470	27.9
179.07014	21.8
180.07841	9.0
181.08603	16.1
187.07541	14.6
190.06236	4.8
191.07007	18.7
192.07854	9.6
205.08594	41.8
209.08098	100.0
218.06993	2.3
223.04276	8.7
235.07686	3.0
235.09689	17.7
258.61432	2.8
341.13736	6.3
359.14828	3.9
371.14767	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	510.18
Annotation	Unknow
Peak:m/z	Relative Intensity
63.29899	3.9
65.03959	5.2
67.05521	6.5
68.53197	3.5
68.56567	3.0
69.07065	5.0
69.46998	3.4
69.85920	3.2
71.04984	6.5
71.46251	4.1
79.05510	4.4
81.07079	10.9
82.62982	3.9
85.02911	11.0
91.05484	46.7
93.03397	8.6
93.07037	8.3
93.41493	3.9
95.08623	10.2
103.05486	5.9
105.07049	4.5
106.04167	13.3
107.03853	3.8
107.04964	5.8
107.08583	4.4
108.05746	4.5
109.02898	8.0
114.22124	3.3
119.04952	23.5
121.06540	17.3
125.05969	3.7
129.05479	4.1
129.30551	3.5
134.03653	4.7
136.05206	26.6
137.06071	4.4
137.13120	3.4
138.13766	3.7
148.75032	4.3
149.05998	22.4
151.07550	43.8
153.09094	7.6
167.07040	10.9
177.05475	12.2
179.07043	100.0
179.08641	5.3
181.08611	13.8
209.08095	74.6
209.15280	3.6
217.08621	5.3
223.04341	5.7
281.13843	5.1
313.16464	5.5
339.12085	5.3
357.13293	19.2
433.62137	4.1
471.75403	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	510.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	2.7
56.93693	2.3
63.74246	2.5
69.22899	12.3
78.09454	2.4
79.05515	3.1
91.05495	3.2
100.11254	7.1
107.04973	8.0
123.04463	4.1
129.07025	3.1
131.08594	3.9
133.06490	2.3
144.05646	3.5
156.05740	7.5
157.06480	3.3
159.08087	9.2
167.07040	35.0
181.03682	2.3
182.15431	3.2
187.07545	9.5
201.03918	3.6
202.06352	3.8
208.08997	2.4
217.08568	26.6
219.08128	3.5
219.10191	6.0
229.08736	3.7
231.08029	5.2
233.09569	2.7
245.09607	2.7
246.06541	2.4
247.07498	3.6
247.09720	13.2
248.08351	6.2
249.09027	2.6
256.33566	2.3
261.09052	2.4
262.09860	3.0
263.10638	5.6
264.07901	3.0
265.08594	6.1
275.07211	3.5
276.07764	4.9
279.10275	5.7
291.10205	6.1
292.07288	2.1
293.08188	3.9
307.09827	5.6
308.10327	4.4
319.09525	3.3
321.07788	3.4
323.12671	4.8
331.11307	2.7
336.09650	3.1
337.10660	3.2
340.13184	2.8
351.12384	12.7
352.12756	2.7
353.10208	4.8
363.24225	3.7
368.12582	9.5
371.14749	14.0
381.24722	3.2
383.14899	100.0
401.15878	13.5
443.16748	12.5
509.29138	4.6
509.40436	5.3
510.29834	59.2
510.41113	4.0
518.20190	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	510.247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.8
55.05508	3.7
57.03448	1.6
67.05508	5.1
69.07069	3.7
69.67687	3.8
69.68043	1.0
79.05496	4.1
81.07055	19.5
83.04987	3.3
83.08595	1.8
85.70765	1.0
86.69478	0.9
91.05486	3.5
91.73016	1.1
93.07036	4.4
95.08606	5.3
98.22723	1.3
105.07037	2.1
107.08631	4.8
109.06525	8.3
109.10178	2.4
111.04448	16.8
111.08063	1.3
119.08569	3.0
121.10168	2.9
123.08035	1.8
123.11716	1.9
125.05978	4.7
130.84460	1.0
131.08549	2.3
133.10147	4.2
135.08061	3.1
135.11707	4.7
137.05984	100.0
137.13264	1.4
143.08542	1.0
145.10098	1.2
147.08022	2.0
147.11638	7.2
149.09584	4.9
149.13286	1.3
151.07585	2.8
151.11191	1.1
157.10210	1.1
159.11792	1.3
161.09625	6.6
161.13263	2.8
162.43311	1.0
163.11172	3.6
165.09143	2.9
175.11252	4.9
179.10579	1.6
181.10155	2.4
184.07494	0.9
189.12740	2.0
193.12206	1.7
203.17967	6.2
213.16325	1.5
221.19109	1.4
231.17442	8.6
239.83366	1.1
241.16034	1.9
249.18494	7.6
277.17999	48.9
295.19028	10.9
320.22238	3.3
334.58130	1.1
351.21667	70.8
369.22702	39.2
369.27356	2.2
370.23138	1.7
431.18237	2.3
492.23215	4.2
492.29620	1.3
510.24252	1.8
510.30960	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	510.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14270	2.2
51.02404	2.2
51.03628	2.0
55.01890	3.2
55.05502	11.0
55.84380	2.3
57.03426	3.0
66.55273	2.8
67.05500	5.0
69.03429	16.1
69.07069	3.7
70.06554	2.4
71.02338	3.4
71.04996	4.2
71.37367	2.4
79.05494	5.6
81.03436	12.0
81.07072	13.6
83.04975	12.3
83.08631	12.0
85.02908	26.1
85.06556	3.0
87.00851	12.8
89.03934	2.6
91.05478	5.4
93.07078	8.7
95.04975	14.7
95.08616	6.8
97.02908	6.8
97.06541	5.5
99.04463	10.4
105.01901	14.7
105.06415	2.7
105.07034	13.6
107.04975	2.8
107.08595	16.7
109.02872	11.3
109.06523	27.3
109.10175	16.9
111.08060	4.2
116.40756	2.2
117.03399	2.4
119.08606	7.3
121.10162	18.7
123.08067	3.4
123.11694	4.3
125.09657	4.8
127.03921	23.4
128.13730	2.5
131.08597	7.2
133.10150	30.7
135.04431	9.3
135.08025	4.2
135.11725	6.5
139.11208	8.1
145.02846	7.9
145.05019	7.9
147.11700	6.1
149.13252	10.6
151.11180	14.5
153.09187	11.2
158.10979	3.4
159.02945	5.3
163.03923	39.9
163.14853	5.2
167.14288	14.0
173.13287	19.9
177.05544	4.6
181.04999	14.4
191.14336	34.8
209.15375	100.0
213.04012	2.9
227.16481	12.3
231.05064	4.5
313.05176	3.3
359.27997	2.1
457.20544	2.8
510.18204	6.2
510.25543	4.1
511.17764	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	510.2836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00185	4.0
50.50755	4.1
55.05517	10.4
57.03444	6.1
67.05512	23.0
68.10281	4.1
69.07062	8.3
79.05491	20.2
81.07055	31.5
82.75594	4.0
91.05493	12.9
93.07056	18.4
95.08592	29.7
104.58727	4.6
105.07047	4.8
107.08577	7.7
109.10143	6.9
112.68531	3.8
121.10172	7.9
135.11740	5.3
140.99452	9.1
194.68898	4.7
254.23453	4.6
335.25784	100.0
335.29578	7.5
501.79919	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	510.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	15.0
57.03445	7.5
57.07076	4.1
62.06100	3.6
67.05508	38.2
69.07075	13.7
71.08639	22.3
79.05492	25.6
81.07062	30.7
83.04992	5.7
83.08617	13.5
83.71085	3.2
88.16232	3.6
91.05484	16.3
93.07046	27.8
95.04992	8.4
95.08609	15.5
97.06555	4.5
97.10178	10.1
98.98501	4.3
99.08100	11.5
105.07046	15.8
107.08624	17.4
109.06582	3.2
109.10166	13.3
111.01495	3.6
115.07755	3.5
119.08602	12.6
121.10135	5.4
121.87589	3.6
125.09662	7.1
133.10150	8.2
135.11681	7.5
137.09604	3.5
139.39238	3.6
142.12296	3.5
145.10144	4.8
147.11685	5.2
149.13263	5.4
151.11188	11.4
157.93144	3.1
159.11702	4.5
161.13283	5.7
163.11127	6.7
165.82509	3.4
173.11868	4.6
173.13324	3.6
179.14323	6.4
208.04327	7.2
220.17004	3.7
227.12659	5.1
229.14394	10.6
259.20551	4.8
269.17426	17.8
277.21606	19.3
311.33066	3.4
320.26035	3.7
333.24222	5.7
351.25323	100.0
352.25830	5.8
369.26431	34.1
392.18225	10.0
431.22116	7.7
474.26230	9.4
492.27170	7.4
495.07739	4.1
510.24011	13.5
511.24829	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	510.3046
Annotation	NKH477
Peak:m/z	Relative Intensity
55.04753	0.4
56.05045	0.6
63.99324	0.4
67.05514	0.5
70.67017	0.8
72.08158	0.6
79.05545	0.5
80.05894	0.4
81.07056	1.0
93.07018	0.4
95.08624	1.0
96.10016	0.4
107.08579	0.6
116.59938	0.4
119.08601	0.5
137.09636	0.7
152.03154	2.6
165.09111	8.0
167.07057	1.1
170.04240	2.6
187.86754	0.4
192.67693	0.5
217.08598	0.6
276.84497	0.4
289.05460	0.7
345.24243	0.5
351.24759	0.5
362.26715	2.7
363.24902	4.4
381.26086	4.7
383.14905	2.5
480.29044	1.4
492.29486	3.5
510.30417	100.0
511.30676	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3557
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05507	1.2
56.05032	1.1
57.03428	0.5
57.07074	2.9
58.06573	1.6
59.07364	0.4
60.08162	15.9
67.05503	3.1
69.07069	1.7
69.68445	0.8
70.06596	0.3
71.07375	4.9
71.08632	2.3
79.05493	0.5
81.07053	2.5
82.07412	0.5
83.04958	0.3
83.08634	0.8
85.10193	0.8
86.09705	46.7
87.10013	0.5
89.06025	0.4
91.05482	0.4
93.07029	0.8
95.08619	2.4
96.08959	0.6
97.10161	0.7
98.98457	5.6
104.10741	100.0
105.11053	0.5
107.08627	0.4
108.08933	0.4
109.10184	0.8
109.40253	0.3
111.67287	0.4
120.65500	0.4
124.99999	27.1
155.01048	1.1
163.01530	0.8
173.47081	0.3
181.02693	0.5
184.07338	95.7
185.07719	0.7
229.04660	0.3
258.11090	1.4
313.27307	0.6
318.05856	0.4
327.28876	1.6
336.37674	0.3
337.27347	1.2
338.27731	7.6
433.27228	0.4
474.26816	0.4
492.27243	0.5
492.34479	9.1
510.35553	39.6
511.36011	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.03429	1.0
57.07067	1.2
58.06341	0.3
58.06607	0.8
60.08169	6.7
65.99329	0.3
66.86658	0.3
67.05498	1.6
68.05823	0.3
69.07059	1.4
70.06595	0.5
71.07375	2.8
71.08630	0.7
71.96368	0.3
72.08147	1.5
73.08496	0.3
79.05476	0.5
81.07063	2.3
82.07368	0.6
83.08627	0.8
85.10175	0.4
86.09710	30.4
86.71463	0.3
89.06045	0.4
93.07044	0.7
95.08616	1.8
96.08928	0.3
97.10175	0.4
97.11131	0.3
98.98476	4.3
104.10746	8.1
107.08597	0.4
109.10152	0.5
125.00007	20.2
143.01089	0.4
155.01013	0.5
161.13181	0.4
161.39203	0.3
170.05832	0.4
184.07347	100.0
185.07707	0.8
185.60448	0.4
337.27618	0.6
338.27716	4.5
339.29004	0.5
340.29266	0.5
341.29855	0.4
425.46542	0.4
474.27100	0.4
489.14343	0.4
492.34427	1.5
510.35461	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	510.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	10.5
57.03440	6.4
57.07079	65.1
57.07363	3.3
60.08162	4.0
61.02921	3.7
62.06104	2.7
67.05500	18.8
69.03428	4.8
69.07068	16.6
69.79265	3.7
69.79612	2.4
71.08633	46.7
75.04491	2.0
79.05473	2.1
81.03421	3.0
81.07060	29.7
83.08613	19.6
85.02912	11.8
85.10183	30.4
86.09698	6.4
89.06054	1.7
95.08612	37.8
97.02895	7.1
97.10184	12.7
104.10746	20.7
109.02883	5.3
109.10158	21.9
123.11720	8.8
125.00029	3.9
125.13304	2.0
127.03940	6.3
137.13228	3.7
145.05008	5.6
176.10281	1.8
176.12041	1.9
184.07353	15.4
195.00243	4.4
196.00516	3.0
197.00726	2.7
239.23714	47.7
240.24104	2.1
257.24765	5.4
313.27380	100.0
314.27917	4.3
329.26736	2.5
331.28442	21.2
339.28824	14.5
383.27875	15.7
401.28955	27.3
481.33585	2.6
510.20911	19.5
510.27954	3.4
510.35321	5.8
511.19983	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	511.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.9
56.96582	0.6
59.45418	0.5
63.59690	0.5
69.03432	0.7
70.59790	0.5
70.60123	0.8
71.66331	0.6
79.05488	0.5
83.08612	3.4
85.02887	0.9
91.05492	0.8
93.37060	0.5
94.45602	0.5
95.01100	0.6
95.08592	1.2
97.02895	1.3
107.08596	2.1
109.02665	0.7
120.08092	0.7
121.10195	1.2
123.08077	0.8
125.06010	0.5
125.09689	1.1
135.11710	0.8
147.04446	0.6
153.12752	1.0
162.06464	0.8
169.04791	1.6
181.12302	1.0
185.04224	0.9
201.03717	2.3
205.08374	7.7
223.13245	0.6
227.05232	0.8
243.04819	1.5
245.11510	6.0
256.53931	0.5
263.12476	4.5
287.03668	1.2
289.05621	0.6
291.12097	2.0
311.25198	0.5
327.14258	1.0
365.15866	0.8
369.15540	0.7
397.18213	0.7
407.17078	1.0
425.17905	11.2
449.18002	0.6
467.18887	42.7
468.19119	1.4
511.17816	100.0
511.40881	1.3
512.17950	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84398	0.4
69.12413	1.9
70.06590	0.5
85.02905	0.4
86.09685	0.5
91.03936	0.4
91.05477	0.6
93.07037	0.8
96.18962	0.4
97.84318	0.4
98.23425	1.0
98.97604	1.4
99.39368	0.4
105.03128	0.7
105.07032	1.0
107.08598	0.9
116.98683	0.4
121.10146	0.6
127.61152	0.4
131.08566	2.7
144.07863	0.4
145.10138	1.7
149.09627	1.0
163.11198	0.7
173.09476	0.5
185.04294	0.6
203.05336	1.3
232.74869	0.4
241.07289	0.6
245.06284	2.7
245.11546	1.5
263.09714	0.6
263.12466	5.8
281.10626	0.7
289.05319	4.6
295.20667	0.6
305.10684	1.3
305.20840	0.4
313.21649	0.5
323.11481	0.5
331.22809	1.1
407.17117	0.6
425.18326	5.7
467.18869	24.5
468.19128	0.8
511.17847	100.0
512.18140	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	511.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.9
70.36340	0.9
73.86833	0.9
79.05518	1.4
81.07047	1.1
81.42035	0.8
83.08636	1.1
84.59823	0.9
85.02940	0.9
93.07044	1.1
95.08606	1.2
98.97601	1.3
100.11245	1.0
102.75102	1.0
105.07053	1.8
107.08595	1.8
113.63539	1.1
119.08627	1.0
122.67722	0.8
125.09587	1.2
133.06450	1.2
137.09602	1.2
148.63016	0.9
161.05984	2.0
163.11229	1.0
178.06207	1.1
190.01590	1.1
193.08632	1.6
205.08409	3.7
234.98988	1.2
245.11542	2.6
263.12585	7.8
287.03824	1.4
289.05292	1.1
291.12201	1.1
305.08417	1.1
407.16626	2.1
425.12543	5.6
425.17880	14.8
467.18890	64.7
468.19022	1.5
511.17749	100.0
512.18005	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	511.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34633	0.4
61.89658	0.4
70.12371	0.9
85.06740	0.4
98.22689	0.4
119.04932	0.5
121.51558	0.3
123.95137	0.4
134.06027	0.5
141.52243	0.3
145.06456	0.5
146.04906	0.5
146.06013	8.3
161.07100	0.9
172.06366	0.9
174.09137	1.5
177.02063	0.3
188.03403	0.3
189.06566	1.2
199.08699	1.6
200.09451	100.0
201.09821	1.8
217.09729	99.2
218.10095	1.3
279.70822	0.3
306.60696	0.5
379.15005	69.7
380.15277	1.3
402.56583	0.4
407.20056	0.3
421.16028	0.8
475.17239	0.4
511.19250	40.8
512.19507	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
64.70192	0.5
67.05512	0.6
76.95744	0.5
85.33957	0.7
88.75887	0.6
102.19401	0.7
148.15178	0.6
250.74136	0.7
290.03918	0.6
323.97629	0.7
353.48880	0.6
511.28806	100.0
512.29407	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	511.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43346	0.4
68.71392	0.3
69.46541	1.6
81.07047	0.5
86.22011	0.4
97.83483	0.3
98.22746	0.8
145.04808	0.5
169.84654	0.4
184.41920	0.3
203.05441	0.5
259.07996	0.5
391.24615	1.7
427.44168	0.4
455.21570	0.9
464.63516	0.3
511.28809	100.0
512.29266	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	511.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
54.32232	0.5
55.05264	0.8
55.05516	14.6
57.03448	7.5
57.07077	6.5
63.83570	0.5
67.05505	9.8
69.07072	18.4
69.37423	2.9
71.04998	0.9
71.08640	3.0
71.47253	0.6
72.08146	2.5
75.04098	0.6
79.05501	4.4
81.07059	12.3
83.08626	10.9
85.06536	0.6
85.10182	1.1
86.12022	0.6
91.05463	1.1
93.07040	6.0
95.08614	10.9
97.06532	2.5
97.10180	8.7
98.98473	7.6
105.07031	0.6
107.08600	4.2
109.10168	5.0
111.08090	1.7
111.11724	2.3
119.04206	0.6
121.10159	6.1
123.11713	1.2
135.11700	4.6
149.13309	1.5
151.14803	0.8
155.01035	1.9
163.14816	0.8
173.02045	0.8
180.79033	0.6
185.70767	0.6
247.05809	0.9
247.24232	1.0
265.25296	2.0
339.28940	100.0
340.29218	3.3
342.30466	0.8
475.28348	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.1
65.03946	3.1
67.05494	3.5
70.77915	3.6
70.97579	2.6
75.04460	4.6
79.05510	5.7
81.03401	3.2
85.02908	4.8
86.09676	3.1
87.89146	3.0
91.05494	17.1
93.03404	11.9
93.07054	7.4
95.04983	6.6
95.08585	3.0
97.06537	3.5
103.05453	8.9
105.07037	16.1
106.04179	28.5
107.04972	4.0
109.06573	3.4
115.05472	8.4
117.07028	5.4
118.04114	3.5
121.06509	29.2
123.04361	2.9
125.06001	8.2
131.04893	4.1
133.06491	11.3
133.10225	3.2
134.03651	5.6
137.06012	4.8
138.05466	5.2
139.07562	3.4
144.05713	11.8
145.02774	3.0
145.06488	6.1
147.04433	5.9
149.05974	48.3
151.02147	10.5
151.07611	2.9
153.09163	13.3
161.01636	4.0
161.05983	36.8
162.01303	8.8
163.07484	4.0
167.07043	17.0
173.06052	13.4
177.03752	11.2
177.05486	22.2
179.01625	10.9
181.08624	19.6
189.05411	15.4
190.00821	14.5
191.07028	11.0
192.07863	2.6
193.08626	29.4
204.07729	13.6
205.03210	12.8
205.08647	7.6
208.01891	9.2
209.08087	100.0
210.08578	3.3
211.04329	5.4
221.08044	6.2
223.04245	99.2
223.06429	6.2
237.05823	32.0
267.06851	56.6
310.06537	3.0
427.14069	8.7
483.30975	6.5
512.28217	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	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01871	1.2
55.05502	1.7
57.03431	0.8
57.07066	1.1
59.05002	0.4
59.56985	0.3
61.02918	1.2
61.41087	0.4
65.03934	0.4
67.05506	5.0
69.03438	2.9
69.07069	12.3
69.43022	0.5
69.43414	1.0
71.04986	0.9
73.02926	0.5
74.15553	0.3
77.03931	0.6
79.05492	7.3
79.96304	0.3
81.03417	1.4
81.07054	9.5
83.04973	0.9
83.08591	0.4
85.02907	14.3
85.06539	2.2
87.04448	0.7
91.03965	0.8
91.05473	4.6
93.07043	25.1
94.07371	0.4
95.04960	1.8
95.08601	5.9
97.02905	3.7
97.06530	100.0
98.06864	0.9
98.22748	0.7
99.04450	0.6
105.04543	0.9
105.07037	1.9
107.08594	22.5
108.08933	0.3
109.02891	1.2
109.06526	1.1
109.10157	10.8
119.08562	1.0
121.06563	0.3
121.10159	0.5
123.11719	0.9
127.03912	2.2
133.04951	0.4
133.10220	0.4
135.11691	22.5
136.11955	0.3
137.13254	4.1
145.04948	4.9
149.13428	0.3
151.11203	0.5
153.12741	29.1
154.13065	0.4
159.11728	0.4
163.05966	2.1
165.12741	0.9
171.13820	3.5
174.98203	0.3
179.05479	0.4
213.63397	0.3
279.15909	0.6
279.89505	0.3
297.16852	0.5
315.18130	0.7
325.11252	0.4
370.16031	0.4
465.59637	0.4
470.03809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.01866	1.6
55.05511	4.2
57.03441	2.6
59.05002	1.6
61.02929	3.1
67.05510	5.7
69.03439	7.8
69.07066	4.1
70.95534	1.7
71.05012	1.1
73.02943	1.7
79.05499	10.6
81.03433	4.2
81.07062	7.1
81.85246	0.9
83.04972	2.9
85.02906	43.9
87.04476	1.3
91.03935	1.5
91.05486	15.9
93.07047	76.8
95.04972	4.9
95.08603	16.6
96.82228	0.9
97.02891	9.8
97.06557	2.7
97.56558	1.0
99.04462	2.2
105.07017	6.2
107.08597	98.4
109.02877	3.4
109.06529	2.5
109.10148	4.4
113.67522	0.9
119.06086	2.4
119.08597	1.5
121.10165	1.2
125.87434	0.9
127.03905	8.3
133.10173	1.3
135.11696	100.0
136.12003	1.2
137.05936	1.3
145.04956	16.3
145.79637	1.0
147.04401	1.9
147.11710	1.1
153.12747	25.5
163.06039	7.6
165.12804	1.2
209.41151	1.0
297.17105	1.4
325.11325	1.9
414.48022	0.9
418.16763	1.0
436.59018	1.0
512.18848	1.3
512.24609	8.8
513.19006	3.8
538.29730	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	9.5
57.03453	6.9
57.07080	7.7
59.70024	1.2
64.01070	1.2
67.05511	33.2
69.07067	15.3
70.06598	4.6
71.08633	3.6
75.76605	1.2
79.05502	6.3
81.07059	25.1
83.08636	5.5
85.10206	2.8
88.07644	7.3
89.06041	3.8
91.05494	4.7
93.07045	7.6
95.08610	100.0
96.08909	1.5
97.06559	3.6
97.10171	3.6
102.09200	5.7
103.23608	1.2
105.07070	3.1
107.08592	2.9
109.10158	7.7
119.08598	2.4
121.10162	3.8
123.08079	2.9
123.11717	3.8
133.08664	2.4
133.10143	2.8
134.05446	1.5
135.11732	2.1
141.09128	3.8
155.01454	1.3
159.10172	10.5
163.14827	1.5
175.14764	1.5
177.11394	1.6
215.12799	51.0
228.23241	2.2
245.22717	1.8
256.26334	21.0
263.23602	2.9
274.27454	2.6
283.26331	21.7
306.85297	1.4
337.27383	44.6
338.27863	2.0
403.73166	1.4
435.97369	1.3
477.35782	33.5
478.35721	2.3
512.50446	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0435
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84483	18.8
69.34398	100.0
70.86945	23.3
76.50101	24.9
102.85626	19.7
229.42554	24.4
235.02173	20.3
253.24265	24.4
348.23459	22.2
351.01273	70.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1584
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41076	0.4
54.32581	0.3
69.41827	1.6
70.06586	0.6
115.31358	0.3
129.98613	0.3
226.32106	0.4
240.23990	0.4
310.84842	0.4
314.80585	0.4
338.96442	0.4
381.11554	11.5
498.13187	0.5
513.15802	100.0
514.16187	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	513.175
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	16.3
57.24088	1.9
58.64832	1.8
69.85400	3.8
69.85736	2.2
72.08144	2.5
84.96031	6.7
95.04973	18.0
97.54285	2.0
98.97585	40.5
110.97580	6.9
112.99079	3.2
116.98627	12.2
127.00750	4.0
128.98679	4.9
135.08025	2.6
146.99634	2.9
158.99692	7.4
170.99673	2.5
195.06947	3.0
213.07985	4.5
219.01764	8.4
221.08469	5.1
237.02806	12.3
239.09540	10.0
247.06342	2.5
247.10059	6.3
257.10645	3.5
263.09488	4.9
265.11075	15.2
281.10568	4.5
283.12155	12.6
289.10986	4.1
301.13156	6.2
307.12152	11.4
311.11789	3.0
311.92062	2.4
313.78925	2.2
325.13184	13.9
329.12524	3.2
343.14355	5.0
346.21436	2.5
367.14297	3.5
409.15207	3.7
427.16425	100.0
428.16898	4.3
440.25415	2.4
445.17529	3.6
449.23532	9.7
469.17410	25.6
513.17310	98.5
513.23505	6.2
514.17383	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	513.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07071	1.3
58.06585	0.5
63.23328	0.3
70.06578	1.2
70.48273	0.3
72.03884	0.3
82.15376	0.3
86.06078	0.4
88.07617	1.0
91.05492	0.5
98.22689	0.5
102.09181	0.9
106.12833	0.3
115.52721	0.3
190.75151	0.3
254.08549	0.3
256.26328	2.3
257.26767	0.4
283.26355	2.6
284.26761	0.6
329.28210	0.4
419.38531	0.4
453.17737	0.4
512.50403	3.7
513.30322	100.0
513.50391	2.9
514.23029	1.8
514.30658	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	513.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64692	0.2
56.76021	0.2
57.07069	0.7
58.02220	0.2
58.06591	0.7
69.27166	1.3
70.06591	0.8
71.08630	0.4
75.88185	0.2
81.07042	0.4
86.06061	2.3
86.09689	0.3
88.07623	0.7
98.22710	0.5
100.57226	0.2
102.09183	0.4
104.10731	1.6
105.11085	0.4
109.10186	0.3
184.07288	0.3
185.04175	0.4
241.77190	0.2
256.26276	1.6
257.26880	0.4
283.26282	1.9
284.26718	0.5
298.96667	0.3
305.98276	0.3
313.27341	0.7
512.50385	2.4
513.30310	100.0
514.30664	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	513.304
Annotation	Platenolide B mycarose
Peak:m/z	Relative Intensity
55.14084	0.3
69.26742	1.6
70.09322	0.2
75.98529	0.3
79.65018	0.3
83.08648	0.3
83.74660	0.3
106.29717	0.2
112.01568	0.3
170.81099	0.3
203.05363	1.5
256.26358	0.4
259.08005	0.8
283.26376	0.6
512.50330	1.0
513.30377	100.0
514.30688	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	513.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.3
55.05502	8.3
57.03438	5.8
57.07061	2.6
61.02924	14.7
66.91741	1.7
67.05501	25.4
69.03424	3.5
69.07052	9.5
73.02915	4.4
73.65426	1.5
79.05494	33.8
81.03411	3.5
81.07057	29.5
83.08631	5.3
85.02899	12.4
91.03943	5.7
91.05475	28.7
93.07040	46.8
95.04977	3.0
95.08602	22.8
97.02929	4.2
97.06512	2.0
99.08118	2.3
105.07023	30.0
107.08588	27.2
109.10165	8.0
111.08076	1.8
117.07030	7.6
119.08591	28.3
121.10145	24.1
123.11688	3.7
127.03826	1.7
128.38731	1.7
129.06996	7.5
131.08578	16.8
133.10117	25.5
135.08084	2.2
135.11699	28.2
143.08566	7.0
145.10114	15.7
147.11700	24.7
149.09651	1.7
149.13261	13.1
157.10129	7.8
159.11696	12.6
161.13255	20.4
163.11214	2.1
163.14810	6.6
169.10114	2.2
171.11711	9.0
173.13237	8.4
175.11380	1.7
175.14827	11.4
185.13277	9.2
187.14854	3.9
199.14873	5.6
203.14253	2.1
213.16483	2.2
217.19478	2.6
231.17445	2.1
231.21060	4.0
237.49402	1.6
241.19518	25.8
242.70659	1.8
259.20578	58.0
261.22150	2.3
271.20828	2.0
277.21683	7.9
301.21469	1.8
333.24258	8.3
349.23721	3.2
351.25296	100.0
363.25162	2.1
367.22842	3.5
375.25342	2.7
441.26196	6.3
459.27451	4.5
495.29520	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	14.1
57.03430	10.1
61.02919	13.4
67.05516	30.0
69.03426	4.6
69.07064	10.2
71.45488	3.6
75.63987	3.5
79.05489	37.0
81.07060	41.1
85.02919	12.9
85.06538	3.6
86.80278	3.5
91.03964	7.8
91.05495	37.5
91.75229	3.7
93.07047	55.5
95.04964	8.7
95.08609	21.8
97.02898	6.6
105.07040	31.3
107.08602	39.1
109.10164	9.6
117.07024	12.0
119.08585	25.9
120.96658	5.6
121.10126	22.8
129.07036	6.8
131.08553	14.6
133.10118	32.2
135.11691	29.5
143.08546	6.8
145.10133	11.8
147.11693	24.8
149.13277	17.0
154.18901	3.8
157.10196	6.0
159.11708	14.6
161.13286	17.6
163.14751	4.8
164.00821	5.1
171.11665	13.8
173.13263	4.8
175.14848	11.9
185.13220	8.0
191.74100	4.1
236.10121	3.4
241.19438	27.4
259.20590	53.7
277.21698	10.3
283.26270	4.0
333.24203	5.3
351.25320	100.0
352.25681	3.5
359.88803	4.0
363.25436	5.1
372.23236	3.9
373.23520	9.0
441.26135	6.4
466.83463	4.1
470.19485	3.9
471.21213	14.9
477.28262	3.7
495.29620	5.4
514.25397	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	513.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.8
53.03938	6.9
55.01866	7.2
55.05514	29.3
57.03435	35.1
57.07062	4.1
59.04990	2.9
60.04533	3.3
61.02933	14.3
64.07379	1.8
65.03942	4.7
65.63379	1.6
65.94643	1.6
67.05505	65.0
69.03430	27.4
69.07071	21.1
71.01362	2.9
71.04987	18.6
73.02919	10.8
75.04462	2.0
77.03883	1.9
79.05493	63.2
81.03426	26.3
81.07059	100.0
82.06572	2.3
83.04990	11.5
83.08616	14.8
84.04506	13.7
85.02902	29.2
85.06558	3.9
86.06050	3.3
86.29214	1.7
87.04479	2.4
91.03963	7.9
91.05478	54.3
93.07047	84.8
95.04971	13.5
95.08607	72.0
96.04486	5.4
97.02890	28.3
97.06521	9.5
97.10163	7.1
99.04467	7.3
99.08072	5.5
101.02375	7.9
103.03928	4.6
103.05492	2.3
105.04523	4.2
105.07030	54.4
106.01526	1.9
107.04959	2.9
107.08596	56.1
108.08190	2.3
109.02882	12.1
109.06514	9.3
109.10160	27.1
111.04429	3.9
111.08092	3.2
115.03933	4.4
115.05447	2.2
117.07024	16.8
119.08579	44.4
121.06506	3.8
121.09279	2.7
121.10151	47.1
123.08092	6.7
123.11730	7.1
125.09635	5.5
126.05526	22.0
127.03876	11.6
129.05498	4.9
129.06972	10.1
129.85014	1.8
131.08577	30.7
132.08965	1.9
133.10139	35.4
135.08093	2.5
135.11690	32.7
136.11978	1.6
137.09656	3.9
138.05505	23.4
139.11168	2.6
143.08559	7.5
144.06549	5.6
145.04922	4.2
145.10115	25.4
146.98233	2.4
147.11696	32.0
149.09619	5.9
149.13249	19.4
151.11186	4.9
155.08514	3.0
157.10083	8.8
159.11684	23.1
161.09619	3.5
161.13252	18.7
163.11182	4.5
163.14799	5.9
165.12770	4.3
168.06641	3.3
169.10040	3.2
171.11673	9.3
173.13274	15.4
175.11203	2.1
175.14853	9.8
177.12740	4.3
179.17960	2.5
183.06496	4.3
185.13271	12.0
186.07610	3.8
187.14801	10.6
189.12811	2.1
191.14261	2.7
199.14857	5.6
201.07652	2.5
201.16505	2.7
203.14352	2.0
204.08702	7.4
205.15871	3.7
207.17433	3.4
213.16489	3.6
231.21117	3.5
235.16959	2.3
239.24783	1.9
241.19456	14.3
257.22717	3.2
259.20569	43.5
260.20801	2.4
274.25284	7.7
277.21628	41.6
292.26300	14.8
293.21115	4.4
295.22711	2.4
301.21649	2.6
310.27509	10.5
315.18378	2.1
333.24274	11.2
351.25308	80.6
375.25412	2.2
379.25000	3.0
393.26309	2.9
421.25507	3.6
459.27612	3.4
477.28549	4.1
495.29468	5.8
513.30090	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	514.225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71043	0.9
56.96564	6.7
63.68086	0.8
71.19674	0.7
71.46032	0.8
91.05518	0.8
97.96799	1.5
102.92606	3.1
110.97609	1.5
118.92079	2.8
128.98608	0.9
136.92343	0.4
136.93112	25.1
154.94168	43.7
161.97215	1.4
172.95236	46.5
177.95804	3.0
179.97391	2.7
190.96284	14.2
192.95689	3.4
195.96851	5.3
197.98402	5.7
198.96837	1.4
210.96754	18.8
212.98390	1.9
215.99529	2.7
228.97839	23.6
230.99622	1.0
233.98421	1.8
246.98978	3.2
251.99515	1.3
273.38632	0.7
315.16446	1.8
317.17865	30.1
318.18442	0.8
333.17355	1.6
335.18912	8.7
338.09052	0.8
339.30173	0.8
358.20544	2.9
397.14572	4.6
453.17148	65.7
454.17471	1.3
458.20071	0.9
471.18304	100.0
472.18674	3.1
494.19763	13.9
513.50623	2.1
514.23169	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	514.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05363	0.7
56.96403	3.7
56.96724	3.9
67.05342	1.6
67.05689	1.6
69.51868	2.3
69.52272	1.5
79.05327	0.8
81.06874	1.7
81.07299	0.9
88.92690	0.6
89.96360	0.7
91.05276	0.7
93.06866	0.7
93.08051	0.6
95.08440	1.4
97.96629	1.5
98.23380	1.0
102.92377	2.3
105.00020	0.8
105.06815	0.7
109.09946	0.7
110.97430	1.2
111.07413	0.7
115.97628	1.1
118.91820	3.5
128.98387	1.3
133.32762	0.7
136.88417	0.7
136.92856	26.6
136.93930	4.7
136.94559	1.8
150.35210	0.7
154.93889	43.8
154.95296	4.5
161.00987	0.9
161.95918	1.4
161.96965	2.0
171.98090	0.6
172.94949	40.9
172.96605	3.1
177.95509	2.4
179.96519	1.8
179.97940	25.7
179.99667	1.9
190.96010	9.2
192.95499	3.0
195.96817	3.4
197.98381	10.0
198.96664	1.0
210.96791	19.5
212.98198	1.7
213.97568	0.8
215.99158	2.7
228.97850	21.0
233.98067	2.0
246.98587	3.1
249.28333	1.0
251.99182	1.2
308.87585	0.9
317.17850	37.4
333.17166	2.7
335.15393	1.0
335.18948	11.0
335.25494	2.1
336.18790	0.9
338.09290	0.8
358.20349	2.7
397.14636	4.2
426.76486	0.7
434.94354	0.8
453.17154	62.7
454.17310	1.1
471.18323	100.0
472.18732	3.0
494.19846	10.6
514.23212	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46607	1.2
55.05515	2.8
57.03429	2.0
57.31449	1.3
61.02927	1.4
67.05512	10.4
69.07076	3.1
71.08641	9.3
79.05491	7.9
81.03418	1.4
81.07050	9.4
83.04971	1.4
85.73460	1.1
89.07120	1.3
91.01508	1.4
91.05463	5.9
93.07049	10.9
95.04996	2.9
95.08594	7.6
99.08080	3.7
105.07027	4.4
107.08611	4.7
109.10159	2.8
112.23212	1.2
117.06995	1.9
119.08570	2.5
120.96638	32.5
121.10144	3.9
131.08626	1.2
133.10162	3.5
135.11696	3.3
145.99733	1.5
147.11731	1.3
151.11218	4.5
159.10344	1.2
161.13297	2.3
164.00844	18.4
171.11732	1.8
176.99257	3.6
179.14322	6.7
182.04126	1.1
195.00299	4.2
277.21704	2.7
295.81442	1.2
312.00909	1.2
317.20581	3.6
335.20779	4.8
351.25412	1.9
352.25620	3.1
353.21738	1.4
373.23483	100.0
374.23865	3.1
391.24554	17.0
425.18948	1.2
453.20004	5.9
471.21136	78.4
472.21158	3.0
514.25397	76.0
514.40271	2.8
515.25427	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	514.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
54.88778	1.5
55.05500	4.1
67.05509	9.3
69.07069	4.4
71.45840	1.7
79.05501	7.0
81.03429	9.0
81.07085	8.8
83.04988	3.6
91.05492	4.5
93.07045	8.5
95.04983	8.3
95.08621	5.2
105.07030	1.8
107.08614	3.0
109.06494	1.5
109.10172	2.8
119.08614	2.4
120.96655	21.3
121.10125	2.3
125.09620	2.0
133.10104	3.7
145.99847	2.2
147.11752	2.3
151.11215	6.2
164.00841	7.7
176.99319	2.9
195.00301	6.1
277.21686	3.4
315.38794	1.6
317.21005	4.9
335.20728	4.3
353.21924	1.7
373.23514	83.2
374.23993	2.4
391.24594	21.2
453.20029	5.6
471.21179	100.0
472.21487	3.2
495.80212	1.7
513.70575	1.8
514.25446	88.5
515.25916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	4.1
70.06594	17.1
71.08627	3.3
88.07133	1.8
88.07638	22.2
91.05497	1.1
95.04935	1.2
102.09187	11.6
105.03387	14.2
111.89763	1.4
118.38623	1.2
145.86348	1.2
149.02379	9.1
149.05978	60.0
152.22411	1.2
152.53456	1.5
156.17332	1.4
190.05022	1.4
193.04935	9.6
200.20097	49.7
297.07620	14.5
341.10184	55.0
342.10739	1.5
349.17065	1.9
372.15518	4.7
454.15787	1.6
489.87122	1.5
514.28021	100.0
515.28369	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	514.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.0
57.07081	12.9
67.05502	14.9
69.03429	5.8
69.07061	55.3
79.05491	6.6
81.07054	27.1
83.08620	26.7
85.02908	17.4
85.31649	5.8
91.05489	13.1
93.07072	15.1
95.08614	40.7
97.10182	9.4
105.07033	25.8
107.08607	20.4
109.10152	41.0
119.08585	35.3
121.06506	100.0
121.10159	20.4
125.13271	13.0
131.08601	9.8
132.61700	5.9
133.06586	8.8
133.10127	28.9
135.08075	8.5
135.11702	9.5
142.65298	5.7
145.10123	26.0
147.08020	27.3
147.11690	37.9
149.09618	35.6
149.13214	7.9
151.14932	5.8
156.09375	8.3
157.10153	12.2
159.11700	16.0
161.09624	23.3
161.13287	21.8
163.11221	21.2
165.05475	44.4
165.68988	5.3
169.10068	5.8
171.11739	9.7
173.13303	13.6
175.11224	13.7
177.16350	7.1
187.11128	6.8
189.09081	12.2
189.12704	29.4
193.08629	20.2
197.13278	6.4
201.12891	8.8
201.16483	8.8
203.10669	8.4
207.10141	29.6
207.13853	18.8
215.14325	6.3
217.12245	17.6
221.11748	10.3
225.16425	11.0
229.19492	7.3
235.13289	99.4
253.19579	17.2
271.20532	71.1
289.21753	13.6
299.19955	35.4
317.21042	67.4
334.15076	6.3
352.70111	5.6
395.29181	6.0
397.55432	6.1
411.45129	6.5
514.18890	6.6
514.26520	28.0
515.35791	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	514.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.0
59.05010	1.7
65.77007	1.2
67.05499	5.3
69.03429	1.9
69.07068	4.9
71.04980	1.6
79.05512	9.1
81.07048	13.5
83.08587	2.1
85.02912	5.2
85.06543	13.3
91.05486	4.5
93.07056	9.2
95.04955	1.4
95.08604	13.6
97.02897	1.4
97.06501	1.6
97.10154	1.6
99.04450	1.2
99.08121	1.4
105.07028	14.5
107.04969	1.3
107.08596	13.4
109.06527	2.2
109.10161	9.3
111.11720	1.2
112.07639	2.1
119.04961	3.1
119.08575	8.3
121.10150	12.0
123.11718	2.6
125.06005	12.7
127.07558	5.1
131.08536	4.3
133.10124	9.3
135.11708	5.1
137.05998	2.1
145.10115	4.2
147.04388	8.9
147.11679	7.6
148.04781	3.6
149.13240	8.8
156.89070	1.3
159.11716	3.6
161.13264	4.0
163.14836	3.7
169.10086	2.1
173.13292	6.7
175.11212	2.6
175.14767	3.2
176.15703	1.6
180.08701	1.7
187.14804	1.7
189.16406	2.8
193.04897	1.3
193.12184	1.6
198.21056	1.6
213.16472	1.5
229.19478	8.5
233.15352	1.9
243.20993	3.1
253.19435	3.3
271.20630	6.1
280.04593	1.3
289.21637	21.3
299.19995	4.3
317.21109	100.0
318.21271	1.7
335.22025	8.7
466.40466	1.4
514.29364	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	3.5
57.07091	1.1
59.05026	0.8
65.87045	0.8
67.05206	0.8
67.05503	5.6
67.63747	0.8
69.03436	6.7
69.06705	1.4
69.07069	10.9
69.17217	0.9
69.53925	3.5
71.05006	1.1
77.97581	0.9
79.05500	9.8
81.03378	1.1
81.07053	16.7
83.08622	2.6
84.08132	1.2
85.02910	6.3
91.05493	3.3
93.07039	10.5
95.04966	2.0
95.08603	17.6
97.02903	2.1
97.06548	3.1
97.10181	3.0
103.57790	0.8
105.07038	20.0
107.04939	1.4
107.08600	17.2
109.06533	1.4
109.10174	15.2
111.11750	2.0
112.07610	35.5
118.60313	0.8
119.08585	14.6
120.96671	1.5
121.10151	18.1
123.08086	1.8
123.11713	5.3
125.05993	15.5
130.08659	1.6
131.08563	6.8
133.10126	10.1
135.11694	8.3
137.06003	2.6
137.09637	0.9
137.13261	3.0
139.11150	1.4
141.09065	1.1
143.08582	2.3
145.04919	1.2
145.10139	9.4
147.08040	1.4
147.11687	10.0
149.02353	6.1
149.13243	5.5
151.07529	1.6
151.11226	1.3
155.08597	1.4
157.10152	2.5
159.11716	6.1
161.09654	2.7
161.13249	5.0
163.14870	1.6
164.00853	1.3
165.09056	0.9
171.11734	2.7
173.09648	1.8
173.13283	8.2
175.11192	3.6
175.14844	3.8
177.05550	1.1
177.16397	2.9
179.10695	1.3
180.08693	1.7
183.11661	1.4
184.07370	1.1
187.14841	3.2
189.16393	11.9
193.04955	5.4
193.12276	3.6
197.13281	2.4
199.14882	1.2
201.12823	1.9
205.12234	1.6
207.13834	2.5
211.14755	1.4
215.14307	1.5
219.13823	3.5
221.15341	1.4
229.16014	1.2
229.19568	4.7
233.15366	2.1
237.07622	1.8
243.21083	14.0
253.19502	6.2
271.20575	16.4
281.19064	1.2
289.21628	36.5
299.20053	6.1
317.21109	100.0
318.21524	3.3
335.18176	1.7
335.22174	33.2
385.09158	1.6
391.24548	1.5
452.13263	2.1
453.20291	1.6
461.25485	1.3
496.15985	7.3
514.26428	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.1892
Annotation	Cedrusin tetraacetate
Peak:m/z	Relative Intensity
56.26037	0.7
59.04960	3.1
68.02352	0.7
69.03403	0.7
69.07027	0.7
71.04993	7.0
79.05447	2.4
81.07032	1.8
85.02855	1.2
91.05472	1.4
93.07059	0.7
95.04961	1.0
103.05402	1.4
105.04417	0.7
105.07021	5.5
106.04156	0.8
107.04919	3.3
107.08587	1.1
109.10128	1.1
112.97414	0.7
114.85660	0.9
115.05405	1.5
115.11160	0.7
118.08537	0.6
121.06470	0.8
121.10100	0.9
123.04446	3.8
124.05227	1.5
125.05963	1.3
127.03937	0.8
128.06186	1.2
129.06967	1.9
130.21901	0.8
131.04874	0.9
131.08508	2.7
133.06512	4.5
133.10092	0.9
141.06920	1.1
142.22411	0.7
144.05655	1.9
156.05670	3.0
157.06488	1.5
159.08067	4.0
159.09148	0.7
159.11687	0.8
161.05995	5.2
163.03911	1.0
165.05504	0.9
167.07047	48.0
172.05186	1.1
174.06700	1.3
175.07562	1.0
176.04607	1.3
177.05295	1.7
179.07014	1.4
182.05850	1.0
184.05142	1.1
186.06700	3.0
187.07565	4.2
189.05247	0.9
189.09106	1.4
191.07001	2.9
193.08594	17.0
197.08127	6.4
202.06171	2.6
205.08556	2.5
209.07983	1.3
215.06836	0.8
217.08600	21.4
219.06116	1.5
219.08231	1.1
219.10054	4.4
243.05995	0.8
247.07458	1.0
247.09665	4.8
249.20616	1.1
279.12344	0.9
291.10172	0.9
301.10333	1.7
301.21713	2.5
307.09628	1.0
323.12766	0.8
351.12292	1.3
371.14951	9.6
380.12445	1.2
383.14856	1.8
425.15820	2.9
455.16782	100.0
456.17081	5.1
496.19308	1.9
515.18903	75.2
516.18878	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2634
Annotation	Isororidin E
Peak:m/z	Relative Intensity
69.67744	2.2
74.95029	0.5
79.26481	0.5
80.40385	0.5
81.07081	0.7
98.22725	0.8
99.50227	0.5
100.69984	0.5
155.24292	0.5
183.89017	0.5
225.63878	0.6
236.29070	0.5
238.33499	0.6
342.63919	0.6
515.26318	100.0
516.26532	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	515.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05729	0.2
59.49566	0.2
61.46164	0.2
62.84381	0.3
69.26490	1.2
78.76664	0.2
86.09689	0.3
87.54659	0.2
146.47629	0.3
151.84979	0.3
160.73575	0.3
164.92291	0.3
185.04207	0.5
292.94440	0.3
313.27405	0.4
316.95221	0.3
393.95264	0.2
514.51147	0.6
515.31952	100.0
516.32367	4.4
516.39606	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.0
53.03936	2.3
54.88477	1.2
55.01873	2.7
55.05512	20.5
57.03439	6.5
57.07075	3.8
61.02923	4.0
65.03943	2.9
67.05508	96.5
69.03436	4.0
69.07075	18.9
71.04987	3.3
71.08624	1.8
73.02923	1.5
75.04475	1.5
77.15179	1.1
79.05498	63.4
81.03418	2.2
81.07061	95.5
83.04973	2.7
83.08621	9.0
84.97115	1.3
85.02906	3.8
85.06535	3.8
91.05483	35.5
93.07046	75.1
95.04971	8.5
95.08612	75.9
97.02908	2.1
97.06521	5.5
97.10151	4.4
99.08099	3.9
105.04571	2.4
105.07043	28.3
107.04975	1.3
107.08598	44.7
109.06515	2.9
109.10162	41.0
111.08102	3.1
111.11692	1.8
113.09621	1.8
117.07012	10.6
119.08590	23.5
121.10152	45.9
123.08076	3.2
123.11710	18.8
125.09638	2.0
129.07002	3.6
131.08580	28.7
133.10124	20.1
135.08133	1.9
135.11697	36.5
136.93050	1.7
137.09648	2.2
137.13268	6.7
137.71915	1.1
139.11128	2.2
143.08560	1.5
145.10114	19.2
147.11679	17.7
149.09633	2.1
149.13261	26.7
151.11180	2.5
151.14807	1.6
153.12799	1.6
154.94167	3.2
157.10072	2.0
159.11696	20.1
161.13281	14.6
162.97668	2.0
163.14838	19.0
165.12747	3.1
171.11786	1.3
172.95248	3.1
173.13260	20.6
175.14836	5.0
177.12788	2.6
177.16360	6.5
179.14320	2.8
185.13359	1.5
187.14862	11.2
190.96417	1.5
191.14301	2.1
201.16379	2.6
205.15829	2.8
215.17946	2.9
227.94008	1.3
233.07295	1.1
233.22536	2.8
243.18600	2.0
243.21086	32.5
252.91069	1.1
261.22150	100.0
262.22528	2.5
279.23224	1.6
317.24704	1.3
335.25812	14.1
353.26935	18.2
369.24069	2.2
387.25446	2.2
440.22556	2.3
443.28180	1.2
457.22968	2.1
458.23538	11.2
460.20847	1.5
473.19766	3.8
497.31125	2.7
515.37323	1.4
516.24286	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	515.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.3
54.01609	3.4
55.05503	13.8
56.04689	3.2
57.03436	8.8
57.07072	5.9
60.08166	4.6
65.03948	5.3
66.01680	3.6
67.05508	82.9
69.03426	8.0
69.07071	18.8
71.05001	4.7
79.05495	52.1
81.03431	5.5
81.07062	100.0
83.08625	9.4
85.06531	4.6
86.09711	13.6
91.05482	30.7
93.07053	51.6
95.04980	5.7
95.08607	65.8
95.20161	3.4
97.02904	7.4
97.10184	5.0
99.08085	3.3
104.10749	14.6
105.07043	31.0
107.08578	32.7
109.06516	7.8
109.10151	38.9
111.28069	3.3
117.07025	10.4
119.08599	21.5
121.10161	35.5
123.08066	5.9
123.11701	16.3
125.00006	12.3
129.07016	5.6
129.89111	4.2
131.08566	20.6
133.10175	16.7
135.11700	31.8
137.13240	6.5
145.10146	17.1
147.11691	15.0
149.13263	23.6
151.11284	4.8
159.11688	15.7
161.13280	15.0
163.14819	12.5
165.12808	4.6
173.13289	17.5
177.12727	5.7
177.16486	4.2
184.07329	42.7
187.14915	4.8
205.18318	3.5
225.32489	3.3
233.22798	4.1
243.21112	24.8
261.22144	77.7
261.24942	4.0
279.23187	7.7
335.25830	18.6
353.26859	13.3
369.24060	4.5
427.18250	4.5
463.35651	3.7
497.30844	7.9
508.51859	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	2.5
55.05518	17.3
57.03446	6.2
57.07080	4.5
61.02925	4.3
65.03960	3.6
66.31201	1.3
67.05508	88.2
69.03442	4.1
69.07068	15.6
71.05000	3.2
73.02905	1.6
77.03959	2.5
79.05502	53.0
79.51839	1.2
81.03402	2.5
81.07063	100.0
82.07400	1.8
83.05011	2.9
83.08620	11.9
85.02925	4.5
85.06537	2.6
91.05484	29.6
93.07050	60.1
95.04974	6.7
95.08611	73.2
97.02927	3.0
97.06563	4.6
97.10177	5.0
99.08105	2.6
103.12375	1.2
105.04499	1.7
105.07033	21.6
107.08595	40.9
109.06551	3.6
109.10161	35.0
111.08064	2.3
113.09630	1.4
117.07013	10.5
119.08582	17.9
120.96677	2.1
121.10147	34.7
121.10979	2.1
123.08056	2.6
123.11723	18.5
125.09608	1.9
129.07027	1.9
131.08569	22.1
133.10133	16.4
135.11705	30.7
137.09637	1.7
137.13277	7.8
139.11203	2.2
143.08551	1.7
145.10126	18.2
147.11694	13.5
149.13261	22.5
151.11201	2.0
151.14792	2.9
153.12764	3.0
159.11702	16.1
161.13258	11.5
163.11208	1.9
163.14835	13.5
165.12750	2.3
165.16423	1.7
173.13272	15.5
175.14864	4.7
177.16405	5.6
179.14291	2.5
187.14859	9.4
189.16344	1.7
191.14442	1.4
201.16408	5.1
205.16013	1.6
219.17410	1.8
223.30522	1.2
233.22733	3.8
243.21101	28.2
261.22153	87.8
262.22504	2.6
263.23709	1.7
279.23297	4.1
300.46252	1.2
335.25845	25.7
338.27655	1.6
345.24243	1.4
353.26813	19.0
357.71158	1.3
360.25702	1.6
369.24695	1.8
458.23529	9.4
497.31259	5.4
513.43414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14951	5.9
55.05501	20.5
57.03421	7.8
57.12951	6.0
58.06599	8.0
60.13004	6.2
64.66005	6.1
67.05505	86.2
69.07043	19.6
71.05008	7.9
72.08152	7.1
75.04451	6.1
79.05496	55.3
79.46782	5.5
81.07061	100.0
83.08625	11.8
86.09701	10.4
91.05478	38.2
93.07044	62.0
95.04971	9.0
95.08617	85.1
97.06573	9.3
97.10131	8.3
104.10735	13.7
105.07047	34.7
107.08602	42.7
109.10156	37.5
117.06996	15.2
119.08600	22.0
121.10157	38.4
123.11682	19.3
124.99980	7.0
131.08592	34.4
133.10127	12.1
135.11758	30.4
145.10121	19.2
147.11708	22.9
149.13278	27.6
154.94208	16.4
159.11699	21.1
161.13249	15.3
163.14845	15.2
172.95259	17.3
173.13249	16.6
184.07338	21.8
187.14787	15.0
210.96875	8.1
225.55219	6.5
243.21065	22.5
261.22107	84.2
271.05795	6.3
310.31369	6.1
318.17834	8.6
335.25699	15.1
346.07840	6.8
353.26770	14.1
363.63724	7.6
454.17227	11.0
472.18555	24.5
484.86542	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	515.3348
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
57.07077	0.8
63.41748	0.6
66.68926	0.7
67.05473	0.7
90.33429	0.6
95.08617	0.8
100.37260	0.7
102.48632	0.6
133.41791	0.7
179.36343	0.8
188.62288	0.8
215.45543	0.6
271.11224	0.7
276.72678	0.8
432.48108	0.8
453.33569	4.9
453.62350	0.9
497.32178	4.5
514.50812	1.2
515.33429	100.0
516.33899	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	515.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	65.2
57.03438	41.3
57.07081	67.0
62.42160	5.6
67.05505	85.1
69.07069	88.9
69.89951	17.2
70.06576	6.2
71.05003	6.9
71.08636	47.2
75.04468	7.3
79.05490	21.9
81.06622	9.0
81.07059	96.7
83.04996	7.5
83.08624	67.9
85.06538	6.6
85.10189	24.2
93.07046	37.6
95.08606	96.4
97.06526	17.5
97.10159	58.7
101.06004	6.8
107.08617	24.6
109.10166	54.1
111.08044	11.0
111.11707	18.6
121.10149	35.3
123.11724	24.1
125.09631	15.5
131.07037	13.8
132.88750	5.8
135.11676	34.6
137.13248	13.0
139.11166	11.8
149.13287	18.1
153.12747	8.1
163.14801	8.8
177.16373	5.7
191.17825	7.6
205.19476	6.2
239.24391	6.2
253.41211	5.9
258.26947	6.5
282.18423	6.2
303.30438	8.0
321.31589	20.4
331.29950	14.0
349.30930	50.4
367.32260	10.3
385.33078	96.9
423.34653	68.0
440.52304	6.2
441.35745	99.5
497.38470	36.1
515.20526	8.3
515.32776	9.4
515.39496	100.0
516.39392	9.0
541.42780	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	516.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.1
57.03405	3.3
61.02904	5.1
67.05499	10.6
69.03425	8.7
69.91946	2.9
79.05492	16.1
81.03424	5.4
81.07056	18.0
84.82858	3.4
85.02901	36.2
86.09681	5.3
91.05468	13.3
93.07033	21.2
95.08633	25.1
97.02871	8.2
105.07015	12.5
106.31695	3.0
107.08581	18.1
109.10174	28.8
111.08102	7.5
117.07018	7.5
119.08582	14.0
121.06445	3.2
121.10147	12.1
123.11697	39.9
125.09577	5.3
127.03889	7.5
129.06975	3.7
131.08586	10.6
133.10118	6.7
135.11708	7.2
137.09601	51.7
139.07463	4.8
143.08508	7.1
145.04951	5.6
145.10115	10.2
147.07996	5.1
147.11649	8.4
149.09612	7.5
155.08533	6.4
157.10130	7.9
159.11674	10.3
161.13217	4.8
165.09087	29.1
169.10104	7.2
169.12209	15.0
171.11646	11.9
177.09048	3.6
181.10068	4.2
183.10112	3.7
185.13177	4.5
189.12657	4.7
195.10136	20.8
195.11693	5.4
199.11107	5.7
199.14796	6.8
199.39493	3.6
201.16435	4.3
209.13257	13.4
211.14842	9.3
213.16327	4.6
227.17917	14.5
229.15964	5.4
237.16367	13.8
245.19041	9.2
255.17400	32.8
273.18555	31.7
283.16861	11.4
283.20685	6.3
291.19543	22.0
301.18054	40.2
301.21301	6.7
319.19025	43.4
319.22772	11.1
327.14392	7.6
336.09399	4.5
337.16302	6.8
337.20087	100.0
349.58435	3.8
516.28552	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	516.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91603	0.3
55.01864	0.4
55.05501	0.9
56.05032	1.2
58.06602	1.4
60.08164	17.7
63.34571	0.2
67.05500	1.3
69.07066	0.4
69.36691	1.1
71.07372	7.2
79.05491	1.6
81.07056	1.5
86.09708	51.3
89.02402	0.3
91.05501	1.4
93.07045	1.2
95.08614	0.7
97.06542	0.5
98.22643	0.3
98.98466	4.4
104.10744	98.1
105.07008	1.4
105.11069	0.9
107.08598	0.5
109.10133	0.4
117.07032	0.5
119.08591	1.1
121.10101	0.4
125.00004	30.0
139.40425	0.3
147.11723	0.3
163.01564	0.3
184.07339	100.0
185.07686	0.5
196.28857	0.3
250.96678	0.3
258.11032	1.3
374.92993	0.4
382.43625	0.3
409.97394	0.3
439.21832	0.4
495.87299	0.3
498.29761	7.4
499.30078	0.4
516.30865	33.4
517.31354	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05035	0.8
56.49605	0.4
60.08163	6.4
62.93836	0.4
69.38734	0.7
69.39127	1.5
70.32890	0.4
71.07373	3.0
77.77791	0.5
79.05498	0.7
86.09709	27.4
91.05488	0.5
93.07060	0.7
98.98443	3.0
104.10751	2.8
125.00008	18.6
133.39871	0.4
184.07346	100.0
185.03079	0.4
498.30087	0.6
516.31165	3.2
542.18762	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.309
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.2
56.05029	0.6
58.06625	0.5
60.08163	6.0
61.78324	0.2
67.05497	0.4
69.66216	0.7
71.07372	3.0
79.05479	0.3
86.09705	30.8
91.05495	0.4
93.07059	0.3
95.04967	0.3
98.98472	2.9
104.10751	2.8
107.08578	0.3
115.42480	0.2
124.99049	0.4
125.00002	21.6
184.07336	100.0
185.07672	0.8
209.46423	0.2
258.11102	0.2
387.84677	0.2
407.47119	0.2
443.71460	0.2
498.29996	1.1
498.36276	0.2
516.31073	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	516.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.5
63.82499	5.4
67.05518	15.3
69.03426	14.7
69.07065	8.4
79.05505	27.8
81.07068	35.4
83.08618	24.9
85.02920	35.0
87.04529	8.7
91.05474	10.8
93.07046	17.8
94.83073	5.5
95.04957	7.3
95.08616	34.0
97.02878	15.8
97.10188	8.1
105.07028	41.0
107.04958	5.6
107.08572	16.8
109.10154	21.6
119.08600	27.7
121.06525	8.4
121.10180	14.7
123.08009	5.6
123.11736	12.9
125.06011	30.2
131.08578	26.4
133.10130	18.0
135.11723	13.7
137.05937	9.0
143.08595	9.4
145.04936	10.6
145.10143	31.1
147.11679	16.4
151.07498	6.9
157.10112	8.3
159.11655	18.4
161.13182	8.1
163.14883	6.2
171.11806	9.0
173.13249	16.1
175.14900	6.9
187.11063	5.7
189.12712	12.5
191.10764	7.8
199.14854	14.4
201.16547	6.2
207.13838	12.0
219.13820	11.7
227.17932	10.8
232.07132	47.9
243.17572	10.1
255.21033	34.3
265.54056	6.5
273.22244	37.1
283.20636	14.5
285.44241	5.9
287.98474	6.2
291.23157	43.0
301.21600	100.0
307.06085	8.5
319.22696	60.0
412.81363	6.3
516.20361	8.4
517.15021	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.8
55.01890	1.8
55.05515	5.9
56.17437	1.7
56.60437	1.8
57.07092	3.7
59.05000	4.5
60.17981	1.5
61.02936	1.7
63.01561	1.7
67.05506	6.3
69.03436	4.2
69.07066	8.9
69.80135	3.2
69.80511	3.0
71.04986	2.1
79.05498	33.4
81.07055	94.3
83.08619	11.1
85.02911	14.1
91.05476	13.7
93.03423	2.5
93.07047	14.5
95.04967	3.4
95.08607	18.9
97.06524	11.1
97.10194	3.2
98.22763	2.4
105.07026	27.1
105.60982	1.9
107.04975	8.0
107.08591	19.6
109.02830	1.9
109.06523	3.8
109.10170	19.0
111.04446	3.3
111.11792	2.4
117.07014	2.7
119.04978	3.2
119.08572	23.7
121.10131	14.3
123.08099	2.4
123.11699	5.2
125.05989	87.8
127.03943	2.8
131.08612	12.0
133.06487	2.1
133.10147	18.8
135.11682	5.8
137.05989	16.0
137.13222	3.3
143.08577	5.1
145.04970	4.1
145.10132	21.4
147.08063	6.0
147.11664	10.6
149.13298	6.9
151.07536	4.2
154.50963	2.3
157.10136	6.6
159.11696	11.7
161.09598	5.6
161.13248	5.0
163.14746	3.1
171.11740	5.5
173.09651	2.3
173.13290	10.3
175.14827	24.5
177.16374	4.2
180.08684	2.4
184.07338	3.3
185.09538	1.7
185.13231	10.9
187.14868	4.9
189.09193	2.2
191.10672	2.4
199.14842	6.0
201.12714	1.9
203.14323	73.3
204.14680	2.4
205.12230	2.5
213.16397	3.2
217.04529	1.8
219.13776	14.2
221.15367	96.2
227.14215	2.3
229.19499	5.6
245.15445	5.3
255.21094	18.0
273.22104	13.6
283.20462	11.3
288.03799	2.1
301.21609	100.0
302.21887	2.9
317.30252	2.0
319.22675	8.0
322.91812	2.0
516.26758	2.2
517.37225	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	516.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	7.3
59.89579	2.8
67.05504	10.2
69.07063	9.5
70.38228	5.5
71.04962	2.8
79.05500	20.7
81.07055	36.8
83.08612	8.5
85.02926	15.0
91.05511	10.1
93.07043	20.8
95.08620	33.1
97.02889	4.8
97.06493	4.7
97.10177	4.6
104.73303	3.0
105.07037	39.4
107.04951	4.5
107.08609	28.7
109.10146	20.5
115.05408	3.7
116.57075	3.0
119.08577	22.3
121.10161	17.2
123.11732	10.2
125.06026	13.5
125.09550	3.7
131.08566	23.9
133.10141	12.6
135.08080	3.1
135.11664	10.5
137.13287	6.7
143.08533	7.0
145.10121	34.7
147.08041	3.2
147.11723	16.8
149.06021	3.5
149.13281	9.9
157.10135	10.0
159.11693	19.1
161.09637	5.6
161.13246	6.0
171.11691	8.0
173.13249	19.3
175.11232	4.8
175.14835	10.4
177.16452	5.1
185.13249	5.5
187.14851	9.7
191.10712	3.6
199.14844	11.7
203.14441	5.6
213.16385	5.0
221.15402	4.3
229.19554	7.7
255.21021	34.0
273.22214	16.7
283.20392	7.7
291.23206	5.9
301.21631	69.6
319.22690	100.0
346.23642	3.2
404.95908	3.1
457.19696	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	516.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.4
55.05510	5.4
67.05498	8.0
67.29642	2.0
67.98408	2.0
69.03429	4.9
69.07066	9.3
79.05495	30.5
81.07056	91.0
83.08619	7.2
85.02909	14.1
85.06551	2.5
88.20457	1.9
91.05485	13.0
93.07049	13.9
95.04967	3.2
95.08599	28.8
97.02899	3.4
97.06525	7.5
97.10159	3.5
98.22712	5.1
99.08113	2.9
105.07033	18.9
107.04961	3.6
107.08582	17.4
109.06516	4.7
109.10155	24.4
111.04433	2.7
119.08585	21.2
121.06477	3.1
121.10110	13.1
123.11708	11.7
125.05988	68.1
127.03880	2.6
129.07027	3.2
131.08586	10.1
133.06534	4.1
133.10136	20.2
135.11679	3.4
137.05980	11.6
137.13232	2.4
143.08568	5.9
145.04942	5.1
145.10101	18.7
147.11685	17.3
147.65993	2.4
148.06209	2.3
149.13251	6.4
151.07588	4.8
157.10120	8.1
159.08052	2.7
159.11668	13.2
161.09692	5.6
161.13275	7.4
163.07623	3.1
163.14807	4.0
171.11639	6.5
173.09589	3.1
173.13264	10.7
175.11189	5.6
175.14801	15.5
177.09102	4.4
177.16394	3.7
180.08711	2.2
185.13271	8.4
187.14839	6.1
189.12749	2.9
191.10689	4.5
193.12213	2.7
197.13071	2.0
199.14822	8.2
201.12755	5.6
201.16338	2.2
203.14337	32.4
205.12279	3.2
213.16382	4.8
219.13805	15.3
221.15369	44.6
227.17963	2.6
229.19612	3.7
231.13655	2.5
233.13269	2.2
233.15282	11.3
251.16425	9.0
253.19638	2.5
255.21117	24.4
257.22879	2.2
271.20605	12.5
273.22125	32.0
283.20697	13.1
301.21622	100.0
302.22034	2.9
319.22705	10.4
341.66190	2.1
365.19293	2.6
463.26813	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	516.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	9.6
57.03436	3.2
57.07072	8.6
61.02930	3.4
62.01129	1.6
66.56644	1.9
67.05502	5.8
69.03431	7.1
69.07075	15.1
69.51310	1.8
70.09068	2.8
70.09412	4.0
71.08620	2.4
71.86237	1.7
73.02907	1.9
74.74394	1.6
79.05495	10.9
81.03452	4.7
81.07058	25.5
83.08628	13.9
85.02910	31.8
87.04475	2.3
91.05500	9.8
93.07040	8.6
95.08618	15.7
97.02911	10.9
97.10170	5.8
97.44404	1.8
105.07031	100.0
107.08603	7.2
109.02895	2.5
109.10160	16.9
111.11755	3.1
113.19783	1.7
117.07032	5.6
119.08591	20.4
121.10158	7.5
123.11723	7.7
125.05970	4.4
127.03937	5.9
129.06961	2.9
130.07768	3.2
131.08569	57.4
133.10120	12.3
135.11717	3.2
137.06013	1.8
137.13252	4.8
139.11095	2.0
139.14859	3.4
139.64670	2.1
143.08566	6.3
145.04987	9.9
145.06404	2.1
145.10133	89.8
147.11710	12.7
149.05965	18.9
149.13264	2.6
157.10187	5.3
159.08092	3.9
159.11697	24.7
161.09666	3.3
161.13269	7.0
163.06282	2.0
163.07556	4.8
171.11736	6.6
173.09622	4.3
173.13255	38.5
175.07550	6.0
175.14853	5.4
177.09103	3.7
180.08661	1.7
183.11473	1.8
185.13263	5.7
187.14864	5.9
189.09135	7.7
191.10741	11.4
193.12219	2.2
199.14812	8.2
203.10736	2.2
205.12230	3.8
209.13152	2.5
213.16360	2.7
217.12233	5.1
219.13832	12.7
227.18025	4.2
229.19485	2.7
231.13763	2.9
245.15532	4.0
255.21074	24.0
257.22729	4.5
265.19467	2.9
267.21317	1.7
273.22165	7.3
283.20599	19.7
291.23395	2.8
301.21646	40.4
302.21878	2.0
319.22638	10.4
336.25262	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.05515	4.7
57.07088	1.4
65.00403	1.4
67.05501	6.4
69.03426	3.1
69.07069	5.5
71.22168	1.8
76.70502	1.4
78.96496	1.4
79.05494	27.7
81.03435	1.5
81.07059	100.0
83.08613	4.1
85.02923	12.3
85.06582	1.9
91.05488	8.2
93.07042	8.1
95.04951	3.0
95.08598	16.6
95.96551	1.6
97.02901	3.9
97.06548	7.3
97.10197	1.7
99.08094	1.6
105.07043	10.5
106.50359	1.4
107.04942	5.4
107.08584	9.3
109.06509	2.7
109.10161	14.1
111.04407	2.6
119.08592	13.6
121.10152	5.9
121.37883	1.4
123.11709	9.8
125.05991	53.9
127.03891	3.7
131.08528	6.1
133.10121	11.0
135.08041	1.5
135.11693	3.8
137.05965	6.1
143.08513	2.6
145.04942	3.9
145.10135	11.7
147.07991	2.9
147.11717	9.1
149.05913	1.7
149.13251	4.5
151.07533	2.3
151.14754	1.5
157.10115	4.1
159.11694	6.0
161.09641	2.8
163.14807	4.3
171.11690	2.5
173.13239	4.5
175.11185	3.4
175.14761	9.3
177.09145	2.0
177.16423	2.6
183.84784	1.4
185.13275	6.0
187.14771	1.9
189.16270	1.6
191.10678	3.9
199.11293	1.7
199.14926	3.7
201.12827	2.6
201.16370	1.5
203.14328	27.5
205.12231	3.3
213.16245	1.6
217.12280	1.8
219.13794	14.9
221.15350	29.3
233.15388	3.6
255.21039	15.6
271.20541	4.2
273.22110	17.0
283.20563	13.2
301.21616	60.6
302.22040	1.8
319.22729	8.2
331.72729	1.5
365.19183	1.6
381.50278	1.6
445.25778	1.8
457.63541	1.6
462.23120	1.5
463.26828	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01918	2.2
55.05512	7.4
57.07058	2.1
67.05501	7.9
69.03421	3.7
69.07062	8.9
71.46512	2.3
72.99877	2.3
79.05482	15.9
81.07064	29.7
81.97980	2.1
82.89912	2.3
83.08628	4.0
85.02912	19.0
85.06559	2.5
87.00780	2.7
91.05486	9.0
93.07046	14.4
95.04965	3.4
95.08616	21.6
97.02905	8.1
97.06534	5.7
103.53878	2.3
105.07030	32.5
107.04976	2.5
107.08595	25.1
109.02918	2.5
109.10162	16.9
117.07063	2.3
119.08564	17.8
120.88543	2.1
121.10152	16.9
123.11695	6.3
125.06007	10.9
127.03917	2.7
131.08563	19.2
133.10120	14.0
135.11717	8.2
136.22057	2.3
137.05946	2.2
139.11217	2.7
143.08583	3.5
145.04919	2.9
145.10139	27.5
147.11682	12.9
149.13268	11.6
151.11249	2.4
157.10182	6.0
159.11691	13.3
161.09677	2.6
161.13249	4.9
171.11717	10.1
173.13297	12.9
175.14848	8.2
185.13315	7.0
187.14827	8.3
187.26767	2.3
189.16440	3.3
192.76627	2.2
197.13318	2.2
199.14854	9.1
201.16440	3.1
221.15433	3.9
229.19565	5.9
255.21117	21.8
273.22180	14.9
283.20624	4.2
291.23254	6.2
301.21588	44.5
304.96106	2.1
307.23767	2.3
319.22681	100.0
481.28293	3.2
502.19330	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	516.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.2
55.05523	2.0
61.02925	3.2
65.36690	1.1
67.05490	2.9
69.03423	6.5
69.07053	1.4
71.04997	1.9
79.05493	1.8
81.03418	1.4
81.07057	7.1
83.04974	2.8
83.08605	1.1
84.08147	1.7
85.02894	19.1
91.03906	1.4
91.05482	2.9
93.07021	3.7
95.08600	4.5
97.02892	4.6
97.06550	2.4
99.04450	1.5
99.08120	2.6
102.23683	1.2
105.07032	6.4
107.08588	3.7
109.06528	1.4
109.10166	3.3
111.08054	1.3
117.06994	2.0
119.08594	4.0
121.06474	1.4
121.10158	1.9
123.08096	2.5
123.11717	2.3
125.09651	8.0
127.03920	3.4
131.08568	3.6
133.10112	3.1
135.11601	1.7
137.09636	1.7
143.08580	4.9
145.04955	3.8
145.10098	5.7
147.11688	4.3
149.09630	4.4
151.11166	3.7
155.08681	1.5
157.10127	6.0
159.11681	3.5
161.13222	1.3
167.10635	1.2
171.11728	3.6
173.13306	3.6
175.11192	2.3
183.11674	3.2
185.04231	1.5
185.13251	6.1
187.14781	2.7
189.16467	2.0
197.13199	2.5
199.14801	11.6
203.14384	3.8
217.15880	4.5
225.16338	3.1
227.14240	2.7
233.93228	1.2
241.15823	1.5
241.19557	2.5
243.17505	3.3
253.19553	1.8
255.21120	1.8
265.19434	5.4
268.46417	1.2
271.20602	2.7
283.20560	16.8
301.21606	18.2
307.06030	1.6
319.22675	100.0
320.22986	3.1
321.07611	1.3
332.92056	1.4
337.23898	1.8
420.14670	1.4
461.24380	1.2
498.17383	5.0
516.19525	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
53.53974	0.9
55.05504	4.7
57.03447	7.0
57.07079	25.7
63.73428	0.8
67.05509	5.8
69.03425	2.3
69.07079	7.8
69.60776	0.8
71.04992	1.8
71.08630	13.8
71.30713	1.1
73.02921	1.4
79.05476	4.1
81.03416	1.4
81.07066	10.2
83.04989	2.3
83.08615	5.4
85.02921	2.0
85.06540	6.4
85.10186	8.1
87.04462	1.4
89.06002	1.9
89.14496	0.8
91.05481	13.8
93.07036	2.0
95.08611	9.7
97.06503	1.2
97.10178	3.2
98.98454	3.3
99.04462	0.9
99.08119	0.9
103.07604	1.7
105.07008	2.6
107.08602	1.6
109.06486	2.0
109.10174	5.2
111.08095	5.0
123.08056	1.7
123.11700	1.1
125.09618	0.9
127.07573	4.9
129.09154	1.1
133.10136	48.9
134.10468	0.8
147.08067	1.2
149.09634	13.3
153.09114	3.9
171.10204	9.9
171.11649	1.4
179.14403	0.9
189.11232	8.2
257.24826	1.2
302.86172	0.8
313.27377	100.0
314.27661	2.1
337.20026	2.2
363.28799	1.0
427.22055	0.9
453.61038	0.9
461.33130	0.9
485.28763	1.3
516.39032	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	517.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.3
69.38885	1.6
70.06615	0.3
72.08155	0.8
85.02936	0.4
86.09702	0.7
88.63950	0.3
97.02896	1.7
109.02854	0.4
127.03921	1.1
130.06526	100.0
131.06859	1.2
146.06010	0.3
156.08101	0.7
158.06007	2.4
176.07079	2.8
184.07578	1.1
210.05441	0.5
220.23666	0.3
226.08617	0.9
238.08647	0.7
254.08115	11.5
256.09680	0.5
292.11639	1.1
301.21893	0.5
302.10199	1.9
320.11276	21.2
321.11664	0.5
355.02682	2.2
371.16818	0.5
399.81097	0.3
517.22650	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	517.2262
Annotation	YM022
Peak:m/z	Relative Intensity
50.54812	0.3
59.47027	0.3
62.75706	0.3
65.50085	0.3
69.06746	0.3
70.07867	0.5
84.04498	0.4
86.09699	0.9
91.84717	0.3
100.11274	0.9
101.11600	0.3
108.04489	1.2
110.94444	0.4
125.23309	0.3
143.11783	0.3
181.06813	0.4
240.08665	1.7
268.70090	0.4
323.62143	0.3
325.16266	0.3
355.17352	2.1
516.38623	0.9
517.22583	100.0
518.22888	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.226
Annotation	hesperadin
Peak:m/z	Relative Intensity
56.33762	0.2
58.60530	0.2
64.69704	0.2
69.35133	1.2
70.06579	0.5
72.08145	0.4
73.74379	0.3
76.94070	0.2
83.06106	0.3
84.04480	0.3
84.08158	0.2
84.39180	0.2
86.09702	1.1
100.11275	0.8
108.04468	1.6
135.94131	0.3
163.03883	0.4
173.12828	0.3
213.37209	0.2
216.03230	0.2
224.70363	0.3
240.08687	2.0
254.06226	0.2
289.59900	0.3
325.16232	0.5
339.17673	0.5
355.17148	2.3
356.07333	0.2
397.18088	0.3
433.02222	0.3
475.03329	0.4
516.38318	0.6
517.22552	100.0
518.22937	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57631	0.5
54.66863	0.5
57.03433	3.3
58.60149	0.4
62.12271	0.5
62.59324	0.4
67.05496	1.2
69.03432	9.2
69.09229	1.6
69.09630	1.5
70.06593	0.6
71.05003	0.6
73.02915	0.7
75.77974	0.4
77.65791	0.5
79.05486	1.2
79.09909	0.5
81.03413	0.6
81.07038	0.7
85.02907	25.8
86.09726	0.8
87.04472	4.0
91.05468	1.3
93.07037	4.0
95.05014	0.7
95.08604	1.7
97.02899	5.9
99.04425	0.6
105.07023	2.0
107.04969	0.6
107.08599	3.7
109.06508	1.3
109.10155	2.5
115.03928	3.2
117.06998	0.8
119.08578	6.3
121.06491	0.9
121.10145	7.6
131.45975	0.5
133.04971	0.9
133.10118	0.6
135.07996	0.7
135.11699	0.8
137.09612	12.8
143.08475	0.5
145.02827	0.7
145.10109	3.1
147.08051	1.3
149.06064	0.7
159.11667	1.0
159.67015	0.5
161.09589	0.8
163.04118	0.5
163.11235	4.0
164.08330	0.6
165.09145	0.9
175.11180	1.0
177.05495	1.0
177.12741	0.6
179.10657	3.6
181.04938	2.0
187.11153	0.7
203.48279	0.6
204.33163	0.5
205.12241	29.5
208.07307	0.5
223.13287	100.0
224.13615	2.1
249.83522	0.6
275.98578	0.8
385.18567	35.2
386.18878	0.8
400.99863	0.5
401.12350	1.5
433.02417	0.7
475.02844	1.0
517.22717	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	517.2931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05509	9.1
57.03419	3.9
57.07072	3.5
59.12731	1.0
60.08168	5.4
67.05505	11.7
69.03419	1.2
69.07067	11.1
69.33170	0.8
69.65607	3.6
71.04995	1.6
71.07375	2.7
71.08633	5.6
79.05499	6.8
81.07063	19.0
83.04976	1.1
83.08620	5.4
86.06086	0.9
86.09711	23.7
91.05489	7.3
93.07059	12.6
94.11082	0.8
95.04959	2.2
95.08613	17.0
97.06517	2.8
97.10164	2.2
98.98502	1.3
99.08093	3.2
104.10738	11.9
105.07033	9.1
107.08598	11.3
108.64680	0.9
109.06509	9.2
109.10170	6.9
111.08083	2.9
113.00019	100.0
117.07015	1.9
119.08582	10.7
121.06530	1.4
121.10149	7.8
123.08063	23.4
123.11709	1.8
124.99992	15.4
125.09595	0.9
131.08569	3.0
133.10133	9.3
135.08061	11.8
135.11676	2.8
136.93166	1.4
137.09592	2.5
137.13263	1.0
142.24246	1.2
145.10124	3.6
147.11687	7.5
149.09668	2.4
149.13257	2.8
154.94170	2.6
157.10121	1.0
159.11719	3.1
161.09561	2.5
161.13260	2.4
163.14793	1.5
165.12753	2.2
167.14333	2.6
172.95311	2.6
173.13179	1.6
175.11200	1.0
175.14830	9.0
177.12732	5.1
177.16386	1.4
179.12823	2.0
179.14322	31.8
180.14624	1.0
184.07352	79.1
187.03658	14.0
191.14388	1.7
193.12328	1.3
193.15863	2.6
205.15881	5.6
210.97621	1.2
228.97963	1.0
233.19029	1.6
247.20557	1.3
263.19983	2.4
263.23776	1.6
275.19998	2.4
289.21649	8.3
293.21265	1.1
303.26678	4.8
313.25284	1.4
331.26300	52.3
332.26611	2.3
347.25772	1.3
349.23615	1.4
349.27362	8.1
357.28116	1.0
375.29025	5.5
387.28952	8.4
405.30011	84.8
406.30252	3.5
474.20358	4.6
499.28171	2.9
500.30945	1.4
517.29669	10.7
517.37286	1.5
518.32117	4.2
522.82147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40787	1.2
52.00745	1.4
54.84621	1.3
55.05511	23.0
57.03441	6.3
57.07079	10.9
61.02929	1.7
61.50220	1.5
65.03947	2.4
67.05505	90.4
68.05830	1.3
69.03436	3.0
69.07066	23.7
71.08618	7.5
79.05492	31.3
81.07056	100.0
83.04985	2.8
83.08620	20.5
85.02921	2.9
85.06541	2.7
85.10190	3.8
86.09722	3.0
91.05484	18.9
93.07043	28.7
93.75323	1.3
95.04981	4.9
95.08606	83.5
97.02908	1.8
97.06532	9.8
97.10170	12.9
99.08103	5.2
100.20692	1.2
104.10738	4.7
105.04472	1.7
105.07024	13.7
107.08594	22.9
109.06544	2.4
109.10154	38.1
111.08092	4.3
111.11727	3.7
113.00009	2.7
113.09628	2.4
117.07014	2.1
119.08575	14.2
121.10153	23.9
123.08114	2.5
123.11708	21.9
125.00014	2.0
125.09659	2.7
125.13308	1.4
127.11202	3.0
129.06956	1.5
131.08620	2.3
133.10135	16.8
135.11688	14.4
137.13260	9.1
139.11148	2.5
141.12747	3.4
145.10190	1.7
147.11696	12.8
149.13264	10.9
151.11166	1.7
151.14810	8.2
153.12758	1.4
155.14342	3.7
161.13240	12.6
162.97525	2.7
163.14799	10.8
165.12836	1.3
165.16382	9.7
167.14435	1.4
175.14803	10.3
177.16440	2.5
179.14314	4.0
179.17892	7.9
180.14565	1.3
181.15715	1.2
184.07336	9.2
187.14883	1.3
189.16380	5.0
193.16003	1.5
203.17912	2.1
217.19431	1.9
226.78896	1.4
245.22646	64.7
246.22913	1.7
263.23706	69.2
264.23981	1.5
265.25314	2.0
283.29269	1.5
293.47528	1.6
313.27478	2.3
314.27762	6.8
337.27386	39.0
353.24954	1.7
355.28391	3.2
364.29367	3.2
371.25952	2.4
405.30560	1.4
407.27631	1.5
421.80685	1.6
445.29407	1.7
457.22076	1.4
459.24518	2.5
460.25317	2.8
499.32718	2.4
517.34613	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	517.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09443	1.0
53.03949	2.6
55.01880	1.7
55.05252	1.8
55.05513	26.3
57.03444	8.1
57.07077	10.9
61.02929	4.6
61.29399	1.1
65.03933	3.9
67.05508	92.2
69.03429	3.4
69.07074	29.9
71.04984	1.9
71.08641	6.5
71.64671	1.0
75.04465	1.0
79.05495	24.1
81.03410	2.4
81.07059	100.0
83.04981	2.9
83.08627	23.3
85.02940	5.3
85.06542	2.3
85.10178	3.6
86.09696	3.4
91.03967	1.6
91.04931	2.0
91.05480	21.1
93.07047	28.9
95.04951	4.4
95.08610	89.2
97.02903	2.7
97.06533	7.5
97.10168	13.0
98.22602	1.7
99.08096	4.1
104.10749	15.8
105.07035	13.2
107.08593	20.5
107.38353	1.0
109.06494	1.1
109.10156	42.2
111.08095	3.9
111.11723	4.2
113.09661	1.9
117.07012	1.3
119.08578	14.8
121.10152	26.9
123.08107	1.4
123.10876	1.8
123.11708	20.8
125.09592	2.0
127.11191	2.3
129.05492	1.0
131.08510	1.8
133.10129	17.8
135.11690	12.6
137.09608	2.5
137.13254	8.6
139.11230	1.7
141.12831	2.4
143.63814	1.0
145.10101	1.7
146.98225	2.0
147.11684	14.3
149.13280	9.9
151.11214	1.3
151.14810	6.3
155.14290	3.2
161.13257	14.6
163.14832	11.1
165.16406	8.5
167.14320	1.4
169.10072	1.0
175.14836	10.0
177.16440	2.8
179.14217	1.4
179.17976	8.0
181.15851	1.9
189.16367	2.9
193.15881	1.3
203.17885	1.9
217.19504	1.4
245.22658	49.4
246.23065	1.7
263.23709	64.2
305.24844	1.0
337.27386	53.9
355.28522	2.8
371.25656	1.5
459.25070	5.2
499.32437	5.1
518.32019	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	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
50.89954	0.4
53.03952	1.2
55.01849	1.0
55.05510	11.7
57.03440	3.5
57.07073	1.9
57.53003	0.4
65.03941	1.3
67.05505	21.7
69.07072	11.4
70.73502	0.6
71.04987	1.2
75.04490	0.5
79.05492	16.3
81.07059	26.4
83.04976	1.4
83.08617	5.9
85.06543	1.9
91.05480	15.7
93.07047	23.9
95.04973	1.8
95.08607	22.0
97.06519	2.5
97.10168	2.7
99.08070	0.8
105.04503	0.7
105.07031	18.0
107.08598	14.9
109.06531	1.1
109.10158	9.0
110.68321	0.4
111.08106	1.5
115.05435	0.6
117.07016	7.3
119.08585	19.7
121.06535	0.6
121.10149	12.3
123.11726	3.4
125.09642	0.7
129.07001	2.7
130.07828	0.6
131.08571	13.1
133.10126	14.5
135.08107	0.6
135.11694	7.0
137.09567	0.9
137.13264	1.1
139.11223	0.5
141.06990	0.6
143.08557	5.1
143.85931	0.4
145.10129	14.0
147.11684	9.7
149.09627	0.6
149.13261	4.7
151.11218	0.9
155.08578	1.6
157.10135	4.7
159.11694	8.0
161.13258	5.7
163.11200	1.1
163.14871	1.5
165.12723	0.7
169.10190	2.0
171.11694	4.0
173.13263	7.9
175.14853	3.3
177.12796	0.6
177.16402	0.7
180.95801	0.5
183.11652	2.6
185.11816	0.9
185.13234	3.3
187.14844	3.9
189.16397	1.2
197.13255	2.7
199.14822	3.0
201.16451	1.8
203.14371	0.5
205.15912	0.9
207.11716	0.7
211.14865	1.4
213.14771	0.6
213.16539	1.1
215.18033	1.1
217.15933	0.6
219.17532	0.7
225.16214	0.6
227.18169	0.9
231.21024	0.7
233.19075	0.7
238.29060	0.5
241.18053	2.2
245.19185	1.0
249.18738	0.6
259.20615	3.3
261.18982	0.6
261.22174	1.1
273.22202	1.3
277.21655	0.9
281.21011	0.6
285.22144	0.8
287.23706	1.6
289.21640	0.7
291.23245	0.6
299.23746	1.6
301.21799	0.6
301.25381	1.1
303.23190	0.7
305.24710	0.5
313.25345	1.6
315.23242	1.0
315.26819	0.6
317.24750	0.6
327.26556	1.0
331.26157	0.6
333.24316	1.8
335.25888	0.8
341.28412	0.8
351.25519	0.5
361.27567	0.8
391.28613	0.6
405.29993	1.2
407.27844	1.3
407.33154	2.7
419.31564	0.9
425.34180	10.2
425.39603	0.8
433.29099	0.9
443.35403	4.3
447.31326	1.1
461.36325	0.7
481.36307	1.0
499.37863	15.9
500.38174	0.7
517.38910	100.0
518.39099	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	518.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66495	1.6
57.03430	2.5
60.80671	1.4
61.02914	3.0
63.62225	1.9
69.03419	8.4
69.71967	4.9
71.89225	1.7
73.02902	1.7
81.03415	3.7
85.02905	30.6
97.02884	11.1
105.24899	1.6
109.02861	4.8
123.04424	2.1
127.03921	6.2
145.05009	5.5
147.04449	11.1
149.02380	4.0
163.03931	11.1
175.03972	2.1
176.23511	1.8
177.01834	6.6
177.05510	2.6
187.03905	3.6
203.03386	100.0
204.03751	2.0
205.04982	5.7
215.03362	6.4
228.66592	1.8
229.04953	2.9
231.02882	12.3
233.04457	5.4
261.03848	8.4
279.05008	17.6
291.05011	25.6
311.33575	1.5
321.06088	10.0
339.07104	49.8
356.09811	6.3
388.68103	1.7
458.99890	2.0
486.50580	2.1
509.84482	1.7
518.15283	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	518.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01393	7.9
53.03945	18.8
54.63126	9.4
55.01883	9.3
67.05508	11.4
69.03435	25.4
79.05492	14.5
81.03416	39.2
81.07054	68.1
85.02912	100.0
87.00826	53.3
91.05483	20.1
92.56603	12.1
93.07030	23.9
95.08608	43.9
97.02916	58.4
99.04466	17.3
105.01874	42.5
105.07019	27.7
107.08598	37.1
109.02905	35.1
109.10158	17.8
119.08595	49.5
121.10181	29.4
123.11732	18.1
127.03901	68.3
131.08598	10.8
133.10138	34.6
135.11647	13.3
141.07312	9.1
145.04976	33.4
145.10165	15.7
147.11760	17.3
154.86780	10.5
159.02872	22.8
159.11679	14.9
161.13283	21.6
165.45937	9.6
189.16359	52.1
217.15852	19.5
231.05067	11.9
235.16937	39.1
303.10757	12.3
517.84204	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	518.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
55.01879	7.2
55.05510	13.6
61.02920	6.3
66.29062	5.6
67.05501	17.7
69.03428	21.7
71.04989	8.2
71.46046	5.3
73.02895	11.7
79.05500	12.1
81.03420	19.0
81.07042	17.8
85.02909	40.0
87.00826	8.0
91.05470	14.9
93.07053	18.3
95.04968	100.0
95.08614	18.0
97.02905	14.4
97.06544	11.4
105.01889	7.3
105.07049	26.0
107.08591	19.3
109.02872	24.9
109.10171	11.5
119.08556	25.9
121.06541	6.6
121.10145	28.9
123.08044	7.9
123.11784	5.9
127.03938	27.5
131.08588	10.7
133.10150	17.3
133.32864	5.7
135.04356	8.2
135.08093	6.1
135.11697	14.3
136.13069	5.6
137.05974	16.0
143.08546	8.5
145.04999	12.8
145.10098	14.7
147.07956	5.9
147.11737	7.0
149.09605	8.9
157.10109	11.4
159.02861	8.4
159.11755	15.2
161.09669	10.4
163.03935	16.0
163.11205	6.3
164.04225	6.9
175.14853	7.9
187.14865	7.4
189.16415	7.3
191.10718	8.6
193.90459	6.2
199.14821	22.7
217.15895	66.0
235.16933	8.1
243.52718	5.9
285.22107	12.9
299.51785	5.9
303.23245	8.6
321.24359	19.6
414.41510	5.5
483.22211	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05371	0.1
55.05509	0.6
56.05035	1.0
57.03441	0.9
57.06816	0.3
57.07079	4.6
58.06586	0.8
59.07366	0.3
60.07864	0.3
60.08165	5.7
66.01606	0.1
66.41930	0.2
67.05508	1.1
69.07058	1.0
70.63012	0.3
71.07379	3.8
71.08631	3.2
81.07055	1.1
83.08611	1.0
85.10191	1.7
86.09708	22.0
87.10019	0.2
89.06034	0.2
95.08602	2.0
95.70188	0.2
97.10172	0.5
98.98463	0.2
104.10743	100.0
105.11076	0.6
109.10158	1.1
123.11736	0.5
124.99989	1.5
146.98181	11.9
154.94151	0.2
167.68457	0.2
176.99220	0.5
179.98267	0.2
184.07336	7.8
198.68298	0.1
239.23769	0.2
257.24780	0.3
313.27374	6.8
415.22195	0.7
459.24820	42.8
460.25296	1.1
475.21893	0.2
500.31857	0.2
518.32178	28.2
519.32654	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	4.4
56.04978	2.3
56.05230	0.8
57.03385	8.0
57.07021	30.3
57.07328	2.2
67.05509	6.5
69.07069	5.3
70.92982	0.8
71.07378	9.0
71.08633	18.6
77.13316	0.8
79.46252	0.7
81.07056	8.5
83.04910	1.0
83.08611	6.7
85.10190	9.0
86.09708	51.3
89.05972	2.2
95.08609	13.6
97.10098	2.8
103.07523	2.1
104.10736	4.8
107.08510	0.8
109.10160	5.7
120.49940	0.6
121.10034	1.0
123.11648	2.1
124.99961	1.8
126.18078	0.8
126.48579	0.7
146.98183	74.5
148.13930	0.6
149.06677	0.7
161.56906	0.7
175.88869	0.8
184.07321	7.6
188.00958	0.8
204.18021	0.7
206.05759	0.7
234.67998	0.7
235.63362	0.7
239.23680	1.4
246.33302	0.7
248.14552	0.7
257.24698	1.8
313.27383	26.4
314.27893	0.8
335.25412	1.1
407.68262	0.8
459.24829	100.0
460.25244	3.7
518.32184	69.6
519.32489	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.03452	0.1
58.06635	0.4
59.07403	0.1
60.08168	6.1
60.89355	0.1
67.05513	0.5
69.21376	0.8
70.06620	0.1
71.07378	2.9
75.63779	0.1
79.05492	0.3
81.07062	0.5
86.09709	28.8
93.37728	0.1
95.08599	0.2
98.98471	2.6
104.10744	3.2
107.08621	0.2
125.00007	18.8
184.07344	100.0
185.07649	0.6
312.32007	0.1
317.13611	0.1
391.96201	0.1
409.53171	0.1
447.44077	0.1
452.18527	0.1
500.31235	1.2
518.32471	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	518.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.2
56.05039	0.5
58.06348	0.2
58.06626	0.5
60.08163	6.8
67.05497	0.8
69.33201	0.5
69.33610	0.3
71.07374	3.4
71.15267	0.1
78.78437	0.1
79.05499	0.4
81.07053	0.5
86.09705	33.7
93.07039	0.4
95.08571	0.2
98.98466	3.9
104.10742	3.0
125.00002	25.4
166.02563	0.1
184.07338	100.0
185.07724	0.7
214.18900	0.1
258.10944	0.3
335.25870	0.2
500.31372	1.0
518.32404	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	518.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67360	0.3
55.05506	1.0
56.05038	1.5
57.03439	0.7
58.06588	1.6
60.08167	18.8
60.79246	0.4
62.49907	0.3
67.05505	2.8
67.53174	0.4
69.07050	0.8
69.27197	1.1
71.07378	9.0
76.62120	0.3
77.94050	0.3
79.05501	1.8
79.64528	0.3
81.07069	1.9
83.08671	0.3
86.09710	56.6
91.05491	1.1
93.07066	1.7
95.08598	1.9
98.98477	3.8
104.10748	94.1
105.07057	0.8
105.11087	0.6
107.08616	0.7
119.08594	0.5
121.10133	0.5
125.00008	32.8
133.10132	0.3
136.43980	0.3
142.76883	0.3
163.01552	0.6
184.07349	100.0
185.07709	0.9
213.02635	0.3
258.11026	1.1
305.37247	0.4
335.25766	0.6
374.88303	0.3
500.31351	6.5
518.32440	23.9
519.32544	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28549	4.5
57.03434	4.9
61.02879	5.1
65.07477	5.0
67.05496	17.3
67.38822	5.6
69.03424	10.7
69.07053	9.3
79.05486	5.7
81.07059	31.1
85.02892	21.2
91.05467	7.8
93.07061	23.5
95.08595	31.6
97.10218	4.0
105.07011	24.6
107.08630	25.7
109.10142	26.7
111.08099	10.3
117.07001	9.5
119.08563	21.9
121.10153	22.0
123.11658	5.2
125.63766	4.7
127.03895	7.1
131.08614	23.8
133.10117	21.7
135.11667	13.6
143.08572	8.3
145.04950	6.1
145.10127	26.6
147.11707	24.2
149.13240	7.2
155.08562	4.4
155.14954	4.2
157.10117	7.9
159.11699	26.3
161.13243	15.0
169.10132	6.3
171.11656	14.1
173.13242	11.2
175.14949	6.3
177.12704	10.6
183.11752	11.4
185.13261	11.9
187.14783	11.1
191.46616	4.5
192.07756	6.7
197.13211	6.0
199.14818	6.0
201.16371	8.1
211.14830	5.4
213.16428	6.5
224.19077	4.8
225.16310	10.9
227.17926	28.6
239.17809	8.4
241.19470	6.8
243.21124	9.6
245.18976	12.5
255.21129	9.5
257.22665	8.9
263.20117	23.9
267.21054	30.4
273.22052	16.0
285.22095	72.9
291.23172	9.8
303.23206	66.6
308.10303	5.8
321.24246	100.0
442.85376	5.4
470.45517	5.5
518.20386	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	518.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	47.2
63.31186	16.7
69.35292	85.8
71.08598	15.8
79.26617	16.0
88.02390	16.5
97.10165	69.1
125.09634	56.3
189.11224	42.6
227.12811	100.0
245.13852	66.7
313.27414	92.2
316.80133	19.5
355.00546	16.7
369.83282	18.8
483.36560	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1137
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
61.02910	1.4
68.99782	3.0
69.25822	4.9
81.03418	1.9
81.07007	1.3
83.11658	1.1
85.02897	5.7
87.00835	1.5
91.05468	2.3
103.03934	1.1
104.05149	0.9
105.03384	1.1
109.02873	2.6
119.04951	5.4
121.02863	8.9
137.05925	1.0
138.32539	0.9
141.01880	1.2
145.02837	4.3
147.04376	1.2
149.02390	2.4
163.03899	4.5
165.01816	14.6
167.03387	4.3
177.01860	1.5
183.02866	3.5
186.42319	0.9
187.03899	2.5
191.03395	2.1
195.02867	2.8
205.05029	2.5
215.03386	1.5
229.04865	1.4
239.07120	2.2
242.05786	1.2
243.02943	2.3
255.06522	1.1
256.07062	1.2
267.06512	14.2
270.05255	4.6
271.05954	6.0
277.08566	1.6
279.06482	3.0
281.05005	1.4
281.08011	9.4
283.05991	58.3
284.06799	15.6
285.07617	0.9
294.05365	1.3
295.05991	18.8
295.09598	7.2
297.04199	1.9
297.07520	3.4
305.08002	5.5
307.05893	3.9
308.06714	5.8
309.04257	1.7
309.07529	28.0
313.07047	100.0
314.07422	3.3
323.09140	22.6
333.07544	9.8
337.07034	48.4
351.08453	4.4
361.06998	11.9
367.08072	2.2
379.08127	58.1
380.08401	2.7
397.09213	7.2
415.10132	4.8
421.09659	1.1
439.10217	4.0
465.08072	2.0
483.09241	34.8
501.10333	15.1
519.11407	5.2
519.23737	3.9
519.31281	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1865
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.02416	2.9
55.01867	6.2
55.05503	3.3
61.02930	3.8
69.03435	4.7
69.57400	6.0
69.57777	5.5
79.05507	4.1
79.94084	2.9
81.03424	6.4
81.07051	7.8
85.02905	25.9
91.05519	4.5
93.03436	3.0
95.08623	3.7
97.02913	6.6
103.05488	6.9
105.07078	5.9
109.06532	5.4
111.04458	3.8
119.08640	3.5
120.75184	2.6
121.42255	2.9
122.03697	5.0
125.05999	3.4
127.03915	5.1
131.04927	9.3
137.05981	100.0
141.06999	3.4
144.05717	3.0
149.06038	3.6
153.05502	3.5
155.04941	4.4
157.06551	4.7
161.05989	16.3
163.07571	10.9
165.05502	11.1
167.30875	2.8
173.05927	3.3
175.07556	8.5
177.05574	3.4
182.42633	2.9
184.09546	2.8
185.06097	3.5
187.07506	4.5
191.07050	9.3
191.08591	3.8
203.07039	6.3
215.07013	5.7
217.08560	14.7
218.07355	8.5
219.08122	8.0
221.05981	2.9
225.67404	2.9
229.06488	3.9
232.07014	4.7
234.06761	6.9
234.08809	6.6
235.07509	6.9
236.08235	4.5
246.06885	8.0
247.07607	12.3
248.08310	3.0
249.09158	7.4
251.10471	2.8
257.40945	2.9
259.07611	4.6
261.09103	12.7
262.06464	3.4
263.07123	7.6
264.07809	4.9
265.08591	5.1
274.06302	6.0
275.07095	9.9
277.08575	13.7
278.09167	4.1
279.10223	9.2
285.22122	6.5
289.08539	29.8
291.10233	7.6
294.09009	4.0
303.23221	4.0
306.08969	7.4
307.06104	2.3
307.09592	53.1
308.10236	4.3
309.11163	15.1
321.11237	60.6
323.12744	19.0
327.12274	54.3
339.12296	49.7
341.13773	6.5
357.13318	34.1
519.16162	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	519.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
63.42664	0.3
69.03425	1.1
71.13146	0.3
72.69733	0.3
76.60398	0.3
76.81337	0.3
79.05479	0.4
81.03405	0.8
81.07046	0.4
84.04504	0.5
85.02910	1.7
87.02388	0.4
89.03931	0.9
93.07036	0.9
94.06544	0.9
95.04996	0.5
95.07354	1.1
95.08620	0.5
96.08117	1.9
97.02894	0.9
103.05481	0.5
107.08636	0.3
108.08111	1.2
109.02902	0.3
110.09678	2.7
116.04981	3.5
120.08114	3.0
121.10129	0.5
122.06055	2.7
127.03894	0.4
136.07584	3.9
137.06007	0.3
138.09154	4.1
144.04451	10.3
146.06012	1.3
148.07607	0.9
149.09648	0.3
162.05527	3.9
166.08656	7.9
172.03944	49.4
173.04311	0.4
174.05528	0.4
190.05002	5.6
204.06573	100.0
205.06883	1.4
222.07657	0.5
279.11328	0.4
283.06009	0.6
313.07104	1.2
316.08023	0.4
325.11932	0.9
329.15128	1.8
331.17932	0.4
334.09235	1.6
339.13464	1.9
343.12915	0.3
357.14447	13.4
400.24033	0.3
458.32419	0.4
487.16556	0.5
501.18414	1.5
519.18475	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	519.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
57.03429	6.2
57.07076	2.5
59.04991	4.4
59.14753	1.7
63.86669	1.6
65.03935	1.8
67.05498	6.4
69.03430	20.4
69.07070	8.9
69.45378	6.0
70.46832	1.5
71.04990	6.3
73.02939	1.5
79.05502	8.9
81.03417	5.5
81.07055	27.0
83.04976	3.4
83.08588	2.0
85.02914	25.3
85.06557	6.8
87.04478	10.9
91.05488	7.1
93.07039	7.1
95.04969	11.0
95.08623	10.8
97.02903	17.2
97.06538	11.9
97.97158	1.9
99.04447	6.3
99.08075	3.0
101.06019	2.9
103.05451	2.1
105.07030	17.4
107.08596	46.2
109.02855	2.0
109.06525	24.8
109.10145	8.2
111.08100	3.1
111.11723	6.6
115.03939	12.2
119.08583	10.8
121.10154	22.8
122.05994	1.9
122.10493	3.3
123.08070	46.0
123.11713	8.3
125.05995	2.1
125.09621	8.9
127.03870	4.4
127.07512	2.1
131.08562	8.4
133.05014	9.6
135.11694	5.3
136.07556	1.9
137.05989	6.2
137.09612	6.2
137.13263	6.9
139.11169	3.9
141.09122	2.3
144.04437	4.1
145.05008	3.6
145.10156	4.1
147.08044	2.2
147.11690	26.6
149.09604	37.7
151.07550	21.3
156.09389	2.1
161.09555	1.8
161.13261	4.9
162.05455	3.8
163.11253	5.1
164.06999	3.6
165.12750	46.6
166.08635	5.0
167.07011	4.2
167.10680	16.0
171.11678	6.5
172.03938	24.3
177.05420	2.6
179.14337	18.0
181.12276	2.3
183.13826	20.5
189.12735	25.8
190.04967	4.8
191.10809	1.9
201.05446	2.9
204.06566	53.8
205.07092	2.3
207.13806	100.0
208.14127	2.2
217.07350	2.1
218.07848	2.8
225.14847	25.4
249.14774	2.7
338.17529	2.0
339.17816	5.1
356.18661	2.7
357.14246	8.2
357.18854	8.3
367.11655	2.7
369.11639	2.3
385.13837	2.0
393.18732	4.7
428.76251	1.7
501.22672	2.2
519.24872	36.9
522.66852	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17410	4.7
69.17815	2.3
175.14912	1.6
185.04214	12.2
203.05246	12.7
225.01282	1.0
313.21320	9.5
357.20361	53.2
358.20840	1.7
365.90125	1.1
475.26672	15.9
519.25610	100.0
520.26276	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	519.2569
Annotation	Asp Thr Gln Arg
Peak:m/z	Relative Intensity
71.45663	0.8
92.38274	0.7
105.09583	0.9
136.37146	1.0
185.04277	2.5
213.42154	0.8
219.41357	0.8
225.01523	1.4
335.97894	0.8
357.20337	31.9
519.25671	100.0
520.26086	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2725
Annotation	Trp Trp Lys
Peak:m/z	Relative Intensity
51.28927	0.3
55.05530	0.5
57.68002	0.3
60.08152	1.6
67.05504	0.5
69.28790	1.9
71.07373	0.6
79.05475	0.5
81.07055	0.7
83.66430	0.3
86.09714	4.0
87.10045	1.1
91.05463	0.6
95.08619	0.4
98.98488	0.5
102.02549	0.4
104.10741	6.5
105.07015	0.5
105.11089	1.6
107.08588	0.6
109.10179	0.5
125.00017	1.9
133.10138	0.4
152.44008	0.4
184.07353	7.9
185.07686	1.3
336.26132	0.5
378.00766	0.4
501.31601	0.8
519.27148	100.0
520.27441	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	519.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
55.05515	39.7
57.03439	6.5
57.07079	20.7
58.86237	2.6
67.05510	42.1
69.07072	63.3
71.04979	4.7
71.08635	11.6
79.05503	21.6
81.07059	56.2
83.08626	45.1
85.02898	4.1
85.06586	3.5
85.10190	8.6
86.09719	11.1
91.05467	3.3
93.07040	27.4
95.08612	50.4
97.02856	2.6
97.06551	7.9
97.10170	34.7
104.10728	3.0
104.80884	2.8
107.08585	20.0
109.10150	28.7
111.08083	5.8
111.11726	11.0
121.10149	41.0
123.11684	12.4
125.00030	7.6
125.09620	5.1
135.11708	35.2
137.13214	4.7
149.13274	12.0
151.14813	5.2
163.14847	3.4
165.16422	6.0
167.14363	3.7
177.16425	5.2
181.22198	2.4
184.07361	32.2
185.07726	4.8
188.93285	2.9
191.18005	4.7
244.32893	2.5
247.24179	45.9
263.81708	2.8
265.22446	5.7
265.25281	94.6
271.84869	2.6
283.26126	5.6
325.03586	2.4
339.28937	100.0
357.30029	7.6
418.35620	2.8
437.20502	8.3
501.34555	3.9
519.36060	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	520.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
61.27149	0.9
65.03949	1.9
66.94277	0.9
67.05494	1.2
67.72968	0.9
69.03443	2.7
70.68353	1.0
71.04999	5.0
71.16521	1.7
77.33701	1.0
79.05497	3.4
81.07056	6.2
84.35913	1.1
85.02908	3.3
91.05487	15.5
93.07050	4.3
94.56944	1.0
95.05019	1.3
95.08611	4.3
99.04455	13.0
101.05508	0.9
105.07034	27.2
107.08578	4.5
109.06526	2.6
109.10156	3.1
119.04951	27.3
119.08553	4.5
121.06511	2.8
121.10162	2.7
123.08084	4.0
123.11710	1.5
127.03862	1.7
131.08595	2.5
133.06491	2.4
133.10126	16.6
135.08105	1.3
135.11662	1.7
143.08572	1.6
145.04893	1.4
145.10127	2.9
147.04414	100.0
147.11659	1.9
148.04678	1.2
151.11229	1.3
159.11729	1.4
161.09631	27.1
161.13330	1.3
163.11183	9.4
171.58556	1.0
179.10670	14.9
189.09113	3.8
189.16388	3.7
191.08563	18.9
191.14302	2.1
201.16327	1.1
207.10170	2.0
207.17464	1.2
209.15373	2.5
219.17612	1.0
237.18518	1.6
272.09198	2.4
287.23700	2.2
305.24667	1.7
359.21924	1.7
383.77014	1.1
463.64713	1.2
521.27161	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95064	4.2
94.06584	2.4
105.06921	2.2
108.04482	2.6
132.04448	3.2
134.06027	2.5
136.04012	2.2
160.03970	3.0
168.57820	2.0
172.07599	3.8
177.74661	2.4
184.07352	2.3
188.03424	9.3
197.10747	2.3
199.08691	4.1
211.08702	7.9
213.06587	3.9
225.10255	5.9
227.08145	4.9
227.11861	9.5
234.15567	2.3
237.10127	4.3
241.06100	3.5
241.09937	2.6
251.08366	3.0
251.11774	2.6
253.09691	5.7
265.09821	10.4
267.11490	2.4
277.09653	5.0
279.07736	2.4
279.10980	2.6
285.12268	5.1
301.12494	4.6
301.15408	14.2
302.12964	3.6
302.16351	2.6
311.10367	3.2
316.11057	2.8
316.14523	3.8
325.11777	4.4
325.15350	4.9
328.14331	3.1
329.11655	4.7
330.12421	13.5
330.15982	4.0
340.14337	5.9
342.12357	4.3
343.13376	5.9
344.10016	2.4
344.13733	7.4
345.14877	3.0
354.15997	6.5
355.12988	2.8
355.16949	6.5
356.13907	3.2
357.10992	3.6
357.14926	4.7
358.11771	18.8
358.15558	6.2
359.12326	3.3
371.12842	7.2
372.13196	13.4
372.17395	3.5
373.14182	7.0
382.15433	3.9
383.12637	4.4
385.14374	5.1
386.15134	13.2
400.16614	9.5
412.83002	2.3
414.13855	3.3
414.18661	3.7
428.16061	7.8
432.19278	5.0
442.17670	25.5
444.19232	5.1
446.17136	13.9
460.18677	98.7
461.19006	5.5
470.17133	10.1
479.13815	5.2
488.18182	100.0
489.17923	4.2
497.15430	2.5
520.21075	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
57.03432	8.7
58.61923	2.9
65.56729	2.5
67.05510	3.7
69.03436	5.2
69.29420	7.4
69.29827	6.2
71.04999	74.6
73.02943	2.7
79.05511	2.9
80.63636	2.7
81.07071	3.4
83.04990	13.3
85.02906	100.0
91.05515	2.5
93.07073	4.4
97.02888	4.6
99.04414	3.0
105.07050	8.7
107.04977	6.3
107.08606	6.3
109.06502	3.7
109.10135	4.1
109.63513	2.5
110.25299	2.5
110.67711	2.7
111.04449	6.0
115.37186	2.6
119.08624	3.3
123.08061	7.0
127.03922	6.7
129.05486	34.5
135.08057	7.5
145.10124	4.3
147.06512	20.7
154.06247	18.0
159.11732	4.4
161.13283	4.0
163.07603	18.1
164.09218	4.6
167.07198	3.4
173.13345	3.3
191.14311	9.7
195.10161	62.9
195.44124	2.4
201.16313	4.0
207.10130	5.2
209.15341	2.9
221.08041	3.1
287.43121	3.0
305.13751	7.2
512.89722	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	520.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.05514	7.6
57.03443	8.0
57.07066	1.1
58.06623	0.4
60.04513	0.7
60.08160	3.1
65.03934	1.0
67.05505	32.0
69.06769	0.5
69.07074	7.2
70.16113	1.0
71.04994	0.6
71.07369	2.0
79.05494	15.0
81.07057	23.9
82.17015	0.4
82.18694	0.6
83.04974	1.1
83.08614	2.2
85.06563	0.7
86.09708	17.6
87.10022	4.8
88.03995	6.8
91.05479	6.8
93.07047	17.5
94.07384	0.8
95.04972	2.0
95.08607	19.4
95.09216	1.1
97.06512	0.8
97.10172	1.0
98.23405	0.6
98.98475	6.6
104.10747	1.8
105.04510	0.5
105.07027	4.0
106.05035	1.7
107.07928	0.7
107.08604	8.6
109.06496	0.5
109.10153	8.0
111.08067	0.8
113.78020	0.4
117.07015	1.0
119.08587	3.2
121.10144	6.0
123.07976	0.5
123.11711	2.0
125.00006	13.3
126.00362	2.0
127.00433	3.3
131.08582	2.1
133.10123	1.8
135.11720	2.8
135.43237	0.6
145.10136	1.0
147.11681	1.3
149.13286	1.3
155.00978	0.5
159.11636	0.8
161.13286	0.9
173.02171	1.2
173.13264	0.9
181.95930	0.4
184.07346	45.6
185.07698	19.2
186.07773	11.9
187.14822	0.6
197.02354	0.5
238.50032	0.5
260.05301	0.7
261.22110	1.6
335.25800	100.0
336.26151	3.7
348.25360	1.9
356.64691	0.5
358.28864	0.5
502.31650	0.8
520.24176	0.7
520.32843	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73209	2.9
55.05505	11.2
57.03436	9.5
60.04532	15.9
60.08171	6.1
62.08500	2.6
65.03947	3.4
67.05505	40.0
69.07059	4.9
69.66744	6.6
69.67139	6.0
71.16567	2.6
74.07744	3.1
79.05487	22.2
81.07064	37.6
82.49017	2.7
83.08631	4.9
86.09692	11.1
88.03999	82.5
89.06033	4.3
91.05476	17.7
93.07048	27.7
95.04984	4.5
95.08612	29.5
97.49894	3.0
98.98468	43.0
101.43761	3.1
104.10721	9.3
105.07022	10.4
106.05028	44.8
107.08583	14.6
109.06567	3.6
109.10159	13.4
119.08548	5.2
121.10141	14.3
124.99978	8.6
130.95107	2.8
131.08566	4.8
133.10132	4.9
135.11711	6.4
145.10132	3.7
147.11691	4.0
149.13248	6.7
155.01051	8.5
159.11652	2.9
161.07980	3.0
161.09273	3.2
161.13208	3.1
173.02112	11.7
173.13271	3.6
174.13554	3.2
184.07349	29.7
185.07655	7.9
240.31604	3.3
243.21016	5.1
261.22131	20.6
335.25812	100.0
336.26294	4.3
348.25342	7.2
363.19269	4.0
393.10486	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	520.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05512	7.0
57.03437	6.9
57.07071	0.8
60.04514	0.6
60.08169	2.6
65.03935	1.5
65.29041	0.3
67.05502	29.8
69.06705	0.6
69.07062	7.2
69.07440	0.4
69.72862	0.8
71.04990	0.9
71.07365	1.0
75.28163	0.3
77.03927	0.3
79.05491	15.6
81.07055	25.3
82.07372	0.4
83.04976	0.8
83.08623	2.7
85.06554	0.5
86.09699	11.8
86.10222	0.7
87.09508	0.4
87.10023	3.3
88.03986	6.5
91.05476	7.2
93.07039	16.4
95.04936	1.3
95.08604	18.3
97.06534	0.9
97.10137	0.8
98.98458	6.2
104.10740	1.2
105.04512	0.7
105.07038	3.7
105.11100	0.3
106.05013	1.4
107.08591	6.2
109.06474	0.5
109.10153	6.7
111.08078	0.6
117.07027	1.3
119.08570	2.9
121.09278	0.5
121.10141	6.0
123.08059	0.5
123.11701	2.2
124.93732	0.4
124.99998	7.7
126.00288	1.5
127.00407	1.3
131.08565	2.4
133.10106	2.0
135.11700	2.9
137.13280	0.6
145.10109	1.3
147.11684	1.3
149.13232	1.6
155.01077	0.4
159.11668	1.0
161.13266	0.7
163.14816	0.4
173.02122	0.8
173.13229	1.5
177.12779	0.3
184.07333	30.2
185.07684	11.4
186.07764	8.0
187.14822	0.6
243.20850	0.4
260.05280	0.7
261.22198	1.8
285.51480	0.3
325.31168	0.4
335.25778	100.0
336.26184	3.7
348.25317	1.4
502.31830	0.5
520.33038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.5
57.07075	2.3
63.29047	1.5
65.39540	1.4
67.05494	5.0
69.03435	15.1
69.29371	7.5
69.59284	1.3
71.04988	5.3
73.77792	1.2
77.51142	1.4
79.05498	2.9
81.03394	1.7
81.07055	5.5
83.08643	1.5
85.02909	11.4
85.06519	2.1
87.04464	7.4
91.05459	5.2
93.07043	3.7
93.39827	1.5
95.04961	3.9
95.08597	7.4
97.02884	11.0
97.06481	1.8
98.22693	2.9
105.07064	7.0
107.08607	7.7
109.06519	95.6
109.10153	20.4
115.03931	13.5
117.07011	2.2
118.06201	1.4
119.08543	3.4
121.10136	5.9
123.08043	8.3
127.03890	1.9
131.08568	10.5
133.04984	8.5
133.10124	12.6
135.08047	35.3
135.11728	2.3
145.10129	3.2
147.04414	4.4
147.11667	2.2
149.09607	3.3
153.09148	4.4
155.91805	1.4
158.10938	2.1
173.13251	16.8
191.14308	62.2
207.17413	1.9
209.15373	100.0
251.08664	1.4
269.22379	2.2
287.23691	4.1
305.24716	2.2
520.25836	4.8
521.27301	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	520.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	4.6
57.07081	0.9
59.04995	0.8
59.23909	0.8
63.69315	0.9
67.05495	2.5
69.03430	17.5
69.07082	0.9
69.49579	0.9
69.49917	3.6
71.05000	1.9
73.86220	0.8
75.04456	0.9
79.05503	3.2
81.03435	1.1
81.07068	3.2
85.02904	13.5
85.06558	2.0
87.04466	8.8
91.05471	3.8
93.07061	3.0
95.04437	0.9
95.04961	4.5
95.08613	3.5
97.02893	14.9
97.06540	3.0
97.44150	0.7
99.04459	0.9
105.07021	8.5
107.08613	6.8
109.06517	39.9
109.10150	8.2
111.08113	1.2
115.03936	13.3
117.07116	0.9
119.08601	3.1
121.06600	0.7
121.10133	3.8
121.38581	0.7
123.08093	4.6
127.03998	1.1
129.07092	1.0
131.08574	15.7
133.04967	13.9
133.10126	52.1
135.08047	15.5
138.99585	0.8
143.08615	1.2
145.05000	1.6
145.10112	3.7
147.11707	3.0
149.09662	1.2
149.13309	2.2
150.07623	3.6
153.03862	0.8
153.09129	2.7
158.10918	1.8
163.14873	1.0
163.53838	0.8
173.13257	37.1
174.13640	1.1
175.14842	2.6
191.14304	100.0
192.02814	1.0
192.14682	2.7
209.15363	44.2
210.15813	1.6
227.91580	0.9
265.11273	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	7.4
55.01869	4.5
55.05510	25.2
62.71029	3.5
65.03960	4.4
67.05511	26.4
69.03424	15.9
69.07049	19.2
70.05704	10.0
71.04990	4.7
72.91351	3.3
73.02929	4.1
74.06075	6.0
79.05479	24.8
80.31781	3.6
81.03426	18.3
81.07060	78.6
81.07504	6.3
83.04990	13.7
83.08637	4.1
84.32527	4.8
85.02913	46.1
87.00832	18.2
91.05473	35.8
91.31400	3.5
93.07047	100.0
95.04995	21.1
95.08607	71.3
97.02921	16.7
97.06528	7.3
99.04471	7.0
105.01878	20.3
105.07037	81.1
107.07919	6.7
107.08598	86.0
109.02181	3.6
109.02864	18.0
109.06519	8.7
109.10159	55.5
111.08117	12.4
111.39357	4.4
116.53209	3.4
117.07040	12.4
117.44044	4.0
119.08584	67.0
121.06480	3.5
121.09280	5.0
121.10146	66.7
122.96815	3.8
123.08081	7.1
123.11725	8.9
124.73540	4.0
125.09644	6.7
127.03925	39.0
129.01794	3.8
130.07761	8.0
131.08569	21.8
133.07529	4.5
133.10144	31.5
135.11694	30.4
135.34274	3.5
139.11200	7.5
143.08540	3.9
144.09380	4.5
145.04961	15.8
145.10130	79.3
147.04448	7.5
147.11678	18.7
149.09549	5.1
149.13286	13.0
151.11189	13.2
157.10130	4.4
159.02910	9.8
159.11703	63.5
161.09718	6.3
161.13252	29.3
163.11230	9.4
173.13231	20.5
175.14825	12.8
189.16519	4.3
191.17975	10.6
201.16364	80.0
219.17480	47.4
231.05020	6.0
237.18576	6.2
258.08072	3.3
284.43549	3.4
362.85419	3.7
454.29855	4.0
476.32523	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	520.312
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29679	3.1
55.05516	16.7
56.05030	5.1
57.07080	7.5
61.02936	4.9
65.03966	5.0
67.05505	30.6
69.03432	27.9
69.07070	38.3
69.22578	19.7
71.05015	7.0
79.05502	15.6
81.03430	6.4
81.07060	100.0
83.04987	4.4
83.08627	10.1
84.04021	4.9
84.04515	86.5
85.02908	26.0
87.00835	7.3
91.05492	16.2
93.07050	45.9
95.04986	6.4
95.08611	58.2
95.12582	3.2
97.02882	9.0
97.06565	5.7
97.10172	12.0
102.05548	57.9
105.01887	8.8
105.07048	35.1
107.08598	53.1
109.02884	4.6
109.06524	37.8
109.10167	68.9
111.08108	4.2
111.11677	5.4
115.03948	4.7
117.06989	4.6
119.08611	27.2
121.06521	4.7
121.10152	41.8
123.08069	11.1
123.11721	43.5
125.09678	5.0
127.03931	8.5
130.04997	49.9
131.08591	13.1
133.04956	3.7
133.10136	33.2
135.08046	14.9
135.11710	25.4
135.12599	4.0
137.09666	4.6
137.13255	15.7
139.11189	10.8
145.04961	5.6
145.10135	23.3
147.08005	6.6
147.11714	23.7
148.06064	62.4
148.28294	3.6
149.09612	9.2
149.13266	20.0
151.11185	11.9
153.12767	5.3
157.10138	4.6
157.75153	3.9
158.08414	3.9
159.11678	18.0
161.09601	25.3
161.13266	14.2
163.11249	9.7
163.14799	6.8
167.14317	4.0
173.13289	12.1
175.11201	14.2
175.14879	11.2
177.12785	5.4
177.16451	3.6
179.10703	11.5
181.12241	14.4
185.13312	3.7
189.12807	5.6
191.14291	21.8
191.17941	4.2
193.12212	7.4
199.14906	3.7
201.16322	19.2
205.16045	3.6
207.17606	3.4
209.15399	25.3
219.17468	13.7
231.05095	5.5
245.22780	6.6
249.22182	3.5
255.21167	5.5
270.16980	3.8
273.22128	17.9
275.23468	4.2
283.20554	4.7
291.23196	36.8
293.24774	5.2
298.16647	7.8
301.21652	38.3
309.24088	6.5
316.17593	24.7
319.22739	42.1
336.25433	4.9
337.23676	6.9
388.25165	3.9
402.26337	7.6
420.27429	7.8
422.28479	6.7
430.26096	5.6
438.28558	5.0
448.26755	17.0
466.28055	36.2
484.28824	4.7
521.27734	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	520.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65511	0.3
55.05503	1.2
56.05023	1.2
56.95453	0.3
58.06602	1.3
59.07391	0.4
60.08165	15.0
67.05508	2.5
69.07052	0.8
69.70415	1.0
71.07014	0.5
71.07370	5.7
76.70075	0.3
79.05485	1.0
81.07059	2.7
86.09706	48.6
91.05492	0.4
93.07051	0.8
95.08599	1.6
97.10162	0.4
98.01332	0.4
98.98459	3.0
104.10742	93.8
105.06945	0.4
105.11081	0.8
121.10110	0.5
125.00002	26.2
141.86697	0.4
146.65819	0.3
159.18956	0.4
163.01540	0.4
168.87082	0.3
181.02481	0.4
184.07338	100.0
185.07701	0.8
208.78265	0.3
233.02849	0.4
258.11029	1.0
262.84470	0.3
337.27579	0.6
367.72708	0.4
502.32993	6.1
503.33524	0.4
520.33978	29.1
521.34070	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.8
58.06603	0.4
60.08162	7.2
67.05503	1.0
69.07076	0.4
69.10049	1.1
71.07375	3.6
79.05538	0.2
81.07053	0.8
86.09705	34.1
93.06953	0.2
95.08601	0.4
98.23521	0.4
98.98466	3.5
104.10719	2.6
124.99999	23.5
134.10625	0.2
136.91095	0.2
146.22220	0.2
170.03693	0.2
184.07336	100.0
185.07648	0.6
188.11008	0.2
354.36145	0.2
502.32617	1.0
520.33972	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2606
Annotation	Premnaionoside
Peak:m/z	Relative Intensity
57.03423	4.6
63.86817	2.3
67.05499	2.6
69.03426	19.9
69.07099	3.2
69.45346	9.7
70.06595	8.7
71.04998	7.6
74.85184	2.1
81.07068	5.7
83.08635	2.8
84.08166	2.6
85.02895	17.5
85.06548	6.1
87.04481	11.4
89.03932	6.0
91.05503	6.2
93.03350	2.2
93.07044	8.7
95.04972	67.2
95.08591	6.0
97.02887	19.2
97.06507	5.5
99.04454	17.0
99.08115	9.7
105.07047	6.3
107.08608	13.9
109.10158	19.6
115.03940	17.0
115.06843	2.3
115.07581	9.2
117.03370	20.2
119.08595	4.3
120.08150	6.4
121.06503	3.8
121.10146	4.0
123.11708	10.2
127.07588	3.7
129.17039	2.4
131.08553	6.5
133.04997	15.6
133.10127	54.6
135.08046	3.7
145.02859	51.3
149.06000	14.1
149.09587	3.4
149.13242	4.3
151.11198	11.7
153.09117	28.9
161.88309	2.4
163.03938	8.6
167.07098	2.9
169.12210	5.4
173.13245	19.2
177.05466	56.3
180.07773	2.7
181.08517	3.6
191.07127	3.1
191.14319	36.4
201.05486	8.6
209.08081	23.4
209.15356	100.0
210.09015	3.2
227.16385	24.0
248.12686	3.0
294.15762	3.8
334.30988	2.5
355.11707	3.8
370.14685	2.6
392.62930	2.6
503.23721	12.8
521.24994	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.5
59.01854	0.4
67.05503	0.4
70.70620	0.5
81.07066	1.5
85.02895	0.7
91.05500	2.1
93.07048	0.7
95.08619	1.0
99.04436	1.1
101.66364	0.5
102.89397	0.4
105.07005	2.4
106.07379	1.1
107.08599	0.8
109.06506	0.7
109.10144	0.6
119.04932	2.2
119.08561	1.2
120.05283	1.0
120.08890	0.5
133.10168	1.2
147.04402	7.0
148.04768	3.7
161.09641	1.4
162.10014	1.0
162.13600	0.4
163.11221	0.8
179.10696	0.9
180.11040	0.8
185.04228	10.0
186.33125	0.4
189.16489	0.9
190.16788	0.9
207.91957	0.4
209.15456	0.7
223.64078	0.4
255.84276	0.5
315.26889	0.5
359.21945	34.4
360.22253	1.0
521.27222	100.0
522.27380	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	521.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85172	0.2
64.08695	0.2
67.05479	0.3
69.35017	1.1
73.37514	0.2
76.44206	0.2
79.05482	0.2
81.07061	0.4
86.36874	0.2
91.05480	0.3
93.07063	0.3
95.08620	0.5
97.10195	0.2
105.07025	0.2
107.08623	0.2
109.10167	0.5
119.05001	0.5
135.11732	0.2
137.87891	0.2
147.04405	1.1
149.02451	0.2
162.13754	0.2
163.03951	0.2
185.04189	1.6
198.35687	0.2
201.03645	0.3
201.32823	0.2
203.05354	0.4
283.11542	0.2
295.10727	0.3
300.11780	0.5
359.21918	8.0
360.22375	0.2
368.10330	0.2
399.11862	2.1
402.25854	0.2
422.39142	0.2
477.34241	0.2
521.27197	100.0
522.27600	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	521.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.79143	1.5
69.79503	1.4
72.08147	0.8
84.08131	2.5
89.03909	2.1
89.14993	0.7
98.23521	0.7
100.11285	0.9
100.26316	0.6
102.09168	3.2
116.24021	0.8
117.03393	8.6
119.11814	6.2
145.02850	45.5
145.25664	0.7
146.03220	1.0
148.26213	0.7
149.05995	3.2
166.00941	0.7
177.05472	100.0
178.05788	1.8
248.12830	15.0
260.12946	1.1
277.12473	1.4
277.15479	26.7
278.15817	0.7
279.52740	0.6
284.76147	0.7
290.84497	0.7
295.16537	71.3
296.16776	2.1
355.43036	0.8
363.31876	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30165	0.4
70.06574	1.1
71.32751	0.3
71.74413	0.4
72.08154	0.6
84.04494	0.4
84.08132	0.7
86.09707	1.2
91.05407	0.4
102.66830	0.4
103.05415	0.6
120.08094	2.4
130.06625	0.5
140.16542	0.4
141.33693	0.4
147.04501	0.5
163.03903	1.3
167.03217	0.7
167.07027	0.6
198.05319	0.8
203.05257	0.7
270.07449	0.8
341.49789	0.4
342.09460	5.9
360.10522	36.5
361.10947	0.8
383.02432	0.4
383.89880	0.4
522.15808	100.0
523.16193	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	522.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.36015	3.9
61.02921	37.0
62.59474	3.6
65.72101	3.6
69.03431	20.0
71.45357	4.3
73.02912	10.8
77.29515	3.3
85.02908	100.0
89.95776	4.0
91.03963	40.0
94.93013	15.9
97.02899	32.5
109.02876	5.3
112.89613	13.0
127.03902	53.2
145.04956	61.7
163.06015	95.0
212.85242	26.8
214.85138	6.6
244.90181	4.8
250.80907	12.3
300.86838	16.9
325.11285	17.6
326.84735	13.6
535.72272	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	522.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.42435	1.0
57.03434	7.0
59.60186	1.0
61.02637	1.6
61.02930	28.2
69.03434	18.7
69.21874	4.7
73.02919	13.4
74.90151	1.0
81.03403	3.2
85.02907	100.0
87.04456	1.8
91.03378	2.2
91.03956	42.0
97.02893	36.9
97.49255	1.1
99.04432	4.9
101.02415	2.3
103.03922	3.8
109.02887	10.0
115.03947	2.9
127.03918	53.0
143.19872	0.9
144.10533	1.0
145.04967	62.3
163.06021	87.1
232.02841	1.2
284.89383	1.4
289.09152	2.4
314.69366	1.1
325.11304	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	522.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00655	0.5
51.67591	0.4
51.88360	0.5
55.05509	2.4
57.03436	1.6
60.04515	0.6
60.08157	1.1
62.98263	1.3
67.05508	5.4
69.07067	2.4
79.05495	1.6
81.07070	5.7
83.08624	1.7
84.58858	0.6
86.09717	3.7
87.10069	1.1
88.03998	1.3
91.05479	1.2
93.07055	1.9
95.08624	3.4
97.10166	0.7
105.07049	1.3
109.10141	1.4
110.21078	0.6
111.90500	0.7
119.08564	1.3
121.10200	0.7
124.86008	0.6
124.93774	65.1
125.00010	3.3
142.94804	13.6
167.97984	39.9
176.99260	1.7
184.07352	10.5
185.07715	3.2
185.99036	14.4
186.07835	2.2
193.05006	0.7
198.97453	2.6
320.57388	0.6
333.24774	0.9
337.27374	17.8
443.25797	0.6
454.45389	0.6
461.20367	13.0
462.20642	1.2
479.21179	4.4
504.33792	0.9
522.25677	100.0
523.25757	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	522.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16389	1.0
54.41851	0.9
75.04489	1.4
79.05511	1.3
85.90890	1.1
91.05498	3.4
93.07032	1.4
95.04958	1.4
95.08630	1.1
105.07049	2.3
107.04952	6.0
108.05755	4.2
121.06527	2.8
131.04836	1.2
135.04402	1.5
136.05206	7.8
137.06004	3.0
138.06767	2.0
139.91238	0.9
145.06470	1.1
147.08064	2.4
148.05206	8.8
151.07549	100.0
159.08083	2.4
161.05994	1.2
163.07539	3.7
164.08318	1.2
165.05458	1.3
165.09113	9.2
166.06262	16.8
167.07025	2.2
171.08102	2.0
173.06038	1.8
173.09631	1.3
174.06770	1.9
175.07561	2.5
177.09099	8.1
179.10687	2.2
180.07771	1.8
181.08598	78.9
182.09023	1.1
186.10332	1.4
187.07611	3.2
188.08376	4.6
189.09102	6.0
190.09906	1.1
191.10660	3.2
193.08665	2.7
195.10173	4.7
201.09109	4.6
202.09897	3.3
203.08890	1.9
203.10667	10.5
207.10175	2.9
216.11497	3.9
217.08606	1.6
217.12216	10.3
218.09393	1.1
219.10161	1.8
233.11763	4.5
247.13260	12.2
286.57373	1.3
353.17526	2.0
354.18240	4.4
370.17792	16.0
385.20108	63.4
386.20358	1.4
403.21378	3.0
422.48489	1.1
522.33972	1.5
522.43463	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.2
57.03433	3.0
67.05493	1.2
67.05820	0.7
69.03065	0.8
69.03426	11.4
69.07063	5.5
69.32122	3.3
70.06564	0.6
75.04458	0.8
75.70968	0.6
78.73390	0.6
79.05457	0.9
81.07043	2.1
81.79706	0.5
83.08607	1.6
85.02911	7.9
87.04467	6.5
91.05473	2.0
93.07033	1.3
95.04945	0.7
95.08605	4.1
97.02896	8.8
105.07045	6.1
107.08599	2.0
109.10160	2.9
115.03940	11.6
119.08582	29.2
120.08124	1.0
121.10107	1.8
127.03938	1.1
133.04982	10.7
133.10126	23.8
135.11673	2.0
137.09628	1.8
145.04997	1.3
145.10150	1.3
145.13907	0.6
147.11682	3.8
149.06015	0.8
150.07628	1.7
160.12463	1.1
169.01280	0.5
173.13174	0.8
175.14822	100.0
176.15129	2.2
184.95296	0.6
193.15901	7.5
209.08046	0.9
210.13126	0.6
241.06932	0.6
259.08185	0.8
281.61243	0.5
337.20111	0.7
454.15952	0.6
522.19476	1.1
522.27368	9.4
523.28705	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.05501	1.5
57.03442	8.0
59.04994	0.9
60.04480	0.7
67.05498	1.9
69.03066	1.4
69.03429	26.6
69.07060	2.1
69.24032	2.9
71.04982	1.5
73.02905	0.8
79.05482	2.0
81.03401	1.4
81.07048	7.4
85.02405	1.3
85.02902	21.9
87.03966	1.4
87.04468	18.2
89.49660	0.7
91.05474	3.1
93.07040	5.5
95.08603	13.2
97.02893	23.8
99.04478	1.0
99.08089	4.7
105.07011	7.4
107.08591	7.7
109.02883	0.8
109.10146	1.2
113.09627	2.4
115.03931	32.2
117.06986	1.0
119.08581	46.1
121.10129	1.1
123.11691	2.8
127.03911	3.0
133.03946	1.3
133.04967	29.5
133.10127	82.3
134.10463	0.8
135.04375	0.8
135.11691	18.7
137.05986	3.7
137.09663	1.0
138.06276	1.2
145.04958	3.4
147.11697	2.8
150.07639	4.6
163.06023	1.0
164.61060	0.7
175.06142	0.7
175.07523	1.0
175.14819	100.0
176.15167	1.8
179.08536	1.3
191.08432	0.7
193.15877	28.6
207.08055	2.5
211.16930	80.9
212.17268	1.5
229.07152	0.7
234.06731	1.1
235.07574	3.9
241.06900	0.9
247.07610	1.2
249.09204	1.0
259.08069	1.5
263.06815	0.9
267.10123	5.7
277.08841	2.8
295.09967	4.6
314.14825	0.8
325.10675	1.2
329.11404	1.0
522.19391	1.6
522.27533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.7
56.28272	4.6
66.04047	3.9
67.05500	11.7
68.14801	4.2
69.03423	8.0
69.07073	9.9
69.26672	4.6
71.03539	3.7
71.04982	18.7
77.24823	4.0
79.05487	13.6
81.07057	72.2
85.02902	13.5
87.00834	7.8
90.40424	4.3
91.05476	14.0
93.07051	39.4
95.04961	4.2
95.08582	27.7
97.02885	7.6
97.06525	6.3
105.01854	14.5
105.07030	36.8
107.04953	15.6
107.08577	46.9
109.02855	5.4
109.10153	34.7
117.07088	4.8
119.08580	80.1
121.10150	10.0
123.08064	4.9
123.11691	16.3
127.03938	12.8
127.11203	25.2
133.10139	29.3
135.11700	100.0
143.10670	10.1
145.04958	6.3
147.04362	6.0
147.11671	26.3
149.13239	5.7
153.12741	8.7
161.13251	13.7
163.03900	10.5
163.14818	5.8
177.16362	4.7
203.17947	71.8
221.18993	66.1
231.04990	8.1
249.05830	4.9
275.09280	5.7
318.02301	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32497	0.2
55.05505	0.3
56.05035	0.6
58.06617	0.4
59.07392	0.2
60.07867	0.3
60.08165	5.8
67.05508	0.2
69.07077	0.5
70.73813	0.3
71.07378	2.7
81.07075	0.2
86.09707	28.6
94.40743	0.2
95.08614	0.2
97.10210	0.2
98.22831	0.2
98.98466	3.2
104.10740	3.0
125.00006	20.1
152.01660	0.2
166.02798	0.2
184.07341	100.0
185.07681	0.7
201.33510	0.2
210.99471	0.1
271.19150	0.2
339.29178	0.2
504.34604	1.1
522.35559	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	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05516	1.8
56.05026	1.7
57.03423	0.4
57.07078	0.4
58.06337	0.4
58.06603	1.3
59.07405	0.3
60.08165	17.5
60.24321	0.3
67.05502	1.3
68.45546	0.3
69.07094	2.2
70.73661	0.3
70.73992	0.3
71.07375	6.6
71.08666	0.3
78.99616	0.3
79.05490	0.6
81.07065	1.2
83.08612	1.0
83.82645	0.3
86.09708	52.7
87.10067	0.4
93.07041	0.5
95.08614	1.7
97.10201	0.6
98.98457	3.6
103.40132	0.3
104.10744	97.1
105.11089	0.8
107.08565	0.4
109.10164	0.6
113.42201	0.3
115.03707	0.4
116.79317	0.3
121.10162	0.6
124.34701	0.3
125.00006	30.0
135.11737	0.7
154.40941	0.3
163.01546	0.7
181.02599	0.6
184.07344	100.0
185.07695	1.1
258.11029	1.1
329.74142	0.3
339.29028	1.3
445.27530	0.4
504.34534	9.1
522.35583	36.3
523.35620	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38931	0.2
52.90458	0.2
53.03939	0.6
55.01867	0.6
55.39889	0.2
57.03448	0.2
57.71419	0.2
61.02928	0.3
67.01865	0.7
68.99791	0.5
69.03430	1.7
69.82153	0.5
71.04965	0.3
73.02914	0.4
77.03915	0.3
78.76708	0.2
79.05503	0.7
81.03416	1.9
83.01345	0.2
85.02905	5.1
86.12949	0.2
87.00832	1.6
95.04971	1.0
97.02892	1.4
99.04471	0.9
105.01881	1.1
105.04496	0.3
107.04956	100.0
108.05302	0.9
109.02867	1.7
117.01846	0.2
121.06488	0.4
123.04436	0.3
127.03921	9.9
129.01865	0.3
131.04901	0.4
139.03868	0.2
142.92482	0.2
145.04973	1.1
149.05984	4.2
151.03905	4.9
153.01834	0.4
159.02872	1.3
162.80774	0.2
169.04964	23.4
170.05325	0.3
173.05962	0.2
175.14885	0.2
181.04953	1.6
193.04889	0.2
231.04926	0.5
242.72505	0.2
257.08051	0.4
275.09134	42.8
276.09561	1.0
317.10168	0.4
357.23462	0.2
383.11658	0.3
463.18353	0.7
523.29041	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73804	1.1
53.43583	0.9
66.93142	0.9
67.45010	1.0
79.05495	1.0
81.07046	2.2
83.08612	1.0
85.02932	1.5
91.05492	2.2
93.07059	2.1
95.08588	2.1
97.44501	0.9
98.97540	1.0
99.04446	1.2
119.04922	1.5
121.10124	2.2
138.96825	1.2
147.04416	2.5
148.04718	2.1
180.97803	1.5
185.04283	1.3
191.32858	1.1
243.04749	3.3
245.06306	2.3
252.08319	2.0
257.15131	4.3
259.16672	8.2
268.11661	1.2
275.16199	15.8
287.00482	2.1
287.03741	42.8
289.05301	43.8
296.10916	1.8
300.81799	1.0
368.09601	2.1
370.11270	1.8
399.11746	3.9
400.12207	12.8
437.21658	1.4
463.12494	1.6
479.22601	19.4
522.27338	2.2
523.21301	100.0
523.28339	32.6
523.90222	1.4
524.21655	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	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16592	0.8
61.66208	1.0
67.05491	1.7
69.29055	5.0
74.07447	0.8
79.05515	1.3
81.07052	2.0
85.02876	1.3
91.05471	1.5
91.94356	0.9
93.07059	1.5
95.08614	2.2
97.02899	1.4
105.07050	1.5
107.08620	1.3
109.10182	1.3
119.08613	1.3
123.04477	1.2
128.06233	1.1
129.07034	5.3
131.04988	1.9
131.08586	7.5
137.05994	2.2
141.06969	5.9
143.08540	0.9
143.59679	1.0
144.05733	1.3
146.57874	0.9
147.04427	1.5
157.06508	4.8
158.07291	3.1
159.08096	4.9
160.05186	1.3
161.05974	1.1
169.06482	3.1
170.07358	1.5
174.06772	12.3
175.07602	2.9
186.06796	3.8
189.09123	24.8
189.10818	1.4
191.10701	1.3
201.09071	8.2
219.10172	100.0
220.10413	1.2
485.22183	1.1
523.21277	1.5
523.29187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07453	0.3
72.08156	1.3
73.34338	0.3
95.08627	0.3
111.98742	0.3
131.29332	0.3
143.03181	0.3
185.04228	0.7
203.05328	0.8
235.76105	0.3
259.07858	0.5
261.33191	0.3
270.15005	0.3
478.83798	0.3
523.28772	100.0
524.29047	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	523.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	12.6
56.50093	2.4
56.96566	4.0
57.03448	3.6
57.07063	7.4
59.05001	3.6
66.79395	2.4
67.05512	17.6
68.65774	2.2
69.03428	4.4
69.07069	100.0
71.04993	3.1
71.45905	2.5
79.05482	6.0
81.07059	64.9
83.08615	9.6
85.06543	9.7
91.05493	6.1
91.70571	2.3
92.63651	2.2
93.07049	20.2
95.04974	3.9
95.08607	38.7
97.06536	9.8
97.10184	3.7
98.97553	6.2
99.04444	2.2
99.08103	6.7
105.07034	9.2
107.08579	14.2
109.10159	28.9
111.08103	4.3
111.11732	26.1
119.08568	9.4
121.08600	2.7
121.10146	14.7
123.11709	32.9
127.11190	4.0
129.12790	3.4
132.24106	2.5
133.10100	6.2
135.11687	8.8
137.13251	4.0
139.11168	27.1
147.11713	7.2
149.13261	8.1
151.14790	5.5
155.10704	2.7
157.12218	5.5
158.99507	2.8
161.13252	5.7
163.03798	2.8
163.14783	3.9
165.12767	2.8
167.14262	3.6
177.16359	4.0
179.14287	4.6
189.84186	2.8
205.19312	2.7
271.24115	3.4
277.25290	6.3
289.25180	9.3
295.26312	43.5
307.26309	80.8
325.27463	24.4
331.14352	2.4
334.68036	2.9
343.28528	2.6
349.15179	4.8
377.22989	4.8
395.24075	3.8
438.05878	2.9
463.18417	9.2
512.62976	2.5
523.21130	8.7
523.28418	60.8
524.20679	5.2
524.28375	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	16.6
56.07108	3.5
56.27451	3.5
56.32204	2.7
57.07084	4.4
59.73728	4.3
67.05505	24.6
69.07072	65.8
69.31956	6.1
69.32367	12.6
71.04991	7.6
79.05486	10.3
81.07066	67.1
83.08630	15.9
85.02892	10.1
85.06546	10.7
91.05460	7.5
92.20517	3.2
93.07043	38.3
95.04984	9.8
95.08611	49.7
97.06519	4.2
97.10149	4.1
98.22557	4.3
98.97505	3.9
99.08096	6.8
101.06019	6.9
105.07041	15.2
107.08589	27.8
109.10158	39.6
109.80508	3.3
111.08107	5.6
111.11720	17.6
119.08576	10.7
121.10132	18.5
123.11694	38.1
125.13338	3.2
127.11179	5.6
133.10155	11.1
135.11700	20.2
137.13275	9.6
139.11195	10.3
147.11682	11.6
149.13243	13.4
151.14861	5.5
153.12741	12.9
159.11731	6.2
161.13301	5.9
163.03908	3.8
163.14830	6.3
165.12831	6.8
215.17804	4.3
239.19951	4.1
271.24127	5.1
289.25351	8.6
295.26270	18.4
307.26346	41.4
325.27402	45.5
326.27792	3.8
367.84808	3.6
419.19714	5.4
479.21408	4.7
523.21149	21.3
523.28595	100.0
524.28552	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	523.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98209	1.0
57.07071	2.3
68.63692	1.1
70.96522	1.4
71.08633	2.9
81.07071	1.5
83.08599	1.3
95.08600	2.1
112.72626	1.2
174.91327	1.3
211.09424	5.8
267.12088	1.9
313.27350	1.5
405.98654	1.5
493.55588	1.3
523.36060	100.0
524.36426	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	523.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88931	0.9
53.45586	0.9
55.05506	3.0
58.12962	1.0
60.08176	1.6
67.05499	4.9
69.20743	6.5
79.05500	1.7
80.72325	1.0
81.07054	4.0
83.08629	1.6
83.79608	1.0
86.09719	3.7
93.07050	3.2
95.08631	2.5
97.10188	2.7
104.10728	5.2
107.08608	2.5
109.10139	1.5
113.78340	0.9
119.08559	1.0
125.00008	2.8
125.09634	2.7
135.11742	1.0
147.11684	1.3
150.69611	0.9
176.57698	1.0
184.07379	9.1
185.05905	0.9
189.11206	1.5
200.28299	1.0
210.45221	0.9
227.12683	2.1
245.13835	2.4
261.22327	2.9
322.99408	1.2
335.25894	2.8
396.71793	1.3
465.24286	1.2
505.35522	2.3
523.39740	100.0
524.39484	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	524.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55713	6.5
52.67584	6.5
56.79640	6.7
71.44872	7.3
72.08178	6.4
88.36657	6.7
91.05482	17.2
95.04993	13.3
103.05454	19.9
105.26395	6.6
106.04185	22.4
121.06525	30.3
125.06032	6.8
131.04944	30.6
132.05708	15.2
137.06000	7.9
145.06490	10.1
147.04456	8.1
148.05202	7.2
149.05974	38.9
163.07588	12.5
167.07039	80.7
173.06003	20.9
177.05544	33.7
179.07007	16.9
180.07814	25.1
181.08537	9.1
182.09389	8.4
191.06993	48.2
192.07848	58.8
201.05396	18.4
201.72050	7.3
204.04204	22.3
209.08069	77.2
212.10687	13.9
219.06548	100.0
219.08488	12.1
230.11784	31.0
231.06508	15.1
249.07674	23.4
299.95840	7.3
316.45697	7.1
345.66791	7.5
353.10144	12.6
355.11691	14.8
373.12769	19.3
385.12735	15.5
392.17050	23.6
407.25577	6.8
453.14957	7.7
469.17651	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	524.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37105	0.7
55.01863	1.6
57.03415	1.0
65.03949	1.0
66.04709	0.7
67.05500	2.6
69.57073	2.7
73.59466	0.7
75.04462	1.3
77.03905	1.1
78.04713	1.2
79.05489	4.4
81.03421	0.7
81.07050	1.4
85.02897	1.3
89.03926	0.6
90.04688	1.2
90.08340	0.6
90.08920	0.7
91.05477	7.0
92.88207	0.7
93.03412	5.5
93.07040	2.8
95.04955	2.8
95.08609	1.5
97.02960	0.6
97.06525	0.9
98.22743	1.4
99.10416	0.7
103.05470	9.1
104.06239	1.1
105.04549	1.0
105.07037	15.6
106.04176	9.9
107.04974	3.7
107.08611	0.8
108.05745	0.8
109.02866	1.6
109.06500	2.1
109.10128	1.1
111.19772	0.7
115.05464	1.2
118.04170	17.6
119.04929	2.3
119.08620	0.9
120.05724	2.0
121.06504	14.1
122.07281	2.1
123.08089	1.2
124.05228	7.8
125.06013	4.1
131.04919	2.6
132.05682	1.4
133.05539	1.4
133.06496	22.8
133.07512	1.1
134.00198	0.7
134.03658	2.0
134.07280	2.0
135.04401	3.3
135.08060	4.4
136.05176	0.9
137.05986	3.6
139.07484	1.1
143.04906	0.7
148.05200	2.6
148.14604	0.7
149.05986	22.3
150.06761	11.1
151.02116	0.8
151.07547	3.8
153.05484	0.9
153.09134	4.5
161.05981	6.4
162.01404	0.8
163.03899	2.2
163.07568	2.0
165.09106	18.1
165.10419	1.3
167.07060	3.0
177.05478	15.0
178.06241	0.8
180.07791	1.1
181.08591	12.6
186.65013	0.6
190.00916	0.8
191.07045	4.7
192.07951	1.4
193.08609	100.0
194.09033	1.6
195.06499	1.5
207.08910	0.7
209.08093	71.3
223.04245	6.8
229.14220	1.0
335.09436	3.1
385.16446	2.1
524.28510	15.0
525.23108	27.4
525.29968	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	2.4
57.03452	6.6
71.04992	79.0
71.45119	2.8
73.02921	3.2
75.04503	6.2
79.23577	2.2
83.04981	12.9
85.02906	100.0
95.64636	2.2
97.02903	3.2
97.24473	1.9
111.04486	4.8
127.03915	3.5
129.05478	47.1
136.06236	3.7
140.04672	12.8
145.04916	2.4
145.11609	2.0
145.67577	2.2
147.06503	19.1
155.07051	6.4
160.79724	2.1
164.09225	3.0
181.05037	7.8
199.06018	23.4
205.14134	1.9
223.06200	3.7
225.04063	5.6
245.94942	2.3
249.07652	2.9
251.05557	4.7
265.08630	2.5
273.07474	2.4
279.04401	2.0
327.10922	4.8
396.17786	2.0
460.07001	2.8
524.26837	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	524.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01870	2.1
56.15280	0.8
57.03440	3.0
61.02926	3.6
69.03431	13.0
69.55509	3.8
71.04980	2.0
73.02922	2.1
77.03949	0.9
79.05497	3.7
79.54814	0.9
81.03421	6.2
83.01348	0.8
85.02397	1.9
85.02904	30.5
87.04479	2.0
91.03960	1.9
91.05486	7.1
93.07044	2.1
95.04976	2.1
97.02899	12.9
98.23385	1.7
99.04476	1.6
103.05470	9.1
104.06258	1.3
105.07037	12.3
105.91920	0.8
107.04970	7.0
109.02895	2.8
109.06494	1.1
114.04692	1.3
115.05458	4.4
117.06994	2.0
118.04185	2.7
119.04949	3.8
121.06506	5.2
123.04425	16.0
124.05173	0.9
127.03903	6.6
131.04922	18.6
132.05719	21.4
133.02853	2.1
133.06494	18.2
135.04416	8.5
137.05963	4.5
143.04961	2.1
143.06044	1.3
145.04993	3.8
145.06537	2.5
147.04413	3.0
148.05260	4.4
149.05977	9.4
151.03963	1.0
151.07561	3.4
152.07060	6.5
153.05467	0.9
154.06262	1.0
159.04486	1.2
160.05206	11.4
160.06418	1.2
161.05974	49.4
162.06679	1.2
163.03952	2.5
163.07553	6.6
164.04686	1.6
165.05473	7.0
167.07031	17.2
167.08330	1.5
173.05989	6.8
175.07603	1.3
176.04709	3.7
177.05505	13.9
177.06964	1.4
179.07022	15.7
180.07825	18.6
180.09293	1.6
181.04956	1.5
181.08591	9.1
182.09431	3.0
191.07033	46.1
192.07809	75.1
193.08601	54.1
194.09383	2.9
195.08127	1.0
200.06769	1.0
204.29582	1.1
205.08685	3.1
206.07278	1.0
207.06502	1.8
207.08199	2.0
209.08049	10.1
209.09688	0.8
210.08871	2.4
223.07542	1.7
224.08279	0.9
225.09079	1.0
235.07611	1.5
237.09108	2.1
249.09088	1.2
251.07115	1.4
252.07863	1.1
253.08551	1.0
255.10231	1.6
263.07077	1.3
265.08652	1.9
266.09277	0.9
267.10074	2.0
267.59808	0.8
271.13220	1.1
277.08701	1.3
278.12817	0.8
283.09702	3.8
284.10483	1.0
295.09671	9.1
297.11444	1.4
312.09964	1.0
314.88397	0.9
315.12305	12.9
327.12238	22.8
331.93912	0.8
345.13324	67.7
346.13663	1.2
362.15973	100.0
363.16455	2.8
372.14182	3.3
404.16974	1.4
488.19662	1.9
506.20313	3.3
524.14923	1.8
524.21307	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	524.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01870	1.9
61.02921	3.7
69.03423	9.3
69.07073	2.0
69.35229	7.5
70.06596	7.1
71.05006	1.9
73.02930	1.5
77.03938	1.3
79.05508	1.9
79.18716	1.1
81.03417	2.0
85.02916	18.7
86.09713	4.2
91.05494	4.8
93.07063	4.1
95.04987	1.4
97.02896	8.0
100.44550	1.4
103.05470	9.7
104.06282	2.2
105.07036	3.9
107.04889	2.7
109.02866	1.6
118.04138	1.8
119.08663	1.5
121.06510	91.3
123.04462	4.1
127.03928	4.1
131.04935	21.5
132.05722	26.9
132.06639	2.1
133.06506	5.0
135.04463	2.4
137.04033	1.3
137.06013	3.0
138.09145	31.1
147.04428	3.5
147.11673	2.7
148.05249	3.0
149.06004	2.8
160.05243	14.8
161.05994	18.9
163.07574	4.8
164.07053	1.8
165.05467	1.6
167.07037	7.4
173.05983	2.8
176.04755	1.7
177.05467	12.0
179.07024	4.5
180.07813	3.8
181.08614	6.0
191.05278	2.5
191.07037	51.2
192.07814	100.0
193.08583	8.2
205.08607	3.1
235.07632	1.6
273.47852	1.6
295.09628	4.3
315.12381	5.8
323.12936	1.8
327.12274	50.6
345.13309	31.7
362.16003	75.3
363.16269	2.7
488.19284	3.6
506.20114	4.5
524.12561	3.8
524.21155	19.3
524.27545	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01871	2.9
57.03433	1.7
61.02919	3.4
69.03431	12.4
69.53802	4.5
73.02917	2.5
74.47553	1.0
79.05503	3.0
81.03424	4.9
81.70260	1.0
85.02908	27.2
86.33929	1.1
87.04459	2.1
90.93153	0.9
91.03959	1.3
91.05492	5.8
91.98498	0.9
93.07048	1.7
95.04958	2.8
97.02896	9.7
99.04462	2.4
103.05465	9.1
104.06268	2.3
105.07026	14.7
107.04961	7.0
109.02880	3.5
114.04668	1.2
115.03907	1.0
115.05452	3.5
117.06989	3.3
118.04139	2.5
119.04926	4.1
121.06498	6.6
123.04440	15.2
127.03931	4.2
127.88682	0.9
131.04936	17.5
132.05717	21.7
133.02840	2.2
133.06499	18.5
135.04419	9.4
135.08032	1.0
136.05235	1.1
137.05963	3.9
143.04958	1.0
143.06062	1.1
143.65314	1.1
145.04895	1.4
145.06497	3.0
147.04390	3.6
148.05202	4.3
149.05983	10.2
151.07553	3.1
152.07076	5.9
159.04401	1.1
160.05199	12.2
161.05975	53.3
163.03896	1.7
163.07542	6.6
164.04726	2.2
165.05438	4.1
167.07054	15.0
173.06023	5.2
175.07472	1.5
176.04677	2.1
177.05472	15.3
179.07040	13.3
180.07826	20.3
181.08611	8.3
182.09383	2.9
191.05272	2.0
191.07034	45.6
192.07814	68.2
193.08606	54.7
194.09343	4.7
195.06371	1.1
205.06689	1.1
205.08607	3.0
207.06549	1.4
209.08076	9.7
209.09828	1.3
210.08868	3.1
211.09650	1.3
223.07590	1.7
235.07678	1.6
239.10590	1.2
251.06912	1.1
252.07523	1.2
253.08723	1.3
255.10129	1.7
263.07098	1.6
267.10168	2.2
282.08777	2.0
283.09659	2.3
295.09631	5.5
297.11526	1.3
299.12775	1.0
315.12350	8.9
327.12265	20.6
331.78619	1.0
345.13336	71.9
346.13583	2.2
362.15985	100.0
363.16333	2.0
372.14069	3.4
404.16879	1.9
452.41977	1.3
506.19876	3.8
507.18219	1.2
524.14386	6.5
524.21198	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.2
55.05525	2.0
62.06092	8.4
67.05507	3.0
69.03437	2.1
69.07080	3.2
69.64142	3.4
69.64529	3.3
72.80463	1.6
79.05512	4.6
81.07060	17.9
85.02932	3.2
87.00813	1.8
88.62635	1.5
90.99980	1.8
95.08614	4.5
98.22712	2.0
105.01846	2.8
107.08593	2.9
109.06544	8.3
109.10138	2.3
111.04458	10.7
119.08553	2.6
121.10194	2.5
123.11762	2.3
125.06001	3.8
127.03921	4.4
133.10127	3.6
135.08044	2.6
135.11717	2.7
137.05975	100.0
137.13237	2.2
138.06259	2.5
145.04935	2.5
147.11653	5.3
149.09604	3.3
149.13205	2.3
161.09657	6.7
163.11116	3.7
165.09131	2.4
175.11166	4.7
179.10670	2.1
198.05357	2.5
203.17960	7.6
213.16389	3.0
216.06281	1.8
231.05038	2.2
231.17474	9.3
249.18517	7.6
276.31741	1.8
277.17981	55.7
295.19083	8.4
320.22141	6.1
325.05414	1.7
351.21664	45.3
352.21701	2.2
383.24234	9.5
431.18341	50.4
474.22525	14.4
492.23615	21.6
524.26300	7.5
534.06006	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.8
55.05514	3.7
57.03429	1.6
57.07069	0.9
57.16424	0.4
59.87192	0.5
62.06069	0.5
65.12302	0.4
67.05503	4.2
69.07073	4.0
79.05492	4.0
81.07058	18.4
83.04980	2.3
83.08611	2.3
91.05479	2.1
93.07041	3.6
95.08625	5.6
97.06506	1.1
105.06997	2.3
107.08611	4.5
109.06519	9.6
109.10159	3.4
111.04440	17.7
111.08104	0.8
113.05939	0.6
117.07013	0.6
119.08602	3.5
121.06507	0.6
121.10145	3.3
123.08065	2.0
123.11732	2.3
124.01593	0.5
125.05984	5.1
125.09669	0.7
131.08583	2.0
133.10132	4.1
135.08092	3.0
135.11711	4.6
137.05977	100.0
137.13237	2.6
138.06316	0.9
139.07500	0.9
143.08591	1.3
145.10115	1.7
147.08044	1.6
147.11687	6.8
149.09627	4.2
149.13255	1.6
151.07588	2.6
151.11153	1.0
157.10130	1.8
159.11696	1.1
161.09641	6.6
161.13264	2.1
163.11162	3.4
163.14771	1.4
165.09096	3.2
165.12692	0.7
167.10724	0.6
171.11703	1.8
173.13203	0.7
175.11171	6.1
175.14825	1.3
177.12807	0.7
179.10661	2.5
181.12238	0.7
189.12651	1.1
193.12257	0.9
203.14485	0.7
203.17944	6.6
205.19600	0.7
213.16371	3.4
216.06334	0.8
221.19080	2.1
223.14980	0.6
231.17419	9.4
241.15855	1.6
249.18549	6.4
277.17984	47.8
277.77090	0.5
278.18268	1.1
295.19031	7.7
297.59631	0.5
320.22079	3.1
351.21649	54.2
352.21790	1.3
383.24268	56.4
384.24454	2.0
431.18399	2.4
474.22760	0.8
492.23782	3.6
495.10889	0.5
513.35706	0.5
524.26031	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	524.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.3
55.01870	9.3
55.05511	22.3
57.03443	25.2
67.05510	42.2
67.35550	3.7
69.07062	35.6
70.62153	8.3
71.04996	12.3
79.05487	54.7
81.03429	15.1
81.07053	77.7
83.04991	10.7
83.08625	11.5
91.05486	34.3
93.07044	40.6
95.04961	23.7
95.08611	28.1
97.06528	15.2
97.10153	7.1
98.98460	28.9
99.08057	7.5
105.07032	27.5
107.04958	20.5
107.08601	22.7
109.06522	28.0
109.09043	4.0
109.10167	9.4
111.08054	5.2
113.06005	4.9
117.06998	10.3
118.08684	4.2
119.08576	20.4
121.06491	10.4
121.10152	20.8
121.10925	3.8
123.08076	15.3
125.06010	5.2
125.09632	10.5
127.07572	5.1
129.07011	7.6
131.08609	19.8
133.06509	9.3
133.10129	15.3
135.08067	9.5
135.11722	6.7
137.09618	5.1
139.07539	4.4
139.11230	5.1
142.02652	13.5
143.08589	8.1
145.10176	12.9
147.08043	12.6
147.11707	9.5
149.09651	13.0
149.13260	12.0
157.10150	7.3
159.11650	6.2
161.09625	13.7
163.11147	5.1
164.70059	4.1
171.11687	4.7
173.02217	7.2
173.13344	4.1
175.11151	6.3
177.12703	8.7
184.07420	5.2
185.13327	4.3
187.11223	5.7
193.12303	5.8
213.14935	4.7
229.14095	4.6
239.16415	11.4
245.19127	6.2
255.17606	9.9
267.15982	20.3
269.17557	13.5
273.18478	35.9
279.15924	4.3
291.19531	32.8
309.20731	4.1
316.22659	8.7
326.82468	4.6
329.21280	7.6
334.23804	5.1
347.22186	100.0
349.41388	4.4
365.23227	81.3
383.24191	22.0
392.18274	8.9
427.18997	7.2
432.21204	4.6
445.19650	18.7
463.20984	19.9
470.23141	7.3
488.24039	12.5
506.25253	34.7
524.26776	6.3
531.65790	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	524.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.8
57.03439	7.8
58.06614	3.6
60.08160	8.8
63.39836	2.3
67.05508	30.0
68.05851	3.5
69.07072	8.4
70.07992	5.8
71.07372	3.4
79.05501	11.4
81.07066	27.5
86.09713	32.8
87.10015	16.0
88.10364	4.8
91.05481	6.9
93.07043	12.7
95.08624	20.7
98.98477	8.1
104.10715	4.7
107.08592	9.2
109.10159	5.6
118.49035	2.5
121.10161	6.2
123.11690	3.6
125.00027	12.8
126.00439	3.4
127.00449	10.7
131.49686	2.9
133.10118	3.7
135.11685	4.3
184.07356	50.5
185.07712	35.4
186.07803	58.8
187.08160	18.4
188.08211	3.5
214.25299	2.8
233.95583	2.7
245.07668	2.6
255.16083	2.7
299.65378	2.9
305.77652	3.5
310.55774	3.4
335.25833	100.0
336.25986	4.8
337.27441	4.2
339.28058	16.8
360.34375	3.1
425.90662	3.4
524.34869	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	524.3716
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05498	0.9
56.05031	1.4
57.03442	0.9
57.07078	3.0
58.06605	1.4
60.08170	18.7
67.05520	2.2
69.07055	0.7
69.27302	1.4
69.27711	0.6
70.20700	0.4
71.07378	6.6
71.08648	1.9
72.67159	0.3
81.07048	0.9
83.08593	0.4
85.10185	1.2
85.75341	0.3
86.09711	51.0
93.07036	0.4
95.08605	0.8
97.10168	0.5
98.98470	4.3
104.10748	100.0
105.11051	0.4
107.08595	0.4
109.10173	1.4
121.10143	0.4
125.00009	31.3
134.48007	0.4
136.99915	0.4
143.91533	0.4
163.01582	0.7
167.06892	0.4
171.05182	0.4
179.14316	0.4
184.07350	98.3
185.07695	0.8
201.92291	0.4
229.14525	0.6
258.11087	0.9
284.26117	0.4
341.30518	1.0
386.93536	0.4
506.36099	9.5
524.24280	1.1
524.37091	37.4
525.37408	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3713
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
53.03916	0.3
55.05504	0.4
55.33512	0.2
56.05033	1.1
57.03428	0.4
57.07074	3.2
58.06578	1.5
59.07378	0.4
60.08162	19.1
61.72203	0.2
67.05501	0.4
69.07065	0.3
69.20294	1.3
71.07374	6.5
71.08629	2.0
81.07033	0.6
83.08619	0.4
85.10178	0.8
86.09704	53.1
87.10044	0.5
95.08600	0.8
97.10164	0.3
98.98460	4.4
104.10740	100.0
105.11087	0.7
109.10158	0.4
109.31713	0.2
124.99998	31.9
159.08961	0.2
163.01584	0.8
184.07336	93.0
184.22954	0.2
185.07713	0.6
216.41191	0.3
258.11136	1.0
341.30551	1.3
351.16830	0.3
506.36084	7.3
506.43442	0.6
524.37103	29.8
525.37415	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3716
Annotation	PAF C-16
Peak:m/z	Relative Intensity
52.98026	0.2
53.33733	0.2
55.05490	0.2
56.05030	0.7
57.03448	0.2
57.07061	0.7
57.44190	0.2
58.06604	0.5
60.08166	5.9
67.05481	0.3
68.67308	0.2
69.07072	0.3
69.17066	1.4
71.07369	2.9
71.08618	0.4
72.49685	0.3
81.07018	0.3
81.16644	0.2
86.09706	27.6
87.10026	0.2
89.06012	0.2
95.08614	0.3
98.22681	0.4
98.98472	2.3
104.10749	3.1
108.78128	0.2
125.00002	18.8
133.10228	0.2
143.01021	0.3
184.07338	100.0
185.07678	1.5
210.97702	0.3
294.44354	0.2
506.35938	1.0
524.24731	0.5
524.36975	3.1
525.17645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.05511	18.9
57.07076	4.2
64.82475	2.7
67.05510	26.5
69.07068	33.1
70.06588	2.6
71.05009	2.7
74.44529	2.2
79.05487	24.7
81.07059	42.7
83.08627	15.0
89.73098	2.7
91.04583	2.9
91.05492	23.0
93.07058	25.8
95.04984	4.2
95.08610	63.1
97.10165	5.7
105.07030	100.0
107.04967	8.8
107.08595	31.0
109.10139	27.1
109.80185	2.5
111.11713	10.3
117.07023	4.3
119.08585	53.5
121.10133	15.6
123.11654	6.6
124.07589	8.2
128.06236	3.3
131.08560	25.9
133.06537	7.3
133.10129	25.4
135.11713	8.5
136.07581	42.8
137.13246	3.7
143.08620	3.9
145.10129	41.1
147.11696	31.0
149.13268	9.4
157.10164	4.9
159.11649	19.6
161.13293	18.8
163.14790	3.1
173.13301	29.2
175.14821	33.3
185.13132	3.6
187.14819	17.6
189.06708	2.5
201.16429	14.7
203.14317	11.9
204.13870	7.6
222.14883	60.3
257.22610	20.1
260.53455	2.5
269.38672	3.0
273.80392	3.1
285.22125	96.8
286.22467	2.8
330.34631	2.8
506.36325	84.8
507.36838	5.2
534.38831	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	524.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34910	1.3
53.03945	1.2
54.93264	1.2
55.05519	12.8
57.03437	13.4
57.07074	1.9
59.04998	4.0
65.03936	2.2
67.05506	100.0
69.07066	8.6
69.57067	3.7
69.57451	2.8
71.04995	2.7
79.05500	22.9
81.07059	38.4
83.08616	8.6
85.06544	2.9
91.05482	15.6
93.07044	24.8
95.04981	1.8
95.08610	24.9
97.06571	2.1
97.10222	1.3
102.70033	1.5
104.10764	1.5
105.04537	1.5
105.07021	8.4
107.07867	2.0
107.08577	12.5
109.10159	68.4
111.08080	2.6
117.07021	1.6
119.08597	8.9
121.10128	8.4
123.11639	1.7
131.08545	3.6
133.10150	4.5
135.11694	5.7
137.09634	3.5
145.10123	2.2
147.11697	2.2
149.13232	2.8
152.16103	1.3
155.10660	4.2
159.11726	2.3
163.14920	2.0
173.11739	13.1
173.13145	2.6
229.14345	56.4
243.21068	2.9
261.22192	9.6
317.24664	2.2
335.25824	48.3
360.91266	1.7
405.09604	1.4
489.35684	29.9
490.35962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49323	0.3
53.10741	0.3
69.77828	0.6
69.78150	0.4
82.06563	0.4
95.07221	0.3
100.12495	0.3
101.52399	0.3
107.04984	0.5
132.04420	0.5
134.05997	1.2
146.06003	3.7
160.07597	1.7
163.03859	0.3
174.09096	0.7
186.09174	0.4
188.10680	1.8
189.06598	1.0
213.10155	1.1
214.11005	65.7
215.11443	1.5
231.11279	100.0
232.11581	1.7
309.08755	0.3
339.10654	0.3
393.16547	51.2
394.16873	1.3
435.17783	0.9
525.20819	40.4
526.21118	0.8
553.80963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56953	0.2
55.05492	0.5
67.04259	0.3
69.38451	0.6
69.38863	1.2
95.07327	0.3
107.04953	0.8
132.04474	0.4
133.05197	0.4
134.06010	1.6
146.06006	4.6
160.07603	1.6
168.24509	0.3
174.09116	0.6
186.07744	0.4
186.09164	0.9
188.10742	2.2
189.06609	1.3
213.10190	1.5
214.11002	80.2
215.11400	1.8
231.11275	100.0
232.11571	1.5
378.90161	0.3
383.53204	0.3
393.16544	58.1
394.16962	1.7
435.17563	1.2
525.20801	49.1
526.21161	1.6
536.31195	0.3
547.36230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	28.7
67.36539	2.7
69.20877	15.6
84.96044	8.7
95.08617	3.2
95.63289	2.6
96.30502	2.9
98.97579	96.9
105.07008	3.5
110.97564	10.3
112.99153	14.0
116.98623	39.5
119.87252	3.1
128.98622	8.8
131.00157	15.0
134.99644	9.7
140.98579	4.0
143.00162	3.6
149.01244	4.9
158.99655	36.0
170.99695	7.1
173.01259	23.1
174.99203	4.2
177.00717	32.3
189.00703	5.8
191.02299	11.6
194.27982	2.6
201.00703	9.3
202.98596	5.1
219.01756	23.6
233.12173	3.1
237.02823	16.8
244.99635	10.6
267.12726	14.2
277.14780	8.8
279.03964	5.0
295.03473	3.6
295.15720	5.4
301.14911	5.1
303.01086	12.1
305.02597	6.9
319.15784	11.7
321.17343	5.4
355.14471	4.0
421.18961	23.1
439.19977	50.4
463.20090	10.9
463.28503	12.8
481.21143	60.4
507.19913	54.8
524.28491	4.1
525.20874	100.0
525.28619	80.2
526.21002	4.4
526.28217	3.4
527.07281	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2101
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96559	3.3
73.38574	2.5
83.08617	2.6
98.97578	12.0
99.75596	2.5
100.11252	3.9
112.99133	3.0
116.98632	6.4
120.86419	3.0
147.04402	5.9
158.99698	4.7
160.48189	2.5
177.00809	3.2
177.56099	2.8
204.10208	4.5
218.21121	3.3
233.86728	2.6
275.17471	3.2
277.14664	6.2
305.02679	22.6
319.15689	5.8
439.20062	9.8
481.21280	13.2
525.20978	100.0
525.30042	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	525.2113
Annotation	Antrodioxolanone
Peak:m/z	Relative Intensity
56.96556	8.9
69.12395	8.7
73.02951	1.4
83.08649	1.6
84.96024	2.0
98.23451	2.7
98.97589	10.1
109.60685	1.3
110.97588	3.0
116.98646	4.9
119.08591	1.8
134.99692	2.1
140.56421	1.4
141.02251	1.9
150.98030	1.7
159.03271	2.2
162.84930	1.6
209.08418	2.3
219.01804	2.9
225.11674	4.8
237.02811	3.3
267.12656	17.0
277.14801	5.0
279.12708	3.3
281.34827	1.5
295.15765	4.4
302.47464	1.7
319.15799	4.5
328.33795	1.4
337.16907	2.3
357.63501	1.8
411.16644	1.6
421.18967	6.3
439.14365	2.8
439.19983	29.1
481.21326	27.5
507.19635	2.7
525.20880	100.0
525.29999	37.6
526.21368	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	525.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.2
59.89098	0.1
67.05505	0.2
70.82301	0.2
71.04983	0.3
81.32355	0.1
91.05447	0.2
92.37451	0.1
95.08629	0.1
100.11260	0.4
109.10126	0.2
120.69716	0.1
121.10143	0.2
123.08061	1.1
131.08542	0.2
133.10223	0.2
154.12271	0.3
173.13332	0.2
198.68332	0.1
203.05339	0.3
210.14903	0.2
254.13994	0.1
275.07401	0.8
335.09491	10.1
393.18689	0.8
412.20825	0.2
507.35547	0.2
525.23065	100.0
526.23376	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	525.2309
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
52.85573	0.2
59.85398	0.3
69.32694	1.4
85.32504	0.3
85.68893	0.3
86.27147	0.3
125.49574	0.3
125.81963	0.3
132.09851	0.3
133.88097	0.3
165.29820	0.3
192.98048	0.3
201.43890	0.2
224.57013	0.3
246.43324	0.3
275.07425	0.7
307.83362	0.3
335.09464	9.4
525.23071	100.0
526.23395	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	525.2312
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
69.03450	0.6
69.07043	0.5
71.47612	0.8
73.02953	0.5
74.02380	0.5
79.05454	0.6
81.07050	1.6
85.06569	0.6
91.05492	0.8
93.07060	1.4
95.08640	0.7
96.08106	0.6
100.11262	1.5
100.34617	0.7
105.07027	0.6
107.08577	1.2
108.08140	1.0
110.09670	0.7
120.08058	0.6
121.10151	1.0
123.08068	1.7
123.11668	0.8
131.08531	0.7
138.09102	1.1
145.10045	0.8
163.31468	0.5
166.08624	1.8
169.30519	0.7
203.05266	0.9
210.14839	0.7
234.77460	0.6
243.04764	0.6
245.06334	1.3
259.16684	0.9
271.04315	1.0
275.07440	0.6
277.10535	1.6
277.17868	0.7
287.03723	2.8
289.05264	6.8
335.09482	9.4
372.10931	1.0
379.24628	0.8
393.18661	0.9
437.17749	0.9
438.26413	0.7
439.22922	1.4
463.23096	2.0
481.16846	1.6
481.24054	6.3
489.20801	1.9
507.21902	10.4
507.27881	2.4
525.16064	6.8
525.23010	100.0
525.29926	6.2
526.23462	3.7
526.29761	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	525.2885
Annotation	Fellutanine D
Peak:m/z	Relative Intensity
55.41793	0.4
56.29551	0.4
66.32860	0.4
67.64153	0.4
78.05859	0.4
124.55514	0.4
139.45959	0.4
368.39670	0.5
525.28815	100.0
526.29053	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93443	1.9
55.01868	2.7
55.05511	17.4
57.07071	9.0
59.04998	5.7
60.69746	2.0
61.68211	1.9
67.05511	20.4
69.03435	3.4
69.06704	3.9
69.07069	54.2
71.04990	4.9
71.08630	5.3
73.06556	2.2
79.05489	12.0
81.07059	100.0
83.08620	18.8
85.02917	6.1
85.06548	11.3
91.05471	6.2
93.07043	26.6
95.08607	76.3
97.06526	5.3
97.10161	6.0
98.22675	6.5
99.08096	6.8
100.11263	3.9
105.07034	8.6
107.08595	30.2
109.10157	32.0
111.08080	9.7
111.11713	16.2
121.10157	15.2
123.11697	34.9
125.09631	2.8
125.13284	4.6
127.11213	5.8
133.10132	4.0
135.11659	15.6
137.13245	35.6
149.13261	30.6
151.14809	2.7
153.12752	23.5
155.14297	10.4
161.13278	2.6
163.14804	7.9
167.14363	4.4
171.13812	8.5
173.15382	7.9
177.16406	3.2
182.15358	2.4
185.15344	3.6
203.05334	2.3
209.08145	3.7
210.14790	3.2
217.19452	2.4
223.04222	4.7
233.66655	2.0
239.23694	2.7
273.25842	4.4
279.26816	11.7
289.05402	2.4
291.26804	23.3
297.27960	8.3
309.27866	51.7
315.28967	4.2
327.28854	10.4
335.09454	3.4
345.29987	14.9
445.43933	2.3
481.23782	4.2
505.58084	3.1
507.21506	2.9
525.22809	45.2
525.29364	32.9
526.23499	3.4
526.30054	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	526.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03941	1.0
55.01872	0.4
55.05528	0.5
56.87822	0.4
61.02915	1.0
61.94833	0.3
67.05504	0.6
69.03423	1.7
70.06588	0.6
70.45005	0.8
71.04991	0.7
72.08156	1.0
73.02927	0.4
77.03943	0.8
79.05486	3.6
81.03416	1.5
81.07058	1.3
85.02904	7.7
91.05484	8.4
93.07044	100.0
94.07391	0.6
95.04965	4.4
97.02888	2.3
99.04424	0.4
105.04514	2.3
105.07018	2.5
107.08607	1.3
109.02891	0.7
111.04600	0.4
111.05307	0.3
111.08095	0.7
111.73640	0.4
119.08575	0.9
121.06497	0.6
121.10145	43.4
122.10482	0.4
123.08067	0.9
126.50931	0.4
127.03929	2.6
131.08568	0.9
133.06487	0.7
133.07495	0.4
137.05954	0.4
139.11186	1.1
145.04973	4.2
147.04404	0.4
149.09621	39.2
151.03879	0.5
157.06503	0.8
163.05995	2.2
167.10680	55.0
168.11011	0.8
175.07552	1.0
180.08730	0.6
185.11720	1.5
187.07571	0.4
205.08614	4.2
270.10013	0.6
287.13901	0.8
298.09427	0.7
311.14883	0.6
313.11823	1.1
325.11221	1.1
384.75092	0.5
404.23767	0.4
437.17026	0.9
526.19324	1.2
526.25592	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01872	2.6
55.05517	5.5
57.03441	10.1
59.04977	0.8
61.02927	2.1
66.72107	0.6
67.01864	1.3
67.05512	4.3
69.03430	3.2
69.07055	0.8
69.50377	2.9
69.50793	1.3
71.01374	0.8
71.04997	71.9
71.08632	1.4
71.83609	0.8
71.97910	0.7
73.02914	2.6
75.04479	3.4
78.57910	0.7
79.05518	3.6
81.03413	2.6
81.07061	2.8
83.04987	11.8
83.08642	0.9
85.02910	100.0
85.06534	2.1
87.04475	2.8
91.01862	1.6
91.05499	7.0
93.07048	2.9
95.04963	3.9
95.08644	1.8
97.02918	3.9
97.06550	1.5
97.10173	0.9
99.04450	1.7
100.36040	0.8
101.06091	0.7
103.05499	1.1
105.07043	3.8
107.04942	1.9
107.08611	1.1
109.02883	2.8
109.06535	1.1
109.10191	0.9
111.04449	7.6
113.05975	0.8
115.05479	3.2
117.07031	3.2
119.04940	9.1
119.08604	2.0
123.08039	1.0
127.03897	4.7
128.06241	3.6
129.05486	40.9
129.06923	4.7
131.08583	4.2
141.07016	2.9
142.07791	1.6
143.08569	2.1
145.04971	3.3
145.06476	2.5
145.10138	2.3
146.08133	2.8
147.06535	20.3
153.06996	3.8
154.07788	1.1
155.08563	4.8
157.06488	1.3
157.10124	1.3
159.08026	1.9
164.09201	8.7
165.07051	2.0
167.08633	1.5
168.09389	1.0
169.10165	1.2
171.08044	1.3
173.09570	1.1
181.10114	0.8
182.07190	0.8
183.08092	1.8
184.08813	1.0
185.09724	0.8
187.07574	0.9
199.11256	1.2
201.12772	2.3
237.07690	1.2
243.13930	1.7
255.08609	1.8
255.13737	1.2
273.09573	1.2
277.21829	0.9
309.11902	1.8
351.25439	3.4
385.25681	4.4
526.22253	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13512	0.4
60.14248	0.5
67.05502	0.6
69.03424	0.6
69.07072	0.4
69.29128	1.0
69.29517	0.9
79.05486	4.2
81.07053	1.5
83.40083	0.4
85.02904	1.8
87.14967	0.4
90.78040	0.4
91.05477	3.3
91.53363	0.4
93.07047	10.1
95.04977	1.2
95.08604	1.9
105.07028	3.1
107.08601	2.7
109.06513	0.6
109.10161	0.8
117.07015	0.6
118.28481	0.4
119.04900	1.0
119.08588	6.6
121.06541	0.6
121.10139	2.5
123.04444	2.3
123.07934	0.4
125.05965	0.7
127.08316	0.4
129.06981	0.5
131.08566	1.4
133.10083	0.9
135.08037	1.5
135.11668	0.6
137.05948	3.6
137.09612	1.4
142.07750	0.4
143.08546	1.4
145.10123	1.8
145.38962	0.4
147.08084	2.7
147.11679	0.9
149.05991	4.8
155.08571	0.8
157.10135	2.2
159.08029	0.5
159.11739	3.1
161.05957	0.9
161.09641	0.6
163.07553	5.6
164.08339	17.9
165.09113	4.1
167.08611	0.7
169.10115	1.5
171.11682	1.4
173.09557	0.5
175.07578	1.4
175.11188	0.6
177.09146	0.9
181.10172	1.4
183.11674	1.1
185.09534	0.5
185.13316	1.5
187.07564	0.5
189.09084	0.6
193.10138	0.5
194.10860	0.4
195.11703	1.4
197.13251	1.6
199.14862	1.2
209.13269	3.3
211.14880	1.1
227.10670	0.7
227.14314	2.3
227.17897	4.0
237.12886	0.9
237.16379	3.4
239.18008	1.9
241.12175	0.7
255.13824	5.7
255.17432	5.9
265.15887	1.6
267.17337	0.8
273.14963	0.4
283.16916	14.7
301.17923	1.6
311.16479	2.7
329.17468	100.0
330.17844	2.1
347.18527	6.4
370.20111	1.2
503.08862	0.5
526.28955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	14.2
55.05518	24.7
57.03436	38.3
67.05508	40.9
69.07068	16.8
69.22449	4.1
71.04974	7.2
71.08633	58.7
73.02903	11.9
79.05488	29.6
81.03415	7.8
81.07059	27.6
83.04986	12.7
83.08629	8.8
84.43586	3.9
86.09691	4.5
87.15025	4.9
91.05483	19.8
93.07058	22.4
95.04982	6.7
95.08624	23.1
97.06548	9.0
97.10182	6.6
98.98466	8.1
99.08102	40.8
99.50619	4.3
105.07069	9.1
107.04984	5.5
107.08596	7.1
109.06482	4.5
109.10147	28.7
111.08113	5.2
116.04734	13.5
119.08605	8.6
121.10149	11.6
125.09692	4.8
129.05498	52.6
133.10149	7.6
135.08057	5.0
135.11691	7.6
139.11157	13.1
142.12193	7.8
143.07097	8.6
145.10135	5.0
147.11699	4.7
151.11198	17.1
152.91422	4.0
155.10628	4.5
157.08633	24.6
161.13251	7.4
163.11256	7.2
165.12833	6.7
171.10188	9.3
173.11752	9.1
175.27390	4.1
179.14313	6.1
180.13837	18.5
184.07219	6.5
198.14880	6.7
212.59392	4.4
229.14340	27.7
241.19557	5.9
243.15842	5.2
259.15399	7.7
273.17004	10.3
277.21564	13.3
293.21179	5.9
334.14008	4.3
351.25256	74.3
352.14932	6.7
367.24649	7.3
385.21075	4.4
385.25806	100.0
466.15152	4.9
474.26050	10.7
527.28241	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	526.299
Annotation	Lys Leu His Glu
Peak:m/z	Relative Intensity
55.62439	0.2
56.33960	0.3
60.42868	0.3
67.05518	0.2
70.06581	0.4
71.45954	0.4
83.97221	0.3
85.45077	0.2
91.05510	0.3
95.08608	0.4
109.06459	0.3
114.99459	0.3
123.08101	0.5
137.79132	0.3
152.03200	1.9
170.04260	1.4
197.69875	0.3
245.13045	0.3
255.07716	0.5
273.71283	0.3
335.09525	1.5
336.09891	1.0
338.15918	0.4
349.23404	0.3
360.25107	0.7
361.23401	1.7
378.26068	2.8
379.24536	8.1
380.24603	0.3
396.27274	0.3
397.25583	7.2
424.22964	0.3
478.27649	0.7
480.29425	0.5
482.24484	0.6
490.27792	0.5
496.28470	0.5
508.22266	0.8
508.28873	3.3
516.08112	0.3
526.23395	8.7
526.29944	100.0
527.23523	0.6
527.30322	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	526.2993
Annotation	Lys Leu His Glu
Peak:m/z	Relative Intensity
55.05521	0.4
55.57494	0.3
71.05003	0.4
79.05474	0.4
81.07057	0.9
84.08142	0.5
91.22836	0.4
93.07046	0.5
98.22672	0.6
107.08600	0.5
137.09592	0.4
147.04440	0.6
152.03210	1.5
165.09131	3.6
170.04291	1.7
184.17072	0.5
209.08266	0.5
216.31227	0.4
223.04272	0.4
319.04022	0.4
331.22287	0.8
335.25403	0.7
337.23624	1.4
346.24237	0.4
349.23471	1.0
367.24255	0.5
378.26227	1.8
379.24585	3.4
397.25558	3.3
466.27448	0.6
478.27710	2.5
482.24725	0.7
490.27411	0.7
508.21985	0.6
508.28601	2.4
526.23792	4.8
526.29987	100.0
527.23981	0.9
527.30817	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	526.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37038	1.2
53.03949	1.3
55.01873	3.2
55.05500	7.8
57.07096	1.2
64.37830	1.3
65.03933	2.2
67.05515	9.8
69.03423	3.1
69.07058	3.2
70.62899	1.2
71.04991	5.5
77.03915	1.6
79.05497	11.5
81.07057	15.1
83.04983	15.9
85.06541	5.2
91.05479	42.8
93.07043	17.4
95.04964	22.4
95.08607	6.3
97.06536	5.9
101.06007	4.0
101.74395	1.4
101.91489	1.2
103.05505	2.8
105.04563	1.7
105.07030	62.5
107.04964	4.8
107.08578	10.9
109.06517	6.9
109.10143	1.9
113.06055	1.9
115.05459	12.3
116.06238	3.7
117.07017	65.3
119.04971	3.9
119.08589	25.3
121.06512	6.1
121.10139	5.2
123.08071	2.6
125.06004	1.7
128.06212	21.8
129.07005	37.4
130.07811	12.6
131.04933	1.4
131.08571	54.2
133.06509	11.4
133.10130	21.0
135.08080	3.8
135.11700	1.7
139.07532	1.4
141.06044	1.2
141.06894	6.3
142.07791	16.5
143.08565	49.0
144.09337	4.0
145.06471	7.9
145.10124	85.9
147.08020	10.1
147.11649	6.2
149.02322	3.8
149.09627	7.2
153.07001	4.4
154.07716	1.7
155.06018	1.4
155.08551	20.5
156.09346	8.2
157.10133	34.0
158.07272	3.6
159.08069	3.5
159.11702	13.6
161.09619	23.4
161.13229	4.3
163.11211	4.1
165.07004	6.0
167.08553	1.5
168.09419	1.5
169.10098	5.9
170.10938	4.6
171.08078	4.9
171.11726	16.5
173.09622	100.0
173.13078	3.1
175.11194	12.6
175.14822	3.1
177.09225	1.6
180.09354	4.5
183.10236	1.7
183.11786	2.1
185.09647	3.0
185.13255	28.5
187.11157	6.6
189.09131	1.6
189.12759	5.2
191.10663	15.7
193.04994	5.4
195.11711	12.9
198.10603	1.4
201.12755	2.9
203.14331	21.1
211.90672	1.4
213.12724	35.6
213.14655	2.5
231.13805	63.4
232.14157	1.5
233.11745	7.0
237.07576	10.1
249.14868	7.8
291.15839	2.2
309.16916	1.9
482.31262	1.4
526.33899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01888	0.9
55.05515	17.2
55.05776	1.2
57.03439	12.2
57.07069	4.0
57.38897	0.9
59.05009	3.0
59.72251	0.8
61.35088	0.9
65.03944	2.8
67.05506	100.0
69.07068	14.2
69.57095	4.3
71.05004	2.2
71.08628	1.1
79.05495	9.0
81.07059	41.8
83.08620	12.0
85.06563	2.5
85.85593	0.9
89.06025	1.3
91.05482	11.5
93.07046	10.9
95.04988	1.2
95.08607	28.7
97.06532	1.9
97.10182	3.3
105.07053	3.7
107.08608	5.6
109.10161	66.9
111.08093	2.4
111.11710	1.0
119.08599	5.9
121.10150	4.4
123.11713	3.0
133.08575	1.2
133.10136	2.2
135.11687	2.7
137.09647	2.2
137.13223	1.5
147.11711	1.7
155.10675	6.9
161.13380	1.1
161.46567	0.9
163.14922	1.0
173.11728	11.5
178.75963	1.0
179.90779	0.9
229.14346	50.3
263.23679	2.3
337.27365	44.7
435.59387	1.0
491.37292	35.7
492.37631	1.5
541.09521	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72623	0.8
55.05506	3.3
57.07076	60.6
59.36910	0.9
68.22016	0.8
69.07073	7.9
69.41690	2.5
69.42097	1.9
71.08630	55.8
73.06551	5.4
74.30518	0.8
83.08620	3.8
83.20177	0.8
85.10180	34.0
85.10698	1.7
87.04468	5.5
89.06030	100.0
90.06387	1.0
97.10166	2.5
98.22705	1.7
99.11729	6.7
101.45612	0.8
107.07069	2.2
111.11723	4.5
111.89549	0.9
113.13273	5.3
117.09132	5.1
125.13239	2.7
127.14825	3.3
130.08638	3.3
131.07021	2.2
133.08601	69.1
136.21707	1.1
161.11729	1.3
175.09575	1.0
177.11211	26.8
177.12759	1.3
183.20995	1.0
184.07211	1.0
195.12270	1.6
221.13757	6.5
221.89151	0.9
227.23804	1.2
239.14891	4.2
254.61992	0.9
256.26294	1.2
257.38144	1.0
265.16470	1.0
271.26297	6.8
283.17517	4.0
302.57626	0.8
309.18948	1.2
315.28964	6.8
327.20114	29.5
387.54224	0.8
421.35135	2.2
465.37891	1.4
509.40536	31.4
514.41870	1.0
526.42773	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	527.153
Annotation	CHEBI:67643
Peak:m/z	Relative Intensity
59.75843	0.5
59.88681	0.6
69.28771	3.0
70.06602	1.0
76.80789	0.5
77.54324	0.5
87.93202	0.5
92.91457	0.5
98.22681	1.2
98.97616	1.4
107.08640	0.5
116.98627	0.6
119.08617	0.5
143.78085	0.5
153.43250	0.5
167.07037	0.8
203.21513	0.6
247.06625	0.8
265.07507	0.9
269.58606	0.6
280.24728	0.5
313.21844	0.7
335.09415	3.5
337.09967	1.0
367.10577	1.4
409.11856	1.1
474.11017	0.6
483.16284	13.4
527.15411	100.0
527.23987	15.9
528.15924	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	527.1587
Annotation	(-)-Indocarbazostatin B
Peak:m/z	Relative Intensity
59.57915	0.5
70.70055	0.5
71.44714	0.5
75.50905	0.5
103.13551	0.5
103.78370	0.5
107.50604	0.5
155.01842	1.4
173.02992	1.5
185.04228	1.7
193.82463	0.6
203.05264	8.3
245.05058	0.9
305.08136	1.8
347.09399	2.0
365.10553	93.0
366.10776	1.6
387.25391	0.5
391.18896	0.8
527.15839	100.0
528.16156	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	527.2255
Annotation	7beta,8beta-Epoxyroridin H
Peak:m/z	Relative Intensity
92.09343	0.7
109.82469	0.6
132.42281	0.6
151.07555	5.7
166.06299	0.8
181.08600	3.3
189.05267	0.8
224.44644	0.6
261.61044	0.6
299.43292	0.6
407.24127	2.0
465.09933	0.7
467.20596	2.9
527.22510	100.0
528.22937	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	527.247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94077	0.3
70.06599	1.0
70.38513	0.5
86.09708	0.3
123.02315	0.3
133.10170	0.4
136.14986	0.3
255.97755	0.3
275.07471	0.5
335.09534	3.0
395.20187	0.8
469.21506	0.3
472.01511	0.3
496.13312	0.5
527.24646	100.0
528.17340	0.5
528.24902	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26071	1.2
57.87607	1.3
58.91873	1.3
61.20979	1.1
63.03069	1.4
69.25905	7.8
69.68230	1.2
73.05622	1.1
77.57195	1.3
80.79904	1.3
81.07087	1.7
93.07087	1.6
94.27222	1.3
97.06610	1.7
123.11775	1.5
145.10141	1.4
163.03932	1.4
190.00795	1.6
198.10548	1.2
209.08195	2.5
223.04163	2.7
224.04602	1.7
227.80832	1.3
243.04784	1.6
245.06345	2.6
261.17984	1.7
263.19681	1.9
268.07321	2.7
277.64499	1.3
279.16199	1.6
279.19293	6.1
287.03732	23.8
289.05280	31.3
362.14276	2.0
365.23209	1.6
380.24496	1.5
398.25674	1.5
441.24139	1.6
483.25848	9.8
509.23080	4.1
526.30151	2.0
527.24353	100.0
527.30603	19.5
528.24548	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	527.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01212	1.1
67.05505	1.2
70.62872	1.5
74.09492	1.0
75.40906	1.2
75.81207	1.1
77.22262	1.3
91.05479	2.6
98.97596	1.8
195.00339	3.5
262.06476	1.1
275.04388	1.1
293.05453	1.3
305.36075	1.1
309.17459	1.9
344.14749	1.2
368.89304	1.2
477.18417	2.5
527.26154	100.0
528.26459	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	527.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65335	0.7
55.05500	1.8
56.05032	1.5
57.17482	0.7
64.74428	0.6
65.85420	0.6
67.05511	1.6
69.07059	2.2
70.11042	1.2
71.08624	5.3
72.08144	1.6
74.02499	0.6
79.05495	1.8
81.07047	2.9
81.09898	0.7
84.04507	14.5
84.08134	2.1
86.06068	7.6
93.07042	1.9
95.08605	1.5
96.08147	3.2
96.08675	0.7
98.09688	4.2
99.08076	2.4
101.39955	0.7
102.05547	6.6
103.01431	0.7
105.07063	0.8
107.08584	0.7
108.08114	1.6
116.10738	24.4
121.10149	1.1
122.09662	2.3
130.05003	5.0
138.12782	1.3
139.11192	0.8
140.10674	1.1
143.10614	2.3
154.15919	2.6
166.15887	2.4
178.15938	1.8
181.66525	0.7
184.13380	0.7
196.16963	8.7
203.12781	1.4
211.13368	1.3
214.18022	100.0
215.18398	2.3
219.00258	0.7
229.14377	1.1
268.15302	0.8
281.22220	1.1
282.20648	1.8
411.24911	5.1
429.26019	10.3
509.32474	1.7
527.16309	0.7
527.33636	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	528.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05499	3.3
55.08738	0.6
56.96552	1.0
70.06596	3.6
71.04979	0.9
72.08153	11.2
73.06516	0.8
86.09729	3.1
89.10786	1.5
90.09167	2.2
91.05474	2.6
98.06055	10.2
98.97571	2.9
110.97575	0.7
115.05451	2.4
115.08688	8.5
119.04927	2.1
122.03692	0.6
123.04387	0.8
133.02803	1.1
133.06490	0.8
134.03613	1.2
136.06174	1.1
137.05966	8.4
141.07204	0.7
143.00192	0.9
143.04919	2.4
145.02831	0.8
145.06465	1.6
147.04430	1.5
147.71140	0.7
149.05949	2.1
150.06721	2.0
158.03621	1.5
160.05096	0.9
173.06030	3.7
175.03900	3.3
175.07559	1.0
177.05486	0.9
177.06946	1.6
179.03752	0.9
184.07335	0.8
186.03082	5.4
189.05405	1.0
191.08591	0.8
194.07278	2.2
197.04782	1.0
201.05443	16.8
203.07010	1.2
204.05701	1.0
205.06480	10.7
206.11749	2.3
207.06393	1.5
207.08154	0.9
215.19469	0.7
219.01746	2.1
219.08064	1.9
221.06032	1.9
222.06740	5.9
227.07108	1.4
233.05978	15.1
234.06657	3.8
235.07471	1.7
236.08261	1.0
237.02882	3.4
237.09134	8.6
239.07082	1.5
247.07629	4.0
248.08348	0.8
249.05516	3.2
250.06277	10.0
251.06923	2.2
261.05423	2.4
263.07025	2.3
264.07858	5.2
265.05521	1.3
265.08603	21.8
266.09207	1.6
267.06430	2.3
275.07138	1.4
277.04971	1.6
278.05753	6.6
279.07178	0.6
279.10028	3.2
280.07333	1.4
281.07971	0.7
282.08902	3.3
291.06540	0.9
292.07300	16.1
293.04565	3.0
293.08035	27.2
294.08438	1.5
295.06226	1.1
295.09705	0.9
297.11255	5.3
307.09631	37.2
308.06799	12.9
308.09955	1.1
309.07486	0.9
310.08380	3.1
319.06055	1.1
323.08475	7.5
325.10684	100.0
326.10910	3.1
336.06262	1.7
341.09000	3.8
351.08554	17.9
352.08783	0.8
355.08258	0.7
366.99005	4.9
403.00974	1.3
413.20718	3.9
414.19174	6.5
422.15820	1.7
427.01334	0.9
439.18622	31.2
440.17599	3.3
469.13733	6.1
528.27173	16.8
529.26917	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
55.57904	0.3
57.03431	0.5
61.02913	0.7
67.05492	0.5
69.03402	1.0
69.06759	0.3
69.07063	3.7
71.04996	0.5
77.77885	0.3
79.05470	0.6
81.03397	0.7
81.07049	2.4
85.02908	4.9
85.06547	0.4
87.04453	0.5
87.61004	0.3
91.05485	0.8
93.07014	1.5
95.04962	0.5
95.08588	1.4
97.02877	1.2
105.06348	0.6
105.07027	8.1
107.08570	1.9
109.02895	0.4
109.10137	0.7
113.05991	0.5
115.05449	0.4
119.08575	3.1
121.10133	0.7
127.03910	0.7
129.06978	0.7
131.08626	2.0
133.10104	0.7
141.06972	0.4
142.07759	0.5
143.08572	5.0
145.04929	0.9
145.10132	6.8
147.08061	0.6
147.11664	1.1
151.57085	0.3
155.08530	3.8
156.09309	0.4
157.10121	19.4
158.10715	1.0
159.07953	0.4
159.11754	1.7
161.09618	0.4
163.11174	0.4
169.10130	11.7
171.11667	2.0
173.13268	0.4
180.08693	0.7
181.10164	0.6
183.11682	5.4
185.13237	1.4
187.07605	0.5
187.14880	0.6
189.09096	0.7
191.10687	0.6
196.12448	3.2
197.13242	4.5
199.14833	0.6
201.09058	1.8
203.10800	0.3
211.14809	56.5
212.15123	1.6
213.16365	1.4
217.12225	0.6
221.13202	1.3
225.12668	0.4
229.12213	0.4
229.15849	1.9
239.14299	7.4
239.17909	6.0
240.18446	0.4
241.19511	2.6
243.13739	0.8
257.15359	17.0
257.18942	3.1
258.15698	0.5
267.17444	2.6
275.16397	0.9
285.18481	68.5
286.18835	2.1
292.49701	0.4
302.18472	0.5
303.19522	17.3
304.19904	0.7
313.17969	3.4
330.17752	0.5
331.19022	100.0
332.19370	2.8
347.18518	0.4
348.18704	1.6
349.20139	1.7
366.22769	0.4
447.00934	0.4
478.49118	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.3
67.05519	2.2
69.07068	9.2
69.94478	2.8
71.05013	1.0
78.64020	0.9
79.05515	1.3
81.07069	3.7
83.05020	0.9
83.08627	1.8
85.02920	4.1
91.05516	1.4
93.07059	2.2
95.04977	1.1
95.08614	8.7
97.02916	1.2
97.06528	2.1
97.10189	1.2
105.07049	3.7
107.08620	2.4
109.10172	1.9
109.14515	1.0
111.11784	1.1
111.30561	0.9
119.08599	3.9
121.06497	7.8
121.10175	1.4
131.08575	2.4
133.06459	1.1
133.10127	3.0
135.08063	2.0
137.30814	0.8
137.31961	1.1
141.05508	1.1
143.08598	1.1
145.10165	2.6
147.08057	5.6
147.11725	3.0
157.10147	4.2
159.08096	1.7
159.11714	1.7
161.09590	5.4
161.13293	2.8
165.05492	9.1
169.10185	2.6
171.11725	5.5
173.09662	2.6
173.13263	1.8
175.07564	0.9
175.11197	2.0
183.11714	1.4
185.09584	1.1
185.13300	3.4
187.11227	2.5
189.09079	1.5
189.12776	8.3
191.06995	1.2
199.11235	1.6
201.12820	1.3
207.13744	1.0
211.11224	1.4
215.10631	1.4
217.12273	8.4
225.16414	2.0
227.17929	11.7
233.11806	1.6
235.13316	11.9
241.15833	1.0
243.17502	1.6
257.19122	1.9
285.18588	4.1
313.18015	4.7
331.19052	6.7
349.20111	100.0
350.20456	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	528.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.0
57.03439	11.2
57.79703	2.3
59.05012	3.2
67.05505	76.6
67.05869	4.3
69.07061	14.5
69.63179	6.8
69.63528	3.4
71.04984	4.2
71.08632	16.0
79.05494	19.2
81.07057	43.3
83.04987	3.5
83.08616	15.9
91.05482	13.9
93.07047	24.2
95.04961	6.0
95.08613	18.5
97.06528	5.6
97.10168	11.4
99.08105	11.3
105.07048	7.1
107.08598	16.4
109.06503	2.7
109.10167	52.3
111.08059	6.1
113.58687	2.3
117.06947	2.4
119.08595	10.4
119.90633	2.8
121.10172	11.0
125.09636	8.3
131.08580	4.1
133.10170	6.0
135.11717	5.1
137.09651	6.0
139.11203	2.9
143.08539	2.9
147.11646	4.4
149.13240	6.4
151.11229	7.2
155.10695	6.8
159.11693	5.6
161.13243	3.2
164.51868	2.2
165.12784	2.7
173.11751	26.3
189.11314	5.7
195.13766	3.8
216.06505	3.3
227.12785	4.2
229.14363	100.0
269.17465	32.1
277.21674	20.8
323.25876	2.4
333.24323	10.9
351.25311	80.3
352.15173	21.0
369.26349	52.1
370.16229	8.3
370.26608	2.7
387.27664	12.5
392.18417	12.7
474.26236	4.9
513.87506	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	528.317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	12.2
66.91426	1.6
69.14705	11.1
73.02921	4.7
77.21152	1.5
79.05520	2.3
79.67270	1.9
81.07057	7.5
83.08611	2.1
85.02904	13.8
85.06554	5.5
91.03955	12.5
91.05482	3.9
93.07069	5.2
95.08630	8.4
97.02901	5.3
97.06544	8.3
99.08086	1.6
105.07039	6.1
107.08593	6.6
109.06542	5.3
109.10184	3.8
111.08096	7.3
117.06979	2.4
119.08572	4.7
123.08076	2.5
127.03923	5.5
131.08572	5.4
133.10143	5.3
134.91168	2.1
143.08574	7.9
145.04971	6.4
145.10153	8.6
147.11710	4.7
155.08585	5.1
157.10075	10.2
159.11702	6.6
161.09689	4.2
163.06017	12.4
163.11232	2.2
169.10190	6.2
169.95427	1.9
171.11708	5.1
173.09700	4.4
173.13225	2.7
175.11256	2.8
181.10167	3.0
181.43942	1.8
183.11676	6.2
185.13300	5.1
187.11208	3.8
193.10117	2.4
195.11703	4.3
196.32826	1.9
197.13312	7.4
199.11191	6.3
209.13220	3.4
211.14861	7.5
213.12762	2.6
221.13377	2.0
223.14830	2.6
225.12773	5.7
225.16510	1.9
229.15714	3.9
237.16405	8.4
239.14224	4.8
251.17970	11.5
252.18657	3.4
253.15900	3.4
253.19560	9.4
255.17506	5.9
267.17413	4.4
267.21246	2.1
269.18997	3.2
271.20673	5.4
277.19479	7.4
295.20560	56.0
296.20856	2.4
313.21622	60.9
313.25110	3.9
314.21793	2.3
331.22693	100.0
332.22998	3.5
340.17676	2.0
479.83072	2.2
528.15417	15.8
528.22559	2.5
529.15448	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	528.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.0
58.95448	1.1
61.02946	1.6
64.15701	1.3
67.05510	3.2
69.03429	4.8
69.09772	9.3
70.06569	1.9
71.04993	2.4
79.05486	3.4
81.03370	2.0
81.07077	7.1
85.02917	11.8
85.06546	7.3
91.05489	6.0
93.07049	8.4
95.08588	9.6
97.02874	3.3
97.06527	12.1
99.08104	2.4
105.07034	7.9
107.04974	1.9
107.08607	4.9
109.02918	2.0
109.06509	7.4
109.10166	3.7
111.08059	8.1
117.06982	2.9
119.08585	5.8
121.10123	4.1
123.08041	2.9
127.03890	1.9
129.07008	2.2
131.08556	6.4
133.10133	4.7
133.12794	1.4
135.08072	1.4
135.11691	3.1
137.09637	2.0
141.06937	1.8
142.07841	1.9
143.08551	9.2
145.04951	2.2
145.10126	10.9
147.11707	7.7
155.08586	4.3
157.10181	8.4
159.11678	8.5
163.11163	3.2
169.10095	5.9
171.11699	6.5
173.09592	2.6
173.13211	3.0
175.11197	3.1
177.12721	1.7
181.10121	4.3
182.34447	1.4
183.11674	5.6
185.09717	2.0
185.13254	3.5
187.11179	3.6
187.14821	1.7
189.12733	1.9
195.11708	5.1
196.12421	1.9
197.13289	6.1
199.11189	5.1
201.12677	2.2
207.11678	2.3
209.13268	4.5
211.14839	6.8
212.15678	1.6
213.12802	3.1
213.16292	2.7
221.13248	2.0
223.14861	1.7
225.12726	5.6
225.16379	1.7
229.15839	2.6
235.14777	2.7
237.16403	8.4
239.14366	3.7
251.17921	14.6
252.18504	2.8
253.15825	2.5
253.19495	10.3
255.17445	4.7
267.17462	4.4
267.20914	2.1
269.19012	5.2
271.20544	5.3
272.26590	1.3
277.19379	7.0
293.08002	1.7
295.20557	53.3
307.09622	1.8
313.21594	56.4
314.13989	1.7
314.21832	1.8
325.10583	5.4
331.22653	100.0
332.23108	2.8
343.07196	1.6
351.08588	1.8
372.25320	5.2
528.15155	1.8
529.26093	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	2.3
57.07079	28.1
59.05004	1.5
67.05498	5.4
69.07049	3.0
71.08632	30.6
71.09230	1.5
72.08160	12.3
73.06545	8.8
79.05487	3.9
81.07058	5.1
83.08604	4.7
85.10186	29.6
87.04481	6.4
89.06035	100.0
91.05476	3.4
93.07058	3.9
96.86315	1.4
97.10133	2.0
99.08121	1.7
99.11745	3.2
107.07076	3.4
109.10205	1.8
116.97267	1.3
117.09135	5.7
130.08636	3.1
131.08545	2.1
133.08611	57.6
141.16409	3.4
144.50420	1.3
147.11740	1.6
177.11229	24.4
177.12720	1.4
185.19005	6.9
221.13850	6.4
229.21605	14.3
273.24289	7.5
283.17526	3.2
293.21152	7.9
293.74872	1.7
327.20270	1.9
371.22745	8.2
387.28848	5.4
511.38428	17.0
528.41040	3.4
529.27356	1.9
552.14227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	24.8
57.07090	20.0
57.34830	14.1
59.95724	14.4
60.23642	14.9
67.05516	79.0
68.98273	19.5
69.07062	23.2
70.76030	29.6
71.04980	22.0
79.05585	16.7
81.07057	22.6
83.08599	14.4
85.02914	15.6
87.30574	15.6
90.23341	14.2
100.47004	15.5
103.20107	14.4
109.10176	44.7
118.40855	14.0
173.11832	20.5
229.14281	100.0
255.15822	20.6
312.33063	17.8
313.27502	26.8
339.28812	79.6
368.54166	15.6
493.38864	92.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0651
Annotation	Isoorientin 7-O-sulfate
Peak:m/z	Relative Intensity
53.03919	0.7
54.97718	0.6
61.02898	0.6
65.03909	0.6
68.99751	1.4
69.03399	1.0
70.06552	1.5
72.08117	2.0
73.02876	0.6
81.03413	1.1
85.02859	2.0
86.09671	0.6
92.62123	0.5
93.03390	0.7
103.03904	1.0
109.02814	1.1
111.04432	0.6
115.16544	0.5
121.02817	2.0
131.04893	0.5
135.04414	3.6
137.02351	6.6
137.03358	1.0
141.01807	1.2
146.06007	0.6
147.04387	0.8
149.02333	4.5
153.34380	0.6
161.02316	2.8
163.03842	2.0
165.01836	13.3
167.03395	6.7
177.01813	2.3
179.03345	1.1
181.04866	0.8
183.02950	3.5
187.03810	1.2
189.01819	0.6
191.03424	0.8
195.02916	4.1
201.05481	0.5
203.03403	0.8
205.04985	1.3
215.03329	1.1
233.04401	0.9
243.02856	1.2
245.04382	1.5
255.06485	1.4
258.05432	0.6
270.99011	0.6
271.05890	0.8
272.06827	1.6
276.07544	0.5
283.05994	15.6
286.04736	4.6
287.05478	7.9
295.06058	1.6
297.07507	5.4
299.05487	92.4
300.06241	17.1
301.07095	1.1
311.05521	20.6
311.09143	2.1
312.06076	1.0
313.03360	1.3
313.07043	2.8
321.07553	2.8
323.05597	1.8
323.09045	0.7
324.06274	1.2
325.03479	1.6
325.07004	14.2
325.10672	1.1
327.05188	0.7
328.05728	2.0
329.06537	100.0
330.06863	2.3
337.06979	2.1
338.66992	0.5
339.04984	0.7
339.08597	16.4
340.08752	0.7
341.06631	1.4
349.06949	3.4
351.04904	0.6
353.03061	0.5
353.06531	26.0
365.06589	9.4
367.08188	2.0
377.06558	7.9
383.07602	28.3
395.07626	16.7
409.02231	29.5
410.02585	0.6
413.08652	20.6
431.09720	29.8
432.10165	1.0
440.17639	0.6
449.10776	16.0
493.04340	1.3
511.05542	1.5
529.06494	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07322	1.0
56.96561	18.0
59.02199	1.1
63.64665	1.1
73.21697	1.1
84.96021	6.6
86.09692	2.5
88.89825	0.9
98.97582	47.5
110.97569	15.9
112.99129	3.5
116.98612	18.9
124.99172	1.5
126.97046	1.2
128.98604	19.0
131.00154	3.0
134.99654	3.2
137.06017	1.4
140.98572	5.5
143.00150	8.5
144.98120	3.7
146.99631	5.1
152.98616	3.1
158.99638	13.2
161.01247	6.7
161.02734	2.3
162.99173	2.9
170.99728	7.3
173.01234	2.5
175.48984	1.0
177.00755	12.3
177.02258	2.0
179.02403	1.0
179.03790	22.7
187.02873	1.3
189.00740	5.6
191.03694	1.0
193.05351	1.9
197.04875	14.8
201.00708	5.3
203.03787	2.7
207.03278	1.2
218.99623	2.4
219.01762	39.1
221.04837	25.9
233.04723	1.8
235.06458	1.3
237.02811	61.8
239.05936	8.7
242.03458	1.3
245.04825	1.9
249.04501	2.1
251.05899	1.1
255.03864	3.2
257.05075	1.2
260.04611	1.7
263.05966	8.8
267.00320	1.1
275.05914	2.5
323.08002	93.1
324.08350	2.2
341.09061	67.9
342.09335	1.6
409.11780	1.6
419.15939	1.0
469.13803	100.0
470.14270	2.8
529.17151	2.2
529.25964	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
51.29109	0.3
55.05504	0.6
58.86712	0.3
63.02369	0.7
67.05514	1.4
71.36646	0.3
77.03938	0.3
79.05484	2.2
81.07064	2.1
84.08150	0.3
89.03915	8.5
91.05486	1.9
93.07048	2.6
95.04961	1.2
95.08625	1.9
105.04505	0.3
105.07027	2.8
107.04942	2.3
107.08601	3.3
107.62473	0.3
109.06519	0.3
109.10172	0.5
117.03376	9.3
117.07045	0.4
119.08582	4.0
121.06504	0.3
121.10136	0.9
123.04432	1.0
123.08092	0.7
125.09723	0.3
131.08565	0.8
133.10150	2.8
135.04417	18.0
135.08005	0.4
135.11707	2.4
145.02849	12.3
145.10120	0.6
147.11693	0.9
149.05844	0.3
156.15352	0.3
157.10162	0.3
158.05936	0.3
159.11667	1.1
161.09692	0.4
161.13257	1.3
163.03902	100.0
164.04224	1.5
173.13313	0.2
186.05476	0.4
187.07472	0.3
187.14978	0.3
189.16353	2.6
198.43349	0.3
211.11050	0.3
213.09164	0.4
215.10727	0.4
217.15874	1.3
231.24599	0.4
243.10329	0.3
295.04453	0.7
337.67200	0.3
344.35577	0.3
351.19467	0.9
379.18851	0.8
409.14645	0.3
501.20892	0.4
529.33453	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
57.03415	0.9
57.07078	1.9
63.31430	0.9
65.01540	0.9
67.05507	5.0
69.07083	1.2
69.45399	3.4
79.05503	2.6
81.03445	1.3
81.07058	3.7
89.06001	1.3
91.05442	1.9
93.07043	3.5
95.05027	0.9
95.08622	2.5
95.16603	0.9
105.07058	1.7
107.08626	1.8
109.10203	1.4
123.98738	0.9
124.93769	12.1
130.34077	1.0
131.08652	1.6
142.94812	2.1
151.89940	0.9
198.97441	88.5
216.98564	2.0
255.63316	1.0
256.26462	6.2
308.98627	1.1
435.87259	1.0
437.20432	100.0
438.20880	2.0
493.16568	1.4
511.24008	3.7
528.49542	1.0
529.25165	95.7
529.37793	5.2
530.25183	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	529.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05511	4.0
57.03435	3.4
57.07051	0.3
64.40589	0.3
65.03931	0.8
67.05503	14.3
69.07068	3.5
69.69672	1.0
71.04977	0.5
77.03964	0.4
78.85474	0.3
79.05489	7.0
81.07056	10.8
82.88606	0.3
83.08589	1.0
83.66625	0.3
84.29128	0.3
89.88499	0.3
91.05478	3.3
93.07044	8.1
95.04928	1.3
95.08028	0.6
95.08600	9.1
95.99635	0.3
97.06523	0.6
97.10152	0.4
100.94217	0.3
105.07048	1.9
107.08586	2.6
109.06418	0.3
109.10165	3.4
115.03650	1.3
117.07016	0.4
119.08627	1.5
121.10126	3.3
123.11699	0.6
128.61304	0.3
131.08528	1.0
133.10089	0.8
135.11687	1.6
145.10123	0.5
149.13216	0.5
149.30736	0.3
156.97478	0.7
176.99226	2.9
195.00291	100.0
203.33920	0.3
213.00027	1.7
242.85468	0.4
269.03882	0.9
333.24722	0.4
335.25769	18.1
357.23941	0.9
419.94073	0.3
455.20905	1.0
511.24335	0.9
529.25348	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	529.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05493	2.9
69.62345	2.6
69.85965	0.5
70.06580	1.0
71.04984	0.9
72.08147	5.9
73.06561	1.2
77.09518	0.6
79.05508	0.7
85.02925	0.6
86.53517	0.6
90.09197	6.8
91.05479	2.6
93.07064	0.8
98.06045	4.0
105.07046	1.2
115.05461	1.3
116.07070	1.0
119.04938	1.6
126.61441	0.6
133.06506	0.6
137.05981	6.9
145.06464	1.1
147.04410	1.1
149.06053	0.8
151.03906	1.1
161.05968	1.1
163.03947	1.1
173.06006	2.8
175.03853	1.7
177.06978	1.2
186.03076	5.1
189.05408	1.0
194.07230	0.9
201.05443	12.4
203.07007	1.1
204.05779	0.9
205.06491	8.5
206.07341	1.2
217.06490	0.9
219.08020	1.4
221.06053	1.6
222.06778	5.6
223.07491	0.7
228.23611	0.6
233.05988	11.1
234.06741	2.4
235.07532	0.8
237.05452	0.9
237.09084	6.6
239.07039	1.2
247.07524	2.0
248.08365	0.7
249.05508	3.3
250.06204	7.6
251.07071	1.4
252.07704	0.7
261.05563	2.0
262.06226	1.3
263.07108	1.4
264.07773	4.4
265.05521	1.2
265.08591	16.4
265.11237	1.3
267.06430	1.5
275.06946	0.9
277.04990	2.6
278.05753	5.1
279.06586	1.0
279.10141	2.0
280.07251	1.0
281.07788	0.8
282.08957	1.8
292.07266	13.8
293.04681	1.2
293.08032	18.2
294.08646	1.3
295.05978	1.5
297.11221	3.6
299.12848	1.0
307.09628	29.4
308.06766	9.0
308.10007	1.1
309.07196	0.7
310.08420	2.0
319.06006	1.2
321.03989	0.8
323.09161	5.2
325.10684	100.0
326.11017	2.3
336.06403	1.7
351.08600	33.8
367.20737	1.4
414.19058	7.1
440.16995	5.5
529.16284	1.0
529.26208	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	529.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97075	0.6
55.05521	0.9
63.45450	0.6
70.06596	3.4
72.08152	10.2
85.02919	0.6
86.09707	2.3
91.05463	0.8
98.06058	1.0
113.55904	0.6
128.03094	0.5
141.03355	2.4
159.09123	0.8
163.03828	0.7
173.06001	0.6
175.84164	0.6
191.07039	3.3
192.05565	0.5
201.05338	54.4
202.05832	1.5
211.14557	0.6
213.04179	1.3
220.05202	3.6
226.05034	2.0
226.11932	0.6
229.04970	1.5
234.06775	0.6
235.07535	14.2
237.05429	0.8
237.09042	1.4
241.03746	3.4
244.06117	0.8
248.04683	4.4
249.05426	0.9
252.07805	0.6
256.06042	48.9
263.07050	25.4
264.07584	1.4
265.04886	4.0
265.08493	2.8
277.08456	0.6
280.07306	10.1
281.07901	0.7
282.08902	1.8
285.18747	0.7
291.06509	9.4
295.09482	2.8
296.10486	2.1
297.11346	1.6
298.10730	17.3
308.06757	3.6
313.10757	3.9
316.08063	0.8
316.11765	12.5
323.09125	100.0
324.09436	2.5
343.52029	0.5
346.12656	0.7
349.20175	0.8
350.20358	1.2
394.16370	1.0
412.17532	8.1
422.15909	5.3
440.17041	65.8
441.17255	1.9
443.13876	0.6
529.00165	0.6
529.25800	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	529.2773
Annotation	Ardisiaquinone A
Peak:m/z	Relative Intensity
51.22025	1.2
53.76652	1.2
53.76950	1.2
55.05516	1.7
67.05502	7.0
70.06593	2.2
72.08154	75.5
73.08489	11.8
79.05508	5.6
80.89040	1.4
81.07067	5.7
83.62661	1.2
91.05484	1.7
93.07059	4.7
95.08619	4.8
97.91386	1.3
111.90907	1.4
115.03703	1.6
121.10188	1.9
125.42136	1.4
170.99092	4.2
176.92586	1.7
176.99269	8.2
189.00134	3.2
194.93495	2.5
195.00319	24.3
210.52533	1.5
227.01683	4.9
256.26569	1.6
261.85574	1.8
301.20081	1.8
309.33002	1.3
335.25674	3.3
375.25229	2.8
407.58356	1.5
419.12906	1.6
437.13779	1.6
437.20621	2.9
439.22147	1.9
440.22406	8.1
455.20694	1.5
469.22186	4.4
493.16589	2.6
511.12939	2.6
511.24323	3.0
517.26453	1.7
529.27325	100.0
530.27924	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	529.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55880	0.2
55.79565	0.3
58.83438	0.2
67.88383	0.2
69.03430	0.2
69.07083	0.2
70.66616	0.4
77.63284	0.2
78.81828	0.2
85.02886	0.3
95.61496	0.2
105.07028	0.3
109.02822	0.3
109.10123	0.2
121.06512	0.2
127.03928	0.3
130.27859	0.3
130.75626	0.2
131.08577	0.3
145.10129	0.4
147.04451	0.3
177.58795	0.2
188.67596	0.2
214.18086	0.5
265.69647	0.3
289.64117	0.2
367.28320	0.6
401.22931	0.5
481.31390	0.4
529.33490	100.0
530.26563	0.6
530.33795	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	529.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	2.3
67.05528	2.9
79.07040	2.2
82.79960	1.9
86.56249	1.8
95.08621	2.1
109.10165	1.9
117.00748	1.9
121.10135	2.0
122.54697	2.0
131.59773	1.9
157.87827	2.2
195.09846	7.0
396.72583	2.0
490.02094	2.3
528.49945	5.3
529.34869	100.0
529.49371	9.8
530.34918	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	529.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00366	1.5
53.03946	3.9
55.01881	4.3
55.05513	60.7
57.03436	33.4
57.07077	57.8
59.05002	3.3
65.03950	2.3
67.05507	72.8
69.07069	76.7
69.17799	2.8
69.18204	7.6
71.05005	6.7
71.08631	41.5
75.04482	8.6
77.03915	2.0
79.05489	27.8
79.13299	1.7
81.07059	95.4
83.04997	4.3
83.08124	3.3
83.08620	60.6
85.06535	2.8
85.10183	24.4
85.10651	2.7
87.04480	3.3
87.08104	1.9
90.26013	1.5
91.05515	5.0
93.07050	34.9
93.07603	2.4
93.54528	1.5
95.04964	3.5
95.08607	91.0
97.06533	17.0
97.10170	46.1
99.08118	3.8
99.11720	2.2
100.04824	1.9
101.06049	1.8
105.07049	5.0
107.08590	28.5
107.09257	2.4
109.10156	44.3
109.10887	2.6
111.08086	11.5
111.11716	15.1
115.07571	3.2
119.08591	3.5
121.10158	31.5
123.11707	20.0
125.09642	7.6
125.13300	4.4
129.09172	3.8
131.07077	5.6
131.08601	1.9
133.10175	1.8
135.11690	28.5
137.13277	6.6
139.11153	9.2
143.10683	2.0
147.11685	1.6
149.13275	17.1
151.14880	3.8
153.12769	4.5
157.12245	2.0
161.13251	2.6
163.14810	7.5
167.14372	4.5
177.16371	3.7
181.15891	4.3
184.46399	1.9
185.15358	3.0
191.17979	3.9
195.17497	3.6
198.02080	1.5
205.19673	2.5
219.21132	1.9
223.20656	2.7
247.08240	1.6
251.23677	1.7
256.26437	1.7
269.42191	1.6
286.14792	1.7
317.32080	4.6
327.30591	3.1
335.33047	15.1
345.31561	15.9
363.32632	43.0
364.32910	3.3
381.33463	3.2
395.28339	4.3
399.34686	85.4
400.35425	4.3
437.36340	58.0
438.36563	2.8
454.49170	1.6
455.37302	74.4
456.37506	3.6
511.39929	20.5
529.41058	100.0
530.41321	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	529.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.01863	4.2
55.05514	56.4
57.03439	32.7
57.07077	57.9
59.04990	1.9
65.03930	3.1
67.05506	62.2
67.05866	3.8
69.03457	1.7
69.07066	76.7
69.35146	2.9
69.35548	6.5
71.04993	5.3
71.08636	34.8
73.06561	3.1
75.04475	10.6
79.05487	24.6
81.07056	85.9
83.04977	4.5
83.08623	65.3
85.06528	5.8
85.10191	19.2
87.04482	2.9
91.05481	6.7
93.07041	30.3
93.07600	2.8
95.08604	90.3
97.06520	19.1
97.10171	47.0
99.08084	2.4
99.11762	2.3
101.06027	3.4
101.09685	2.1
105.04501	1.7
105.07047	2.6
107.08601	24.2
109.10151	39.3
111.08095	11.3
111.11716	11.7
113.06036	3.6
115.07581	2.8
117.84467	1.5
119.08527	2.8
121.10142	30.2
123.11700	16.4
125.09604	8.4
125.13276	4.9
129.09149	2.7
131.07072	7.5
133.10147	2.5
135.11682	31.0
135.12648	2.7
137.13286	5.3
139.11169	5.9
143.10724	2.9
149.13264	14.3
151.14841	4.4
153.12762	5.1
157.12221	2.6
163.14833	8.5
167.14355	3.3
171.13873	2.9
177.16425	6.1
181.15942	4.6
185.15376	3.9
185.19051	1.6
191.17986	4.3
195.17419	2.3
199.16945	1.7
205.19493	2.3
213.18564	2.5
227.20018	2.2
233.22714	2.0
237.22142	2.6
241.21689	1.9
249.22253	1.7
251.23769	1.7
256.26364	5.4
263.23672	2.5
265.25528	2.3
279.23459	1.6
283.26523	2.6
317.32001	7.1
327.30341	2.8
335.33078	14.8
340.73654	1.5
345.31519	13.8
347.19669	1.9
363.32568	47.8
399.34683	100.0
400.35153	3.0
437.36270	63.7
447.25552	1.7
455.37320	95.1
456.37628	5.2
511.39902	36.7
529.40985	95.1
530.41364	4.7
532.54254	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.3
55.05514	0.3
56.05016	0.5
56.96563	0.2
58.03819	0.2
58.06592	0.4
59.07395	0.2
60.08164	6.5
67.05498	0.6
69.07063	0.2
70.06577	0.2
71.07371	3.0
71.46329	0.2
79.05480	0.4
81.07055	0.4
86.09705	32.5
91.05486	0.4
93.07038	0.3
95.04955	0.3
98.98470	3.0
104.10102	0.3
104.10745	3.9
105.07051	0.2
107.04986	0.2
109.10162	0.2
118.48706	0.2
119.08561	0.3
121.10133	0.2
123.92200	0.2
125.00002	21.9
134.94177	0.2
143.01024	0.4
147.08015	0.2
184.07341	100.0
185.07726	0.9
258.11237	0.4
296.88916	0.2
333.17023	0.2
351.18640	0.2
351.25165	0.2
383.11652	0.2
487.17398	0.9
512.27704	0.8
530.28937	5.8
531.29419	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21968	1.2
53.55411	1.7
53.65545	1.1
55.05502	2.1
55.14828	1.2
57.03441	2.5
60.06709	1.2
60.29074	1.2
61.02919	3.5
67.05506	4.1
69.03429	8.2
69.07069	9.6
69.37186	6.7
71.04998	1.6
79.05489	3.9
81.03423	2.2
81.07062	13.0
83.05033	1.7
83.08590	1.7
84.04506	1.4
85.02900	20.4
85.06525	2.1
91.05493	4.2
91.16140	1.3
93.07037	4.2
95.04981	1.6
95.08631	8.8
97.02898	6.0
97.06538	5.7
98.23511	2.3
99.04475	2.8
99.08104	2.4
104.87350	1.4
105.07029	7.2
107.08571	7.2
109.02885	3.4
109.06547	1.7
109.10142	5.2
111.01891	1.5
119.08594	8.8
121.06505	100.0
121.10143	6.3
123.08059	5.0
123.11682	3.4
127.03935	1.9
131.08563	5.1
133.10126	7.8
135.08034	6.8
135.11673	3.8
137.09615	1.8
137.13289	1.5
137.25171	1.3
143.08586	2.4
145.05009	3.0
145.10051	8.4
147.08066	8.1
147.11694	4.3
149.09598	1.9
157.10100	7.8
159.08018	2.1
159.11708	6.1
161.09601	14.8
161.13278	4.1
163.11229	6.2
163.14786	2.0
165.05507	3.1
169.10092	3.2
171.11719	9.0
173.09660	5.0
173.13237	5.9
175.11201	4.3
177.12653	1.7
183.11693	3.8
185.09724	2.6
185.13292	3.0
187.11195	7.4
189.12720	9.7
191.14316	5.9
197.13263	2.6
199.11195	4.0
199.14857	3.3
201.12718	3.9
203.14268	1.7
207.13799	2.7
209.13214	2.1
213.12675	2.9
213.16386	2.0
215.14348	4.4
217.12404	2.2
217.15848	2.1
227.17938	4.2
229.15846	5.6
235.13330	5.3
241.19481	4.9
243.17471	8.6
251.18048	2.4
257.18988	4.8
269.18954	16.8
271.20486	4.5
273.18362	2.6
275.20007	4.3
285.18472	2.5
287.20068	12.3
297.18372	4.2
303.19492	5.3
305.21182	4.1
315.19519	11.2
321.20590	29.5
333.16574	2.6
333.20599	51.0
334.20758	2.0
351.21658	50.0
352.21759	1.9
415.97388	1.4
438.97977	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	10.1
55.86934	4.3
57.07093	4.0
67.05502	11.9
69.07072	12.6
69.75081	3.3
71.05990	3.7
71.46082	4.6
76.29141	3.3
79.05491	6.5
81.07028	22.7
83.08631	8.4
85.02897	9.5
90.25352	4.0
91.05531	4.3
93.07035	5.9
95.04980	5.3
95.08621	13.5
97.10208	7.6
100.11274	5.8
105.07027	46.6
107.08604	10.8
109.10171	12.7
119.08566	19.2
121.10150	7.4
123.11752	4.9
125.05957	8.7
129.07011	4.2
131.08568	54.8
133.10149	10.2
143.08577	11.0
145.10121	100.0
147.08072	11.0
147.11674	9.2
149.06032	4.4
155.08609	5.8
157.10168	14.5
159.07831	3.9
159.11697	18.2
171.11662	29.7
173.13295	28.1
175.14874	14.3
183.11685	4.4
185.13303	13.0
187.14896	13.0
189.09109	6.7
199.11162	4.1
203.14365	6.6
210.14900	8.3
217.02074	3.9
217.12312	10.2
227.17944	30.4
231.13988	4.7
241.19519	51.8
243.13919	4.0
243.21136	13.0
251.18082	7.0
253.19643	5.1
269.19135	18.2
271.20557	3.8
279.17664	6.3
287.20010	52.4
297.18564	19.1
311.51535	4.4
315.19598	79.8
333.20578	69.3
336.72693	4.3
389.22858	10.2
525.59045	4.6
530.26080	7.1
530.33990	19.2
531.37976	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	530.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.0
56.68771	1.4
57.07072	1.7
67.05497	2.7
67.09991	1.3
69.03432	1.8
69.07069	15.2
69.61883	4.5
79.05511	2.5
81.03404	1.8
81.07055	15.9
83.08649	2.7
85.02916	2.3
86.09698	8.9
91.05466	2.7
93.07048	5.0
95.04981	2.0
95.08600	7.7
97.02866	2.4
97.06530	15.8
100.04380	1.6
105.07021	4.5
107.08569	8.3
109.10176	2.5
118.63003	1.7
119.08591	6.0
121.06516	29.3
121.10157	3.5
123.11750	2.0
125.00008	5.8
131.08583	4.8
133.10129	4.8
135.08070	2.3
135.11674	2.1
143.08522	1.5
145.10075	2.5
147.08040	3.5
147.11740	4.6
149.09654	2.4
157.10143	2.9
159.11705	3.8
159.41496	1.8
161.09633	5.7
161.13269	3.8
163.11195	6.5
163.14830	1.7
165.05550	2.2
169.10236	1.7
171.11688	4.7
173.09657	4.1
173.13242	4.5
175.11215	3.0
184.07335	30.5
184.08879	2.5
185.09592	2.0
185.13216	2.0
187.11176	6.9
189.12715	8.6
191.14278	12.4
199.11229	2.5
199.14845	2.0
201.12660	2.6
203.14101	1.6
215.67715	1.6
217.12289	3.4
221.11766	4.0
222.91850	1.6
225.16411	2.4
227.17931	7.9
235.13330	6.9
236.14081	2.5
243.17462	16.7
258.14828	1.7
269.18918	9.3
273.18384	2.2
287.20059	8.4
315.19522	3.9
333.20590	100.0
334.21140	2.0
375.21405	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	530.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76830	4.9
55.05503	10.6
67.05511	10.2
69.03427	7.2
70.06579	10.9
71.66991	6.4
72.08140	5.9
79.05521	7.2
81.03426	7.5
81.07062	11.3
84.04494	8.1
84.69209	5.9
85.02899	25.5
86.09711	9.8
91.05484	12.6
93.07034	20.4
95.08641	28.7
105.07022	22.0
107.08598	15.2
109.10211	9.1
111.08062	5.9
117.03375	8.9
117.07046	10.5
119.08548	26.3
121.10143	19.1
131.08589	19.9
133.10121	15.8
135.04410	9.8
137.09598	8.4
143.08522	12.7
145.02887	9.3
145.04890	6.7
145.09033	7.9
145.10075	32.4
147.11684	13.6
149.09579	6.2
155.08510	11.2
155.73636	5.4
157.10164	17.6
159.11694	13.1
161.09612	10.5
163.03934	50.0
163.11098	7.0
169.10112	10.6
171.11639	12.8
173.13252	6.2
175.11154	6.8
180.90285	6.0
183.11659	14.5
185.13226	7.9
193.12210	8.8
197.13147	11.4
199.11212	6.8
199.14958	6.7
201.12836	8.5
211.14825	23.7
219.64256	5.3
223.15009	6.2
227.17950	12.8
239.18097	8.5
241.19592	9.5
251.17961	21.6
257.19116	9.3
264.23077	5.7
269.18997	68.3
285.18500	7.7
287.20047	100.0
287.22980	10.9
297.18353	14.5
305.21051	61.2
315.19550	81.5
326.11017	6.0
333.20660	76.0
351.21591	25.4
530.24170	18.4
551.23230	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	530.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08344	3.5
55.01875	32.7
55.05524	26.0
56.05043	3.7
57.03448	15.1
60.08174	6.6
61.02922	9.8
65.03950	4.7
67.05507	71.0
69.03441	3.8
69.07079	25.7
69.18952	19.8
71.04991	7.3
71.07378	4.6
72.08163	22.8
79.05503	74.2
81.07063	75.4
83.04987	10.5
83.08622	10.5
85.02914	5.5
85.06560	5.2
86.09267	3.8
86.09708	20.4
91.03973	4.8
91.05480	84.7
93.07050	83.2
93.07606	7.2
95.04992	11.2
95.08614	60.7
97.06541	43.6
98.23445	7.2
99.08091	7.3
99.42860	3.6
104.10754	64.4
105.07034	100.0
105.11122	6.8
107.08599	50.9
109.10159	24.7
115.05453	4.0
117.07011	31.0
119.08588	65.1
121.10162	44.9
123.11722	6.3
125.00089	4.9
125.09618	7.7
128.06209	5.3
129.07005	20.1
131.08565	34.1
133.10135	58.5
135.08128	5.9
135.11716	38.6
137.09660	7.3
143.08546	16.8
145.10094	23.9
147.11707	57.4
149.09622	8.1
149.13242	21.8
151.11148	5.2
157.10120	17.9
159.11703	45.7
161.09615	5.6
161.13252	46.5
163.11232	9.7
163.14821	18.2
165.12785	11.0
171.11641	26.9
173.13232	25.5
175.11177	4.9
175.14833	32.2
177.12869	6.1
184.07329	5.9
185.13272	13.3
187.14796	4.4
189.12871	6.6
195.00325	10.7
199.14819	18.4
213.16359	8.1
213.95674	4.9
217.16025	4.8
217.19608	4.7
217.98706	3.7
231.17552	7.9
231.21107	15.5
241.19519	58.3
246.35069	3.9
249.22081	7.8
259.20593	73.7
277.21689	51.9
309.20944	4.2
333.14874	4.1
333.24249	17.6
351.25339	80.3
351.29620	5.2
469.14456	24.9
495.29733	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	531.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76509	0.5
56.96327	0.6
56.96569	7.2
56.96996	0.5
58.83021	0.5
61.08623	0.5
61.55018	0.5
68.05746	0.5
70.06583	1.3
72.08144	1.6
86.09731	2.6
96.13861	0.4
98.97594	0.8
110.97573	0.7
128.98567	0.8
147.04456	0.8
148.06241	0.5
148.42374	0.5
166.95056	0.4
193.01775	0.7
211.02724	1.0
216.19626	0.6
225.00673	0.8
250.98779	1.0
255.01686	0.6
268.99762	0.6
295.02905	0.6
305.06842	0.5
309.00687	0.9
311.01947	0.5
313.03854	1.4
322.01279	0.8
323.02383	1.3
325.03879	0.8
326.00821	0.6
327.01843	1.5
327.11176	1.2
329.03439	1.2
330.00546	0.8
333.00757	2.1
337.03784	1.1
339.01813	1.2
341.03366	3.2
343.04895	1.8
344.02087	1.8
345.02768	8.3
347.04031	0.6
351.01685	21.7
352.02481	0.7
353.03290	1.4
354.00558	1.8
355.04877	9.3
357.02756	6.3
358.04160	0.6
359.04413	11.1
363.04349	1.3
369.02817	58.5
370.03308	1.1
371.04327	4.1
372.01474	1.0
373.05972	3.0
375.04208	2.3
377.05328	1.6
378.05981	0.7
379.05014	0.7
381.02817	6.6
383.04303	0.7
387.03867	100.0
388.04340	3.3
389.04660	0.5
392.04364	2.2
393.02823	2.0
395.04428	1.1
397.06073	0.7
399.03864	19.0
400.04565	0.8
405.04947	18.5
405.10306	1.0
407.04434	0.9
410.05325	3.2
411.03860	14.7
417.04947	7.3
423.03848	1.1
425.05151	0.7
429.04932	21.5
430.04984	0.6
435.03671	2.6
441.18829	0.6
447.05917	0.6
452.06610	2.2
453.04980	2.8
471.05933	9.2
471.13474	0.8
489.07080	16.0
490.07706	0.8
512.08826	1.0
531.07928	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	531.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.0
57.07066	4.0
60.20470	2.8
61.58393	3.1
67.05494	3.3
68.96677	3.0
69.07066	6.2
70.79922	2.7
71.47569	3.5
79.05502	4.6
79.46662	2.8
81.07049	8.8
82.06583	3.5
83.08623	8.6
85.02879	3.6
91.05457	3.4
93.07050	5.1
95.04952	3.9
95.08602	3.6
97.06511	4.0
100.07606	4.0
100.11248	36.4
104.06228	3.2
105.07017	12.7
107.08641	3.7
109.10130	6.4
111.04430	6.1
119.08610	5.6
121.10141	4.3
131.08534	4.7
134.64114	2.9
145.10135	11.6
147.11627	4.7
149.13332	3.2
156.13837	7.2
166.53796	2.9
173.13359	3.4
175.14804	4.6
182.15399	21.0
184.13335	10.9
199.18135	3.4
207.44463	3.0
209.16470	4.9
210.14824	15.4
227.17892	4.9
241.19478	3.7
315.19489	5.5
316.20096	3.6
333.20575	6.2
334.20926	5.5
401.22537	3.6
402.22629	3.6
499.15509	3.1
530.33832	100.0
530.90704	10.7
531.16315	14.9
531.26697	10.2
531.33746	41.6
531.39160	44.3
531.90930	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	531.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01878	1.3
55.06497	0.7
56.02696	0.7
57.03428	3.4
61.02921	6.5
65.03905	0.9
69.03431	19.2
69.94568	1.9
71.01352	1.8
71.04993	1.3
73.02918	7.7
81.03426	5.3
81.07037	1.3
84.23085	0.8
85.02908	15.5
87.04473	3.7
91.03981	1.2
91.05486	1.9
97.02885	8.1
98.22815	1.0
99.04469	1.9
101.02369	1.8
105.07007	1.2
107.05006	1.3
109.02896	3.1
118.57978	0.9
119.04923	1.9
121.02848	2.0
127.03926	2.7
131.04929	3.9
132.05655	0.8
133.06496	0.9
137.05983	1.0
145.06474	3.5
147.04442	1.2
156.05760	0.9
159.08125	1.2
165.06926	1.1
167.16154	0.8
171.08127	1.4
178.07826	2.0
179.08492	0.8
181.06516	0.9
189.07011	2.3
190.07748	3.7
191.08591	2.8
193.73732	0.8
194.07225	1.0
199.07568	1.0
202.07770	6.9
203.08528	8.4
204.09348	1.9
205.06523	3.5
205.10172	1.8
206.07249	3.6
207.08128	1.8
211.07697	1.2
215.08505	5.4
217.06519	1.3
218.07269	4.7
219.08058	7.8
220.08817	6.5
221.06123	1.0
221.09602	3.9
222.06667	0.8
223.07556	0.9
230.07288	3.7
231.08047	15.3
232.08800	8.0
233.06158	1.7
233.09666	6.0
234.06783	2.9
234.10532	1.4
235.07419	4.5
235.11317	1.9
236.08406	1.0
237.09192	1.8
242.07355	1.1
243.08096	3.3
244.05411	1.0
244.08737	1.3
245.06017	1.9
245.09601	5.7
246.06728	2.1
247.07570	9.6
248.08282	12.1
249.09071	8.2
250.09868	1.3
251.07019	2.4
252.07838	2.1
257.05869	0.9
258.06705	3.7
259.07550	12.8
260.08337	6.4
261.05597	1.6
261.09097	13.4
262.06274	3.5
262.09769	3.7
263.07187	2.9
263.10733	9.8
264.07895	0.9
265.08643	3.2
265.12256	1.8
266.09445	1.3
271.07520	1.4
273.05939	1.2
273.09067	7.7
274.06360	1.6
274.09918	2.3
275.07092	6.8
275.10275	5.0
276.07828	14.5
277.08630	9.9
278.06387	0.8
278.09256	3.9
279.06683	0.7
279.10349	2.2
281.11499	0.9
286.06332	1.9
287.07156	4.0
288.07770	5.0
289.05182	1.4
289.08627	6.6
290.06149	1.2
290.09280	7.0
291.06836	2.3
291.10132	28.6
292.07330	0.9
292.10815	2.2
293.08154	4.3
293.11731	2.5
294.08829	2.0
295.09616	0.9
301.08670	5.1
302.09344	2.8
303.06693	1.6
303.10080	2.1
304.07364	10.0
305.08066	8.4
306.08875	5.4
307.06247	1.5
307.09708	5.1
308.10324	1.7
309.08023	1.0
309.11240	4.3
310.11951	1.0
317.08109	1.0
318.09067	2.4
319.09653	37.0
320.10370	4.3
321.07800	1.6
321.11111	7.0
322.08511	1.4
322.12045	2.5
323.12823	3.6
325.14465	2.4
336.10016	2.3
337.10675	6.0
338.11700	1.0
351.12256	93.5
352.12808	2.1
353.13834	5.5
369.13354	0.8
453.15594	2.3
471.16769	3.1
481.14734	1.7
499.15997	100.0
500.16394	7.4
531.18597	89.7
531.31763	1.5
532.18890	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	531.2206
Annotation	Gomisin D
Peak:m/z	Relative Intensity
61.20322	0.3
63.68025	0.3
69.12302	0.3
69.29680	1.6
81.07031	0.4
83.01089	0.4
95.01093	0.7
95.08613	0.3
98.22692	0.7
100.11268	0.6
102.42513	0.3
112.01345	0.7
112.96941	0.4
113.02125	1.1
124.25771	0.3
182.15466	0.3
182.26233	0.3
185.04198	0.7
202.04515	0.9
277.03137	0.3
302.70511	0.4
351.04291	0.3
351.15900	0.4
366.12955	0.9
369.16693	1.1
390.23520	0.4
487.22913	0.8
508.46350	0.3
530.37787	0.6
531.22021	100.0
532.22369	3.2
533.72528	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65217	0.8
54.62701	0.7
67.05494	1.0
75.55247	0.8
79.05485	1.4
81.07083	0.9
83.01079	1.0
83.04978	1.6
85.06541	1.3
91.05487	3.9
93.07047	1.7
95.04937	1.8
105.07034	3.0
107.08607	1.2
117.07024	3.4
119.08548	1.4
123.04182	1.0
128.06238	1.1
129.06978	1.6
131.08583	1.7
133.06483	1.1
142.07651	0.8
143.08577	1.4
145.06422	0.7
145.10121	2.8
149.81952	0.9
155.08540	1.4
155.60487	0.7
163.57982	0.7
173.09575	2.5
194.20398	0.8
223.09418	40.5
224.09760	1.7
253.12100	1.0
271.13040	13.5
292.82172	0.7
331.15152	100.0
332.15512	3.3
388.13098	0.9
499.32462	0.8
531.25494	13.4
531.32898	3.2
554.83618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15122	0.3
55.01880	0.4
55.05515	6.2
57.03185	0.4
57.03438	4.0
57.07052	1.2
65.03919	0.4
67.05508	13.2
69.06718	0.6
69.07072	9.2
71.08625	0.4
79.05125	0.3
79.05505	4.0
81.07063	12.7
83.04979	0.5
83.08623	3.6
85.06583	0.4
91.05479	2.4
93.07043	3.4
95.04932	0.4
95.08030	0.5
95.08612	9.7
96.23532	0.3
97.06524	0.8
97.10171	1.9
98.01845	0.4
105.07042	1.9
107.08576	1.9
109.10165	3.7
111.08125	0.5
115.03675	1.0
119.08572	1.0
120.96639	0.6
121.10152	1.5
123.08160	0.4
123.11687	1.3
133.10138	1.4
135.11731	0.8
135.18007	0.3
137.13306	0.4
147.11696	0.7
149.13237	0.6
156.97475	0.7
161.13254	0.7
163.14925	0.4
174.98573	0.7
176.99213	3.9
177.16432	0.4
184.07341	0.5
195.00307	100.0
196.00662	0.4
198.97388	0.4
213.00101	1.8
263.23734	0.4
269.03912	0.7
269.76251	0.3
313.27328	0.3
321.22803	0.9
337.27374	17.0
338.27829	0.6
359.25638	0.5
377.26602	0.5
439.21960	0.4
457.22110	0.8
513.25800	0.7
531.26849	19.8
532.26862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2935
Annotation	Asn Ile Glu Arg
Peak:m/z	Relative Intensity
57.07079	1.8
59.96128	0.9
67.05495	1.9
69.07084	1.2
69.18767	7.1
70.06599	2.7
71.08636	1.9
81.07072	2.3
84.30166	1.1
88.07664	2.7
91.05460	1.5
95.04947	1.4
98.23434	2.7
104.10695	1.2
105.07050	1.4
121.10170	1.2
198.97534	1.8
200.97926	1.1
205.75006	1.1
256.26401	9.7
257.26678	11.1
273.41098	1.1
531.29376	100.0
532.29639	2.3
552.43695	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.3
55.01881	0.3
55.05514	2.2
57.03443	0.8
57.07073	1.2
63.02373	0.4
67.05506	2.8
67.05825	0.3
69.07072	1.7
69.17015	1.5
78.04736	0.2
79.05495	1.2
81.07056	2.6
83.08622	1.0
83.34087	0.2
87.04470	7.6
88.04819	0.9
89.03915	5.2
91.05476	1.0
93.07067	1.1
95.04981	0.4
95.08614	2.2
97.10169	0.5
105.07016	0.6
106.04166	0.4
107.08597	0.4
109.10165	0.6
117.03382	15.7
119.04960	0.3
119.08572	0.2
121.06516	0.3
121.10155	0.4
133.10149	0.3
134.03642	0.9
135.04405	1.2
145.02850	42.6
146.03188	0.6
149.05989	5.0
157.10150	0.2
158.06053	0.4
162.03159	0.4
163.03920	0.9
177.05475	100.0
178.05812	1.8
178.62044	0.2
186.05527	2.3
189.00117	0.3
195.00346	0.3
195.06538	0.8
233.07951	0.3
251.09216	0.4
256.26300	0.6
257.26779	0.8
278.21909	0.3
284.43118	0.2
397.30078	0.2
466.17981	0.2
490.56808	0.3
531.25690	0.3
531.32587	4.2
532.32874	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51568	0.4
60.86968	0.3
67.26573	0.3
91.05507	0.5
95.38603	0.3
104.99284	0.6
105.07004	0.4
109.02953	0.5
109.10148	0.3
121.10146	0.4
145.74954	0.3
147.11707	0.4
185.04257	0.4
229.34259	0.3
403.24408	1.0
405.22644	1.4
531.35059	100.0
532.28149	1.2
532.35455	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
55.01865	2.1
55.05504	1.9
56.29795	0.6
57.03431	1.2
57.07057	0.8
60.54098	0.6
61.02927	1.6
67.05505	4.1
68.99786	1.1
69.03431	28.6
69.07059	1.5
69.35722	1.4
69.36115	2.0
71.04977	0.9
73.02916	1.2
79.05485	4.3
81.02987	1.2
81.03414	6.2
81.07050	6.3
83.04977	2.0
83.08598	0.7
85.02902	12.9
87.00826	6.4
87.04471	3.1
91.03925	0.7
91.05472	6.8
93.07047	5.8
95.04964	9.0
95.08599	4.2
97.02893	5.6
97.06551	1.4
99.04469	2.1
103.05505	0.7
105.01855	3.5
105.07044	9.1
107.04957	2.5
107.08597	5.6
109.02888	6.1
109.06517	34.1
109.10151	3.0
111.04463	5.4
111.08076	1.2
115.05450	0.8
117.01862	1.4
117.07023	3.0
119.08576	21.8
119.18096	0.7
120.08168	0.8
121.02824	1.0
121.06476	3.7
121.10148	5.4
123.04372	0.7
123.08099	4.4
123.11706	2.4
125.05991	1.9
125.09641	1.2
127.03915	7.9
128.06219	2.0
129.06989	4.9
130.07791	1.8
131.08583	4.4
133.06490	4.1
133.10118	9.4
135.08044	3.0
135.11678	1.9
137.05989	2.4
137.09599	1.5
139.11165	1.4
141.07004	1.9
142.07776	2.1
143.08568	7.1
144.09308	2.6
145.04974	3.0
145.06444	1.3
145.10127	11.7
147.08051	14.0
147.11703	1.5
149.05951	2.5
149.07381	1.1
149.09616	1.6
151.07497	1.6
151.11198	1.2
153.07002	1.3
155.08560	3.6
155.10666	1.0
156.09360	3.2
157.06458	2.2
157.10114	10.2
158.07249	1.1
159.02875	2.8
159.08052	1.4
159.11705	8.2
161.09618	1.9
161.13249	1.9
163.07474	0.9
163.11220	1.2
165.07019	5.7
165.09105	3.2
167.08585	2.5
167.10645	1.0
169.10150	2.4
170.10912	10.3
171.08095	4.7
171.11696	6.5
172.08833	2.7
173.09610	11.1
173.13281	0.9
175.07547	48.3
175.14803	1.5
179.14352	0.7
180.09355	11.4
181.06490	0.7
183.08028	3.0
184.08780	1.3
185.09663	0.9
185.13237	14.7
187.11162	8.0
187.14799	1.1
189.09091	1.3
189.12730	5.2
191.10672	11.4
193.08595	14.1
195.11678	25.3
195.13522	1.2
198.10393	11.8
202.72147	0.8
203.14330	3.1
205.12257	5.0
207.13806	0.9
213.12744	100.0
214.13086	1.4
221.15331	0.7
231.04980	1.5
231.13799	100.0
232.14214	3.2
249.14842	27.2
255.06528	5.4
261.12701	2.1
267.15912	2.8
299.20053	1.2
317.21011	1.1
450.87463	0.9
503.93542	0.7
551.39520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91916	1.7
53.02229	1.9
53.03939	8.0
55.01880	10.5
55.05510	2.8
57.03428	7.9
61.01138	2.0
61.02917	7.9
64.63205	2.3
67.05499	4.3
68.99806	2.3
69.03429	43.8
69.07063	7.3
70.16410	3.8
71.04998	5.3
73.02919	8.4
75.50758	1.8
79.05489	5.6
81.03419	28.4
81.07047	16.1
83.04969	3.3
83.08619	3.0
83.26077	2.0
85.02904	100.0
86.09729	3.6
87.00831	38.0
91.04019	2.5
91.05476	5.7
93.07047	10.0
95.04998	3.3
95.08617	14.1
97.02896	29.2
99.04448	16.1
101.02419	2.1
104.10757	4.8
105.01875	36.9
105.07024	17.2
107.08598	15.5
109.02881	38.3
109.10139	10.9
110.06738	1.9
111.08077	3.6
114.29341	2.4
117.01852	2.0
119.08589	12.2
121.10143	12.3
123.11718	7.4
125.06012	5.3
125.09676	2.3
126.79741	2.0
127.03912	64.9
129.05467	2.4
131.08571	17.7
133.10147	9.5
135.11720	6.7
139.11180	5.1
143.08557	2.6
145.04933	24.9
145.10112	15.6
147.02885	3.1
147.06480	2.0
147.11679	11.5
149.13239	4.1
159.02910	16.5
159.11659	4.6
161.13229	5.5
173.13312	3.9
175.14828	7.7
177.16385	58.2
179.14302	2.3
184.07326	6.6
201.16370	20.6
203.17963	36.7
205.19611	3.3
213.03819	4.8
213.16338	3.4
214.50438	2.1
219.17462	3.2
221.19002	52.2
231.04944	19.3
232.96687	2.3
233.06548	15.7
239.17853	2.3
249.06059	6.7
249.18507	48.4
286.51575	1.9
299.20325	2.3
310.17670	3.8
317.21201	4.1
357.20557	2.0
415.21133	3.3
420.00229	2.0
425.21753	5.8
429.68124	2.5
433.22217	3.9
451.23288	5.3
469.24442	5.2
497.23886	36.4
515.24872	24.9
532.26404	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	532.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04353	1.2
53.51021	1.4
55.05508	2.8
56.05026	4.3
57.03434	2.1
58.06594	1.5
63.24850	1.4
67.05495	4.8
69.07068	4.8
69.78741	1.3
70.06594	2.5
71.07375	13.3
71.08649	2.0
79.05508	1.7
81.07063	5.2
83.08640	1.7
85.08933	4.1
86.09708	80.9
91.34402	1.3
93.07051	2.7
95.08601	3.9
97.10155	1.7
98.98477	2.2
100.07621	1.9
100.11253	27.1
104.10741	8.3
105.03371	1.8
107.08627	1.8
109.10226	2.3
135.11682	1.7
135.76183	1.5
139.01544	2.7
144.42073	1.2
162.95580	70.8
177.43085	1.4
184.07394	2.4
190.35645	1.4
198.08893	51.4
200.20811	1.3
203.94876	1.2
292.54758	1.5
311.25790	3.9
335.25897	2.2
473.20700	100.0
474.21243	3.2
532.27991	70.5
533.28485	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	532.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06612	0.9
60.08164	6.4
67.05493	0.6
69.03416	0.3
70.85615	0.4
71.07372	3.0
72.25911	0.3
85.02900	0.7
86.09709	31.2
95.08592	0.7
98.98473	3.0
104.10744	3.8
105.07042	0.4
107.08589	0.4
109.10173	0.4
118.67429	0.3
125.00005	20.6
154.85271	0.4
184.07343	100.0
185.07660	0.6
190.28865	0.3
240.88210	0.4
275.19830	0.3
306.50107	0.3
514.29138	0.8
532.30499	6.6
532.38531	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	1.5
58.06596	1.7
58.82298	0.6
59.74994	0.7
60.07871	1.1
60.08165	16.7
61.88376	0.7
67.05496	1.3
69.23055	4.2
71.07381	5.6
79.05479	1.2
81.07056	1.0
81.99306	0.7
82.42091	0.8
86.09707	49.8
91.05496	1.2
93.07036	1.0
95.08598	0.8
98.23434	1.4
98.98476	3.1
104.10742	100.0
105.07087	1.2
105.11007	0.9
107.08579	1.2
118.95512	0.8
119.08571	1.2
120.65135	0.9
125.00005	24.7
145.76924	0.7
181.16092	0.8
184.07341	82.9
275.15683	0.7
290.67044	0.7
349.23584	1.0
514.29163	7.0
532.30341	40.0
533.17371	0.9
554.07660	0.9
554.31683	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60433	0.2
54.55973	0.2
54.93608	0.1
55.05509	0.2
56.05029	0.4
57.03426	0.2
58.06358	0.2
58.06610	0.4
59.18621	0.2
60.08161	6.9
60.08467	0.4
63.95774	0.2
67.05496	0.3
69.78143	0.4
69.78506	0.4
71.07372	2.9
79.05495	0.3
80.97475	0.2
81.03398	0.2
81.07055	0.2
85.02923	0.2
86.09703	30.2
87.10012	0.3
91.05473	0.2
93.07039	0.3
95.08604	0.2
97.10204	0.2
98.23324	0.3
98.98458	3.0
104.10740	3.6
105.07005	0.3
116.36168	0.2
119.08601	0.4
121.10171	0.2
124.99998	20.9
143.01074	0.4
145.10136	0.2
184.07333	100.0
185.07697	0.7
196.69052	0.2
211.95506	0.2
219.17392	0.3
258.10999	0.3
349.82901	0.2
514.29663	0.9
532.30365	5.4
533.27130	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	532.304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.3
56.05040	0.6
57.03452	0.1
57.20153	0.1
58.06625	0.5
59.07374	0.1
60.08165	7.3
62.23459	0.1
62.95221	0.1
67.05516	0.5
69.07061	0.1
71.07376	3.2
79.05507	0.6
80.97417	0.1
81.07048	0.6
83.04971	0.2
83.08603	0.1
86.09707	33.1
86.61285	0.1
87.10035	0.2
91.05473	0.3
93.07040	0.5
95.08611	0.3
97.10126	0.1
98.98464	3.2
104.10743	6.8
105.07029	0.3
107.04986	0.2
107.08601	0.5
109.10133	0.2
113.03447	0.1
119.08620	0.2
121.10126	0.2
125.00004	23.3
131.08636	0.1
135.11743	0.1
141.96045	0.1
143.01044	0.3
147.11678	0.1
154.94180	0.1
184.07339	100.0
185.07716	0.5
241.15825	0.1
258.11139	0.3
261.22180	0.2
349.23941	0.1
353.26743	0.1
514.29077	0.8
531.45923	0.1
532.30365	8.0
533.30420	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.7
55.05510	4.2
57.03419	3.8
67.05498	11.6
69.03423	12.3
69.07057	6.7
69.36081	11.6
75.04475	5.0
76.25417	2.1
79.05487	7.2
81.03422	4.9
81.07058	24.0
83.08598	3.8
85.02913	26.7
91.05483	10.7
93.07046	31.5
95.04968	4.0
95.08617	35.2
97.02876	9.0
97.06533	3.1
98.23507	4.9
105.07038	24.2
107.08586	24.6
109.10146	15.1
111.08080	18.4
115.92408	2.3
117.06960	6.4
119.08599	20.6
121.10132	31.9
123.08053	2.8
127.03951	4.2
129.07014	2.1
131.04962	2.9
131.08551	19.6
133.10117	16.4
135.11667	8.2
139.11240	3.2
141.06929	2.9
143.08559	5.3
145.04939	5.1
145.10110	26.0
147.11702	21.8
149.09663	4.7
149.13234	9.1
155.08615	3.5
157.10144	14.3
159.11711	14.8
161.13222	10.3
163.14818	10.0
167.10585	3.1
169.10152	3.7
171.11717	13.4
173.13255	9.0
175.11195	3.3
175.14806	6.5
180.08670	18.4
183.11682	7.6
185.13260	7.2
187.11212	2.5
187.14812	4.0
189.12730	3.8
193.12169	7.2
196.49431	2.6
197.13281	11.9
199.14865	8.1
201.16441	18.5
207.13791	4.3
211.14775	5.1
213.16377	7.2
225.16280	8.9
227.17981	6.7
229.19513	20.4
231.07919	3.7
239.18060	5.2
241.19533	6.2
243.17412	4.2
243.21072	4.9
253.19473	26.3
255.20883	2.7
257.19000	16.9
271.20544	38.0
273.18597	3.6
275.20087	39.2
281.19009	4.8
287.20065	17.7
289.21631	37.1
299.20032	35.9
307.22672	100.0
308.22839	3.3
317.21042	28.7
318.21423	2.7
320.09769	5.1
335.22131	49.1
352.12488	7.8
353.23041	7.5
392.06168	2.5
416.10748	2.8
500.16098	9.1
532.18835	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	532.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13960	6.1
62.53173	5.3
63.15731	5.7
63.16512	6.7
67.05499	16.7
69.03426	48.0
69.07067	9.9
70.06602	8.8
73.02898	10.6
79.05486	15.4
81.03427	11.3
81.07057	46.1
85.02896	76.5
86.09714	17.6
87.00837	13.5
91.05471	16.9
93.07040	30.2
95.04980	17.1
95.08598	34.0
97.02897	27.9
105.01875	14.9
105.07009	54.1
107.08611	51.8
109.02885	22.4
109.06506	15.6
109.10174	39.8
111.04514	7.5
116.98666	7.3
119.08545	36.6
120.83269	6.6
121.06490	8.1
121.10140	25.6
123.08075	12.2
123.11720	18.9
127.03935	28.6
130.07738	7.4
131.08531	41.6
133.10147	30.8
135.11720	10.1
137.05992	6.7
143.08559	11.3
145.04933	9.9
145.10132	47.8
147.08098	12.4
147.11678	72.9
149.13310	13.7
155.08565	8.3
157.10092	18.1
159.02670	7.1
159.11688	27.7
161.13303	12.0
163.03894	12.2
163.11163	10.9
165.12871	6.8
169.24046	5.6
171.11731	15.4
173.09570	16.0
173.13275	10.5
175.07555	8.7
177.09062	7.3
183.11684	12.7
185.13268	24.7
187.14801	8.1
191.10715	21.6
193.08572	13.0
193.12212	8.3
197.13234	32.9
203.14375	7.0
225.16475	9.6
229.19536	22.7
231.13838	16.3
243.13756	8.5
249.14850	34.3
251.10638	7.5
253.19504	59.7
255.21121	28.1
271.20560	66.3
273.22131	15.3
275.19962	7.7
278.76801	8.3
289.21655	72.9
291.23111	10.1
294.53333	9.2
299.20059	100.0
303.26138	6.6
307.22580	16.6
317.21085	41.0
335.22113	33.8
353.23264	19.9
373.82416	7.1
443.18842	16.1
497.20090	25.1
532.26874	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	532.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05527	5.3
61.02930	3.8
61.93731	2.7
61.95249	2.6
67.05502	13.1
69.03428	13.2
69.07078	7.5
79.05504	14.0
81.03419	5.3
81.07056	40.1
82.00481	3.3
83.02396	3.4
85.02905	35.7
87.04478	3.5
91.03995	4.2
91.05479	17.6
93.07037	29.3
95.04976	4.4
95.08615	40.6
97.02911	9.0
99.04523	2.9
103.05469	3.9
105.07034	52.4
107.04928	3.3
107.08616	28.8
109.02874	3.2
109.06556	5.2
109.10156	23.2
111.08086	11.7
111.11720	3.6
117.07011	10.6
119.08577	26.3
121.06558	4.1
121.10128	31.8
123.08041	4.8
123.11708	8.2
127.03910	6.8
129.06984	3.6
131.08560	30.6
133.10126	31.7
135.11702	12.8
137.09601	4.6
139.11183	5.8
143.08571	17.1
145.04973	4.7
145.10127	43.5
147.08066	3.5
147.11681	43.5
149.09692	4.4
149.13269	8.5
155.08580	12.6
157.10124	25.6
159.11693	28.5
161.09616	4.6
161.13245	7.9
163.11137	6.4
165.09097	4.3
165.12773	4.0
169.10043	16.1
171.11679	20.1
173.13271	15.2
175.11198	4.0
175.14856	5.8
177.12744	4.4
182.10918	3.0
183.11734	16.7
185.13303	11.8
187.14819	6.7
189.12738	6.3
191.10655	5.2
193.12267	4.7
195.11755	2.8
197.13249	25.8
199.14778	18.2
201.12778	3.2
201.16394	8.1
205.12238	5.8
209.11697	7.5
211.14854	10.0
213.16350	12.0
225.16420	16.7
227.17979	8.7
229.19511	9.0
239.17892	3.5
241.19498	6.6
243.13765	7.1
243.21124	11.9
246.08133	3.1
253.19505	55.6
255.21117	11.9
257.15240	3.6
259.16888	6.4
259.20679	4.7
271.17581	6.6
271.20557	93.2
272.21008	6.4
273.18488	5.3
273.22183	5.1
275.19968	7.1
281.19009	9.8
287.19998	15.4
289.21643	80.0
291.23135	3.4
299.20053	99.5
307.22693	100.0
308.22983	6.8
317.21146	86.0
317.24469	4.5
328.56317	3.3
335.22137	57.7
353.23227	16.9
419.82959	3.2
461.25278	5.0
532.17780	3.6
533.27203	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	532.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05513	5.2
57.03434	1.4
57.07079	1.8
61.02923	1.3
61.47536	1.0
67.05502	2.4
69.03438	3.6
69.07069	7.0
69.42554	1.3
71.05009	1.1
76.88753	1.1
79.05506	4.4
81.03417	1.9
81.07063	17.0
83.04982	16.4
83.08629	2.3
85.02904	10.3
91.05476	3.7
93.07055	4.1
95.04967	1.9
95.08620	6.6
97.02889	3.2
97.06528	12.9
97.10184	3.8
98.22671	2.1
101.97888	1.4
103.05447	1.6
105.07030	84.9
107.08623	3.1
109.10165	6.6
111.11720	3.2
117.07008	3.3
119.08577	15.3
121.10137	2.5
123.11735	2.4
125.05997	1.2
127.03918	2.4
128.06241	1.9
129.07010	2.7
130.07762	1.2
131.08568	35.6
133.10126	6.8
135.11726	1.5
137.13255	1.7
141.09184	1.1
142.07787	2.2
143.08560	11.4
145.04980	4.6
145.10127	100.0
147.11685	2.6
149.05986	11.9
149.13295	1.4
155.08521	2.5
156.09340	3.3
157.10132	15.8
159.11694	16.2
161.13290	2.3
163.07518	2.5
169.10115	10.9
171.11674	16.9
173.13266	41.4
175.14827	11.0
183.11737	3.2
184.07352	1.6
185.13277	5.1
191.10782	1.8
197.13307	5.7
199.14822	11.7
201.12759	4.0
203.14291	1.3
211.14871	4.5
213.16409	3.1
219.13811	27.3
221.15495	1.6
227.17941	38.2
253.19507	18.3
255.21138	6.1
271.20618	11.1
281.18826	2.7
287.19946	1.9
299.20038	27.9
317.21100	7.8
330.58459	1.1
532.29010	1.5
532.35571	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	532.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64181	6.4
55.05511	24.0
57.03436	16.3
57.07060	10.9
60.08171	5.9
65.03941	6.1
65.30360	5.1
67.05504	98.1
69.07061	17.4
70.70537	7.5
70.70869	6.8
71.08633	10.2
78.48981	6.1
79.05492	51.1
81.07057	92.0
83.08631	13.9
85.02898	6.0
85.10186	10.4
86.09700	34.8
91.05473	36.4
93.07043	76.1
95.08607	87.6
99.08076	11.2
104.10728	19.7
105.07018	20.0
107.08597	42.9
109.06598	5.4
109.10138	34.2
113.09686	9.7
117.06995	13.6
119.02821	6.5
119.08607	20.5
121.10121	33.3
122.97804	5.3
123.11675	10.4
125.00026	19.6
131.08577	23.6
133.10133	14.4
135.11713	20.5
137.13261	7.6
145.10088	7.8
147.11711	17.2
149.13229	29.7
151.14793	9.7
159.11732	11.1
161.13290	9.7
163.14854	15.9
171.93233	5.5
173.13290	12.2
184.07343	100.0
187.14848	5.9
195.00298	11.1
196.00601	11.1
197.00732	17.2
198.08812	6.5
243.21179	29.8
243.85095	6.1
246.46581	5.5
261.22122	74.6
279.23175	22.8
335.25626	14.2
353.26825	57.5
391.28696	7.0
471.15857	19.6
558.45557	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	532.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89561	0.8
57.07078	79.5
66.93443	0.8
67.35229	0.8
69.03447	1.3
69.07067	1.0
69.19041	5.5
71.08653	0.9
73.06569	1.8
77.03924	1.6
77.40540	0.9
78.15894	1.0
87.04469	11.9
89.06031	100.0
90.06367	1.1
91.05484	9.5
93.07039	11.5
95.04973	4.0
98.22665	2.2
103.05484	4.4
105.04539	1.7
105.07050	1.8
107.07095	1.3
107.08589	3.1
109.59389	1.0
113.13286	1.3
117.07061	1.2
118.07826	5.4
119.04932	4.4
119.08546	5.1
120.36765	1.1
121.05618	2.3
121.06505	49.3
131.07054	3.5
133.08604	64.6
135.08049	4.6
135.11702	2.4
147.08018	14.3
149.09619	4.7
150.06802	2.4
159.11690	1.8
163.11163	3.6
165.09105	21.2
165.10417	1.6
167.10785	2.3
175.09612	1.8
177.11234	24.5
177.12706	1.5
191.10664	4.9
209.11696	12.0
211.13301	3.6
217.17117	1.1
221.13806	7.1
233.19008	23.6
235.13263	2.2
253.14325	2.3
259.20682	2.5
269.97949	1.0
271.15521	1.4
277.18588	1.7
277.21625	34.0
297.16763	1.5
303.23172	2.0
315.17999	4.3
321.24222	12.8
359.20584	4.8
403.23260	45.9
404.23605	1.5
427.30948	1.0
515.35779	47.9
516.35931	1.6
532.38361	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	533.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.2
53.20842	0.8
55.01859	1.3
57.03432	1.6
61.02911	2.8
69.03432	6.0
70.06596	2.0
72.08152	2.2
79.05469	1.6
81.03416	2.8
85.02904	13.6
86.09711	4.2
89.03905	0.9
91.03944	0.9
91.05479	3.7
94.04181	3.3
94.09184	0.8
94.09813	0.9
95.04962	1.0
97.02906	5.5
107.04936	1.4
109.02909	1.0
109.06562	1.2
117.03418	0.9
119.04913	1.1
122.03636	8.7
127.03940	2.8
129.07005	2.0
131.04878	1.4
131.08589	2.9
137.05977	100.0
140.00984	0.8
141.07027	1.6
144.05786	1.7
145.04930	1.3
145.06483	1.0
149.05980	3.0
151.07539	10.0
156.05714	6.3
157.06535	1.9
159.02646	0.9
159.08093	4.4
161.06004	1.1
167.06987	6.8
170.07265	2.5
171.08160	1.0
172.05179	1.4
173.06039	1.6
173.12859	0.9
175.07559	2.0
185.06236	1.0
187.07547	8.8
198.06783	1.0
199.07579	2.1
201.05421	0.9
201.09084	1.6
202.06210	2.5
203.08614	1.1
205.08638	3.8
215.06892	1.2
217.06628	1.8
217.08588	20.5
219.08118	1.2
221.09685	1.3
231.08081	1.2
231.10150	11.8
233.09541	1.3
234.06851	1.3
247.07506	1.3
247.09677	6.4
249.09131	3.2
251.07062	1.1
261.09094	2.1
263.07111	1.9
263.10632	1.6
276.07901	1.2
277.08612	2.5
291.10168	2.3
293.08502	1.0
293.11780	1.9
307.09686	1.3
309.11221	2.6
321.11093	1.1
323.12637	1.3
326.11569	1.8
327.12402	1.1
339.12286	1.1
341.13727	2.6
353.13870	7.7
355.15347	15.8
361.05765	1.8
371.04630	2.2
371.14865	8.0
389.05600	3.2
431.06567	2.2
515.60577	0.9
533.20917	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	533.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23675	0.9
53.03938	1.4
54.16476	0.8
55.01886	1.3
57.03427	1.0
58.07058	0.8
61.02924	2.1
69.03433	7.9
70.28890	1.8
73.02903	1.1
78.04715	2.9
79.05492	8.0
81.03432	2.2
82.70547	0.8
85.02903	13.2
87.04510	0.9
90.69285	0.8
91.05478	2.8
95.04974	2.9
97.02898	5.9
99.04441	0.9
103.05463	3.1
103.73837	0.8
104.06220	0.8
105.04528	1.5
105.07032	7.5
106.04195	2.1
107.04948	13.8
109.02882	1.8
109.21951	0.9
115.05451	3.7
117.07027	1.4
118.04134	1.0
119.08566	3.4
121.06580	1.0
123.04440	4.2
124.05206	3.8
127.03925	2.4
128.06219	2.9
129.07002	7.5
130.04156	1.1
130.47598	0.9
131.04904	4.2
132.05696	3.1
133.06490	9.0
134.75201	0.9
137.05954	1.3
137.31854	0.9
141.06989	1.9
143.06056	1.5
144.05730	1.6
145.04881	1.2
145.06526	1.6
147.08080	4.7
149.05905	1.5
151.03874	1.3
152.04718	2.1
156.05746	1.2
159.08122	4.4
160.05183	2.0
160.15373	0.8
161.05991	10.9
163.07593	1.1
167.07040	100.0
169.06535	2.2
171.08052	1.3
172.05130	1.2
172.21617	0.9
175.07553	49.3
177.05518	1.2
184.05225	2.3
185.06021	1.0
187.07538	15.3
189.07039	1.4
189.09076	1.7
190.07828	1.8
191.07022	12.5
191.08615	1.6
193.08611	17.1
193.10225	0.9
199.07558	12.1
201.09113	2.2
202.07756	1.8
203.08549	3.4
206.07271	1.6
207.08044	1.4
209.08144	1.1
215.08562	2.4
217.08661	1.0
218.07278	3.7
219.08057	2.6
220.08925	1.0
221.09593	3.8
231.08119	2.7
232.08873	1.8
233.09610	3.5
234.06892	2.0
235.07484	2.9
243.08017	1.7
246.06796	2.9
247.07640	2.9
248.08255	1.4
249.09001	4.9
251.07080	1.0
260.08340	1.3
261.09076	6.6
262.09689	1.2
263.07098	2.7
265.08578	1.1
274.06348	1.6
275.06836	1.7
277.08551	3.0
278.09381	2.5
281.11691	6.5
289.08594	7.4
290.09348	2.4
291.06647	2.2
291.10175	1.7
293.11682	3.3
294.08853	1.7
295.09622	0.9
306.08795	2.2
307.09647	1.6
309.11121	8.7
310.12061	1.3
321.11206	14.0
322.11984	2.4
323.12561	1.8
325.14508	1.7
326.11365	2.2
338.11414	2.0
341.13824	24.9
353.13837	26.8
355.15240	3.0
403.64636	1.0
453.44778	1.0
514.56964	0.9
530.72565	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.3
57.03436	1.4
57.54851	0.7
58.84096	0.8
61.02927	2.6
69.03434	7.0
69.14665	5.0
70.06619	1.5
79.05496	1.8
81.03429	2.4
81.07047	1.0
85.02908	15.7
86.09715	2.1
87.04525	0.8
91.05499	4.3
94.04196	4.2
95.04945	1.3
97.02888	5.6
99.04441	1.0
103.05490	1.2
104.20256	0.7
107.04965	2.8
109.02883	1.5
109.06517	1.9
115.05444	1.1
119.04937	2.0
122.03649	7.0
127.03933	1.7
128.06218	1.4
129.06993	1.7
131.04933	1.3
131.08572	2.3
137.05986	100.0
138.06371	1.1
141.07007	1.9
143.08537	0.8
144.05722	2.1
145.04942	1.2
145.06555	0.9
149.05978	3.3
151.07553	10.9
156.05713	6.1
157.06522	1.0
159.08086	4.5
159.09143	0.8
161.06047	1.0
167.07066	6.4
169.06464	0.9
170.07288	3.2
171.08067	2.1
172.05225	0.9
173.06067	1.2
187.07527	6.9
198.06842	1.1
199.07492	2.7
201.09138	1.4
202.06213	1.9
203.08588	1.2
205.08583	4.7
207.08035	0.7
215.07047	1.7
216.07825	1.2
217.08611	19.7
218.07228	0.8
219.10182	1.5
220.08806	0.9
221.09671	0.9
228.50896	0.7
231.08122	1.2
231.10188	13.4
233.09676	2.1
234.06943	0.9
235.07518	0.9
238.09961	0.8
247.07489	1.3
247.09688	7.1
248.08493	1.0
249.09184	2.4
261.09238	1.5
263.10675	1.8
275.10721	0.8
276.07892	1.1
277.08554	1.8
278.09488	1.4
291.10144	1.5
293.08423	1.0
293.11740	1.6
300.09958	1.0
307.09760	1.1
309.11240	2.1
313.10654	1.3
321.11237	1.8
323.12830	1.7
325.10663	0.9
326.11548	1.2
341.13803	2.0
353.13892	7.6
355.15427	11.9
371.14713	6.7
467.00543	0.9
508.94415	0.8
533.21118	2.4
558.32892	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13360	0.8
53.03944	1.0
55.01862	1.6
57.03416	1.3
61.02934	1.7
69.03424	6.7
70.06612	0.7
71.32100	0.8
78.04712	2.9
79.05498	7.2
81.03427	2.5
83.84901	0.7
85.02908	15.7
91.05464	3.6
95.04966	2.5
97.02882	3.8
99.04417	0.9
99.92542	0.9
100.11249	1.2
103.05473	2.6
105.07037	7.9
106.04191	1.5
107.04958	15.9
109.02876	1.9
115.05453	4.5
117.07015	1.9
118.04121	1.1
119.08546	4.5
123.04433	4.4
124.05221	4.8
125.05990	1.6
127.03902	1.2
128.06198	3.8
129.07021	6.8
131.04918	3.9
132.05688	2.9
133.06479	6.4
137.05942	1.3
141.06998	1.6
143.06012	1.2
144.05690	1.1
145.04976	1.7
145.06493	1.0
147.08069	4.3
148.05151	1.0
151.03943	1.6
152.04680	2.8
153.05458	1.5
154.22141	0.7
155.04874	1.1
156.05717	1.7
159.08055	3.5
160.05183	2.6
160.46025	0.8
161.05983	10.3
167.07040	100.0
168.07423	1.0
169.06429	1.7
171.08067	1.1
175.07550	47.4
176.04713	1.0
176.07840	1.1
177.05432	0.8
179.07016	1.1
184.05197	2.2
187.05954	1.4
187.07544	16.8
189.07076	1.8
189.09094	1.8
190.07782	2.3
191.07018	10.0
191.08633	0.9
192.07632	1.0
193.08588	17.0
199.07538	13.0
201.09125	2.2
202.07817	1.6
203.08705	3.6
204.09189	0.8
205.06348	1.4
205.10143	1.2
206.07262	1.4
207.07994	0.8
209.08139	0.8
215.08604	2.6
217.06551	1.3
217.08620	1.6
218.07265	4.2
219.07988	3.3
220.09006	1.0
221.09608	2.8
229.06412	1.7
231.08066	2.6
232.08882	1.0
233.09633	4.6
234.06693	2.0
235.07547	3.5
243.08170	2.1
246.06787	2.9
247.07520	1.7
247.85310	0.8
248.08296	0.9
249.09116	4.4
250.10005	1.0
251.07030	2.5
257.05902	1.2
258.06754	0.9
259.07550	1.7
260.08228	3.0
261.09073	7.6
263.07016	3.0
263.10718	0.9
266.09366	1.4
273.09036	0.9
274.06226	2.1
275.06952	0.9
277.08597	4.6
278.09308	2.9
279.06677	1.2
279.10114	1.4
281.11703	7.7
289.08545	7.6
290.09320	3.0
291.06647	0.9
291.10083	2.1
292.07159	0.8
292.87161	0.9
293.11703	3.3
294.08929	0.9
295.09772	0.8
306.08728	2.5
307.09637	1.4
309.11087	9.3
310.11844	1.3
311.09427	1.2
321.11212	13.9
322.12000	2.3
323.09036	1.4
325.14325	1.9
326.11505	3.0
338.11343	1.3
341.13840	26.0
353.13846	23.7
355.15341	2.9
402.36426	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2724
Annotation	Roridin A
Peak:m/z	Relative Intensity
55.79706	0.2
57.93629	0.2
59.04995	0.2
69.16664	1.5
76.32806	0.2
86.82889	0.2
110.31441	0.2
116.83432	0.3
137.05981	1.9
191.07045	0.3
198.89638	0.2
201.03719	2.8
203.05258	30.3
210.78188	0.3
217.08646	0.3
353.14059	0.3
433.36990	0.3
533.27209	100.0
534.27631	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
53.03940	7.2
55.01867	4.1
55.05255	1.3
55.05508	20.7
55.05772	1.2
56.49392	0.9
57.03439	5.8
57.07076	6.0
59.05059	1.1
61.02926	10.4
65.03939	3.7
67.05155	2.1
67.05502	27.6
68.99794	12.4
69.03427	28.4
69.07066	29.1
69.82750	2.8
71.01335	1.3
71.04989	4.9
71.08635	1.7
73.02925	3.5
77.03917	1.7
79.05492	36.4
79.05947	2.2
81.03416	43.3
81.07055	55.1
83.04980	8.7
83.08617	13.6
85.02905	47.7
85.06554	1.7
86.09704	2.1
87.00822	16.7
87.04462	1.3
91.03957	1.2
91.05474	36.0
93.03401	1.7
93.06443	1.8
93.07040	36.3
95.04961	15.7
95.08602	62.9
97.02890	18.5
97.06536	6.5
97.10180	5.5
98.22743	1.8
99.04449	8.9
103.03934	8.9
103.05495	3.2
105.01871	6.5
105.03423	1.7
105.04510	3.8
105.07027	99.6
107.04960	25.1
107.08592	39.9
107.09336	1.3
108.08913	1.4
109.02875	28.1
109.06528	8.9
109.10151	32.8
109.10890	1.9
111.04438	6.0
111.08115	1.7
111.11744	5.0
113.06016	1.1
115.03948	1.5
115.05453	2.2
117.01823	2.4
117.07023	11.4
119.04973	2.0
119.08578	71.8
121.06530	5.1
121.10144	23.1
121.10986	1.7
123.04401	4.7
123.08092	3.7
123.11706	8.3
125.00050	1.2
125.02298	0.9
125.05983	15.4
125.09615	1.2
127.03910	35.6
128.06233	2.9
129.01836	17.0
129.07001	6.3
130.07799	3.9
131.08562	56.6
133.06532	7.5
133.10127	51.3
135.04466	2.8
135.08069	4.0
135.11688	11.0
137.06006	2.9
137.09627	2.4
137.13257	3.4
138.39169	1.0
139.07535	2.2
141.05502	1.6
141.06999	2.6
142.07800	4.2
143.08542	15.5
144.09354	3.6
145.04984	3.2
145.10121	74.8
147.02855	11.1
147.08063	5.4
147.11684	41.1
147.12865	1.9
149.05997	1.9
149.09639	4.3
149.13255	10.0
151.07524	2.2
153.01796	1.7
153.05487	2.4
154.07753	1.1
155.08540	7.5
156.09349	4.6
157.10133	17.7
158.10913	3.6
159.02844	4.9
159.08015	4.5
159.11690	28.0
161.09631	16.2
161.13251	22.0
163.07600	1.4
163.11205	1.7
163.14810	4.6
167.08600	2.2
167.10751	1.1
168.09404	2.2
169.10097	11.4
170.10806	2.3
171.02922	1.9
171.08090	1.3
171.11684	16.5
172.12566	1.7
173.09673	6.8
173.13246	37.8
175.11310	8.7
175.14813	87.5
176.15070	1.1
177.09215	1.7
177.12746	1.8
177.16438	3.2
179.08582	1.5
181.10175	4.2
182.10916	3.0
183.11696	9.7
184.07283	5.0
185.09697	1.8
185.13239	15.1
187.11209	3.3
187.14813	16.4
189.03943	10.1
189.09212	1.6
189.12712	5.6
189.16385	4.2
191.10719	4.2
191.14424	1.5
193.10197	2.3
194.10941	1.2
195.11597	4.6
196.12466	1.7
197.13240	14.0
199.14836	14.0
201.12781	7.0
201.16385	11.0
203.14299	29.3
203.17926	4.5
207.11742	2.6
209.11554	1.7
209.13301	5.4
211.14813	16.8
213.03995	5.8
213.12854	1.6
213.16397	8.3
215.14339	3.6
215.18016	3.3
219.11757	2.3
219.13863	3.4
221.13306	2.5
221.15424	3.3
223.14883	3.8
224.70375	1.1
225.16385	9.8
227.14474	1.1
227.17944	15.7
229.15881	3.6
229.19542	2.3
231.05008	3.8
235.14839	3.1
237.16403	3.8
239.18011	3.7
241.19496	5.7
243.17459	1.6
243.21088	6.9
247.14803	1.1
249.16476	2.4
251.17950	2.7
253.19519	6.0
255.21117	2.8
257.22589	12.3
263.17871	1.4
264.18936	1.0
265.19571	4.5
267.21066	59.3
268.21341	1.3
269.19061	3.0
269.22681	2.0
277.16068	1.1
277.19592	3.1
279.21048	8.1
281.22638	10.6
283.20422	1.3
285.22119	100.0
286.22540	3.1
289.19492	1.3
291.21133	3.4
293.22662	4.1
295.11710	1.0
297.22180	3.2
305.22656	4.8
319.24304	1.4
321.21912	1.0
323.23795	1.5
327.23166	1.1
329.22641	4.8
347.23749	8.8
355.10413	2.8
365.24832	2.3
383.25760	1.3
393.24350	2.8
411.25351	1.8
429.26407	3.9
451.19540	1.5
451.24945	1.6
469.25226	1.3
471.27307	2.8
487.26782	1.5
497.25400	1.4
505.28003	6.9
515.26392	3.9
533.27448	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.5
57.03435	5.3
57.07084	4.0
64.54612	0.7
67.05507	12.2
69.07065	14.8
69.35016	0.8
69.44582	4.1
71.08639	2.1
79.05499	4.6
81.07059	11.0
83.08626	10.1
85.10180	1.3
91.05478	1.9
93.07060	6.8
95.08611	9.7
97.06561	1.8
97.10163	4.9
105.07029	1.3
106.85570	0.8
107.08612	3.8
109.10149	4.1
111.08061	1.2
111.11734	1.2
115.03674	1.7
119.08580	1.6
121.10130	5.8
123.11678	1.2
129.45090	0.7
131.36113	0.8
133.10155	1.4
135.11690	3.4
137.13260	1.0
149.13277	1.5
156.20634	0.8
163.11249	1.0
176.99268	6.9
178.38356	0.9
179.05338	0.8
184.18222	0.9
195.00298	100.0
210.24626	0.8
215.12810	0.9
229.01340	0.8
269.03876	1.6
306.09064	0.8
339.28934	19.6
340.29541	0.9
441.23795	2.8
499.47388	0.9
515.27423	1.5
515.37518	1.4
516.50787	1.0
533.14325	5.0
533.28351	45.4
533.35706	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	533.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51108	0.5
55.05509	3.4
57.03433	1.8
57.07077	1.9
58.06599	1.5
60.08159	0.5
60.44638	0.5
67.05502	3.8
69.07075	5.4
69.51775	1.2
69.52166	1.0
70.06592	4.4
71.04979	1.5
71.07354	0.6
71.08644	1.1
79.05489	0.8
81.06632	0.6
81.07066	7.1
83.08619	3.1
84.08131	1.1
86.09697	2.3
88.07609	0.9
93.07019	0.6
94.04166	0.5
95.08606	7.0
97.10161	2.4
102.09211	0.9
107.08600	0.8
109.10160	4.0
109.59462	0.5
121.45094	0.5
122.03678	2.7
123.11703	0.8
125.00024	1.5
125.24108	0.5
133.10062	0.7
137.05978	85.1
143.68721	0.6
149.02319	0.9
151.57268	0.6
162.08618	0.6
170.15399	1.7
170.19070	0.6
182.15382	5.3
184.07332	5.7
193.04955	2.4
210.22177	11.1
219.32080	0.6
228.23224	100.0
229.23634	1.4
256.26318	1.2
306.20660	7.1
347.25659	0.9
421.29019	0.7
533.35956	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	534.255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	5.2
55.01873	4.9
55.05510	8.4
55.49470	1.0
57.03441	3.9
57.07077	1.2
61.02927	4.1
65.03954	2.3
67.05508	15.0
68.99813	1.5
69.03432	18.7
69.07075	4.2
69.91181	2.6
71.05000	4.6
73.02912	6.3
79.05491	9.4
79.33815	1.2
81.03426	19.3
81.07061	39.1
83.08648	1.8
84.04488	1.2
85.02905	42.2
85.06544	1.8
85.54792	1.1
87.00838	15.3
87.04464	1.4
91.03982	2.3
91.05457	6.0
92.59288	1.1
93.07048	14.5
95.04971	7.9
95.08611	51.7
97.02893	28.9
97.06544	9.3
97.10182	3.9
97.98372	1.0
98.23471	1.4
99.04459	10.7
99.08085	1.4
105.01857	13.0
105.07027	15.5
107.04996	1.4
107.08585	22.0
107.09257	1.7
108.04523	1.3
109.02876	19.3
109.06521	8.2
109.10154	11.0
111.08096	3.0
117.01858	3.4
117.07044	2.4
119.08583	15.0
121.06528	3.1
121.10132	10.9
123.08064	20.3
123.11677	1.6
125.09632	8.0
127.03922	34.1
129.01851	1.9
131.08611	7.8
133.10132	15.0
135.08063	11.0
135.11682	7.9
137.09625	4.8
139.07468	1.3
141.09116	4.8
143.08553	1.2
145.04950	16.9
145.10112	9.5
147.11771	5.7
149.09610	2.6
149.13301	1.8
151.07544	53.3
151.11136	5.4
153.09109	2.1
155.08725	1.3
157.10165	2.8
159.02882	11.2
159.11696	10.4
161.09659	2.1
161.13251	4.2
163.11192	3.2
163.14879	2.2
169.08615	3.5
173.09628	4.4
173.13307	4.9
177.12764	2.5
177.16344	1.6
187.09671	1.9
187.14835	18.0
191.14330	3.6
194.08238	1.3
197.13319	3.5
205.15877	16.6
213.03998	3.3
215.14316	15.7
231.05019	4.9
233.15369	63.3
248.07710	1.3
251.16423	100.0
252.16855	1.9
319.22568	1.3
534.21466	1.5
534.30029	2.0
534.71619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06952	0.3
56.05026	0.6
56.62111	0.3
58.06608	0.5
60.07871	0.4
60.08163	7.5
69.16958	1.6
71.07381	2.6
86.09708	30.2
96.76181	0.3
98.23453	0.7
98.98466	3.1
104.10744	4.4
104.94999	0.3
112.94203	0.3
125.00004	22.3
130.94717	0.3
132.29393	0.3
137.05986	0.9
143.01047	0.3
183.12975	0.3
184.07344	100.0
185.07700	0.5
516.27478	0.5
533.40240	2.3
534.28271	6.7
534.40509	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	9.8
55.05510	18.7
57.03437	8.5
60.03506	7.5
67.05504	45.2
69.03419	23.1
69.07063	20.5
69.95164	6.4
73.02933	14.0
79.05479	36.9
81.03407	20.8
81.07063	80.9
85.02898	53.3
85.06572	9.3
87.00842	21.5
91.05476	42.2
93.07036	84.3
95.04996	11.0
95.08601	94.6
97.02901	14.8
99.72652	6.9
105.01862	35.4
105.04515	8.4
105.07037	95.6
107.08583	100.0
109.02863	16.2
109.10159	52.7
117.07036	13.0
119.08577	98.1
121.10132	54.8
123.11710	15.8
127.03914	38.8
131.08582	31.3
133.10089	44.0
135.11678	46.1
145.04941	13.2
145.10126	59.5
147.11696	33.1
149.13287	9.4
151.11198	16.7
159.11684	75.8
161.13257	16.9
173.13234	41.6
175.14799	16.3
177.16559	7.7
183.90262	7.3
187.14836	7.7
189.16397	61.7
215.17923	99.0
226.03448	7.4
233.19077	33.0
264.42401	8.6
301.21490	10.4
302.34796	9.2
319.22681	32.2
337.23697	14.6
438.37585	8.4
452.58670	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	534.3189
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
58.06616	0.4
59.40810	0.2
60.08165	6.6
65.65282	0.1
67.05499	0.5
69.07072	0.3
70.16210	0.2
71.07373	3.0
77.67754	0.1
79.05495	0.6
81.07053	0.5
82.07361	0.2
85.02918	0.4
86.09705	30.2
91.05484	0.4
93.07043	0.6
95.08606	0.5
98.98471	3.3
104.10745	4.0
104.11449	0.2
105.07033	0.6
107.04930	0.2
107.08581	0.4
109.02882	0.2
115.06954	0.1
119.08582	0.4
121.10217	0.2
125.00001	20.3
127.03942	0.2
131.08598	0.3
133.10097	0.2
140.43169	0.1
145.10181	0.3
146.10452	0.2
159.11905	0.2
175.14839	0.2
184.07338	100.0
185.07669	0.4
187.14722	0.2
195.11781	0.2
206.24657	0.2
258.10992	0.2
268.21393	0.2
286.22369	0.3
396.39941	0.1
516.30981	1.5
534.32007	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77221	0.3
55.05505	0.5
56.05028	0.9
57.03435	0.4
58.06603	0.8
60.08163	10.2
67.05492	0.7
69.94196	0.8
71.07370	4.9
79.05480	0.4
81.07038	0.8
86.09702	39.1
91.05481	0.9
93.07037	0.8
95.08606	0.6
98.98466	3.5
104.10741	38.7
105.07072	0.4
105.11035	0.3
124.99998	25.8
127.66946	0.3
155.39531	0.3
169.58720	0.3
184.07333	100.0
185.07695	0.8
189.39772	0.2
258.10992	0.6
446.80606	0.3
508.21970	0.3
516.30902	4.0
534.31909	15.2
535.31903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46154	0.2
56.05027	0.7
57.54057	0.2
58.06612	0.6
60.08160	8.0
64.38725	0.2
67.05495	0.7
69.07063	0.3
69.35983	0.9
70.06606	0.2
71.07372	3.6
79.05469	0.3
81.03374	0.2
81.07035	0.4
83.08633	0.2
86.09702	33.7
93.07032	0.4
95.04971	0.3
95.08630	0.2
98.98460	3.4
104.10738	12.3
105.07069	0.3
109.10184	0.3
123.83041	0.2
124.99998	23.1
137.36816	0.2
143.01038	0.2
151.11121	0.2
184.07332	100.0
185.07671	0.6
382.36981	0.2
516.30597	1.2
534.31885	10.0
535.31775	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55626	0.2
52.69820	0.1
55.05507	0.3
56.05045	0.4
58.06347	0.2
58.06618	0.5
60.08166	6.3
66.31168	0.2
67.05505	0.5
68.99825	0.2
69.03445	0.2
69.07059	0.4
69.33984	0.2
69.79110	0.4
69.79452	0.2
71.07378	2.9
79.05495	0.8
81.03417	0.4
81.07054	0.9
81.43900	0.2
82.03773	0.2
85.02917	0.3
86.09709	28.8
87.10040	0.3
91.05482	0.3
93.07037	0.6
95.08619	0.7
97.02896	0.2
98.23411	0.2
98.98471	2.5
99.04453	0.2
104.10081	0.4
104.10739	3.5
104.11384	0.3
105.07044	0.7
106.07371	0.2
107.08601	0.6
109.02906	0.4
109.10140	0.3
117.07025	0.2
119.08585	0.8
120.08940	0.3
121.10184	0.3
125.00007	19.5
125.05994	0.2
127.03915	0.6
129.01886	0.2
131.08539	0.3
133.10149	0.4
134.10515	0.2
145.10115	0.4
146.10420	0.3
147.11665	0.4
148.12032	0.2
149.13255	0.2
159.11664	0.3
160.12015	0.2
161.13304	0.2
176.15204	0.3
184.07344	100.0
185.07733	1.3
186.07858	0.3
203.14340	0.2
204.14777	0.3
219.17375	0.2
258.11108	0.2
285.22058	0.4
286.22482	1.2
295.59113	0.2
422.42883	0.2
467.85172	0.2
498.29892	0.9
516.30902	5.2
534.27649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25055	0.2
56.05038	0.4
58.06636	0.5
60.08167	6.3
67.05500	0.2
71.07377	2.7
71.22353	0.2
86.09709	29.0
93.07042	0.3
95.08595	0.2
98.98478	2.7
104.10744	2.9
105.07059	0.2
125.00005	20.1
137.80522	0.2
184.07344	100.0
185.07664	0.6
258.11041	0.2
498.29761	0.6
516.30841	6.0
517.31049	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	534.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42329	0.6
56.05029	1.4
58.06590	1.1
60.07879	0.8
60.08167	13.7
67.05486	1.4
69.07053	1.0
70.06559	1.1
71.07384	5.3
79.05491	0.6
81.03400	1.1
81.07059	1.2
86.09708	48.9
95.04955	1.5
98.98466	2.8
104.10744	67.3
109.10165	0.7
116.42500	0.6
117.35262	0.6
125.00013	25.9
145.81445	0.6
184.07344	100.0
258.11111	0.8
384.60852	0.7
516.31097	3.7
534.31879	32.7
535.31830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.6
57.03410	2.7
57.98459	3.4
67.05497	8.7
69.03424	7.9
69.58213	10.3
70.06605	3.2
79.05484	9.3
81.07053	24.3
83.04974	4.7
83.08611	3.3
85.02903	24.8
91.05495	6.9
93.07043	18.2
95.04990	3.4
95.08605	25.3
97.02847	3.7
97.06538	3.6
102.22697	2.8
105.07036	30.3
107.08588	27.8
109.10165	17.0
111.08012	2.9
116.78837	2.8
117.07018	5.7
119.08578	20.5
121.06539	5.9
121.10142	16.9
123.11702	6.4
125.09617	4.9
127.03878	3.7
129.07004	6.0
131.08559	25.3
133.10136	18.9
133.43289	2.4
135.11694	7.2
137.09612	3.1
143.08540	12.1
145.04968	5.1
145.10091	23.2
147.11699	20.6
149.09605	4.8
149.13252	5.0
151.11276	3.9
155.08598	4.6
156.66666	2.6
157.10141	17.1
159.11714	16.1
161.09639	6.3
161.13252	10.3
163.11185	5.8
167.10614	2.7
169.10152	14.2
171.11703	13.7
173.13268	7.7
175.11238	6.3
177.12727	3.6
181.10123	4.7
182.56677	2.9
183.11673	11.8
185.13297	11.1
187.14760	5.6
189.12885	4.7
195.11646	4.9
197.13277	11.3
199.14807	12.1
201.12709	3.8
209.13150	3.4
211.14859	4.3
213.16138	3.7
215.17903	4.9
223.14832	6.5
225.16371	11.9
229.66492	3.3
239.17976	7.4
241.19576	7.9
243.17427	10.7
243.21153	3.8
253.19464	10.4
255.21115	18.3
257.18948	5.1
259.20575	3.4
261.18497	7.6
265.19540	15.1
271.20575	15.2
273.22049	7.9
283.20578	70.9
289.21555	19.1
291.23013	3.4
301.21606	82.5
303.01602	3.3
309.21555	2.9
317.98471	2.9
319.22662	100.0
337.23663	11.5
355.24857	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01858	1.2
55.05515	7.1
56.76196	1.3
57.03423	2.0
57.07070	4.0
58.94023	1.4
59.72474	1.0
61.02928	2.5
61.23382	1.1
67.05505	8.6
68.69441	1.1
69.03424	3.6
69.07066	9.4
69.43122	2.4
69.43482	5.2
71.04990	3.3
79.05497	16.1
81.03412	1.9
81.07058	48.0
83.08627	7.5
85.02911	10.7
85.06541	2.7
87.00822	1.4
91.05477	7.6
93.07040	18.9
95.04956	2.1
95.08030	1.4
95.08610	20.9
97.02867	2.6
97.06521	4.4
97.10159	2.6
99.08061	2.0
100.11237	5.9
105.07045	18.5
107.04993	2.1
107.08604	28.7
109.06503	3.3
109.10152	18.6
111.11709	1.6
115.07616	2.4
117.07057	1.5
119.08585	15.0
121.10155	18.6
123.11740	8.1
125.05978	16.5
125.09589	1.6
127.03923	4.0
131.08566	9.4
131.34799	1.4
133.10117	14.0
135.11699	8.8
137.05998	3.1
137.13193	1.4
143.08592	3.4
143.10664	5.5
145.04929	1.8
145.09023	0.7
145.10136	20.8
147.11691	13.6
149.13258	12.3
151.07491	1.3
157.10110	4.5
157.21718	1.2
159.11719	9.0
161.09616	3.3
161.13295	6.6
161.50934	1.2
163.14796	4.0
168.81076	1.2
171.11691	4.5
173.13268	10.2
175.11150	1.4
175.14839	4.7
177.09100	1.8
177.12772	1.4
177.16373	2.6
180.08696	1.5
182.15379	5.2
183.11522	1.2
185.13281	4.9
187.14821	3.2
189.16367	1.8
195.48857	1.5
199.11214	1.3
199.14821	8.1
201.16359	1.4
203.14232	6.7
203.17921	4.7
209.16458	1.9
213.16383	3.6
219.13812	6.1
221.15361	12.8
227.17828	2.9
229.19569	1.7
233.15323	2.3
251.16393	2.3
255.21069	16.5
273.22070	5.2
283.20511	5.5
289.21506	2.1
291.23190	11.6
301.21622	24.1
309.21652	1.3
319.22678	100.0
320.22974	4.7
331.26410	1.4
337.19849	1.8
337.23734	26.5
355.24628	1.6
484.90549	1.4
534.40320	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	534.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05022	0.4
58.06342	0.3
58.06599	0.4
60.08167	6.5
66.20568	0.2
67.05502	0.9
69.07062	0.3
71.07374	2.8
71.12257	0.3
81.07047	1.0
81.29704	0.2
83.08626	0.3
86.09709	27.7
87.10030	0.2
88.07619	0.5
88.11253	0.3
91.05467	0.3
93.07041	0.3
95.04891	0.2
95.08591	0.6
98.98463	2.8
104.10761	3.0
121.10138	0.3
125.00005	19.5
162.95583	0.3
184.07346	100.0
185.07710	0.4
198.08832	0.4
258.11060	0.3
308.62857	0.3
375.91653	0.2
475.22238	0.3
516.34491	1.2
534.35748	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	24.0
55.12731	2.0
57.03441	7.3
57.07082	13.7
60.08173	4.2
61.02927	6.4
65.03939	3.9
67.05508	85.6
69.03429	2.7
69.07073	30.1
70.74273	2.3
71.07396	3.4
71.08640	7.9
79.05497	21.9
81.07057	100.0
83.05030	2.0
83.08626	24.4
85.02930	4.4
85.06577	4.6
85.10198	2.8
86.09705	18.6
88.12466	1.9
88.34382	1.7
91.03958	3.3
91.05482	18.2
93.07054	27.3
95.08602	94.5
96.08919	2.3
97.02879	4.9
97.06538	7.7
97.10160	12.9
98.40785	2.3
99.08090	6.3
104.10742	83.3
105.07028	16.7
107.08578	19.5
109.06491	2.8
109.10158	46.1
111.08067	5.2
111.11747	5.3
113.09657	3.0
119.08559	11.7
121.10150	24.3
121.10983	3.4
123.11713	26.1
133.10120	16.3
135.11710	13.0
137.13237	10.9
141.12720	5.8
147.11688	15.9
149.13251	14.3
151.14835	7.1
155.14345	4.8
161.13287	11.6
163.14830	9.9
165.16399	11.1
168.04672	2.5
175.13545	1.9
175.14824	10.9
177.16348	2.8
179.17976	6.2
184.07323	3.5
189.16429	6.4
193.15962	3.5
201.99643	1.9
203.17979	2.9
245.22658	72.8
263.23718	94.5
264.24091	2.5
337.27347	70.9
338.27673	2.8
355.28445	7.7
437.91153	2.4
475.22150	27.6
534.29602	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	534.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19807	1.2
55.01867	1.7
55.05254	1.6
55.05509	20.2
55.11219	1.0
57.03442	6.2
57.07073	13.4
57.57954	1.1
61.02927	6.6
62.08359	1.0
65.03932	3.1
67.05502	84.5
69.03414	1.7
69.06705	2.1
69.07067	28.5
69.21555	4.9
69.21962	2.5
71.04994	2.5
71.08624	6.4
78.93456	1.2
79.05490	23.8
81.07054	100.0
83.08608	19.4
85.02904	4.4
85.06547	2.7
85.10175	3.3
86.09692	3.5
86.59866	1.3
91.05473	16.9
93.07045	29.8
93.07607	2.2
95.04999	1.6
95.08603	80.3
97.02886	2.7
97.06521	7.6
97.10162	13.1
98.23482	2.0
99.08078	3.9
104.10738	11.8
105.07030	12.0
107.08595	17.1
109.06511	1.2
109.10155	45.2
111.08064	3.9
111.11708	4.5
113.09644	1.6
119.08575	15.3
120.48409	1.0
121.10134	26.6
123.08100	1.7
123.11706	25.2
125.09640	2.6
125.13335	1.1
127.11205	2.1
131.08554	1.4
133.10126	20.0
135.11690	12.1
137.09650	1.9
137.13245	8.5
139.11209	1.6
141.12752	4.4
147.11684	12.2
149.13243	9.4
151.11169	2.2
151.14828	6.9
153.12732	1.5
155.14320	3.9
161.13261	16.2
163.14833	12.0
165.16388	9.5
167.14366	1.7
175.14844	10.3
177.16393	1.5
179.14430	1.3
179.17928	8.3
189.16380	5.0
211.36217	1.2
217.16049	1.0
217.19551	1.9
245.22650	64.0
247.24409	1.3
263.23688	90.0
264.24060	2.5
265.25293	3.1
281.24881	1.3
306.95514	1.2
337.27347	45.3
355.28223	4.4
475.22275	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	534.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26140	1.1
55.05513	3.3
57.07085	4.0
67.05518	11.8
69.03447	1.4
69.07066	10.8
69.19842	3.7
69.20248	4.6
70.06596	10.8
71.05000	1.8
71.08641	2.8
79.05511	7.7
81.07061	16.2
83.08624	3.7
85.10194	1.2
87.04465	2.8
88.07637	12.4
91.05497	3.0
93.07061	5.6
95.05037	1.9
95.08620	9.9
97.06538	3.2
102.09186	10.2
105.07053	6.1
106.08711	1.7
107.08600	4.0
109.10161	100.0
110.10516	1.5
115.72197	1.5
119.08605	4.7
121.10175	3.8
123.11726	4.3
125.05991	8.2
127.11201	44.1
127.29663	1.3
131.08594	2.1
133.10133	9.6
135.11731	2.0
137.09656	3.3
143.08582	1.5
145.10149	2.3
147.11771	2.7
151.68826	1.5
155.10719	6.2
161.09621	12.9
161.13307	2.6
173.11775	9.5
173.13109	1.6
175.11154	3.1
175.14960	2.3
179.10646	9.0
193.12297	2.1
197.11740	94.3
203.14357	15.3
215.12755	25.7
215.14581	1.6
219.17447	73.4
221.15413	2.5
256.26364	55.7
257.22647	1.7
263.23840	4.2
274.27420	2.7
285.22177	21.6
285.25372	1.6
309.13492	1.5
534.45282	93.0
535.45300	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.05505	0.4
63.02381	0.5
67.05489	1.2
71.45905	0.2
79.05500	2.7
81.07063	1.3
89.03920	8.9
91.05480	1.0
93.07069	1.3
95.04964	0.6
95.08603	0.8
97.06504	0.4
98.97621	0.2
105.07050	0.5
107.04956	2.9
107.08606	0.8
109.10165	0.4
117.03382	9.0
119.08552	0.7
121.10149	1.0
131.08522	0.3
133.10178	0.3
135.04417	19.7
135.11743	0.3
137.05981	0.3
141.73315	0.2
142.55934	0.2
142.71049	0.3
145.02850	14.4
145.10117	1.0
159.11673	0.3
161.13208	0.3
163.03903	100.0
164.04289	1.2
187.07568	0.3
187.14709	1.3
205.15802	0.7
213.09106	0.3
223.16837	0.3
241.08458	0.3
299.06131	0.7
325.18143	0.3
343.19022	0.7
375.70331	0.2
385.20157	0.5
535.24976	1.0
538.75793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2882
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
56.80980	0.4
70.85879	0.5
70.86219	0.5
73.04761	1.0
86.09755	0.6
89.08210	0.5
90.45229	0.5
91.05791	1.3
96.00809	0.4
96.08127	0.5
110.09684	0.6
123.08074	0.8
124.07539	0.7
124.53968	0.5
136.07581	0.7
137.06013	0.9
138.09125	0.8
145.02867	0.9
154.08707	0.7
160.03911	1.2
166.08662	2.0
167.05585	1.3
177.05492	1.4
179.14273	0.7
181.04958	0.6
201.03687	4.4
201.05267	0.6
203.05263	36.4
220.06174	0.6
240.41502	0.5
267.00131	0.5
289.15421	0.6
299.06195	2.8
317.15131	1.7
336.71674	0.6
373.13919	1.5
535.28784	100.0
536.29297	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2881
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
59.54221	0.3
60.25240	0.3
61.71568	0.3
69.81729	1.0
98.23350	0.5
104.10741	0.9
109.87074	0.3
167.05496	0.4
185.04201	0.5
191.60181	0.3
203.05270	0.7
240.25696	0.4
240.61298	0.3
259.07901	0.4
267.00171	0.3
299.06323	0.9
308.12128	0.3
321.14774	0.3
393.86267	0.3
415.03421	0.5
475.16617	0.4
535.28802	100.0
536.21136	1.1
536.29132	3.9
558.35394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	1.3
55.01871	1.5
55.05504	3.1
57.03437	2.2
57.81410	1.1
67.05491	5.8
69.03427	5.7
69.07072	2.7
69.58074	5.1
71.04990	17.6
73.04744	7.5
79.05489	8.1
81.03423	2.2
81.06646	1.4
81.07050	8.6
83.04972	1.3
83.08576	1.3
85.02907	3.6
85.06536	1.5
87.00832	2.1
89.03912	6.4
91.05428	5.0
91.05819	6.2
93.07030	8.4
95.04958	1.9
95.08590	6.3
95.09121	1.3
97.02882	2.7
97.10217	1.1
99.04453	50.1
101.05965	1.7
103.05449	2.0
105.01845	1.9
105.07030	69.7
107.04965	3.6
107.08576	5.9
109.02902	1.6
109.10166	3.1
111.08077	2.1
115.05479	1.5
117.03389	7.9
117.07014	1.2
119.04972	2.0
119.08594	6.6
121.06516	9.4
121.10143	4.7
123.08064	5.5
123.11685	3.6
125.09622	1.3
127.03917	1.7
128.06200	2.7
131.08562	3.8
133.06516	8.9
133.10133	44.6
135.04428	17.7
135.11658	4.7
137.06017	1.3
143.08588	5.8
145.02856	10.0
145.06522	2.1
145.10081	4.6
146.07253	5.3
147.11667	2.0
149.04468	3.3
151.07570	3.1
151.11182	2.5
159.11696	1.8
161.09621	100.0
161.13278	3.1
162.09886	1.9
163.03903	65.3
163.11194	18.1
164.04251	1.7
167.05565	11.8
175.14795	1.6
177.07890	1.8
179.10670	40.5
179.12247	2.1
189.09097	9.4
207.10168	4.9
217.15869	1.9
217.19518	3.3
225.04379	1.6
235.16908	1.8
239.09528	2.2
249.65378	1.3
253.18051	2.1
253.21597	1.6
266.99887	3.3
271.22678	2.8
281.05087	2.3
283.03091	2.9
295.04425	4.2
299.06186	25.9
344.97681	4.2
359.02884	1.8
369.24347	3.1
415.03516	3.5
482.76740	1.1
503.10953	1.5
518.30908	4.0
536.17340	1.3
536.25195	3.3
536.32147	6.5
537.26056	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85963	1.0
55.01864	2.8
57.52007	1.4
69.36622	5.1
70.33002	1.1
71.04975	1.1
72.47288	1.3
73.04749	5.7
75.59464	1.3
79.05492	5.6
85.02912	3.8
91.05405	11.6
94.04186	1.3
95.01320	4.1
95.04948	4.0
97.02879	1.9
103.05487	3.6
105.03365	6.8
105.04480	1.6
105.07038	5.3
106.04169	1.4
107.04950	7.3
108.02060	1.2
109.06532	5.0
111.34339	1.2
113.02375	5.0
115.05457	3.6
117.07054	2.6
118.04139	2.3
119.04951	6.6
121.02891	2.0
121.06504	4.6
123.04440	9.5
124.05238	2.6
128.06256	1.1
129.07036	1.2
131.04955	7.8
132.05707	2.5
133.02841	5.9
133.06468	8.9
134.03618	1.8
135.04417	8.9
136.05193	2.4
137.04933	2.4
137.05981	46.2
144.05724	2.0
145.02917	1.7
145.06485	5.1
146.03636	2.0
147.04407	9.0
147.08061	2.8
148.05179	2.9
149.04556	2.8
149.05997	6.2
151.03879	1.6
151.07539	4.6
152.07068	2.2
153.05447	1.7
154.08636	17.0
155.04970	1.5
157.06491	1.5
159.04449	3.3
160.05206	2.9
161.05992	14.5
162.03094	2.1
162.06758	1.5
163.03908	13.0
163.07515	3.0
164.04669	4.0
164.07007	1.5
165.05467	22.9
166.06265	1.6
167.05568	7.4
167.07047	17.8
171.04414	1.7
173.05945	8.9
174.03143	2.4
174.06754	2.1
175.03911	5.1
175.07600	1.6
176.04712	3.7
177.05487	16.0
178.06253	8.0
179.03333	1.5
179.06970	5.8
180.04205	2.2
181.04955	10.2
181.08499	1.3
187.03928	5.3
187.07518	2.1
189.05484	8.0
190.06206	2.6
191.03427	1.3
191.07033	11.3
192.04308	1.3
193.04959	8.3
193.08615	5.3
194.05779	2.2
195.06522	14.0
200.04659	1.8
201.05473	5.0
202.06258	2.7
203.03439	2.5
203.07057	6.5
204.04259	1.8
205.05008	6.5
206.05754	1.7
207.06522	19.2
208.07327	3.3
209.08070	4.4
215.03339	2.4
215.07013	2.8
217.04976	12.3
219.06506	10.9
220.07315	3.0
221.08128	3.9
224.06812	2.7
229.04942	2.6
230.05811	3.0
231.06525	4.1
233.04433	3.7
233.08096	3.2
235.06038	4.2
237.07542	3.7
239.09158	100.0
245.04517	1.9
247.05960	1.4
248.06963	1.3
249.07660	2.9
259.05981	1.8
261.07608	2.4
266.99966	2.7
270.11325	1.7
275.09174	1.4
277.07117	1.5
283.03040	3.9
283.08197	4.1
287.05627	2.2
289.07068	2.6
291.05002	1.6
299.06171	18.3
303.08545	1.3
321.06146	1.9
321.09653	17.6
323.03970	2.1
323.07626	26.4
323.11240	4.1
329.12387	1.8
333.06042	12.3
335.07593	5.3
344.97586	2.6
351.07178	6.4
355.10202	4.7
357.11685	1.7
365.08661	46.6
369.08209	10.4
374.15814	1.6
383.09741	67.3
384.10492	66.2
385.11041	2.7
415.03558	3.9
459.13107	1.8
486.13712	4.9
487.12366	21.0
504.14954	21.3
518.16388	5.1
519.15088	2.4
535.27869	1.1
536.17346	19.1
536.23785	1.5
537.21777	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	536.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
57.03440	2.1
63.02404	1.7
69.03427	2.5
73.04760	11.3
76.58980	1.3
79.05493	4.4
79.85672	1.2
82.42302	1.3
85.02902	2.6
91.05431	6.3
91.05820	10.0
93.03446	1.1
93.07066	1.5
95.01346	5.3
95.04946	3.1
97.02879	1.4
103.05465	2.5
105.03394	5.1
105.07025	3.6
106.04201	1.3
107.04954	4.1
109.06496	7.9
113.02354	4.2
115.05505	2.4
117.07060	2.1
118.04169	2.1
118.49503	1.3
119.04972	5.6
121.02833	1.7
121.06497	7.4
123.04437	3.5
124.05222	1.4
129.06929	1.5
131.04909	3.2
131.34009	1.2
133.02856	4.8
133.04089	1.2
133.06531	2.9
134.03638	2.1
135.04393	7.6
136.05170	1.3
137.05988	37.6
143.04906	1.8
145.06477	4.0
146.03587	1.8
147.04404	10.7
147.08057	2.9
148.05244	3.2
149.04631	2.9
149.05988	7.7
150.03217	1.6
150.06709	1.6
151.03853	1.6
151.07564	4.6
154.08620	2.3
159.04367	3.8
159.08049	1.5
160.05194	2.2
161.05936	7.8
163.03894	9.7
164.04640	3.8
165.05486	27.6
166.06284	3.7
167.05573	18.3
167.07033	7.2
171.04401	2.3
172.05273	1.8
173.06018	4.6
174.03101	1.3
175.03941	5.0
175.07593	3.7
176.04710	3.8
177.05478	18.2
178.06261	3.4
179.07045	6.0
181.04993	2.6
181.08621	2.5
182.09412	4.9
187.03954	4.2
187.07596	1.4
188.04622	2.1
189.05438	9.5
190.02649	2.7
190.06323	2.5
191.07037	10.7
193.04939	9.4
194.05762	2.4
195.06560	6.9
197.08073	2.4
199.04128	1.7
201.05464	3.7
202.06277	2.4
203.03452	2.8
203.06952	6.8
205.04990	8.0
206.05736	1.8
207.06487	18.5
208.07300	4.1
209.08138	1.9
215.03430	1.8
215.07050	2.9
216.04115	1.6
217.04988	14.3
218.05734	1.5
219.06520	6.5
220.07373	2.1
221.04482	2.3
221.08084	3.8
225.04370	2.5
229.04968	2.1
230.05699	3.4
231.06593	4.6
232.07430	1.6
233.04512	5.1
233.08112	3.7
235.06042	5.2
239.09172	27.8
243.06468	3.1
243.28990	1.2
245.04419	3.2
247.05896	2.1
248.06918	1.6
249.07660	3.7
258.05243	1.4
259.06073	3.0
261.03799	1.6
261.07596	3.6
266.99991	5.5
269.08298	1.5
270.82358	1.2
275.09195	2.4
283.03052	3.5
287.05545	1.9
289.07132	4.6
291.05096	2.1
299.06168	35.6
315.71793	1.6
321.09717	25.1
323.07596	30.3
325.09268	1.4
333.06085	19.1
335.07700	7.5
337.09277	1.7
344.97604	6.6
351.06949	8.3
355.10251	14.9
357.11951	4.4
359.03030	1.9
365.08624	39.5
369.08212	12.8
383.09729	100.0
384.10388	14.3
415.03879	7.1
444.12891	2.6
459.12827	7.0
486.14185	2.9
487.12350	11.2
503.10843	3.9
504.15103	21.7
518.16565	15.5
519.15253	7.7
536.17493	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	536.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42042	0.9
55.01870	1.0
66.01299	0.9
67.05482	1.6
71.04989	3.8
71.47611	1.1
73.04758	4.3
77.48960	0.9
78.58391	0.9
79.05487	4.7
81.07047	4.0
85.02922	1.0
88.98831	1.0
89.03925	7.0
89.07724	1.0
91.05902	6.4
92.73570	1.0
93.07037	3.3
95.04984	1.8
95.08598	4.9
96.85149	0.9
99.04458	8.6
105.07036	53.8
107.04990	1.7
107.08606	3.3
109.06552	1.3
109.10128	1.3
117.03383	9.3
119.08590	3.4
121.06525	1.4
121.10117	1.5
123.08073	4.8
123.11700	2.2
131.08557	3.1
133.06468	2.1
133.10135	36.8
135.04427	21.2
135.11668	1.8
145.02855	13.8
145.10126	4.5
147.04430	3.2
149.04536	1.7
151.07584	1.6
155.93863	1.0
159.07948	1.2
161.09631	25.2
163.03912	100.0
163.11188	18.3
164.04305	2.0
167.05595	9.9
179.10677	34.5
189.09120	5.1
207.10181	2.0
225.04332	2.3
239.09534	2.1
253.17926	1.3
266.99930	2.1
283.03058	3.6
293.10187	2.9
295.04419	2.4
299.06146	20.8
311.11053	1.2
321.09677	2.1
344.97598	4.0
351.91855	1.2
359.02893	1.5
397.23410	1.1
415.03662	3.6
503.10654	1.8
518.31744	1.5
536.32373	7.0
537.26154	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93547	1.9
53.03945	2.7
55.01863	2.2
69.03445	4.1
69.07085	1.9
71.46187	2.4
71.81155	1.9
73.02936	2.0
73.04765	14.9
81.07056	4.9
85.02911	4.9
91.05825	14.8
93.01771	2.2
93.03291	2.0
93.07087	2.0
99.04448	3.6
105.07045	6.0
109.10163	2.2
112.50990	2.1
119.08559	2.2
121.10168	2.5
127.03926	3.2
133.10147	2.6
149.04535	5.0
151.03914	12.8
151.05003	3.1
154.90788	2.0
161.09618	4.9
161.13266	3.2
163.03918	7.0
167.05544	20.7
179.10675	2.5
184.07460	2.1
190.07823	4.8
202.07727	2.1
213.71474	2.1
218.07317	9.2
219.08032	6.3
225.44612	2.2
230.07297	2.6
233.09650	8.7
234.06697	2.7
235.16928	2.4
239.09529	2.2
246.06732	5.1
247.07608	8.0
249.09200	2.6
259.07504	6.6
261.09143	54.2
262.09869	3.9
266.99960	5.2
274.06262	7.6
281.11713	4.2
283.02921	5.2
289.08597	67.5
290.09308	6.7
291.10190	10.9
299.06168	44.0
307.09857	5.1
312.14359	2.3
321.11203	35.7
323.12915	3.2
339.12335	12.4
344.97601	8.9
359.02768	3.2
363.24002	2.1
415.03418	10.1
441.27167	2.2
469.15192	15.5
501.17587	100.0
502.17624	4.4
503.10428	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	536.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	1.2
69.03432	3.4
69.52303	2.9
70.06582	1.1
73.04760	4.3
75.51259	0.7
75.88779	0.8
85.02906	3.6
85.20321	0.8
87.04462	2.3
91.05369	1.3
91.05803	4.7
97.02877	4.0
101.35735	0.8
105.07042	8.2
107.08598	2.0
109.06511	1.7
115.03923	3.8
117.06950	0.9
119.08594	11.4
121.10181	1.9
121.76057	0.8
123.08086	1.1
123.11696	1.7
127.03897	1.4
130.07799	2.1
131.08560	2.9
133.04996	4.7
133.06514	5.0
133.10176	1.1
134.57384	0.8
144.09364	0.8
145.04915	0.9
145.10130	18.7
147.08034	2.0
147.11696	22.1
149.04462	1.3
149.09618	3.7
156.09326	4.2
159.11681	1.1
161.09554	0.9
161.72139	0.8
167.05598	5.1
167.10681	3.6
171.11638	5.1
174.10413	1.8
187.37047	0.8
189.12746	100.0
190.13124	1.1
207.13811	26.7
225.04372	1.5
239.09372	1.3
281.05298	1.2
283.03024	2.0
295.10269	3.2
299.06171	16.0
303.16238	0.9
321.17081	2.5
323.00027	0.8
344.97586	3.9
359.02798	1.4
415.03711	2.4
503.10376	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91012	0.5
55.05501	1.0
57.03428	2.7
57.07078	1.9
59.05009	3.9
60.04522	0.5
67.05502	0.7
69.03429	9.1
69.07074	1.1
69.65862	1.1
71.01363	0.5
71.04996	4.3
73.04755	2.5
79.05489	1.1
81.03447	0.6
81.07059	2.9
83.04980	7.4
83.08624	2.1
83.51452	0.5
85.02898	6.3
85.06503	0.6
86.09686	0.6
87.04462	4.5
91.05829	2.9
93.07047	1.7
95.04977	0.8
95.08607	4.0
97.02893	8.2
97.06530	7.3
99.04438	3.8
99.08085	4.4
105.07043	1.0
107.04971	0.4
107.08588	1.3
109.06512	11.8
109.10178	1.3
115.03925	6.3
119.08579	2.8
121.06527	0.6
121.10139	14.8
123.08065	100.0
124.08402	1.3
125.05987	6.0
125.09612	0.9
127.03984	0.9
127.07538	4.1
131.08537	0.7
133.04964	5.0
133.10072	0.8
135.11696	12.3
137.05957	0.8
137.09602	3.4
137.13248	16.0
145.10130	0.6
147.04405	0.5
147.11652	0.8
149.04488	0.7
149.09612	1.9
150.07620	0.8
151.07529	1.8
155.10660	2.4
161.13210	2.2
163.07442	0.6
165.12708	0.8
167.05580	4.1
168.19481	0.4
169.08595	1.1
179.14302	98.6
180.14729	1.1
189.12732	2.0
203.05275	0.6
207.13792	16.2
224.13724	0.7
225.04337	0.8
225.14859	28.9
239.09393	0.8
266.99924	1.1
281.04944	0.7
283.02945	1.4
294.99579	0.5
299.06146	7.8
344.97650	1.3
415.03491	1.3
536.16833	0.7
536.28503	1.9
541.65387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	1.9
57.03431	9.8
57.07060	2.2
58.70841	1.6
59.05002	3.6
67.05492	4.0
69.03427	28.8
69.07059	6.3
70.47051	2.4
71.04996	1.9
79.05504	3.6
81.07054	18.2
83.08609	2.2
85.02909	23.9
85.06536	4.2
87.04468	20.1
91.05477	3.8
93.07069	3.6
95.04980	7.9
95.08598	9.5
97.02896	25.2
97.06520	10.7
99.04465	3.5
103.36705	2.0
105.07027	11.1
107.08596	35.0
109.06516	21.2
109.10156	6.0
111.11749	3.5
115.03927	30.7
118.70552	1.8
119.08549	6.4
121.10115	15.9
123.08046	28.8
123.11724	4.5
125.09616	6.8
127.03916	3.8
131.08580	4.5
133.04965	25.2
137.09671	3.3
137.13258	6.2
139.11232	2.5
145.04965	3.7
145.10110	2.3
147.11679	21.8
149.09621	22.9
150.07600	4.6
151.07521	16.4
163.11165	2.2
165.12753	31.2
167.10684	13.1
171.11681	5.5
179.14294	15.8
183.13803	15.7
189.12756	14.7
207.13794	100.0
208.14168	2.2
225.14867	27.1
249.14659	2.6
259.04947	2.4
416.70493	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.2
57.03433	3.1
57.07065	1.3
67.05492	2.0
69.03427	12.6
79.05472	2.0
81.07059	9.4
83.04953	0.6
85.02905	42.9
86.98587	0.6
87.04468	7.6
91.05485	3.7
93.07024	1.9
95.08588	2.4
97.02892	9.4
105.07020	9.0
107.08601	2.5
109.06510	2.2
109.10156	5.0
115.03928	9.5
117.06999	1.7
119.08578	12.4
121.10152	3.9
123.08060	1.0
123.11709	43.3
125.05974	2.9
125.09637	1.1
129.06978	0.8
130.07796	1.4
131.08539	3.7
133.04979	8.8
133.06479	3.8
133.10176	0.8
137.09586	0.6
137.73012	0.6
143.08557	1.3
145.04919	1.1
145.10123	14.0
147.08017	1.5
147.11690	21.7
149.09639	4.0
151.07521	1.3
156.09364	3.8
159.08057	0.8
160.08867	0.8
161.09627	1.2
161.13245	1.0
165.12672	0.8
167.10634	0.6
169.08720	0.6
171.11697	3.5
174.10388	1.7
189.12744	100.0
190.13065	1.5
207.13802	44.1
208.14154	0.8
225.14861	16.8
295.10184	1.8
321.16998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30317	0.2
55.05511	0.3
56.05027	0.6
57.03429	0.4
58.06609	0.5
59.07414	0.2
60.08165	7.4
67.05500	0.5
69.07057	0.3
69.25529	1.0
71.07374	3.6
73.04762	0.4
76.63059	0.2
79.05497	0.2
81.07058	0.4
86.09706	34.4
91.05801	0.4
93.07037	0.3
95.08605	0.4
98.98472	3.3
104.10739	6.2
109.10099	0.2
125.00002	22.8
142.66228	0.2
143.01064	0.2
167.05557	0.5
184.07339	100.0
185.07680	0.7
200.27534	0.2
239.09692	0.2
258.10992	0.6
269.82602	0.2
299.06183	1.7
335.25787	0.5
344.97476	0.3
518.32367	2.9
536.33472	12.4
537.31879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.2
56.05034	0.4
57.03436	0.3
58.06348	0.3
58.06616	0.6
59.07387	0.2
60.08159	6.8
67.05501	1.0
69.07055	0.2
71.07371	3.5
73.04762	0.9
76.23794	0.2
79.05482	0.5
81.07053	0.9
83.08635	0.2
86.09701	32.4
87.10029	0.4
91.05850	1.2
93.07060	0.4
95.08601	0.8
98.98457	3.5
104.10735	14.2
105.07034	0.2
121.52435	0.1
124.99995	20.8
135.11713	0.2
146.18791	0.2
149.04459	0.3
167.05495	1.4
184.07329	100.0
185.07681	1.3
186.07797	0.4
219.66273	0.2
225.04393	0.4
239.09431	0.3
258.11136	0.2
266.99847	0.4
283.02942	0.5
299.02988	0.3
299.06149	3.9
300.06033	0.2
305.10712	0.2
344.97568	0.6
351.25266	0.3
353.33484	0.2
359.03040	0.2
415.03604	0.5
495.17023	0.2
500.31458	1.5
503.10745	0.2
518.32404	10.8
519.32404	0.4
536.32611	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05030	0.6
58.06611	0.5
60.08162	5.8
67.05508	0.4
69.68259	0.5
69.68610	0.5
69.86006	0.2
71.07375	2.6
73.04756	0.9
79.05482	0.2
81.07047	0.6
81.57504	0.2
86.09705	27.2
87.10033	0.4
91.05799	0.8
95.08633	0.3
98.98471	2.8
104.10737	2.7
125.00001	18.2
167.05516	1.1
184.07338	100.0
185.07706	1.2
186.07793	0.8
225.04303	0.4
281.04996	0.2
283.03134	0.5
299.06232	2.3
329.64600	0.2
344.97601	0.5
353.00925	0.2
415.03732	0.4
500.30933	0.9
503.10693	0.3
518.32471	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	536.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.8
58.06361	0.2
58.06614	0.3
60.08165	6.4
62.23795	0.2
67.05508	0.8
68.13391	0.2
69.32706	1.0
70.06604	0.2
71.07376	3.1
73.04763	0.4
79.05494	0.4
81.07070	0.7
86.09708	29.4
87.10085	0.2
88.85295	0.2
91.05804	0.3
93.07039	0.4
95.08591	0.6
98.98463	2.7
102.12287	0.2
104.10747	8.1
125.00005	20.5
132.69687	0.2
133.23892	0.2
184.07343	100.0
185.07657	0.6
220.27702	0.2
225.04263	0.2
249.68550	0.2
266.99820	0.2
299.06155	1.0
328.15399	0.2
500.31326	1.2
518.32422	7.8
519.32489	0.3
527.96814	0.2
536.32684	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.6
56.05025	0.8
58.06585	0.7
60.07913	0.5
60.08163	6.6
62.31757	0.4
67.05505	0.7
71.07365	2.7
73.04740	1.9
81.07029	0.5
86.09703	33.5
91.05804	3.8
95.08594	0.7
98.98488	2.8
101.66030	0.5
104.10739	14.9
114.27438	0.5
125.00000	20.7
149.04436	0.9
167.05533	4.7
184.07333	100.0
185.07573	0.5
222.27414	0.5
225.04274	1.2
239.09517	1.1
266.99915	1.3
281.05167	0.8
283.02957	1.0
299.06155	8.7
300.06284	1.1
310.18207	0.6
324.35675	0.5
344.97662	1.9
359.02890	0.7
415.03500	1.8
486.16727	0.7
503.10342	0.6
504.31183	0.5
515.32654	0.5
518.32495	2.8
526.19714	0.7
536.33459	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	536.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46458	0.4
55.05526	2.2
56.05044	1.1
57.07064	0.7
58.06600	1.5
59.07364	0.5
60.07875	0.9
60.08167	17.8
67.05489	1.7
69.07061	2.7
71.07385	5.7
71.08627	0.6
73.04756	1.2
79.05502	0.9
81.07051	2.0
83.08636	2.4
84.66216	0.5
86.09710	48.6
91.05769	2.0
93.07037	1.1
95.08606	1.4
97.06514	0.5
97.10165	1.0
98.01789	0.5
98.98486	4.1
99.19519	0.5
104.10748	89.4
105.11038	0.6
107.08558	0.5
109.10173	0.7
118.73560	0.5
121.10138	1.5
125.00008	27.8
135.11702	0.8
143.34679	0.4
160.90933	0.4
163.01508	0.9
167.05508	2.4
184.07347	100.0
185.07683	1.0
186.32439	0.5
194.81615	0.5
217.67429	0.5
225.04167	0.9
239.09521	0.7
258.11093	1.4
265.25269	0.7
266.99841	0.5
283.02979	0.9
299.06113	5.7
339.28787	0.7
344.97604	0.8
353.30240	0.8
359.02936	0.7
392.25052	0.8
415.03583	1.0
451.62936	0.6
518.36066	7.3
519.36719	0.5
536.37164	34.6
537.37640	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	536.3715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17666	0.2
55.05506	0.3
56.05034	0.5
56.30039	0.1
57.03435	0.3
58.06639	0.5
60.08165	5.6
67.05499	0.4
67.89350	0.1
69.07082	0.3
69.39803	0.4
69.40194	0.4
71.07375	3.0
72.78050	0.2
73.04759	0.5
81.07054	0.3
83.08591	0.2
86.09708	26.2
91.05794	0.4
95.08603	0.3
98.98459	2.5
104.10737	2.8
109.10159	0.2
125.00005	19.1
131.45775	0.2
138.18968	0.1
167.05554	0.4
184.07343	100.0
185.07721	1.0
215.17358	0.1
267.00073	0.2
283.02881	0.2
299.06094	1.0
344.97339	0.2
353.30234	0.2
394.42603	0.2
415.03455	0.3
518.36035	1.0
536.29352	0.2
536.37115	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	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	27.5
57.03446	6.6
57.07065	17.0
57.78955	4.3
67.05502	40.8
69.07066	42.6
71.04974	3.9
71.08619	8.5
73.04742	18.3
77.13827	3.6
79.05486	16.2
81.07053	51.5
83.08617	38.8
83.56418	4.0
85.02896	7.2
85.06535	6.0
85.10181	6.9
91.05803	25.4
93.07039	28.0
95.08602	52.8
97.06519	10.1
97.10159	28.5
101.15608	4.0
104.10741	12.6
107.08595	24.1
109.10164	27.5
111.08054	5.2
121.10122	40.7
123.11694	9.9
135.11693	37.7
137.13177	7.3
149.04523	6.7
149.13301	12.2
167.05522	28.4
184.07355	12.4
225.04312	8.8
247.24274	41.4
265.25262	100.0
266.99954	11.1
283.03018	10.4
283.26221	22.2
299.06165	58.9
300.06122	4.2
312.36499	4.5
339.28928	99.3
344.97723	7.5
357.29962	39.9
415.03491	11.2
503.10745	5.9
536.36914	6.1
537.24982	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	536.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	2.2
55.05513	37.0
57.03433	4.6
57.07082	20.4
60.08156	2.1
61.02920	7.5
67.05162	2.7
67.05508	41.3
67.98952	1.3
69.03432	2.3
69.07071	55.6
69.07451	2.8
69.82182	2.5
69.82542	2.6
71.04985	2.6
71.07379	1.5
71.08632	11.2
73.02901	1.4
75.04482	2.9
79.05499	17.7
81.07060	49.4
83.04982	2.0
83.08622	44.0
83.47065	1.3
85.02900	5.2
85.06552	2.1
85.10168	6.6
86.09724	11.8
91.03959	2.0
91.05484	2.3
93.07053	26.1
95.04984	2.3
95.08022	2.9
95.08610	49.7
95.09220	2.8
97.02905	2.0
97.06536	8.0
97.09601	2.2
97.10177	26.4
99.08113	2.2
104.10743	10.2
107.08603	20.5
109.10158	23.8
111.08080	7.2
111.11720	9.6
121.09281	2.0
121.10155	42.1
123.11739	8.7
125.00025	9.4
125.09629	3.7
125.13371	1.7
127.67068	1.3
135.11693	31.6
135.51639	1.2
137.13257	3.3
139.11237	2.0
149.13243	12.1
151.14815	4.0
153.12723	3.7
163.14821	6.1
165.16402	3.7
177.16441	3.0
184.07346	25.9
185.15381	2.6
191.17896	2.6
205.19490	1.7
247.24196	40.8
265.25272	100.0
266.25589	3.2
269.29193	1.4
283.26355	18.2
299.06192	3.2
339.28937	97.0
340.29132	3.0
357.29987	33.3
396.31738	1.4
495.59961	1.4
501.33902	4.2
536.37219	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	536.416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59138	0.3
55.05509	1.8
56.05035	0.7
57.03428	1.1
57.07071	1.6
60.08168	6.7
67.05497	2.1
69.07075	2.2
69.68787	1.1
69.69141	0.4
71.07384	3.2
71.08613	1.0
73.04747	1.2
79.05495	0.8
81.07056	2.6
83.08620	2.0
85.10201	0.6
86.09707	31.6
91.05817	1.9
93.07043	1.1
95.08612	2.4
97.06528	0.4
97.10168	0.8
98.23417	0.6
98.98468	2.8
104.10748	3.2
107.08553	0.3
109.10162	1.3
111.11760	0.4
121.10155	1.7
123.11726	0.6
125.00002	20.1
125.09624	0.4
133.65344	0.3
135.11662	1.4
149.04532	0.7
149.13208	0.6
167.05560	2.3
177.16446	0.3
178.91043	0.3
184.07339	100.0
185.07726	1.1
225.04228	0.4
228.25011	0.3
239.09576	0.4
267.00073	0.4
283.02991	0.5
299.06174	4.9
344.97504	1.0
359.02716	0.4
371.31613	1.7
409.33047	1.4
415.03461	0.7
427.34070	1.8
483.36896	1.9
501.37894	6.1
503.10489	0.4
518.35846	0.9
536.37164	2.7
536.44727	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62917	1.8
55.05513	19.2
57.03454	9.0
57.07078	18.9
58.06605	2.1
60.08169	13.4
67.05508	19.1
69.07075	32.1
69.49102	3.0
69.49436	6.1
71.07364	4.1
71.08627	13.8
73.04761	4.0
79.05500	8.9
81.07056	30.2
83.04969	2.3
83.08617	26.0
85.10191	8.6
86.09708	41.6
91.05835	9.7
93.07053	11.3
95.08609	30.1
97.06527	7.3
97.10164	16.7
98.98478	5.3
101.06015	2.2
103.26366	1.8
104.10743	85.7
105.07038	2.9
107.08589	11.7
109.10163	15.4
111.08085	5.4
111.11710	5.2
114.44355	1.7
121.10152	12.4
123.11705	9.0
125.00016	22.8
125.09624	3.7
125.13287	2.3
135.11653	12.4
137.13298	3.2
139.11172	3.2
149.04446	3.3
149.13271	4.3
153.12791	2.8
163.14888	3.4
167.05563	10.5
167.14355	2.1
177.16362	2.8
181.15845	2.2
184.07346	99.9
225.04263	2.9
247.47046	1.8
260.32413	1.7
266.99905	3.2
283.03113	3.8
299.06183	26.2
317.28528	4.3
323.27661	2.4
335.29523	3.3
344.97659	4.2
371.31653	21.1
409.33087	29.5
427.34164	27.6
472.68875	1.9
483.36823	11.8
501.37891	100.0
502.38223	4.4
503.10977	2.7
518.35858	6.7
536.33990	37.2
537.37567	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	537.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.3
57.03438	0.5
63.75253	0.3
69.03417	1.2
69.65621	1.0
71.04984	0.3
72.08154	0.4
73.04754	0.8
79.05481	1.5
81.07042	1.1
82.69164	0.3
85.02888	1.0
85.06520	0.3
86.09696	0.7
87.04460	0.6
89.03918	7.5
91.05788	0.9
93.07059	0.3
95.04966	0.6
95.08588	0.3
97.02902	1.5
105.07021	0.5
107.04965	2.1
107.08586	1.3
109.06509	0.7
111.11745	0.3
115.03926	0.8
117.03379	7.6
119.08627	0.5
120.08080	0.4
121.09283	0.3
121.10126	0.6
123.08081	1.2
123.11694	0.4
125.09652	0.4
127.03918	0.3
131.08575	0.3
133.04984	1.0
134.03644	0.6
134.42314	0.3
135.04414	16.5
137.06018	0.3
145.02847	10.9
147.04256	0.3
147.11682	0.6
149.09610	1.3
151.07553	0.7
153.01797	0.3
162.03122	8.5
163.03902	100.0
164.04269	1.1
165.12717	1.2
166.13150	0.5
167.05562	0.8
167.10728	0.7
168.05615	0.3
179.14299	0.5
180.14548	0.4
183.13841	0.5
189.12743	1.0
190.13115	0.4
207.13788	3.5
208.02469	0.4
208.14165	1.2
225.14841	0.8
295.04520	0.6
299.06146	1.6
300.06284	1.3
309.95038	0.4
345.97574	0.4
373.56833	0.3
416.03683	0.5
536.28583	0.4
537.27820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2467
Annotation	Saucerneol D
Peak:m/z	Relative Intensity
71.33418	3.4
73.04745	10.1
81.07068	4.5
81.74853	3.6
85.02909	4.5
91.05791	12.4
98.23534	7.2
98.97621	3.3
121.10132	2.9
125.47443	3.7
138.39172	3.2
167.05540	15.6
168.05473	5.2
207.10236	3.1
266.99796	3.2
283.03137	5.5
284.03085	3.3
299.06183	21.6
300.06290	19.7
344.97833	3.9
345.97647	5.1
375.21411	11.3
416.03754	4.0
529.24231	3.9
537.24780	100.0
539.67719	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	537.2469
Annotation	Saucerneol B
Peak:m/z	Relative Intensity
55.01888	2.4
55.05508	5.9
56.96568	3.3
58.18034	2.9
67.05494	3.2
69.03437	2.9
69.07082	8.4
69.87904	5.9
69.88293	5.1
70.96957	2.2
73.04739	7.2
79.05515	2.9
81.07054	7.9
83.08617	4.1
85.02902	5.7
91.05802	11.1
93.07060	5.9
95.08639	7.1
97.10164	6.8
98.22736	3.4
98.97590	9.1
107.08629	2.5
109.02876	2.6
109.76901	2.3
119.08574	3.0
121.10155	4.1
127.03939	4.4
147.11676	2.8
149.04538	3.8
163.03946	7.6
167.05551	8.5
197.64154	2.4
207.81679	2.6
209.13599	2.6
235.20560	8.5
253.21684	9.8
259.97427	2.2
271.22763	6.0
299.06241	8.6
300.06375	15.1
301.06042	2.6
345.97351	3.3
375.21683	12.5
393.19397	3.9
416.03928	4.6
488.24991	3.2
537.24713	100.0
555.24573	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	537.3037
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
51.96812	0.3
69.77682	0.8
69.78069	0.7
120.39448	0.3
185.04439	0.4
203.05342	0.8
233.34302	0.4
235.83693	0.3
239.85143	0.4
281.52310	0.4
281.79297	0.3
321.72607	0.4
399.63428	0.4
489.78006	0.5
501.23328	0.4
537.30359	100.0
538.30695	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88227	0.1
67.05495	0.1
70.07222	0.1
70.42029	0.1
71.45245	0.1
73.04749	0.1
86.09697	0.1
91.05817	0.2
95.03099	0.1
109.10155	0.1
125.00043	0.1
133.03503	0.1
150.72202	0.1
167.05560	0.2
184.07405	0.2
185.04231	0.4
193.86929	0.1
203.05269	0.9
259.07883	0.4
299.06207	0.2
300.06305	0.2
301.20270	0.2
338.68958	0.1
375.25095	0.2
419.27673	0.1
457.16714	0.1
504.10358	0.1
537.30316	100.0
538.30664	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	537.306
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	14.1
55.01884	12.5
55.05508	17.3
57.03436	8.9
57.07068	5.4
61.02931	7.6
61.58471	1.8
67.05502	19.6
68.99799	6.6
69.03431	57.6
69.07064	43.4
69.80255	7.2
71.04989	7.3
73.02907	15.9
73.04761	6.0
74.05054	2.4
79.05485	14.5
81.03422	56.3
81.07056	59.3
83.01364	2.5
83.04990	6.2
83.08619	16.2
83.59557	2.2
85.02904	100.0
85.06544	2.1
87.00830	40.5
91.03965	4.1
91.05486	10.5
91.05928	2.9
93.07049	30.2
95.04943	4.8
95.08604	56.5
97.02883	39.1
97.10187	6.3
99.04462	24.7
100.07574	2.4
100.11262	13.9
105.01881	25.5
105.07037	34.1
107.08587	46.3
107.09256	3.8
109.02879	60.2
109.06488	2.2
109.10159	43.6
111.04467	4.8
111.11734	9.9
115.03933	2.7
117.01858	9.7
117.07008	3.1
119.08576	37.9
121.10146	31.8
123.11703	21.8
127.03921	74.0
127.04856	3.9
129.01857	9.3
131.08551	11.2
133.10133	25.7
135.08078	2.3
135.11691	19.0
137.13266	5.1
143.08606	3.8
145.04965	31.3
145.10107	19.6
147.02885	6.5
147.06505	2.7
147.07922	2.4
147.11681	30.4
149.04408	3.3
149.13246	38.0
151.14790	3.1
154.87790	2.7
157.10156	5.2
159.02895	33.7
159.11707	19.7
161.13240	28.6
163.14821	51.3
167.05579	11.7
168.13901	3.2
171.11725	6.0
173.13239	21.5
175.14818	20.5
177.16388	14.7
179.14334	3.9
182.15427	6.2
183.11720	3.2
185.13348	3.8
187.14763	15.0
189.16328	14.7
191.17929	4.4
195.11783	2.2
196.13463	2.2
197.13284	2.7
199.14867	6.2
201.03934	2.7
201.16393	13.5
203.17992	7.8
207.17517	4.6
210.14943	5.8
213.03976	3.8
213.16344	5.7
215.17920	19.2
217.19496	5.8
219.17111	2.4
227.17682	3.6
229.19579	9.0
231.04933	16.7
233.06581	2.4
243.21092	3.0
257.22675	4.9
269.22638	15.5
271.24176	69.0
273.25705	19.2
287.23730	2.9
289.25232	35.2
299.06198	13.0
299.23718	8.1
300.06238	12.6
301.05930	4.2
331.72861	2.4
345.97577	3.4
379.26169	3.1
415.28632	2.9
450.94000	2.3
483.27341	5.3
501.28439	9.1
504.10944	2.6
519.29901	4.7
536.90625	2.7
537.24139	10.8
537.31812	6.2
537.39917	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64306	0.6
55.01864	1.5
55.05507	1.5
65.03937	0.7
67.03948	0.5
69.03414	0.8
69.36279	2.0
69.36679	1.2
72.76548	0.6
73.04762	1.1
73.78745	0.5
74.26988	0.6
77.09531	0.5
79.05495	2.0
81.07047	1.8
83.08602	1.5
84.04492	1.1
85.02911	2.5
86.09690	1.0
91.05469	1.9
93.07080	0.7
94.04182	2.4
95.04975	1.0
95.08612	0.8
97.02888	0.6
100.07597	0.6
100.11263	6.6
100.64945	0.6
103.05437	1.8
105.07031	5.3
107.04980	0.9
109.06534	2.8
109.10195	0.7
111.04436	1.2
114.09140	2.1
115.05453	3.5
117.07017	1.3
119.04946	0.8
119.08582	1.9
121.06487	1.3
121.10137	0.6
122.03645	5.2
123.11725	0.8
128.06215	1.1
129.07025	2.0
131.04945	1.2
132.05713	1.4
133.06511	5.1
133.10088	0.8
137.05977	100.0
138.06345	0.6
142.08618	1.1
143.04921	2.1
145.04977	0.8
145.06491	1.5
146.03618	0.7
147.04382	1.2
147.08046	2.1
149.04700	0.6
149.05995	2.2
151.07526	1.0
154.12259	1.5
155.04990	1.0
157.06473	1.3
159.08025	2.7
160.05211	3.5
161.05969	13.0
163.03915	0.7
163.07527	1.3
167.05667	1.2
167.07024	0.9
168.13802	0.7
172.05229	0.9
174.06786	0.9
175.07542	36.5
179.07079	1.2
182.15442	1.8
187.07544	16.4
188.07999	0.7
189.07059	0.7
189.09105	2.6
190.07761	2.6
191.08553	10.1
196.13358	0.7
199.07544	5.7
202.07774	1.8
203.08508	3.0
205.08624	3.5
208.08844	0.9
209.16588	1.3
210.14848	2.7
217.08592	1.0
218.07228	1.9
219.08037	13.1
220.08818	2.2
227.17632	0.6
231.08051	4.2
235.07513	1.1
235.09695	3.7
236.08315	1.7
237.09077	0.6
247.07498	6.1
248.08321	1.9
249.09010	0.8
251.10675	23.8
252.11055	0.8
253.08507	1.1
253.12431	0.6
259.07501	3.4
261.09067	1.6
263.10654	1.9
264.07889	1.8
270.09009	0.8
276.07819	1.5
277.08606	1.6
279.10172	19.3
280.10837	1.5
281.08118	1.4
281.11456	0.8
285.03036	0.6
285.11414	0.6
291.10141	5.7
292.10901	1.5
293.11664	0.5
296.10410	1.8
297.11194	1.1
299.06219	2.3
300.06104	0.7
301.05911	1.4
311.12753	47.5
312.13074	0.9
313.14310	3.6
318.76471	0.6
323.12790	8.3
325.14108	0.8
341.09918	0.8
341.13831	5.6
346.97543	1.0
397.31702	0.8
465.69342	0.7
507.35342	0.8
512.21606	0.6
538.44122	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	538.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86527	1.0
55.01866	1.7
55.05516	1.6
59.26463	1.0
61.02920	1.7
61.53107	1.1
69.03426	3.6
69.62486	2.4
69.62875	3.2
73.04773	1.1
73.59544	1.0
79.05487	1.4
79.35506	0.9
81.03424	2.1
85.02906	13.3
88.75932	1.0
91.05431	2.0
91.05898	1.2
94.04181	4.4
95.04998	1.4
97.02897	3.7
100.11243	3.7
103.05476	5.5
105.07027	3.0
107.04958	2.2
109.06553	3.0
115.05463	2.5
117.07053	1.6
119.08578	3.8
122.03660	4.1
127.03893	1.9
128.06267	1.3
129.06938	2.3
131.04922	9.3
132.05777	2.3
133.06483	3.7
135.08032	1.1
137.05975	100.0
138.06300	1.9
140.46297	1.0
145.04889	1.5
145.06505	1.3
147.08040	5.3
149.05969	1.8
157.06548	1.4
160.05159	2.6
161.05998	12.2
163.07539	17.7
167.05582	1.8
167.06990	1.3
167.63695	1.2
175.07549	60.3
179.06985	1.5
184.07240	1.1
187.07506	6.0
191.08482	3.3
193.08583	2.4
199.07544	7.1
201.09320	1.1
203.08585	3.8
218.07159	1.4
219.08070	7.9
220.08731	1.8
231.08109	5.8
232.08749	1.9
234.06766	1.2
236.08282	1.6
247.07526	4.4
248.08383	2.6
251.10646	11.0
259.07477	3.8
260.08264	1.8
263.10748	4.3
276.07837	1.4
277.08664	1.5
279.10196	8.4
291.10162	11.1
292.10840	2.0
296.10345	1.7
299.06088	2.8
300.06100	1.7
301.05896	4.3
311.12778	28.8
312.13153	1.5
323.12805	20.2
325.14374	3.0
341.13757	3.2
377.62445	1.2
378.87860	1.0
396.56674	1.2
537.40106	2.8
538.40613	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	538.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33443	0.6
55.01857	1.2
55.05502	1.1
56.05024	1.9
57.03436	0.9
61.01140	1.3
61.02917	2.0
69.03436	4.2
69.88000	0.7
70.05425	2.0
70.06587	0.8
71.04987	1.0
72.93723	0.6
73.04736	0.7
73.42967	0.7
79.05482	2.0
81.03418	2.3
81.07047	1.3
81.63732	0.7
83.08584	0.8
84.04469	0.8
85.02900	12.0
86.09696	1.6
91.05470	5.0
91.20016	0.6
93.07062	0.9
94.04185	1.7
95.04949	0.8
97.02901	3.7
98.23368	0.7
99.04415	1.0
100.11258	1.4
103.05458	8.2
104.05320	6.0
105.03377	0.6
105.07040	4.7
107.04947	2.6
109.02869	1.6
109.06525	0.9
109.10143	0.6
115.05448	3.4
117.07027	2.3
119.04942	1.0
119.08561	5.3
120.08100	1.4
121.06506	1.4
122.03647	6.5
127.03893	3.1
128.06227	1.9
129.06972	3.9
131.04933	15.7
132.05708	3.9
133.06497	4.5
137.05974	100.0
138.06256	1.2
139.07538	1.7
141.07103	0.8
143.04967	1.0
145.04938	1.5
145.06485	2.2
146.03693	0.9
147.04405	1.0
147.08035	7.1
149.05994	1.0
149.07425	2.1
157.06462	2.0
157.30765	0.9
159.08070	1.5
160.05197	4.6
161.05974	9.0
163.03934	1.2
163.07544	24.6
166.08675	2.0
167.06999	2.1
169.06506	1.7
171.08067	0.8
172.05171	0.8
175.07545	78.5
176.07867	0.8
177.85960	0.9
180.98985	0.9
187.07561	6.6
190.07805	1.2
191.08527	3.2
193.08546	6.2
199.07526	5.8
201.09143	1.4
202.07751	1.6
203.08511	3.4
210.14757	1.0
215.08510	0.7
217.08548	0.9
219.08087	5.6
220.08824	2.0
231.08069	5.8
233.09537	0.9
243.07803	0.7
247.07555	3.4
248.08289	2.0
251.10689	8.6
259.07510	2.6
260.08301	1.5
260.10660	3.3
263.10693	2.6
264.07788	1.0
265.08636	0.9
276.07678	1.1
277.08679	1.4
279.10095	6.4
280.10782	1.2
281.08167	1.1
290.26868	0.9
291.10141	6.8
292.10913	1.8
296.10495	1.0
299.06482	1.0
301.05865	0.9
308.10370	1.2
309.11221	2.1
311.12772	24.6
323.08975	1.1
323.12769	17.8
325.14407	5.8
341.13794	3.7
506.19382	1.0
538.26825	2.6
538.39954	1.6
539.27490	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01864	9.7
67.05508	1.5
69.07075	1.4
69.13175	7.9
73.04776	3.4
79.05477	3.7
81.07052	2.6
91.05482	6.6
91.05903	2.1
93.07059	9.8
95.04986	3.6
95.08574	2.0
98.23553	2.6
103.05480	11.3
105.01870	1.8
105.07060	7.3
107.31916	1.7
118.04187	1.9
121.06513	17.5
121.10156	3.7
131.04927	4.8
133.06531	7.4
134.03630	6.5
135.11647	2.7
145.02849	3.3
147.04379	1.8
148.05228	3.9
149.05975	39.2
161.06023	9.9
163.07504	3.4
167.05582	4.3
176.04706	3.4
177.05461	19.0
181.08592	26.2
191.07028	27.7
193.08620	7.9
209.08092	100.0
210.08440	1.7
245.01024	1.7
251.09151	83.3
299.06226	6.3
301.05972	5.5
309.24478	1.8
321.65277	1.7
411.14063	1.7
443.17172	3.1
476.85889	1.7
538.25848	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	538.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.9
61.17781	0.9
67.05506	3.4
67.52842	0.9
69.07068	3.0
69.37271	2.2
69.37682	3.0
70.06603	3.5
71.05004	1.0
73.04758	1.4
79.05537	1.8
81.07059	5.3
83.08591	1.5
87.98918	1.1
89.30948	1.0
91.05440	11.7
93.07040	2.3
95.08603	5.7
97.10179	1.6
105.06990	1.7
107.08606	2.1
109.10162	2.9
119.04950	27.0
119.08593	1.3
121.10168	1.1
123.11726	1.8
133.10159	2.2
135.04460	0.9
145.02890	1.0
147.04413	100.0
148.04755	1.5
162.09932	1.5
163.03903	2.1
164.04277	2.3
166.08618	1.1
167.05563	1.8
168.05588	1.1
186.45876	1.0
189.16428	1.9
224.20108	23.5
242.21114	6.0
260.22287	1.4
279.05032	1.7
283.07452	1.0
285.34814	0.9
299.06183	2.7
301.06061	3.1
303.37296	1.0
356.20514	1.4
374.21722	14.3
388.24774	1.9
392.22778	32.6
402.59457	1.1
497.55408	1.0
520.25525	5.8
527.60803	1.1
538.26471	18.0
542.76904	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89539	1.7
52.43704	1.7
53.03944	1.8
55.05520	9.1
57.03432	11.6
57.07077	5.3
59.05010	3.1
67.05497	8.9
69.03429	42.3
69.07072	8.5
70.06618	2.9
70.08607	3.8
71.04995	4.8
71.36811	1.6
73.04758	2.1
75.79498	1.9
79.05481	9.0
80.59756	1.8
81.03424	2.3
81.07056	23.1
83.04983	30.5
83.08624	7.0
85.02908	27.8
85.06544	6.3
86.09705	2.0
87.04465	19.7
91.05481	6.3
93.07044	22.4
95.04353	2.4
95.04969	44.7
95.08602	14.5
97.02898	32.9
97.03494	3.0
97.06525	9.2
98.23496	2.1
99.04472	7.3
105.07032	22.1
107.08589	32.4
109.06523	35.0
109.10152	30.3
111.08101	7.4
111.63517	1.8
112.67805	1.8
113.09647	2.2
115.03931	30.9
115.07578	3.6
117.07068	2.8
119.08573	15.9
121.06535	2.8
121.10154	29.1
123.08083	7.2
123.11694	11.9
125.06060	1.8
125.09605	10.1
127.03969	4.0
131.08591	14.0
133.04973	32.2
133.10126	49.7
135.08057	10.4
135.11684	16.0
137.09622	1.9
137.13243	1.8
138.94406	1.6
139.11195	11.7
141.09077	1.9
143.08508	2.9
145.04967	4.2
145.10133	7.5
147.11703	11.4
149.13245	24.6
150.07616	3.2
151.11192	8.6
152.14389	3.1
153.09117	19.4
158.10953	4.4
163.11211	2.4
163.14833	7.5
167.05540	3.7
167.14342	12.2
170.03954	1.9
171.11678	2.2
173.13266	43.8
175.05986	2.4
175.14876	3.9
181.15909	2.8
189.12712	2.1
190.13155	2.5
191.14322	61.6
209.15370	100.0
210.15552	2.4
227.12843	2.7
227.16418	20.9
264.64670	1.7
299.06204	3.4
301.06113	5.2
305.17319	2.1
323.18530	2.1
341.19577	3.7
353.19724	4.1
417.03400	1.9
539.17169	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	538.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	4.4
57.03444	2.4
60.31104	1.9
64.37877	2.2
67.54671	2.2
68.86098	2.5
69.03427	23.2
69.07086	5.7
70.06599	13.7
73.04769	2.7
79.05497	5.4
83.04970	2.8
85.02912	10.2
85.49123	2.2
86.09682	5.5
87.04478	5.8
89.03999	2.5
91.05489	8.9
93.07116	2.3
95.04977	2.9
95.08656	4.4
97.02889	11.6
105.07034	46.1
107.08585	15.6
109.06505	2.6
111.08061	3.1
115.03947	7.9
116.07041	3.0
117.03413	6.1
117.07044	4.7
119.08581	79.1
121.06496	2.7
121.10124	5.5
123.08065	3.6
123.11772	3.1
125.09595	2.7
131.08575	8.5
133.04976	6.3
133.06456	3.1
133.10153	6.3
134.39682	2.1
135.04420	17.6
135.08087	6.0
135.11691	3.2
136.04776	4.6
136.07570	3.4
137.88364	2.0
139.03990	3.2
142.45451	2.2
145.02902	7.7
145.10150	8.8
146.03198	3.4
147.11681	96.5
148.12225	2.6
149.09621	5.9
149.13281	2.8
158.10858	2.7
162.03253	2.9
163.03903	60.1
164.04266	25.1
165.12816	4.8
167.05544	4.7
173.13261	27.8
191.14308	100.0
192.14522	2.7
209.15404	13.6
213.12369	5.2
221.03075	4.1
299.06113	7.4
301.06061	7.3
305.17276	3.6
323.18628	2.8
335.03802	2.7
346.97668	2.9
396.91766	2.3
485.23813	3.2
506.71899	2.4
564.40009	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.0
55.05512	9.8
57.03443	4.7
57.07071	1.3
58.06600	6.0
65.86772	0.7
67.05160	1.4
67.05505	21.2
69.07066	12.5
69.09746	1.4
69.10146	4.9
73.04755	1.1
79.05498	6.0
81.07056	22.8
83.08614	7.2
85.33019	0.8
86.06065	23.5
86.09734	1.2
91.05488	3.5
93.07034	6.1
95.08600	14.4
97.06465	1.2
97.10166	3.2
104.07096	2.3
105.07028	2.6
107.08604	4.0
109.10143	5.8
119.08591	2.9
121.10138	2.8
123.11690	2.2
125.09594	0.9
127.10997	0.8
133.10121	2.1
135.11723	2.7
137.13260	0.8
147.11771	2.0
152.10692	0.8
167.05556	1.8
184.03702	2.8
214.12144	0.8
221.73990	0.8
236.92198	0.8
263.23651	1.2
299.06058	2.5
300.06320	1.3
301.05872	1.4
337.27356	100.0
338.27740	2.6
346.97113	1.1
348.28891	1.0
538.24652	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3503
Annotation	1-O-Palmitoyl-2-O-acetyl-sn-glycero-3-phosphorylcholine
Peak:m/z	Relative Intensity
55.05510	0.2
56.05026	0.6
56.94145	0.2
57.03432	0.4
58.06610	0.5
60.08162	7.1
67.05492	0.7
69.07055	0.2
70.27498	0.3
71.07368	3.5
79.05496	0.3
81.07044	0.6
86.09703	35.2
87.10018	0.3
95.08600	0.7
98.98462	3.4
103.88017	0.2
104.10742	5.0
106.59949	0.2
124.99048	0.4
124.99999	23.4
184.07333	100.0
185.07652	1.0
258.11044	0.5
300.06369	0.2
301.06039	0.2
305.31406	0.2
335.25815	1.0
417.03757	0.2
492.45813	0.2
520.33954	2.4
538.23273	1.8
538.35077	11.6
539.35315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05016	0.5
58.06607	0.6
60.08167	6.1
62.84892	0.3
67.05499	0.5
69.07054	0.6
70.31032	0.3
70.31338	0.6
71.07377	2.8
73.04743	0.5
81.07063	0.7
86.09711	28.7
91.05777	0.8
95.08585	0.5
98.23303	0.5
98.98463	3.1
103.08114	0.3
104.10737	4.4
125.00005	18.3
162.79787	0.4
166.07854	0.3
167.05585	0.9
184.07346	100.0
185.07675	0.4
228.23247	2.0
269.77145	0.4
274.62766	0.4
299.06113	1.4
300.06177	0.6
301.05951	1.6
357.47452	0.4
417.03519	0.6
467.50818	0.4
502.33188	0.9
520.26599	0.7
520.34039	7.7
538.34637	0.7
562.52112	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85496	0.4
55.05508	0.7
58.33268	0.5
59.79786	0.5
60.08167	6.1
61.11762	0.5
67.05499	2.0
67.10044	0.5
68.05830	0.5
68.95351	0.5
69.07038	0.8
71.07378	3.2
71.08633	0.6
71.46682	0.5
81.07039	1.8
83.08604	0.7
86.02504	0.5
86.09710	31.4
87.10024	0.8
91.03678	0.5
91.05836	0.9
93.07026	0.9
93.54066	0.6
95.08595	0.9
98.98452	2.4
104.10748	11.7
107.08582	0.9
109.06496	0.8
109.10141	1.2
125.00005	20.3
146.98177	1.3
184.07346	100.0
185.07661	2.2
186.07741	0.9
199.54723	0.6
299.06097	1.6
300.06277	0.6
301.05942	1.9
479.21698	3.5
520.33331	1.6
538.35236	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	538.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85496	0.4
55.05508	0.7
58.33268	0.5
59.79786	0.5
60.08167	6.1
61.11762	0.5
67.05499	2.0
67.10044	0.5
68.05830	0.5
68.95351	0.5
69.07038	0.8
71.07378	3.2
71.08633	0.6
71.46682	0.5
81.07039	1.8
83.08604	0.7
86.02504	0.5
86.09710	31.4
87.10024	0.8
91.03678	0.5
91.05836	0.9
93.07026	0.9
93.54066	0.6
95.08595	0.9
98.98452	2.4
104.10748	11.7
107.08582	0.9
109.06496	0.8
109.10141	1.2
125.00005	20.3
146.98177	1.3
184.07346	100.0
185.07661	2.2
186.07741	0.9
199.54723	0.6
299.06097	1.6
300.06277	0.6
301.05942	1.9
479.21698	3.5
520.33331	1.6
538.35236	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	538.3874
Annotation	1-nonadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05477	0.7
56.05028	1.6
57.03433	0.6
57.07078	3.0
58.06585	1.2
60.07872	1.0
60.08166	18.8
60.55875	0.5
65.21669	0.5
67.05496	1.3
69.07083	0.7
69.24350	2.6
71.07380	5.9
71.08623	2.2
72.63554	0.5
79.48994	0.5
80.01210	0.5
81.07057	1.0
85.10173	0.9
86.09710	50.4
91.05789	0.6
92.05756	0.6
95.08562	0.8
96.02617	0.5
98.98463	4.9
104.10746	95.4
109.10123	0.8
120.04568	0.6
125.00011	29.1
159.65192	0.6
184.07349	100.0
185.07651	0.7
191.21194	0.6
258.11124	0.7
299.06198	1.1
301.05945	0.8
321.16962	0.7
355.32230	1.9
520.37531	8.6
538.38715	38.9
539.38507	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1979
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
50.41315	1.4
54.44275	1.5
55.01886	3.0
55.05516	1.5
61.02944	2.3
61.06326	1.6
67.05509	3.7
69.03432	4.8
70.19593	3.7
70.19949	2.7
71.05019	1.8
72.81133	1.6
79.05499	17.8
80.35461	1.3
81.03422	3.0
81.07066	12.3
83.04992	3.0
83.08685	1.5
85.02904	21.9
89.61329	1.4
91.05472	3.1
93.07047	3.1
95.04971	13.5
95.08636	5.8
97.02909	9.7
98.22643	1.6
99.04444	1.7
103.05457	3.6
105.07030	14.2
107.04967	10.7
109.02904	5.7
109.06524	26.2
111.08092	30.5
115.05498	2.2
121.06522	6.1
123.04465	2.7
123.08070	5.1
127.03924	53.3
133.06505	10.8
135.04430	5.1
135.08055	1.7
137.05992	12.5
145.04979	9.4
151.03891	13.1
151.07556	17.8
153.05475	25.4
155.07076	2.4
161.05997	3.4
163.03963	1.8
163.06024	3.8
167.07080	1.7
179.07047	68.0
191.07133	2.9
197.08110	100.0
209.15477	2.6
215.09174	38.9
223.04063	2.2
371.16785	1.8
539.15948	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	539.2656
Annotation	Okaramine P
Peak:m/z	Relative Intensity
54.93343	0.4
69.09721	1.4
69.10148	1.3
89.06071	0.4
139.53099	0.4
232.48235	0.4
240.81760	0.4
242.28833	0.4
363.15961	0.9
377.17758	1.5
378.18451	1.7
379.19205	1.4
391.18997	2.0
392.19940	2.7
393.20734	6.5
394.21591	0.5
405.20712	0.8
406.21552	1.1
407.22266	8.9
421.17017	0.9
421.23914	4.8
422.17432	1.4
423.18204	2.7
433.20236	0.7
435.18445	0.7
436.18918	1.6
437.19748	7.3
438.20398	1.3
448.22601	0.7
450.20456	0.4
451.21274	13.4
452.21735	1.3
465.22910	2.6
466.23416	2.1
477.26746	3.2
479.24564	0.8
493.25726	0.6
494.26932	0.7
495.20721	0.7
495.27502	6.1
503.24500	1.4
509.22061	0.5
510.22531	3.6
521.25537	1.8
524.23907	1.1
539.26538	100.0
539.40375	3.1
540.26801	4.9
540.53864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	0.2
74.54465	0.1
81.07015	0.2
93.58002	0.1
100.39455	0.1
101.18401	0.1
104.10811	0.2
111.56070	0.1
161.83282	0.1
183.11490	0.1
185.04234	0.5
203.05263	0.9
222.47507	0.1
259.07959	0.5
265.14694	0.2
300.76355	0.1
539.31885	100.0
540.32233	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	539.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72862	0.2
69.88375	0.7
71.54520	0.2
74.65739	0.2
86.09711	0.6
98.23421	0.3
104.10726	0.5
107.94928	0.2
115.65314	0.2
137.41812	0.3
184.07367	0.8
185.04222	0.4
203.05292	1.3
259.07962	0.7
271.27295	0.3
538.82281	0.5
539.31940	100.0
540.32239	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	539.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38118	0.1
53.01022	0.1
57.03906	0.1
69.45234	0.4
69.45620	0.3
77.41974	0.1
94.39911	0.2
112.74365	0.2
185.04256	0.4
199.16147	0.2
221.50171	0.1
321.22531	0.2
539.31934	100.0
540.32184	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	539.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65773	0.5
57.07064	0.8
57.63147	0.6
67.05479	1.0
69.07044	0.9
79.05481	1.1
81.07030	0.8
93.07030	0.8
95.08589	1.1
105.07016	0.8
109.10141	1.0
111.04330	0.5
133.08525	0.8
133.10170	0.6
143.41516	0.5
145.10091	0.7
173.11461	0.6
193.11996	93.2
194.12306	1.8
201.72046	0.6
206.46013	0.5
226.93903	0.6
234.14662	1.2
237.10974	50.4
238.11406	1.1
272.07993	0.5
342.96298	0.7
396.27289	0.6
539.33398	100.0
540.33594	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	539.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	5.8
55.05508	6.6
56.70385	2.0
57.07074	2.6
61.01151	14.7
67.05507	11.7
69.07067	4.3
71.46481	1.4
72.04515	25.7
78.03786	20.2
79.05489	14.9
81.07070	13.7
83.08604	1.9
85.06528	2.7
88.02213	2.8
89.06018	4.0
91.05483	4.7
93.07030	15.8
95.04955	2.5
95.08624	10.2
99.05587	2.7
102.03754	33.0
103.02184	2.3
105.07014	6.2
107.08575	8.5
109.10172	4.4
114.03757	10.0
119.08553	4.7
120.04779	5.0
120.51079	1.4
121.10196	8.2
121.10873	1.5
124.07582	2.8
131.06357	14.6
131.08566	3.6
132.04759	17.5
133.10123	3.5
135.11671	4.4
142.08604	8.8
145.10143	3.6
149.07436	61.7
159.05872	2.1
159.11699	3.4
161.13303	2.1
173.13252	2.5
175.15018	1.6
176.17029	1.7
179.14365	1.7
184.09712	3.1
199.14758	2.1
213.47702	1.6
256.26291	2.4
261.12640	8.6
290.24890	2.8
314.24704	4.9
315.23166	7.0
332.25827	23.2
409.28796	100.0
410.29221	3.4
521.34070	47.5
521.40765	1.8
540.53180	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	540.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.5
53.03950	0.7
55.01874	2.3
58.55556	0.3
65.03939	3.0
67.04266	0.4
67.05493	0.7
70.00972	1.2
70.06580	1.6
72.08169	0.4
75.04484	4.1
77.03924	1.0
78.04710	2.9
79.05481	1.7
81.07064	0.5
85.02913	3.0
86.09701	0.4
89.03925	1.6
89.06033	1.6
91.05480	12.9
91.06061	0.6
93.02869	0.7
93.03413	10.2
93.07049	5.6
95.04970	5.5
97.06535	2.6
98.51926	0.3
103.05470	5.6
105.03428	0.8
105.04504	1.6
105.06989	1.1
105.71260	0.3
106.04174	30.1
107.05003	2.9
109.06516	1.1
111.04445	0.8
117.03382	1.0
119.04939	0.9
121.06507	29.4
122.03701	0.4
122.07304	0.7
123.04430	1.6
123.08055	1.1
124.05204	0.9
125.05994	7.8
131.04982	1.9
131.05849	0.6
133.06488	0.7
134.03644	4.0
135.04405	1.4
135.08040	0.7
137.05971	3.9
138.06749	1.5
139.07573	2.6
145.02870	1.4
145.63075	0.4
147.04396	1.0
148.05161	2.3
149.05981	46.7
150.06427	0.7
151.02122	0.4
151.03920	1.0
151.07495	1.8
152.08255	0.4
153.05476	1.8
153.09099	12.4
161.05956	0.6
162.01343	0.7
162.03044	0.4
163.03941	1.4
163.07547	2.0
164.04219	0.6
165.05501	0.6
166.06252	1.2
167.07072	4.0
177.05470	23.0
178.05832	0.5
179.01628	0.3
180.07828	0.5
181.08597	17.5
182.08929	0.7
184.07249	0.4
190.00891	0.5
191.06996	2.0
193.08636	1.0
195.06610	0.6
195.25438	0.4
207.08932	0.8
209.08090	100.0
210.08414	2.1
219.10078	0.7
223.02380	0.6
223.04268	6.2
255.33186	0.4
270.10095	0.5
298.09598	0.6
312.09015	1.0
335.09241	0.6
369.13306	0.5
424.12518	0.5
437.16696	0.6
540.27655	0.7
541.22540	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	540.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.3
55.01875	1.7
57.03427	0.7
65.03944	2.4
65.78439	0.6
69.03443	1.4
69.25641	3.3
70.06593	1.2
75.04482	3.1
77.03938	0.7
78.04713	2.3
79.05499	1.4
85.02896	6.7
86.09690	0.7
89.03907	1.7
89.06028	0.9
91.05479	11.0
93.03408	10.5
93.07056	4.6
94.04235	0.6
95.04977	4.6
97.06546	2.4
103.05469	5.2
105.04538	1.5
105.07001	0.9
106.04176	24.8
107.04993	1.5
109.06537	1.3
110.61354	0.6
111.04459	0.9
115.05455	1.1
117.03368	1.3
119.04944	1.2
119.06257	0.6
120.05692	0.6
121.06508	27.8
123.04424	0.7
125.05989	7.7
126.72397	0.7
128.06264	1.0
129.07004	6.5
131.04930	2.7
131.05872	0.7
131.08589	6.3
134.03654	3.6
135.04492	1.5
137.05988	5.6
138.06720	0.9
139.07549	1.9
141.06979	4.4
143.04974	0.9
144.05698	0.9
147.04460	0.6
148.05185	1.7
149.05984	41.1
151.07556	2.8
153.05469	2.1
153.09096	11.1
157.06490	5.9
158.07285	2.6
159.08034	4.9
160.05235	1.5
161.06006	1.1
163.03940	1.5
163.07561	2.5
165.05542	0.8
166.06300	0.7
167.07014	2.9
169.06494	2.9
169.13989	0.7
174.06749	10.6
174.08084	1.0
175.07564	2.3
177.03946	1.0
177.05476	20.3
181.08604	18.5
186.06731	3.4
188.08342	0.9
189.09109	23.0
191.07050	2.5
191.10677	1.8
201.09103	8.3
207.10175	1.1
209.08090	100.0
210.08437	2.0
219.10164	98.0
220.10446	1.7
223.04295	6.6
232.34190	0.6
237.11174	1.1
274.91931	0.6
302.28818	0.8
312.08890	1.0
365.29620	0.7
381.15405	2.2
383.14880	0.9
391.17017	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78918	1.0
51.40984	1.2
55.01867	1.1
57.03417	1.5
61.02914	1.6
67.05504	1.3
69.03429	3.6
70.60326	1.6
71.04984	1.4
79.05486	6.4
81.03407	1.0
81.07048	2.5
85.02909	15.6
91.03960	1.3
91.05479	8.2
93.07047	1.8
95.04976	1.4
97.02897	7.2
97.06529	2.5
99.04443	1.3
105.01837	1.0
105.07035	3.9
107.04924	2.1
107.08595	38.7
109.06523	2.4
109.10144	2.9
111.04479	1.1
115.05460	3.5
117.07021	5.7
125.09646	5.4
127.03901	3.7
135.08054	100.0
137.05920	1.2
145.04973	7.5
147.85471	1.0
153.09135	3.1
163.07545	90.4
164.07837	1.6
181.08600	59.9
199.09666	41.1
209.15269	1.2
245.20436	1.0
325.12894	1.4
328.37350	1.2
343.13782	2.0
453.61020	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77645	0.3
53.62679	0.3
55.01863	0.4
57.03425	0.4
61.02904	0.4
69.03424	1.0
69.12491	0.8
69.12904	1.9
70.06556	0.5
75.28977	0.3
75.93508	0.3
85.02905	4.4
86.09672	0.5
91.05491	1.2
97.02881	1.0
98.22625	0.5
100.77708	0.3
103.76414	0.3
107.06348	0.3
107.08566	0.4
109.02856	0.6
115.05471	0.8
121.06532	0.5
122.03607	0.4
127.03906	1.1
128.06181	0.5
129.06992	5.5
131.04915	0.9
131.08554	6.5
135.08009	0.7
137.06012	2.9
141.06998	4.5
143.08511	0.4
144.05696	0.5
145.04939	1.0
145.06549	0.6
149.05998	0.6
157.06470	5.0
158.07301	2.4
159.08066	5.5
161.09755	0.7
163.07558	0.5
169.06441	2.8
170.07303	1.0
174.06769	12.7
175.07515	2.3
177.05397	0.4
186.06747	3.4
187.07497	0.4
188.08359	0.6
189.09100	22.0
191.07127	0.4
191.10670	1.7
201.09116	8.6
207.10172	0.7
209.08110	1.8
219.10158	100.0
220.10547	1.3
237.11143	0.6
251.22984	0.4
343.13818	0.5
477.30954	0.5
497.35242	0.4
540.28308	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60050	1.0
69.76435	2.2
69.76819	3.0
70.06585	1.3
82.92918	1.0
85.02928	2.3
86.09721	1.2
88.03615	1.0
93.07013	1.1
102.50504	1.1
115.05521	1.1
121.06510	2.0
124.99921	1.0
129.07014	4.8
131.04945	1.4
131.08559	5.0
137.05949	1.7
141.07004	3.8
149.05984	2.9
157.06476	6.3
158.07245	2.8
159.08084	4.1
169.06461	1.9
170.07234	1.9
174.06766	10.3
175.07608	2.7
177.58015	1.1
181.08652	1.1
184.07332	1.2
186.06744	2.6
189.09093	21.3
191.10646	2.6
201.09120	8.8
203.10788	1.2
209.08195	5.1
219.10161	100.0
220.10355	1.1
237.11273	1.6
357.90881	1.1
541.25806	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.7
57.07065	0.6
60.90522	0.5
67.05491	1.6
79.05105	0.5
79.05504	4.1
81.07037	0.8
86.09711	1.2
91.05476	17.6
93.07032	0.8
95.08603	1.1
102.09206	0.8
103.05481	3.3
104.06229	1.1
104.10740	1.0
105.07031	37.1
109.10163	0.8
115.05441	7.0
116.29028	0.6
118.04166	1.6
121.75600	0.6
129.97760	0.6
131.04927	1.4
132.05704	0.9
133.06490	36.6
143.04985	0.8
143.06007	3.0
146.98163	1.7
149.06006	1.0
153.33717	0.5
160.05183	1.4
161.05981	36.1
167.07048	1.1
178.06242	1.7
193.08601	100.0
194.08952	2.2
256.26355	1.0
311.29471	1.0
329.13791	11.9
335.25497	0.6
337.27332	2.9
346.73779	0.7
379.06256	0.7
481.23126	2.5
517.19537	1.5
540.31134	2.3
540.53430	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.0
55.05513	7.9
56.05029	2.4
57.03438	6.8
57.07064	0.8
65.03949	1.8
66.54361	0.7
67.05508	34.1
67.05865	2.0
69.07069	8.3
69.12910	4.8
69.13313	1.2
71.04958	1.1
71.07375	11.0
75.06539	0.7
77.25538	0.8
79.05499	15.0
79.44715	0.9
81.07060	27.6
83.08630	3.2
85.06535	1.1
86.09709	60.2
91.05470	7.1
93.07043	17.4
95.04970	1.7
95.08609	20.8
97.06503	1.0
104.10756	4.0
105.04547	1.1
105.07023	5.1
107.08597	8.3
109.06563	1.0
109.10162	8.0
119.08588	4.1
121.10158	5.3
123.11688	1.3
130.99631	0.8
131.08572	2.0
133.10095	1.8
135.11693	2.6
145.10184	1.3
146.98181	100.0
147.11739	0.9
149.13283	1.1
154.94501	0.9
159.11710	1.7
164.99231	0.9
296.35287	0.9
310.08496	0.8
334.62537	0.9
335.25815	18.4
348.23416	0.8
357.23959	11.2
481.23288	93.7
482.23749	2.0
540.30640	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.39
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95086	1.9
53.03955	2.1
55.05519	15.6
55.13629	2.0
57.03447	11.0
57.07080	18.3
59.04997	4.1
67.05508	94.1
67.05868	4.8
68.08970	2.1
69.07068	9.1
69.89555	7.3
70.06599	10.4
71.05000	5.2
71.08633	22.9
71.86756	1.8
79.05499	28.8
81.03423	4.3
81.07056	35.3
83.04985	4.9
83.08620	6.5
85.06535	3.9
85.10206	3.0
88.07639	14.0
89.06038	2.6
91.05484	21.0
93.07046	38.8
95.04967	5.8
95.08611	27.5
97.06516	4.0
97.10173	5.9
99.08100	9.0
102.09187	9.9
104.10773	2.1
105.04485	2.0
105.07035	17.8
107.04963	1.9
107.08604	20.1
109.10159	72.8
111.08069	4.0
117.07034	3.5
119.08571	14.7
121.10161	14.1
125.09644	3.5
129.07018	2.9
129.67232	2.1
131.08578	4.0
133.10133	10.9
135.11713	17.4
137.09692	3.5
145.10147	2.6
147.11736	6.7
149.13269	6.7
151.11157	5.0
155.10631	3.2
159.11711	4.0
161.13318	7.1
173.11745	15.5
175.14909	2.1
177.12781	2.6
179.14319	35.0
185.13399	2.6
189.11209	2.5
211.13428	2.6
229.14360	76.1
256.26355	35.5
259.20642	9.2
277.21631	34.3
283.26373	8.4
284.29517	5.8
311.29437	33.2
311.32584	3.3
333.24286	4.6
333.67307	2.3
351.25314	22.8
417.04932	2.4
461.71463	1.9
505.35251	100.0
506.35617	5.6
540.36743	2.5
540.53552	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.79062	0.7
55.01871	1.4
55.05513	8.1
56.10969	0.8
57.03437	3.0
57.07077	19.3
58.01086	0.7
58.06590	0.8
59.04998	1.5
59.68412	0.8
65.03946	1.0
67.05505	36.9
67.05866	1.8
69.03431	0.8
69.07066	11.5
69.14590	2.0
69.14999	3.2
70.06593	10.4
71.04971	1.9
71.08636	11.0
73.02909	1.1
75.73846	0.7
79.05498	11.3
81.03419	11.4
81.07058	17.1
83.04453	0.8
83.04993	3.1
83.08621	5.0
85.06532	1.5
85.10172	6.0
86.09692	1.9
87.04549	0.8
88.07631	17.0
89.06042	5.4
91.05479	6.2
93.07054	10.6
95.04972	9.0
95.08617	11.0
96.66151	1.0
97.06540	1.4
97.10163	3.0
99.08087	1.3
102.09184	10.9
105.07043	4.9
105.07663	0.8
107.08576	6.7
109.06517	1.6
109.10162	25.4
109.10895	1.5
111.08051	1.2
117.07043	1.0
119.08600	5.2
121.10152	2.6
123.08110	1.4
123.11723	2.0
125.09655	2.4
129.07002	1.0
131.08597	1.3
133.08636	3.9
133.10112	5.1
137.09596	2.2
145.10127	1.4
146.98154	1.9
147.11676	4.0
149.13277	2.5
151.11188	7.5
153.09125	1.1
159.11749	1.2
161.13356	1.8
163.14853	1.4
165.12784	1.9
166.50516	0.8
166.82968	0.8
171.11758	1.7
173.11740	4.5
173.13206	1.7
177.11278	1.4
179.14311	1.1
185.13440	1.0
217.19429	1.0
227.12860	2.1
229.14345	22.6
231.21289	1.2
241.19630	1.6
256.26355	34.9
259.20673	2.8
274.27454	4.9
277.21637	27.2
283.26395	5.5
284.29581	4.4
306.50269	0.8
311.29422	34.0
327.20105	1.7
335.25778	1.0
351.25345	12.6
481.23294	2.6
505.35214	40.0
506.35315	1.5
523.42053	1.9
540.53522	100.0
541.53778	1.7
559.00891	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2052
Annotation	N-Ac-Tyr-Val-Ala-Asp-CMK
Peak:m/z	Relative Intensity
52.91731	0.3
53.62864	0.3
53.82092	0.3
54.03545	0.4
54.94294	0.3
69.33307	1.4
69.33685	0.8
70.68237	0.4
93.87568	0.3
98.97613	1.2
100.11240	0.8
103.11273	0.4
103.61633	0.4
116.98632	0.4
143.74933	0.4
161.17535	0.4
198.74239	0.4
201.00739	0.5
210.14999	0.5
225.03146	0.5
231.02190	0.4
241.06281	0.4
249.02844	0.4
291.03888	0.9
411.77902	0.4
421.15231	0.4
540.41052	0.6
541.20471	100.0
542.20978	2.4
542.28546	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.2
64.82752	0.2
69.53579	0.8
70.06590	0.4
84.08112	0.2
137.05884	0.2
165.34642	0.2
181.08630	0.3
182.08961	0.3
220.06424	0.4
229.12019	0.8
238.07545	0.2
247.13107	0.6
317.08481	0.7
335.09576	1.4
354.02487	0.2
409.18338	1.7
417.13321	1.2
453.13147	0.2
541.22540	100.0
542.22937	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	541.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72989	0.3
52.60371	0.2
63.37553	0.3
67.84828	0.3
70.64736	0.7
75.04460	0.5
83.06960	0.3
85.02869	0.4
85.11149	0.3
91.05466	0.5
95.04964	0.4
98.22686	0.3
106.04160	1.5
107.04487	0.4
115.41807	0.3
121.06524	1.3
122.06863	0.5
125.06032	0.4
149.05991	2.2
150.06363	0.6
151.07498	0.4
153.09106	0.5
154.09549	0.3
162.10744	0.3
177.05528	1.1
178.05769	0.5
181.08583	1.0
181.87329	0.3
182.08983	0.5
191.64702	0.3
203.83830	0.3
209.08095	4.5
210.08435	2.5
223.04251	0.3
244.34288	0.3
275.07574	0.3
335.09604	2.3
409.18231	0.5
447.63028	0.3
541.22571	100.0
542.22949	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	541.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
72.86118	0.2
103.88171	0.2
121.06524	0.4
128.79346	0.3
135.09381	0.3
181.04967	0.3
188.89955	0.2
258.13452	0.3
335.09512	2.1
355.68137	0.3
388.54913	0.2
409.18329	1.6
493.35773	0.2
541.22546	100.0
542.22784	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	541.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
69.81375	1.6
70.93678	0.4
91.23966	0.5
98.22729	0.7
105.07036	0.5
106.04194	0.5
115.60936	0.5
121.06490	0.5
149.06050	1.3
150.06355	0.7
164.78665	0.5
177.05473	0.5
189.09143	0.5
209.08131	2.4
210.08432	1.2
219.10187	2.4
220.10487	2.2
236.73517	0.5
289.05237	0.8
290.48721	0.5
401.57587	0.6
425.31607	0.5
541.26245	100.0
542.26367	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	541.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98401	0.4
53.26033	0.4
57.07079	2.1
67.05466	0.5
69.07069	0.4
70.06592	1.6
70.88624	0.5
71.08624	1.0
81.07066	0.7
88.07616	2.1
95.08633	0.9
102.09174	1.4
104.10752	1.2
184.95990	0.6
225.06982	0.5
256.26349	4.2
257.26617	1.5
283.26523	0.5
284.29504	0.9
285.29742	0.5
311.29440	4.4
312.29837	1.5
477.24271	0.5
523.23450	0.9
540.53546	7.1
541.33472	100.0
541.53271	6.4
542.33801	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	541.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32949	0.2
57.07057	0.2
63.68313	0.2
69.07081	0.2
69.47111	0.7
70.06581	0.2
86.23512	0.2
86.36961	0.2
88.07613	0.4
91.15931	0.2
91.17870	0.2
102.09152	0.3
164.92058	0.4
185.04231	0.4
187.53453	0.2
203.05290	1.0
256.26291	0.7
257.26599	0.3
259.07779	0.4
270.81058	0.2
283.26096	0.2
284.29260	0.2
299.46280	0.2
311.29367	0.6
312.29678	0.2
540.53442	1.5
541.33307	100.0
542.33649	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	541.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07080	0.4
69.82141	0.7
70.06599	0.4
71.08652	0.3
88.07633	0.3
102.09169	0.4
104.45290	0.2
107.18015	0.2
206.22639	0.3
228.94055	0.2
256.26443	0.7
311.29413	0.6
313.27216	0.3
467.33237	0.3
540.53510	0.9
541.37140	100.0
542.37439	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	541.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07062	1.3
57.31499	0.8
67.05502	0.7
68.79781	0.6
70.06575	1.1
88.07597	1.0
102.09193	0.7
130.19310	0.6
238.07669	0.7
256.26328	2.2
311.29434	2.1
316.50174	0.8
355.59225	0.8
540.53534	4.4
541.37659	100.0
541.53491	5.0
542.38190	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	542.206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	2.6
59.00368	2.2
70.62229	3.6
78.04736	2.4
79.05491	4.3
85.02919	2.8
91.05486	10.8
93.03383	5.9
95.04959	3.3
97.68431	2.1
103.05458	8.6
105.07010	12.2
106.04193	12.2
107.04935	2.3
109.06517	3.8
118.04148	14.7
120.05657	2.0
121.06534	18.0
124.05211	8.4
125.06017	7.1
131.04951	3.8
133.06499	23.4
134.03554	3.2
135.08064	4.8
137.05937	4.0
149.05980	30.0
150.06760	9.4
151.07523	4.9
153.05457	2.4
153.09109	7.7
161.05939	5.5
163.07553	4.5
165.05484	3.2
165.09117	9.8
167.07083	5.1
177.05457	18.6
181.08592	14.7
191.07033	7.9
193.08603	79.1
197.08028	3.6
209.08090	100.0
228.79340	2.1
233.92421	2.3
244.53638	2.0
251.57732	2.4
266.75681	2.1
276.75607	2.0
289.39639	2.4
301.07385	5.0
325.52219	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	542.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79194	0.8
55.01874	1.1
55.05513	13.4
56.05038	2.7
57.03439	7.7
57.07071	2.4
65.03917	0.9
67.05508	26.2
69.07072	19.1
69.27279	5.0
71.07373	11.0
72.52066	0.9
79.05497	6.5
81.07061	30.5
83.05002	0.8
83.08624	7.9
86.09708	54.6
91.05483	5.2
93.07060	7.5
95.08607	21.1
97.06537	1.9
97.10181	3.6
104.10758	3.4
105.07032	2.8
107.08615	3.8
109.10153	7.3
111.11736	1.4
119.08602	3.3
121.10158	2.7
123.11705	3.6
133.10139	2.8
135.11693	2.4
136.90758	0.8
137.13287	1.4
146.98184	89.9
147.11708	1.8
161.13324	1.5
164.99275	1.2
188.00851	1.0
204.77066	0.8
218.55602	0.8
236.41402	0.9
279.91788	0.8
310.86865	0.8
337.27383	18.0
359.25504	6.7
380.47809	0.8
400.93958	0.9
483.24832	100.0
484.25446	3.7
542.32202	68.7
543.32397	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34168	1.0
53.03949	1.0
55.01877	2.4
55.05507	12.6
57.07080	6.1
57.33461	0.9
63.54357	0.9
65.03931	1.2
67.05502	14.2
69.06705	2.0
69.07069	28.1
69.07446	1.6
70.06601	2.1
71.04997	3.2
71.08636	2.2
73.17755	0.9
79.05495	12.6
81.07061	25.3
83.08620	10.5
84.78431	1.0
87.08100	2.4
89.06022	2.1
91.05485	10.3
93.07050	12.9
95.05003	2.3
95.08607	28.3
95.09215	1.5
96.08120	1.9
97.06537	3.1
97.10175	6.7
98.09652	1.1
98.22706	2.6
103.05457	1.9
105.07030	100.0
106.07340	1.1
107.04961	4.1
107.08601	15.2
108.08177	1.0
109.06470	1.3
109.10158	21.9
111.11737	5.6
114.49228	0.9
115.05492	1.2
116.47969	0.9
117.07022	4.7
119.04961	1.3
119.08584	35.4
120.08886	1.3
121.06448	1.2
121.10133	11.7
122.06033	3.8
123.08069	1.1
123.11707	5.2
124.07586	8.1
125.05996	2.5
129.06964	1.2
130.07843	1.1
130.87575	1.0
131.08566	28.5
133.06483	4.9
133.10138	19.3
135.08029	1.4
135.11668	4.8
136.07578	36.7
137.13258	1.9
139.14890	1.3
140.07048	7.2
143.08533	1.4
144.09419	1.2
145.10126	40.5
147.08051	4.2
147.11685	35.9
149.13228	4.6
151.14789	1.1
157.10100	1.8
158.10892	1.0
159.11702	16.6
161.09639	4.5
161.13251	15.0
163.14848	3.5
171.11632	1.4
173.13246	16.7
175.11223	3.4
175.14804	6.1
183.11734	1.0
185.13239	1.3
187.14792	12.9
189.16368	2.2
194.15355	1.1
197.13255	2.3
201.16399	11.8
204.13838	9.3
211.14919	1.6
215.14320	4.2
215.17915	1.4
222.14899	43.7
229.15866	2.1
240.15965	3.7
257.22665	20.7
267.21133	2.7
275.23727	1.1
276.00308	1.0
285.22116	31.5
297.16995	2.2
303.23154	3.5
312.75766	1.0
506.36307	38.5
507.35983	1.4
524.37311	61.9
525.37610	4.1
542.37427	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75275	2.5
55.01878	3.8
55.05512	10.3
57.07074	20.9
58.07973	2.9
67.05511	17.5
69.07072	31.4
70.06590	5.9
71.04994	6.2
71.08635	17.0
73.84586	2.5
79.05486	13.3
81.07060	30.3
83.08616	17.6
84.00658	2.9
85.10201	9.7
87.04444	4.4
89.06038	83.9
91.05481	10.4
93.07045	7.8
95.08624	33.6
97.06588	2.9
97.10192	6.6
105.07033	100.0
106.06562	3.3
107.04957	2.7
107.08600	18.8
109.10163	18.3
111.11753	6.4
117.07087	7.7
117.09113	4.1
119.08572	30.0
121.10171	10.3
123.11716	4.0
124.07597	21.8
125.05980	4.2
129.06996	3.5
131.08575	24.1
133.08611	44.7
133.10126	25.9
135.11710	6.2
136.07600	28.5
140.07083	9.3
143.08630	3.7
145.10143	38.0
147.11691	33.5
149.13258	4.0
155.17981	6.4
157.09982	2.9
159.11684	14.4
161.09579	4.6
161.13293	16.4
173.13287	19.6
175.14882	8.2
177.11211	19.0
187.14819	14.8
201.16423	10.3
204.13922	11.5
214.94936	10.2
215.14450	5.4
222.14900	79.8
229.87689	3.1
240.15927	17.5
257.22604	21.5
285.22107	34.0
287.26151	3.0
287.89911	3.1
327.19971	5.0
371.22632	15.7
457.08353	2.9
483.24167	3.2
506.36212	18.6
524.37317	61.2
525.39648	3.4
533.98737	2.9
541.53345	3.4
543.21002	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47834	3.0
55.01887	5.2
55.05514	63.1
57.03436	17.5
57.07072	10.8
57.47583	3.1
67.05507	55.6
69.03429	6.3
69.07069	24.0
69.19598	21.4
71.08627	4.2
77.44232	3.5
79.05483	21.5
81.07060	49.0
83.08619	40.1
88.07631	4.7
91.05455	7.9
93.07050	15.2
95.08604	31.1
97.10169	64.8
102.09175	6.1
105.07023	6.6
107.08588	27.9
109.10184	19.1
111.08088	4.9
111.43029	3.2
121.10156	7.5
123.11722	6.7
125.09634	57.7
133.10181	5.4
136.30046	3.4
147.11662	4.4
189.11234	32.1
190.04478	3.0
227.12787	92.4
245.13824	82.7
256.26343	13.6
257.26602	10.3
263.23679	6.5
311.29398	5.9
312.29816	14.0
337.27396	100.0
507.36819	63.3
541.54041	23.0
542.54242	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09237	1.1
55.05516	6.0
57.03435	5.8
57.07072	2.9
59.05000	2.1
64.99745	0.9
67.05508	49.8
69.07072	5.1
69.20398	2.5
69.20790	4.0
70.44815	0.8
71.05020	1.2
71.08633	1.6
76.75437	1.0
79.05494	14.3
81.07061	21.6
83.08614	5.6
84.89912	0.9
85.06515	1.3
91.05488	8.8
93.07047	20.1
95.04982	1.8
95.08614	16.1
97.10180	2.7
99.08128	1.2
100.80336	1.0
104.10762	1.8
105.07050	5.2
107.08586	9.5
109.10159	31.1
110.10491	1.0
111.08056	1.6
117.07046	2.4
119.08564	5.9
121.10159	5.6
123.11705	2.0
129.05502	1.0
131.08598	4.4
133.10165	3.3
135.11729	4.4
137.09616	1.3
137.13268	1.3
145.10146	3.9
146.98227	2.1
147.11716	2.5
149.13297	3.5
155.10706	1.2
155.45471	1.1
159.11755	3.6
161.13322	1.7
163.14885	3.4
173.11771	7.7
173.13152	2.0
177.16408	0.9
187.14862	1.2
191.31561	0.9
227.12872	4.5
229.14340	33.5
233.22699	1.1
243.21095	5.7
261.22159	11.6
317.24844	2.4
335.25784	23.1
375.13086	1.1
397.30801	1.2
408.41638	1.0
414.66382	1.0
471.34958	1.9
483.24536	2.4
489.35745	19.6
542.33826	100.0
543.34381	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	542.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.7
57.07077	36.3
59.05017	1.1
65.38772	1.0
67.05518	1.2
69.07079	2.0
71.08220	1.2
71.08628	24.0
73.06556	7.0
83.08614	2.3
85.08409	1.0
85.10183	19.4
86.09711	1.6
87.04472	5.2
89.06030	100.0
91.07616	1.3
97.10171	4.6
99.11723	4.7
107.07088	3.0
117.09133	5.5
130.08659	1.8
131.07040	2.0
133.08601	52.8
146.98239	1.4
155.17989	4.3
157.71457	1.2
177.11209	24.1
181.97377	0.9
199.20599	3.4
200.87604	0.9
202.91415	1.0
221.13869	3.7
239.15059	1.0
243.23212	11.1
256.26578	1.0
261.04315	0.9
265.16360	2.4
283.17511	2.9
287.25836	5.4
327.20282	2.5
345.49805	1.0
371.22644	7.9
373.00253	1.1
437.34186	1.1
465.10950	1.0
525.39874	14.4
542.42310	3.4
542.53540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49125	0.5
62.43887	0.5
69.31862	1.0
69.32272	1.8
75.72498	0.5
79.45125	0.5
91.66790	0.5
94.93015	3.6
112.89581	4.0
114.89365	2.4
127.26295	0.6
150.29239	0.6
178.31432	0.5
196.87759	0.6
204.87146	0.7
204.88969	0.7
206.88599	0.8
212.85284	2.8
214.84993	1.0
234.83371	1.3
245.01106	0.5
248.89665	4.2
300.87018	0.8
304.54785	0.5
346.87329	2.3
381.07895	14.3
424.37714	0.6
447.48471	0.6
543.13202	100.0
544.13647	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58142	0.5
60.57339	0.5
61.93588	0.4
63.92253	0.5
65.50936	0.5
70.71562	0.5
70.71917	0.7
74.86984	0.5
94.93031	3.4
109.89649	0.6
112.89610	4.8
114.89371	2.1
160.94028	0.7
168.53119	0.5
197.45183	0.5
202.89095	0.9
212.85197	0.9
214.85188	0.7
219.05022	0.5
234.83405	0.8
244.90224	1.2
246.89871	1.2
248.89839	0.7
284.89505	1.3
300.86795	5.6
302.86646	0.8
304.86722	0.6
326.84811	5.6
328.84500	0.7
381.07892	15.2
381.12558	0.9
543.13232	100.0
544.13599	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47669	0.5
62.33271	0.5
69.50153	1.5
71.65427	0.4
71.75542	0.6
122.03661	1.0
132.05783	0.6
136.78102	0.6
137.05981	12.6
161.06001	1.8
175.07568	3.3
185.04147	1.0
187.07582	1.5
193.50969	0.5
199.07536	1.0
203.05246	1.4
211.07361	2.7
219.08090	0.9
220.08473	0.5
247.07478	1.2
251.10609	2.2
279.10172	1.4
289.05066	0.7
311.12766	1.7
323.12756	0.9
333.10873	1.8
345.10815	1.3
363.11981	1.0
365.13461	1.1
407.28372	0.6
499.24878	0.8
543.18219	100.0
544.18811	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	543.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26277	0.6
55.01867	2.0
69.22240	3.7
74.54996	0.6
79.05496	7.5
82.50798	0.8
90.04690	0.7
91.05476	4.4
93.07046	1.0
95.04967	2.6
98.23463	1.1
103.05460	13.3
105.07029	79.4
106.07328	0.8
107.04942	1.6
115.05447	15.5
115.06233	1.3
117.03379	1.0
118.04156	5.9
119.04947	1.1
121.06523	4.5
129.19832	0.6
131.04924	7.9
132.05681	1.1
133.06487	73.9
143.04977	1.7
143.06044	6.1
145.02826	1.0
147.04376	1.1
148.05177	2.3
149.05959	9.6
153.64432	0.9
153.68538	0.8
159.04443	1.8
161.05977	100.0
162.06543	2.3
163.07487	5.0
165.47932	0.8
167.07036	1.0
176.04462	13.6
177.05464	9.0
184.04955	10.0
185.05736	5.5
190.93646	0.8
191.05309	0.8
191.07024	21.7
193.08601	48.2
194.05916	0.9
194.08896	0.9
203.26543	0.7
205.04761	1.4
206.05316	0.8
209.08067	6.5
215.06779	71.3
216.07246	0.9
230.05403	2.0
231.06253	7.6
256.09558	1.3
274.08197	1.7
288.67480	0.8
290.07541	3.3
291.08380	18.8
306.07181	1.2
381.12973	2.3
483.16299	17.4
484.16293	1.1
543.18335	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	543.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62946	0.2
70.06604	0.3
77.93529	0.2
79.70145	0.2
83.30421	0.2
93.46748	0.2
137.05937	0.3
185.04146	0.3
203.05257	1.6
346.08942	0.2
363.12054	0.8
543.18353	100.0
544.18701	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	543.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07644	0.5
67.81007	0.5
70.35352	1.1
77.52169	0.5
80.23777	0.5
98.22798	0.6
100.30961	0.5
143.08542	0.6
144.27946	0.7
185.04256	1.3
234.92355	0.5
351.25180	1.5
363.25345	0.6
370.86938	0.5
381.26114	57.4
382.26471	2.3
543.31427	100.0
543.38507	5.6
544.31824	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	543.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74258	0.6
57.51471	0.5
59.54131	0.4
69.64139	1.1
69.64529	1.6
78.74299	0.6
79.71748	0.6
93.07073	0.8
95.08637	0.5
98.23476	1.1
115.11401	0.5
181.68724	0.6
226.82037	0.6
343.17371	0.8
381.26218	1.2
513.30060	3.0
543.31445	100.0
544.31793	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	543.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01872	2.8
55.05511	48.8
55.64037	2.1
57.03437	26.1
57.07075	48.9
57.43729	2.0
67.05505	65.6
68.79063	2.2
69.07067	73.5
70.76987	2.9
71.04999	2.7
71.08631	31.6
71.44437	2.1
73.85174	2.2
75.04472	7.5
75.82990	1.9
79.05495	25.0
81.07056	100.0
83.04977	3.0
83.08622	59.0
85.06560	3.6
85.10187	17.9
86.09697	2.4
91.05484	8.1
93.07047	37.5
95.04993	2.3
95.08604	98.8
95.09215	4.8
97.06526	10.4
97.10168	38.8
99.08096	3.4
105.07013	12.7
107.08593	39.4
109.10159	49.7
111.08071	9.0
111.11707	16.3
117.07033	2.6
119.08595	10.6
121.10142	36.7
121.51285	2.1
123.11713	20.0
125.09622	8.0
125.13279	3.1
131.07010	5.3
131.08566	6.0
133.10150	9.6
135.11684	31.8
137.13261	8.0
139.11211	6.5
145.10153	6.4
147.11681	13.3
149.13281	22.9
153.12743	4.0
157.10100	4.0
159.11681	9.7
161.13275	6.1
163.14812	9.6
167.14381	3.8
171.11566	3.6
173.13263	4.3
175.14873	5.4
177.16417	4.4
185.13239	3.9
185.62149	2.7
187.14859	5.3
189.16411	3.3
197.13258	2.5
199.14815	3.5
201.16379	4.2
203.18027	2.3
215.17729	2.5
219.17406	2.6
241.19582	3.0
256.26520	3.4
258.27081	3.9
312.29816	2.9
313.30237	4.1
338.27808	2.8
341.31998	3.2
349.34631	4.7
359.32932	11.1
377.34137	26.1
413.36206	36.1
451.37772	31.0
452.38419	2.7
469.32608	3.6
469.38824	41.2
511.53354	2.3
525.41711	18.8
542.54242	6.3
543.34857	2.6
543.42340	38.9
543.49341	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	543.4928
Annotation	15,9'-dicis-Phytofluene
Peak:m/z	Relative Intensity
53.03944	2.6
55.05511	13.4
57.07080	6.2
57.44875	0.8
64.94054	0.8
65.03927	0.8
67.05505	24.1
69.07067	38.9
69.23474	4.7
70.36470	0.8
71.08620	2.1
73.67830	0.7
79.00159	0.7
79.05489	18.4
81.07057	100.0
81.99313	0.7
82.07387	1.0
83.08617	10.3
91.05486	12.5
93.07047	25.3
95.04966	2.2
95.08607	62.9
97.10165	7.0
105.04515	1.8
105.07029	23.8
107.08595	33.6
109.10153	39.8
111.11739	3.8
116.21941	0.8
117.07021	3.1
119.06052	0.9
119.08584	29.3
119.09424	1.6
121.09264	1.5
121.10142	29.8
123.11710	20.2
125.09687	0.9
128.06227	1.5
129.06993	2.3
131.08574	9.4
133.10130	19.1
135.11694	18.5
137.13249	10.6
142.07736	0.8
143.08539	5.5
144.09331	1.6
145.10127	15.6
147.11679	17.8
149.13252	12.1
151.14842	2.4
155.08620	2.3
156.09355	1.5
157.10103	7.9
158.10907	1.4
159.11694	18.5
159.12962	1.4
160.12486	1.1
161.13260	15.3
163.14821	9.2
165.16457	1.0
169.10138	3.2
170.10947	1.0
171.11679	8.8
173.13249	15.3
175.14835	10.5
177.16406	5.4
183.11729	3.5
185.13266	7.7
187.14822	10.9
189.16391	6.2
191.17976	3.0
197.13173	3.7
199.14821	7.3
201.16391	8.2
203.17947	4.8
205.19543	1.8
208.73230	1.1
209.13283	1.1
211.14799	4.1
213.16380	6.9
215.17949	4.9
217.19580	4.2
219.21114	0.8
221.60588	0.8
223.14815	1.2
225.16399	2.5
227.17874	4.5
229.19443	4.1
231.21106	1.9
237.16530	1.3
239.17972	1.5
241.19539	3.3
243.21138	3.3
245.22731	1.1
251.17749	1.4
253.19604	2.2
255.21155	3.1
257.22711	3.0
259.24258	1.1
265.19675	1.0
267.21182	2.2
269.22638	3.7
271.24243	2.1
281.22614	1.9
283.24167	4.0
285.25833	1.5
295.24216	1.5
297.25839	2.9
299.27411	1.0
307.24329	0.9
311.27191	1.7
323.27393	1.1
325.28922	2.2
328.62512	0.9
337.28793	1.2
339.30460	1.1
351.30399	2.0
353.32138	1.1
365.32141	1.6
393.35126	1.9
397.77686	0.9
405.35403	0.9
407.36713	1.3
419.36652	1.1
461.41544	2.8
487.42932	1.0
543.36572	1.3
543.49225	52.0
544.49323	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	544.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52826	0.9
58.25459	0.9
67.05502	2.4
69.03418	1.2
69.71332	2.3
69.71678	1.8
79.05486	3.7
80.78394	0.8
81.07051	8.8
83.04963	1.0
85.02885	2.0
91.05483	2.7
91.45155	1.0
93.07043	10.6
95.04968	3.8
95.08607	3.9
97.06505	1.2
105.07021	9.7
107.04928	1.4
107.08622	5.5
109.06538	4.6
109.10155	2.5
111.08054	1.0
117.07056	1.7
119.04943	3.6
119.08583	16.8
121.06487	3.9
121.10128	4.2
123.04453	1.7
123.08100	1.3
125.05994	3.3
129.07019	2.0
131.08562	3.7
133.06549	1.1
133.10130	5.8
135.08073	2.7
137.05936	1.3
137.09587	1.0
143.08589	3.2
145.10118	11.2
147.08006	2.4
147.11694	3.7
149.09705	1.2
151.07542	1.4
155.08559	2.1
157.10158	6.3
159.08014	2.0
159.11676	4.3
161.09589	1.6
161.13358	1.0
163.11185	1.4
169.10141	3.0
171.11676	3.3
173.09636	2.4
173.13289	1.5
175.11205	1.1
175.79915	1.0
181.08614	2.4
181.10149	2.2
183.11671	2.8
185.09639	1.9
185.13313	2.0
187.11147	1.9
189.09065	1.6
191.10675	1.5
193.10213	1.1
195.11748	3.1
197.13251	4.0
199.11115	1.9
199.14726	1.8
203.10594	1.0
205.12120	1.0
207.34055	1.0
209.13286	7.7
211.14764	4.9
213.12776	2.1
213.16336	2.2
227.10600	1.5
227.14322	4.0
227.17978	3.2
231.13855	2.4
235.09761	1.7
237.12682	2.8
237.16393	4.6
239.17873	6.4
247.14973	1.0
255.13794	3.7
255.17468	13.8
257.19040	8.8
265.15900	2.9
273.15308	1.9
273.18466	11.3
283.13370	2.9
283.16916	16.6
285.18512	2.7
293.15405	1.8
301.14542	1.8
301.17966	25.5
311.16364	8.9
319.19046	1.6
329.17480	30.1
347.18530	100.0
348.18759	2.6
365.19650	6.6
415.54703	1.0
545.19757	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	544.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	0.6
69.03416	2.2
69.07064	2.7
69.60616	1.9
70.06589	0.9
72.08144	0.9
78.13927	0.7
79.05504	0.5
79.91841	0.5
81.07059	1.2
85.02915	4.4
86.09697	1.2
91.05465	2.0
93.07034	2.3
95.08608	2.4
97.02900	1.6
105.07027	2.0
107.08595	1.4
109.10134	0.6
117.07018	1.3
119.08575	1.2
121.06539	0.6
121.10159	0.7
127.03938	0.9
129.06996	2.5
131.08574	4.6
133.06541	0.7
133.10136	2.5
141.07030	2.2
143.08553	8.1
145.04991	1.0
145.10072	3.0
147.11664	0.9
149.09502	0.6
155.08545	7.3
156.09380	3.0
157.10127	4.5
159.11673	3.3
161.05923	0.7
167.08620	1.0
169.10130	5.0
171.11676	3.1
173.09642	1.2
181.10133	2.1
182.10953	0.7
183.11678	4.2
184.12431	1.4
185.13264	1.7
187.07523	1.2
195.11635	2.8
196.12549	1.0
197.13249	29.2
198.13622	0.8
199.14822	4.3
201.12680	1.3
207.11732	1.3
209.13268	7.0
210.14046	0.7
210.16591	0.6
211.14818	2.6
222.13934	0.8
225.12729	2.1
227.14325	5.1
227.17957	2.4
237.12753	1.7
237.16397	5.5
239.17960	2.7
243.13786	8.2
245.15294	3.6
255.13814	13.0
255.17451	14.8
257.19037	2.9
265.15881	1.1
273.14877	2.1
273.18442	2.7
283.13901	1.3
283.16913	19.1
301.17978	58.1
302.18173	1.2
319.19022	4.6
324.09375	1.0
329.17426	3.6
337.20294	1.6
347.18524	100.0
348.18802	2.3
365.19711	1.2
401.07480	0.6
467.80682	0.9
503.09842	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	15.4
68.63672	1.0
70.06588	1.4
71.46760	0.9
72.08154	1.8
84.08132	2.9
84.96037	4.9
95.05125	1.0
98.97584	40.7
109.96797	0.8
110.97570	14.3
112.99133	3.7
116.98618	15.8
120.61404	0.9
124.99140	1.5
125.25684	0.8
126.96998	1.2
128.01717	0.9
128.98604	15.4
129.10234	2.8
131.00189	3.5
134.99608	4.1
140.98570	4.5
143.00188	6.2
144.08086	1.0
144.98085	2.9
146.99641	7.8
149.01234	1.8
152.98647	2.1
153.87305	0.8
155.00206	1.3
158.99655	9.3
161.01216	6.2
162.99142	2.6
163.00677	4.5
170.99660	4.9
177.00742	10.3
179.02254	1.3
181.01683	6.9
189.00746	4.1
193.01749	6.4
195.01738	1.8
195.03308	12.1
197.80684	0.8
198.49475	1.1
199.02747	1.8
201.00749	3.9
207.03320	2.2
211.02747	6.0
213.04349	13.9
219.01764	30.4
223.02777	3.9
237.02559	45.8
241.03752	1.5
249.04384	1.7
251.05901	1.7
255.05710	5.7
261.04343	1.3
265.03925	1.4
273.04230	1.9
279.05322	5.8
291.05548	1.3
297.06396	1.2
299.99277	0.9
328.73340	0.8
339.07498	74.8
340.07751	1.5
353.00323	0.8
355.65991	0.9
357.08554	70.9
358.08780	1.3
425.11365	1.1
448.80215	0.9
485.13300	100.0
486.13309	2.9
503.14380	0.8
545.15186	1.3
545.32794	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47961	0.8
59.16404	0.7
59.16793	0.6
60.04525	2.7
61.85743	0.7
69.07047	0.9
69.35562	4.1
70.06577	4.9
72.08157	4.1
79.21913	0.7
86.09700	16.7
107.00337	0.8
110.07120	0.9
117.65150	0.9
136.07593	0.9
147.04404	3.4
167.87122	1.0
183.07605	1.5
185.04216	28.5
185.05887	1.4
195.10165	0.8
201.08664	0.9
201.12413	1.1
221.07855	18.3
232.12817	1.3
260.08246	0.8
267.66919	0.9
268.16592	1.0
286.17456	1.0
296.15973	1.3
314.17087	4.9
383.13113	100.0
384.13467	3.0
444.74500	0.8
545.18365	79.0
546.18634	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1998
Annotation	Bistratamide H
Peak:m/z	Relative Intensity
52.56289	1.1
62.32427	1.4
69.67960	1.4
70.06599	1.8
86.09698	3.6
119.66356	1.6
129.10208	1.7
247.14470	1.8
286.13550	1.4
333.92218	1.5
510.88708	1.5
545.19952	100.0
546.20184	2.9
574.40057	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87527	1.2
55.05505	3.4
56.26029	1.1
56.96566	15.3
57.03431	2.0
60.97082	1.3
67.05512	8.9
69.07079	1.2
69.56209	4.6
79.05490	4.9
81.07057	7.8
87.11684	1.3
91.05482	2.4
93.07039	4.5
93.33053	1.0
95.08598	5.9
97.96817	2.1
102.92583	2.7
105.07061	2.8
107.04971	1.1
107.08581	2.2
109.10175	2.1
110.97606	2.4
115.97810	2.0
118.92107	3.0
119.08605	1.4
121.10168	1.7
128.98615	3.6
131.08572	1.4
133.10123	1.7
136.93115	35.4
149.01219	1.2
154.94164	62.1
172.95239	73.3
177.95779	2.5
181.62918	1.2
184.07397	2.8
190.94626	0.9
190.96275	26.1
192.95547	1.5
192.96887	1.8
193.04030	1.2
195.96788	8.3
207.99858	1.9
210.97755	100.0
212.90547	1.5
213.97914	1.2
216.97827	1.4
228.97856	33.4
246.98920	13.3
251.99503	3.2
256.11630	1.5
261.14685	1.3
268.47324	1.2
270.00696	1.3
279.12595	1.8
285.00702	1.9
317.17871	71.1
318.18356	2.5
333.17453	2.4
335.18948	24.2
335.25696	12.8
358.20566	7.9
371.08615	1.3
391.21655	2.6
397.14581	5.1
405.30023	2.2
410.05081	1.1
453.17126	38.6
453.23254	2.6
454.17484	1.6
471.18207	65.3
472.18503	2.6
489.19260	13.6
494.19781	8.1
527.21936	1.8
545.22144	84.4
546.21991	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	545.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	4.6
56.96568	18.1
57.03462	2.2
65.79905	2.1
67.05507	7.1
69.07066	2.8
79.05502	4.8
81.07055	7.1
91.05515	2.0
93.07047	6.4
95.08627	6.1
95.52674	1.9
102.92590	2.6
107.08651	3.9
115.97839	2.6
118.92113	5.8
128.98680	2.8
131.08560	2.4
136.93126	32.5
140.99483	2.3
146.99686	3.5
149.01169	2.3
154.94174	66.4
161.01181	2.2
172.95242	87.7
173.13358	2.0
177.95767	3.3
190.96274	33.8
190.97871	2.2
195.96896	8.7
210.97803	80.8
213.98116	2.6
228.97862	36.7
228.99957	3.7
232.09964	2.1
246.98898	16.2
251.99379	3.2
317.17868	100.0
318.18365	1.9
333.17474	2.2
335.18951	27.5
335.25717	10.0
358.20569	9.6
391.21417	2.5
397.14615	6.5
453.17111	47.3
454.16638	2.5
471.18198	73.4
472.18524	3.6
489.19241	20.4
494.19778	13.9
545.22101	98.3
546.22363	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	545.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.9
56.96561	13.3
57.03446	2.3
60.08158	4.4
61.54675	1.5
67.05510	12.1
69.07063	3.2
71.07367	3.6
71.08662	2.3
79.05483	4.3
81.07052	8.5
84.79305	1.7
86.09699	21.4
87.10011	2.1
91.05504	2.7
93.07045	5.2
95.08599	7.5
96.14579	1.3
98.98446	3.4
105.07053	2.8
107.08628	3.7
107.39274	1.6
109.06482	2.1
109.10172	2.3
110.97662	2.0
118.92064	2.9
125.00010	17.6
128.98636	3.6
136.93097	27.3
146.99734	1.7
154.94171	46.2
172.95236	59.5
177.95801	4.7
178.43184	1.4
184.05658	3.4
184.07333	69.0
185.07745	11.8
190.96289	24.4
192.96638	2.5
194.26288	1.4
195.96844	5.1
210.97743	100.0
212.98430	2.0
213.97856	1.9
228.97823	29.5
233.98480	2.4
243.02449	1.5
246.98853	11.4
251.99384	2.3
256.15344	1.9
260.18170	1.7
277.11090	1.8
317.17862	71.3
318.18152	2.1
331.26105	3.9
335.18979	25.0
335.25647	12.5
337.21939	1.6
358.20682	8.0
391.21426	2.9
397.14523	5.6
405.29898	5.7
453.17120	35.7
471.18210	60.1
472.18329	2.0
489.19357	13.9
494.19839	10.4
545.22101	85.9
545.34583	3.4
570.43262	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00848	1.3
55.05513	2.7
56.73595	1.1
56.96564	15.8
57.03453	1.6
67.05507	8.6
68.18974	1.3
69.07069	2.8
73.94469	1.3
79.05502	4.7
81.07043	8.1
91.05477	2.6
93.07065	4.1
95.04985	1.2
95.08601	5.1
97.96816	2.1
105.07062	2.1
107.08616	2.5
109.10133	1.9
110.97575	1.9
114.77212	1.2
118.92122	4.2
121.10077	1.6
128.98637	4.1
135.11740	1.4
136.93108	30.9
136.94072	2.5
137.02753	1.5
146.99686	3.1
154.94164	61.5
161.01181	1.4
172.95233	70.1
177.95784	3.9
180.95795	1.5
184.07439	3.7
190.96280	21.3
192.96797	1.5
195.96829	7.3
207.99913	2.4
210.97739	100.0
228.97839	31.8
228.99910	2.3
233.98473	1.8
246.98903	14.0
251.99496	4.3
270.00684	1.5
303.01614	1.6
317.17871	76.9
318.18176	2.7
333.17361	2.1
335.18906	25.0
335.25626	12.8
358.20392	10.5
391.21576	2.5
397.14496	4.0
453.17053	41.6
453.23215	2.2
471.18192	64.5
472.18597	2.0
489.19180	17.5
494.19751	10.6
527.21069	1.7
545.22192	85.4
546.22430	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3089
Annotation	Gln Ile Glu Arg
Peak:m/z	Relative Intensity
52.26315	0.3
54.57487	0.3
59.55658	0.3
63.80325	0.3
69.79412	1.1
70.52193	0.3
81.07084	0.3
97.31393	0.3
98.22772	0.6
101.18074	0.3
111.73637	0.3
118.44411	0.3
152.71901	0.3
185.01822	0.4
214.94818	5.5
272.99594	0.3
437.80988	0.4
471.18442	0.4
473.31171	0.3
486.26700	0.6
545.22491	15.1
545.30707	100.0
546.22491	1.1
546.31036	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86189	0.2
56.75936	0.2
64.27886	0.2
69.64943	0.7
69.65260	0.2
79.91576	0.2
81.07068	0.4
93.07056	0.4
95.08627	0.5
105.07027	0.4
107.08668	0.3
109.10146	0.3
133.10074	0.3
137.09525	0.2
141.23721	0.2
147.00673	0.2
148.06097	0.3
159.18068	0.2
166.85417	0.2
190.16701	0.4
217.15926	0.2
383.27805	0.7
441.24701	0.3
461.05286	0.3
515.31610	0.6
545.32959	100.0
546.33435	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.33
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13547	0.3
57.85796	0.3
71.47551	0.4
78.01350	0.3
95.08537	0.5
105.06980	0.5
131.08537	0.4
159.11690	0.3
183.53134	0.3
185.04138	1.3
365.22778	0.5
365.26794	1.6
383.27667	67.0
384.27997	1.5
406.04654	0.4
545.32971	100.0
545.88556	0.9
546.33234	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	546.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.6
55.01870	7.3
55.05504	20.5
57.03431	11.9
57.07055	5.7
67.05503	40.0
69.03419	22.3
69.07058	17.5
71.05008	27.5
73.02890	5.0
74.18802	5.5
75.04471	8.0
76.05450	5.0
79.05515	28.1
81.03423	30.4
81.07057	67.9
83.08627	14.8
85.02906	72.2
85.06538	14.3
87.00813	19.9
88.67094	5.9
91.05505	25.7
93.07051	94.2
93.79841	5.7
95.04943	14.9
95.08614	68.4
96.70829	6.2
97.02905	25.9
97.06522	15.7
99.04459	12.2
99.08092	34.3
105.01839	19.2
105.07029	35.5
107.08593	53.3
109.02869	18.2
109.06498	16.2
109.10157	66.2
111.08070	13.2
119.08579	24.0
121.10149	64.5
123.08070	15.6
123.11699	15.7
127.03900	37.8
131.08554	12.9
133.10136	20.8
135.08022	11.8
135.11661	33.1
137.13228	5.7
145.04959	8.5
145.10103	16.0
147.11668	31.9
149.09630	13.1
149.13255	26.2
151.11194	6.6
151.14807	5.8
157.10089	10.7
159.02879	11.7
159.11736	12.1
161.13249	18.4
163.14799	39.1
165.12756	9.6
167.10623	16.3
177.12695	6.1
179.14328	14.8
181.15828	15.9
184.07343	10.7
187.14821	6.9
189.16359	17.2
205.57544	7.2
207.17480	15.5
217.16254	7.6
217.19568	49.2
227.17822	10.6
231.05016	9.7
235.20605	24.0
245.19020	28.5
263.20059	100.0
281.21130	42.9
331.26282	6.1
389.23593	7.6
405.29962	68.0
415.57697	6.6
431.24161	6.9
493.24371	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	546.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79864	2.6
57.03434	3.4
61.02927	4.6
61.05649	2.3
69.03421	12.3
69.07067	5.3
69.42815	4.7
69.43231	8.1
70.06596	29.4
70.31310	2.3
72.08155	22.0
79.05499	4.4
81.07073	6.4
84.04514	2.4
84.08147	22.6
85.02908	37.7
85.06536	3.3
86.09711	31.2
91.05482	7.1
93.07019	6.2
95.08612	10.4
97.02893	5.1
97.06536	16.1
98.23508	3.2
101.56091	2.6
105.07063	11.2
107.08620	8.4
109.02887	4.0
109.06564	3.5
111.08096	3.5
117.07036	4.5
119.05032	2.6
119.08590	7.7
120.68403	2.7
121.02930	2.6
121.10155	3.5
127.03927	5.6
129.06918	2.5
131.08569	6.9
133.10126	8.3
134.25258	2.6
135.08034	14.5
143.08577	12.6
143.11864	3.1
145.04947	3.0
145.10139	8.3
153.09108	3.1
155.08568	7.0
157.10162	5.3
159.11646	2.9
169.10138	4.5
171.08090	3.3
171.11525	4.1
181.10132	6.4
183.11682	7.5
185.13205	3.6
197.13272	8.6
199.14769	19.2
201.12416	5.0
201.16226	2.6
209.01234	6.2
209.13245	18.1
211.14793	20.2
215.14314	3.0
223.14969	2.9
223.26295	2.6
227.14354	6.6
229.11874	6.2
229.15874	4.6
239.14133	4.9
239.18056	6.9
249.16444	5.4
257.15182	2.8
257.19025	28.2
263.13977	8.3
267.17438	19.5
285.18506	91.8
286.13983	5.7
286.18643	3.3
303.19534	39.9
313.17889	12.0
331.19034	58.4
349.20081	100.0
361.02213	3.9
367.01334	5.2
367.20798	3.1
385.02457	17.1
403.03345	32.6
411.91354	2.9
415.03232	3.0
421.04535	5.6
425.53842	2.8
427.02866	3.3
433.04520	2.9
445.04303	10.6
487.04929	3.1
493.24432	14.6
505.06610	10.2
511.25232	6.1
546.28198	2.7
546.36426	14.5
547.07831	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	546.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05515	4.3
57.03429	4.0
67.05499	5.3
69.03420	1.6
69.07060	7.0
71.05000	1.3
71.08633	4.9
79.05496	4.7
81.07051	12.9
81.52852	1.1
83.08618	3.5
91.05490	4.4
93.07027	6.3
95.04966	2.2
95.08619	8.7
95.30490	1.3
97.06535	3.4
98.98474	2.5
99.08098	1.7
101.30205	1.1
104.10777	1.2
105.07020	8.7
107.08595	7.8
109.06530	7.1
109.10178	3.7
109.41197	1.1
111.08070	1.1
115.05466	1.2
119.08598	8.0
121.10155	4.8
123.08067	15.2
125.09648	1.3
131.08574	2.0
133.10106	5.5
135.08064	7.0
135.11719	2.6
137.09581	2.0
141.06367	1.2
145.10103	3.4
147.11714	5.1
149.13263	2.4
159.11700	2.7
167.14343	2.0
175.14838	6.8
177.12753	3.5
179.14313	20.1
191.14310	1.3
205.15886	3.2
258.01700	1.4
263.20099	2.2
275.20059	1.9
289.21649	6.1
289.24979	1.6
293.21057	2.3
318.35327	1.4
331.26318	14.0
344.25882	1.2
349.27393	5.9
360.32437	1.3
374.30508	2.1
375.28778	2.0
387.28885	5.4
405.29984	100.0
406.30490	2.4
485.26239	1.6
503.27618	5.4
546.31500	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	546.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.05515	5.5
56.69352	0.8
57.03439	3.5
57.07073	2.4
58.06610	1.2
58.82379	0.8
62.06085	1.1
67.05513	9.9
69.07075	7.6
69.35792	4.1
71.04992	0.9
71.08635	3.6
72.08163	2.2
79.05499	7.3
81.06574	1.0
81.07056	16.3
83.04996	1.6
83.08614	3.0
85.06551	1.1
89.00089	0.8
91.05481	6.1
93.07050	9.6
95.04993	0.9
95.08616	13.9
97.02927	1.2
97.06540	3.3
97.10159	1.1
98.98499	4.3
99.08147	1.9
100.11234	1.3
100.66293	1.1
105.07035	8.1
107.08604	8.6
109.06519	6.5
109.10165	6.7
111.08085	1.0
117.07015	2.7
119.08593	8.9
121.10186	7.2
123.08069	14.7
123.11717	3.3
125.09633	2.0
131.08580	3.3
133.10126	7.5
135.08066	6.5
135.11700	3.8
137.09607	1.3
137.13243	1.4
145.10121	4.6
147.11684	7.7
149.09631	1.1
149.13254	3.5
159.11754	3.0
161.13304	2.6
163.14868	1.6
167.14354	2.1
173.13281	2.9
175.14754	5.8
177.12761	2.2
177.16388	1.8
179.14323	18.3
184.07408	1.9
187.14983	1.3
191.14238	1.0
201.16415	1.0
205.15923	3.2
209.27429	1.0
216.06390	0.9
219.17685	0.9
243.21082	2.5
259.95395	0.8
261.22104	10.9
263.19980	1.1
279.23352	1.2
289.21649	7.5
293.21277	1.2
303.26926	1.5
331.26407	11.1
335.25787	2.6
349.27283	5.6
353.26752	4.3
369.28073	1.6
374.30615	1.9
375.29062	1.2
387.29001	6.4
405.30017	100.0
406.30411	3.8
413.46582	1.0
503.27829	5.1
546.30573	1.7
546.38855	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	546.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.8
55.05520	5.0
56.71415	0.6
57.03437	3.8
57.07069	1.0
59.04982	0.8
67.05503	5.9
69.07076	7.2
69.79604	1.5
69.79961	1.3
71.04996	1.1
71.08646	4.1
79.05483	4.0
81.07056	9.7
83.08620	2.9
85.02926	0.7
85.06542	1.1
89.54333	0.6
91.05475	3.3
93.07041	6.5
95.08610	9.7
97.06528	2.5
97.10197	0.9
98.98459	2.5
99.08092	2.7
105.07035	7.7
107.08600	6.7
109.06512	6.2
109.10172	3.8
111.08088	2.0
119.08576	8.2
121.06470	0.7
121.10154	5.5
123.08073	14.1
131.08560	2.4
133.10147	7.2
135.08075	7.0
135.11688	2.1
137.09669	1.3
137.13327	0.8
143.08624	0.8
145.10121	3.2
147.11732	4.9
149.09657	2.0
149.13280	2.3
157.10121	1.3
159.11700	2.8
161.09622	1.7
161.13245	1.5
164.37656	0.7
167.14328	1.5
173.13248	1.5
175.14801	6.8
177.12769	2.8
177.16339	0.8
179.14296	21.4
191.14348	1.1
205.15906	3.5
216.06364	1.6
237.71869	0.7
238.91263	0.7
251.52521	0.8
263.20047	1.4
275.20212	1.5
287.97311	0.8
289.21686	6.4
293.21121	2.3
303.26755	1.8
313.25085	0.8
319.22522	1.5
326.61957	0.7
329.24521	0.8
331.26340	12.5
337.23892	0.8
347.25616	1.0
349.23785	1.2
349.27463	5.4
374.30557	1.9
375.28870	1.7
387.28802	6.3
405.30008	100.0
406.30383	2.8
485.26523	1.7
497.88022	0.8
503.27835	5.3
546.31903	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	546.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04230	1.1
55.01852	1.4
55.05509	4.2
56.04968	1.0
57.03441	4.3
57.07082	1.4
59.25005	1.2
62.06087	1.3
63.36620	1.1
67.05499	6.1
69.07076	4.9
69.57243	4.4
71.05015	1.2
71.08627	5.7
72.04519	26.6
79.05488	3.3
81.07063	11.6
83.08630	3.7
84.40876	1.1
89.06007	1.3
91.05484	4.7
93.07044	5.0
95.08610	6.7
97.06527	2.5
98.98470	4.0
99.08098	2.1
105.07017	5.8
107.08597	7.9
109.06553	5.9
109.10176	3.8
117.06998	1.2
119.04964	2.9
119.08568	10.5
121.10142	4.7
123.08063	12.3
131.08557	1.5
133.10152	8.4
135.08046	5.9
135.11713	2.6
145.10143	3.9
147.11700	5.0
149.09621	1.9
149.13264	2.5
159.11687	2.1
161.13298	1.6
163.11209	4.1
173.13335	1.3
175.11195	3.5
175.14793	6.1
177.12738	6.3
179.14305	21.8
191.14369	2.0
193.15877	1.9
194.07149	1.5
199.14935	1.2
205.15891	4.3
213.09062	1.4
216.06329	1.7
220.13377	2.3
222.14848	1.8
227.10750	6.0
234.14920	4.9
263.20099	2.1
275.20001	1.6
284.12888	2.7
289.21646	4.8
293.21164	1.8
325.21463	1.5
328.19119	1.8
331.26321	12.7
340.19180	3.9
349.27338	5.8
374.30518	1.6
384.25137	1.7
387.28976	6.8
396.25378	10.3
405.30011	100.0
406.30368	3.0
485.26880	1.4
503.27527	5.4
546.32373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	6.5
57.03446	8.4
57.07074	3.1
62.90596	1.7
62.94541	1.8
66.72041	1.6
67.05515	9.7
69.07066	7.4
71.08630	3.8
79.05481	10.4
81.03439	1.9
81.07064	18.7
83.08623	3.5
85.06556	4.2
91.05481	13.2
93.07063	12.1
95.04958	2.3
95.08599	12.5
98.98493	4.4
99.04475	2.4
99.08114	2.8
105.07031	15.2
107.08626	11.4
109.06498	10.0
109.10140	7.3
111.08078	2.7
117.07004	2.8
119.08595	13.4
121.10136	6.2
123.08046	17.2
123.11634	2.5
125.09668	2.8
131.08572	6.3
133.10129	11.8
135.08046	7.0
135.11690	3.2
142.76939	1.8
145.10138	4.8
147.11678	5.6
149.09619	2.2
159.11746	4.6
173.13272	2.8
175.14766	5.4
177.12729	3.1
179.14305	23.8
191.14360	2.5
203.14417	1.8
205.15919	3.7
219.17450	24.7
275.20090	5.5
289.21609	5.9
293.21222	3.0
303.26859	2.6
309.21121	1.9
331.26208	11.7
337.64740	2.1
349.23752	46.5
349.27457	5.4
374.30679	3.8
380.20502	1.8
387.29065	4.4
405.30005	100.0
406.30209	2.6
416.19168	1.9
438.85568	1.8
459.88400	1.7
503.27521	6.0
511.28601	3.5
546.32013	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
55.05507	4.9
57.03440	2.1
57.07057	1.3
65.96484	1.3
67.05511	8.4
69.03416	1.6
69.07063	6.3
69.51732	5.2
77.06689	1.2
79.05487	6.8
81.07056	14.5
83.04964	3.7
83.08622	1.8
85.02924	1.6
91.05490	7.9
93.07051	12.1
95.04965	3.3
95.08566	7.2
97.06552	2.3
97.10187	1.6
97.60247	1.3
98.22756	2.6
105.07011	10.3
107.04951	3.5
107.08592	6.1
108.44421	1.0
109.06517	6.2
109.10162	4.3
117.07019	3.4
119.08571	8.9
121.06493	5.8
121.10131	4.9
123.08092	2.2
123.11674	1.4
125.09620	1.4
129.07011	1.6
131.08543	9.1
133.06509	1.5
133.10117	8.2
135.08055	3.7
135.11693	4.7
137.09647	1.2
143.08553	1.5
145.10097	6.7
147.08046	1.8
147.11699	7.1
149.09622	2.6
149.13278	1.8
151.11194	2.1
157.10161	2.3
159.07993	2.1
159.11681	4.4
161.09621	2.0
161.13219	1.7
163.11215	4.1
163.14818	1.5
173.13255	2.7
183.11699	1.4
184.07355	2.2
191.14276	1.9
198.85825	1.1
201.50050	1.3
219.13957	1.1
239.17952	2.1
247.20645	1.9
257.18921	5.5
275.20053	35.3
282.24622	1.1
293.21207	4.1
349.23743	100.0
350.24091	2.8
367.24771	29.1
373.21564	1.3
405.29971	3.9
454.62506	1.5
464.80634	1.1
485.15710	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	546.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80740	3.3
55.05510	6.1
57.03450	8.7
67.05516	11.1
69.07068	4.7
69.30350	17.4
71.03382	2.8
79.05497	11.7
81.07067	15.4
83.05025	3.8
84.71990	2.9
91.05471	18.7
93.07051	14.2
94.58239	3.0
95.08622	13.2
105.07047	13.4
107.04043	2.9
107.04917	2.9
107.08607	11.2
109.06517	3.1
109.10139	3.8
117.07004	7.1
119.08596	12.6
121.10154	6.5
123.08074	3.7
129.07135	3.0
131.08591	11.6
133.10156	7.9
135.08000	3.7
135.11716	3.9
145.10114	4.8
147.11687	6.3
159.11736	5.2
175.14914	3.5
179.14368	3.6
190.06999	3.6
219.17450	79.5
275.20120	12.5
349.23749	100.0
405.29990	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	546.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.4
56.05050	0.5
56.96568	0.3
58.06348	0.2
58.06624	0.6
59.07393	0.2
59.52518	0.2
60.08165	6.3
67.05508	0.7
67.23812	0.2
69.07064	0.3
69.89473	0.4
69.89825	0.3
70.06599	0.2
71.07379	3.2
72.08160	0.4
79.05485	0.4
80.97420	0.2
81.07074	0.7
81.22810	0.2
86.09711	29.5
91.05499	0.2
93.07049	0.4
95.08616	0.5
98.98476	3.2
102.03322	0.2
104.10745	3.5
107.08583	0.3
109.10128	0.3
119.08585	0.3
123.08060	0.2
125.00008	22.6
127.25961	0.2
130.32487	0.2
143.01106	0.2
145.10133	0.2
154.94156	0.5
172.95229	0.6
179.14403	0.5
184.07347	100.0
185.07689	0.6
190.96263	0.2
210.97696	0.3
256.26465	0.3
258.11029	0.3
261.22153	0.2
263.73309	0.2
319.19586	0.2
331.26404	0.3
337.20456	0.5
405.30069	1.3
473.19507	0.3
485.26157	0.2
491.20898	0.3
528.34814	1.1
546.35858	2.8
547.23132	0.5
565.71368	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	546.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26888	0.3
53.07209	0.3
54.23502	0.3
55.05510	1.2
56.05026	1.4
58.06578	1.5
60.08165	17.5
67.05502	2.4
69.07066	1.1
69.86797	1.1
70.06596	0.4
71.01884	0.3
71.07373	6.7
78.29984	0.4
79.05495	1.8
81.07055	2.0
86.09706	49.3
87.10012	0.5
91.05498	1.0
93.07047	1.5
93.16982	0.3
95.08602	1.8
98.98466	4.5
104.10743	100.0
105.07032	0.6
105.11061	0.9
107.08600	1.1
109.10140	0.3
119.08595	0.7
121.10165	0.8
125.00006	29.1
135.11674	0.5
163.01581	0.6
179.14407	0.7
184.07343	97.0
185.07622	0.8
258.11063	1.0
363.28943	0.5
405.30023	1.4
422.28540	0.4
447.49606	0.4
460.85245	0.4
469.27396	0.5
528.34540	7.8
529.35266	0.5
546.35559	30.5
547.35779	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00515	1.7
55.05510	5.8
57.03444	2.5
57.07079	2.4
60.08161	2.3
61.02917	5.5
64.25753	1.5
66.41378	1.8
67.05511	30.3
69.07076	7.0
69.69815	1.9
70.30225	4.0
71.05004	2.0
79.05500	18.2
81.07055	38.6
83.08627	3.7
85.02902	7.8
85.06538	2.0
91.03968	3.8
91.05461	10.3
93.07041	27.8
95.08614	30.2
97.02910	3.3
97.10185	2.6
97.72401	1.5
99.08157	2.1
104.10750	4.2
105.07029	10.5
107.08601	18.4
109.10168	20.5
111.11728	1.8
117.07021	3.6
119.08591	8.0
119.72822	1.7
119.73702	1.8
121.10148	19.7
123.11709	13.4
125.09605	1.6
127.03901	2.1
131.08562	11.0
133.10123	8.1
135.11707	15.9
137.13264	7.0
145.04970	1.8
145.10146	9.1
147.11711	8.4
149.13274	13.9
159.11708	8.0
161.13312	8.4
163.14803	11.6
165.12724	2.9
168.93655	1.7
173.13275	11.1
175.14786	2.4
177.16382	6.5
179.14275	3.4
184.07358	5.7
187.14859	6.4
201.16341	2.3
233.22581	2.2
243.21094	32.1
247.12572	1.9
247.99434	1.9
261.22131	100.0
262.22403	4.1
335.25772	12.5
353.22568	2.6
353.26895	36.0
405.30209	2.5
546.36707	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	546.3638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	9.6
57.03434	2.7
57.07069	2.8
60.08168	1.8
61.02915	8.7
67.05157	3.1
67.05505	48.3
69.07062	8.4
69.70179	4.8
73.02899	2.4
73.27032	1.9
76.10359	2.5
78.45442	1.9
79.05495	24.1
81.07056	44.3
83.08619	7.8
85.02898	7.0
91.03975	5.5
91.05476	12.5
93.06522	3.1
93.07046	34.4
95.04967	4.5
95.08611	43.7
97.02876	4.4
97.10216	2.4
99.08115	3.9
105.07037	10.0
107.08595	23.5
108.12825	2.2
109.10151	28.1
111.11716	2.9
115.70760	2.1
117.07002	5.4
119.08591	9.2
121.10128	26.9
123.11710	15.6
127.03930	2.9
131.08569	12.4
133.10118	12.4
135.11707	20.7
137.13223	8.9
145.10112	10.1
147.11688	6.2
149.13242	17.8
151.14867	3.7
159.11681	8.2
161.13228	9.2
163.14832	13.1
165.12750	2.9
173.13237	11.3
175.14862	4.4
177.16383	4.0
177.26242	2.1
179.14281	2.7
184.07359	7.3
187.14825	6.1
201.16393	4.2
233.22722	2.8
243.21063	31.1
261.22137	100.0
262.22211	2.3
279.23184	6.7
335.25769	28.5
353.26889	40.3
546.36346	4.6
549.04181	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	547.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07087	0.7
54.79475	0.6
56.96573	4.4
70.06596	2.5
72.08160	2.1
86.09706	8.0
87.10047	0.9
100.03966	0.6
102.21602	0.6
104.23830	0.7
133.48680	0.8
148.19611	0.8
152.42757	0.7
161.42307	0.7
163.03963	0.8
172.99126	1.3
174.95554	0.7
185.04166	0.9
191.00131	9.2
192.98087	1.4
201.27071	0.6
209.01219	19.5
210.99153	1.5
223.09413	25.3
227.02182	3.3
250.98711	0.8
253.00323	0.7
254.08127	2.9
257.26410	0.8
286.13959	1.1
339.01965	1.3
343.01300	2.0
345.03070	1.3
346.00250	1.0
349.00244	1.4
355.01178	1.6
357.02856	3.2
359.04492	1.8
360.01541	1.6
360.32257	0.7
361.02319	8.3
367.01181	13.6
369.02747	1.5
370.00040	2.6
371.04407	8.9
373.02344	6.0
374.02832	1.0
375.03842	9.9
379.03336	2.1
385.02271	44.6
385.14713	16.5
386.02710	0.9
387.03827	3.1
388.00937	1.1
389.05447	3.7
391.03287	3.8
393.04865	2.5
397.02481	5.6
403.03384	100.0
404.03708	3.6
405.04575	1.0
408.03934	1.9
409.02368	0.8
411.04263	1.1
415.03381	19.1
420.04538	0.8
421.04407	19.0
426.04953	4.3
427.03397	13.6
433.04446	8.4
439.03445	1.1
445.04462	22.9
451.03448	2.4
468.06082	1.9
469.04459	2.9
487.05368	7.9
505.06580	17.1
506.07361	0.9
528.08118	1.2
547.07782	5.1
547.19867	17.5
548.18182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32689	1.6
79.53547	0.4
81.07073	0.4
89.77576	0.3
98.22749	0.5
98.97578	0.4
105.07043	0.4
119.08630	0.5
121.10146	0.5
124.89459	0.4
125.39120	0.3
127.89488	0.4
130.79773	0.3
174.80649	0.4
249.02843	0.4
365.09958	3.5
380.12332	11.7
381.12772	0.7
487.18234	0.8
515.16309	1.4
546.33307	0.7
547.19427	100.0
548.19702	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	547.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	8.9
57.52334	0.9
69.95235	2.0
81.07049	6.2
84.96049	2.4
95.08643	1.3
97.96822	1.9
98.97585	46.3
110.97574	33.2
112.99131	1.3
116.98620	17.4
124.99140	3.7
128.98613	27.5
134.99680	2.8
136.99113	1.2
140.98566	2.6
143.00133	6.9
144.98109	1.5
146.99641	10.5
152.00298	1.5
152.98569	1.3
155.00177	3.2
158.99651	7.4
161.01230	4.9
170.99654	30.8
173.01245	3.7
177.00742	5.1
182.99690	6.1
186.99179	1.3
189.00702	27.3
201.00752	5.5
207.01888	1.4
211.10011	2.1
212.02299	1.3
213.00720	1.4
219.01697	2.8
228.85559	1.1
229.11142	1.1
231.01752	21.2
235.09982	1.1
237.02840	2.5
249.02835	66.6
253.11154	3.5
267.03885	8.3
270.97989	1.1
272.04459	5.3
291.03854	37.3
307.12073	2.6
325.13031	1.1
349.04193	2.0
355.14206	2.4
367.05301	1.7
367.14297	19.8
367.18863	1.5
388.82819	1.2
407.78476	1.1
487.18515	100.0
488.18817	4.1
516.42163	1.2
547.18890	6.0
547.34857	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	547.3609
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
55.05520	0.7
57.01848	0.4
57.03432	0.6
67.05503	5.2
67.96186	0.3
69.07068	0.9
69.17106	1.8
71.08630	0.5
71.97393	0.3
79.05502	0.7
81.07052	3.0
83.16301	0.3
89.06038	0.4
91.05507	0.9
93.07044	1.4
95.08583	2.0
98.22697	0.7
105.07045	0.9
107.08597	0.6
109.10175	2.7
119.08620	0.8
121.10150	0.5
133.10223	0.4
135.11772	0.4
147.11710	0.4
173.11774	0.7
195.09911	2.1
211.69426	0.4
229.14366	0.5
251.12587	1.9
319.22473	1.6
335.25934	0.5
375.25101	2.9
469.76849	0.4
509.85883	0.4
518.31354	0.4
547.36066	100.0
548.36334	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23715	0.1
58.34357	0.1
60.17326	0.1
62.32287	0.1
64.73611	0.1
67.43283	0.2
68.16052	0.1
69.30096	0.3
69.30492	0.6
95.34592	0.1
98.23398	0.3
135.04306	0.1
142.02771	0.1
160.03920	2.2
178.04962	1.4
179.46007	0.1
189.84071	0.1
198.08963	0.2
208.07558	0.3
212.07016	0.2
226.08606	2.1
236.06921	0.3
242.63911	0.1
248.93417	0.1
254.08105	100.0
255.08437	2.0
416.13394	8.9
417.13684	0.2
548.17615	26.1
549.17639	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.3
59.05003	8.5
62.16774	0.3
68.45226	0.3
69.03432	0.4
69.91177	0.8
73.06555	1.3
77.06046	0.6
84.08141	0.9
86.09692	0.4
87.04472	12.5
89.06035	11.8
94.73069	0.3
99.04460	0.4
103.03947	100.0
103.07575	7.1
104.04285	0.7
107.07066	0.9
111.82629	0.3
117.09122	0.6
119.07069	2.0
121.04988	0.6
121.08659	1.8
129.10255	0.8
131.07056	3.0
133.07608	0.5
133.08606	6.8
137.05937	0.5
147.06523	11.1
147.10156	3.0
163.09659	2.5
175.09692	1.2
177.11201	2.9
177.12399	0.3
191.09146	7.7
191.12749	0.4
207.12271	3.5
209.10310	0.4
219.12254	0.4
221.13933	0.6
235.11760	7.6
237.13075	0.4
251.14899	0.7
253.12730	0.4
269.16037	0.5
279.14374	2.1
297.15466	0.7
313.18103	0.4
323.16977	1.6
339.20065	0.5
341.18201	0.5
367.19485	0.6
427.25641	0.5
485.26068	2.4
531.26410	2.1
548.29547	1.8
549.19604	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00111	0.2
53.49858	0.2
56.05018	0.9
56.96562	0.4
58.06597	0.6
60.08169	6.3
67.05501	0.4
69.82826	1.0
71.07381	3.1
79.05475	0.5
81.07050	0.4
83.05021	0.3
86.05617	0.3
86.09711	32.7
91.05472	0.4
93.07036	0.5
98.98472	2.7
104.05341	0.3
104.10751	6.8
105.06989	0.5
108.47439	0.3
119.08588	0.3
121.10149	0.4
125.00007	19.3
136.93121	0.7
154.94206	0.9
172.95227	1.2
184.07349	100.0
185.07678	0.3
210.96817	0.6
228.97847	0.5
235.74785	0.3
255.21179	0.4
313.16254	0.3
333.17450	1.2
351.18430	1.9
365.06595	0.3
369.19452	0.7
469.16531	0.6
487.17706	3.8
500.85321	0.3
505.19241	0.5
510.19156	0.4
530.28876	1.5
548.29889	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	548.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.05035	0.9
57.03445	0.6
58.06621	0.4
60.08163	6.3
65.74034	0.4
69.03424	0.5
69.07055	0.5
71.07380	2.6
71.46178	0.5
79.38650	0.4
81.07078	0.6
83.20750	0.4
85.67068	0.4
86.09706	28.9
87.66488	0.5
91.05484	0.5
93.07077	0.6
98.98460	3.0
104.10738	5.9
105.07037	0.5
107.33688	0.5
120.96586	0.8
125.00005	21.9
127.03883	0.5
154.94319	0.5
164.00760	0.6
172.95256	0.9
179.05811	0.5
184.07341	100.0
237.00362	0.6
237.58316	0.4
249.09213	0.5
321.66193	0.4
365.06702	1.4
383.07581	0.5
387.32587	0.5
487.17679	0.7
505.18893	1.3
530.28772	1.1
548.30151	7.6
549.29749	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23056	1.3
53.03947	2.0
55.05520	11.0
57.03440	16.3
60.08157	1.4
61.02931	6.2
64.67831	1.3
65.03929	2.4
67.05506	32.8
69.03435	3.0
69.07074	10.5
69.19142	8.9
71.04996	3.7
79.05497	39.4
81.03397	3.0
81.07062	41.5
83.04977	2.9
83.08608	6.4
85.02898	4.4
85.06545	4.7
86.09708	3.0
91.05479	27.3
93.07046	52.9
95.04961	5.3
95.08607	35.8
97.02874	3.5
97.06532	4.2
97.10171	2.9
98.22595	2.4
99.08100	2.8
103.05445	1.5
105.07035	31.2
107.08595	30.0
109.06520	4.7
109.10159	12.4
111.08086	1.8
113.09628	1.9
117.07040	11.3
119.08584	22.6
121.10151	30.1
123.08058	2.5
123.11692	3.3
125.00002	2.8
125.09666	2.4
125.39505	1.3
129.07022	6.3
131.07024	2.1
131.08560	15.2
133.10127	27.1
135.11710	23.6
137.09569	3.1
143.08540	4.0
145.10155	13.3
147.11688	21.2
149.09587	2.5
149.13266	16.0
151.11238	2.3
157.10172	4.5
159.11728	15.6
161.13271	11.7
163.11095	1.5
163.14830	2.0
171.11693	5.5
173.13290	7.3
175.14868	6.0
177.12764	6.2
179.14131	1.6
184.07356	12.4
185.13226	7.1
187.14818	10.2
189.12735	2.1
199.14714	3.2
201.16370	3.7
203.14345	1.4
205.15887	6.0
219.17496	3.3
220.96317	1.4
229.14323	2.5
231.17371	1.7
231.21010	3.4
241.19525	14.8
259.20590	34.6
269.17511	4.6
277.21628	28.2
293.21024	2.8
313.37006	1.7
318.42639	1.5
333.24213	5.9
351.25311	100.0
352.25607	2.6
369.26706	2.4
441.91815	1.9
513.30328	3.2
573.55164	1.6
573.79938	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	13.5
57.03425	16.8
60.08172	4.0
61.02921	5.9
63.28429	4.1
64.31098	4.2
67.05502	41.6
69.07073	19.9
79.05488	45.8
81.07051	44.4
83.04975	4.9
83.08610	10.7
85.02853	7.6
85.06512	5.4
86.09710	11.1
91.05491	40.5
93.07046	58.7
95.04953	8.7
95.08607	45.3
97.02870	3.9
102.08009	3.8
105.07037	41.1
107.08595	37.6
109.10153	14.7
111.08124	6.9
115.78302	4.3
117.07004	12.2
119.08609	33.5
121.10131	37.9
124.99986	7.4
131.08580	22.4
133.10173	28.0
135.11678	21.6
143.08549	6.0
145.10135	19.2
147.11702	23.0
149.13249	13.3
153.95874	4.7
153.99324	4.4
157.10080	4.7
159.11728	21.6
161.13237	19.9
163.11102	4.2
171.11676	7.1
173.13211	10.7
175.14772	8.9
184.07365	33.9
185.13242	9.7
187.14815	10.2
199.14833	6.6
201.16422	4.9
205.15828	7.1
229.14258	8.3
241.19534	22.6
246.94315	3.8
259.20572	40.9
269.17636	4.6
277.21664	42.0
333.24252	4.7
351.25269	100.0
413.97610	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	548.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.3
56.05029	1.2
58.06602	1.6
60.08164	17.7
62.37368	0.5
67.05485	2.7
68.47433	0.4
69.07058	1.0
70.06541	0.5
71.07366	6.9
71.34403	0.4
79.05504	0.5
81.07047	3.1
83.00283	0.4
83.08594	1.1
86.09703	53.9
93.07040	0.9
95.08600	2.1
97.10161	0.5
98.98458	4.1
104.10738	96.1
105.07028	0.5
109.10153	1.4
125.00001	30.7
142.69843	0.5
145.02867	0.9
161.09709	0.5
163.01570	1.1
166.81410	0.5
174.98518	0.7
177.05475	0.7
184.07335	100.0
185.07713	1.0
193.30528	0.5
194.99017	0.6
197.11784	1.4
213.00127	2.0
215.12787	0.9
232.27834	0.4
254.08191	1.8
258.11105	1.5
365.30487	0.8
433.07095	0.5
507.25589	1.0
530.36102	8.2
548.37061	32.7
549.37073	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04203	0.1
50.30533	0.1
55.05505	0.3
56.05042	0.5
57.03435	0.2
58.06626	0.5
59.07391	0.2
60.08163	6.2
67.05509	0.6
69.07065	0.3
70.06575	0.1
71.07374	2.9
72.08154	0.2
79.05475	0.2
81.07064	0.5
86.09705	29.5
87.10025	0.2
88.11117	0.1
91.05481	0.2
93.07038	0.2
95.08595	0.3
98.98461	3.1
100.11259	0.1
104.10744	3.0
105.07027	0.1
109.10168	0.2
125.00000	21.1
143.01025	0.2
166.02701	0.1
184.07336	100.0
185.07675	0.7
258.11032	0.2
530.35840	1.0
548.37488	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	548.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23896	2.2
55.05502	14.1
57.03438	5.5
57.07063	5.7
61.02921	4.7
67.05508	46.7
69.07055	13.8
69.38879	5.2
69.39290	8.5
71.08630	4.2
73.02906	3.6
79.05495	9.2
81.07060	55.2
83.08625	10.7
85.02896	6.2
85.10155	3.6
91.03964	3.9
91.05499	9.9
93.07053	15.7
95.08604	43.6
97.02880	4.8
97.06538	4.7
97.10161	9.5
101.14862	2.2
105.07035	8.6
107.08615	7.2
109.10151	24.4
119.08595	6.9
121.10136	15.8
123.11694	16.0
125.00014	3.2
126.99439	2.6
133.10153	10.0
135.11722	9.6
135.95723	2.5
137.13281	4.7
141.12735	6.4
144.03418	2.3
145.10265	2.4
147.11690	6.0
149.13268	13.0
151.14806	5.0
154.96118	2.6
155.14386	4.4
161.13248	8.7
163.14856	10.1
165.16411	9.4
170.84068	2.4
175.14833	8.3
179.17944	5.7
184.07341	4.7
189.16393	4.7
245.22658	71.5
263.20880	5.5
263.23691	100.0
287.79758	2.5
337.27353	62.3
355.28513	8.6
516.06219	2.9
548.39508	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	549.1242
Annotation	Luteolin 3'-methyl ether 7-malonylglucoside
Peak:m/z	Relative Intensity
62.30088	0.2
66.73645	0.2
69.03429	0.4
81.03439	0.2
81.07067	0.2
85.02930	0.4
85.26640	0.2
98.22677	0.4
103.05460	0.4
117.07042	0.3
122.03643	0.5
131.04895	0.3
137.05984	9.5
143.04930	0.4
145.06512	0.3
148.05170	0.3
151.03903	1.5
153.01814	0.6
163.03917	0.3
163.07568	0.6
167.07019	0.9
173.05952	0.4
181.04980	1.4
191.07019	1.5
205.08675	0.3
242.96231	0.2
254.08208	0.6
255.08516	0.7
256.09714	0.9
258.05246	11.9
259.05649	0.5
286.04721	33.8
287.05005	0.9
301.07062	100.0
302.07343	2.8
357.13193	1.0
372.87308	0.2
387.14215	0.9
463.12506	1.8
489.14371	0.2
531.11493	0.4
548.36218	0.4
548.86188	0.3
549.12103	3.3
549.19611	3.8
550.19537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1242
Annotation	Luteolin 4'-methyl ether 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.21226	0.2
57.03385	0.2
61.02894	0.2
66.98500	0.2
69.03416	0.3
69.95831	0.8
72.92474	0.2
81.03380	0.5
81.07082	0.2
85.02911	1.1
97.02856	0.3
98.22720	0.3
99.04441	0.2
105.07034	0.3
109.02860	0.6
109.10146	0.2
127.03889	0.9
137.05937	0.5
139.03868	0.3
145.04944	0.3
153.01819	0.4
159.02798	0.4
186.88741	0.3
225.11186	1.3
254.08096	0.8
255.08420	0.7
256.09695	1.4
258.05215	14.4
259.05585	0.4
286.04703	32.7
287.05063	0.9
301.07050	100.0
302.07379	2.6
549.12030	2.0
549.18829	0.4
550.19220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03425	0.6
65.03925	1.3
67.05521	0.3
68.98798	0.3
69.03443	1.9
69.29379	1.1
69.29781	0.7
69.88951	0.3
73.02885	0.3
79.05490	0.8
81.03401	1.5
85.02912	3.2
85.03374	0.6
87.43281	0.4
91.05472	1.7
93.03393	0.5
94.04196	2.3
95.04944	0.8
97.02879	1.3
99.04456	0.4
103.05466	4.5
105.03414	0.4
105.07014	0.7
107.04942	1.2
108.02068	0.4
109.02886	0.6
109.03776	0.3
109.06499	0.3
109.12751	0.3
110.03659	0.6
111.04492	0.4
112.63658	0.3
115.05465	1.6
117.07005	1.7
118.04145	1.0
119.04875	0.5
119.08544	0.4
122.03644	6.4
123.04438	0.4
125.05991	0.4
127.03905	0.4
129.06990	0.4
131.04945	4.0
133.06494	1.2
134.84042	0.4
137.05974	100.0
138.06322	0.9
143.04938	3.6
144.05772	0.4
145.06451	2.1
147.04410	0.6
148.05197	2.2
149.05952	0.6
151.03909	15.2
151.04982	1.0
153.05473	1.1
155.06062	0.8
161.06018	0.9
163.07539	4.7
165.05463	0.4
167.07037	11.0
171.06517	0.7
173.05980	4.8
175.07513	1.8
176.04706	0.6
177.05528	0.5
179.07082	0.7
181.04959	16.4
181.08456	0.5
187.07555	0.6
191.07022	17.7
193.08606	0.3
203.06982	1.3
204.15764	0.3
205.08557	2.4
207.10040	0.3
209.08025	0.4
233.08144	1.3
235.09618	3.7
263.09174	1.6
265.08719	0.4
272.20654	0.4
286.34036	0.4
314.70911	0.4
325.10745	0.5
327.12299	0.7
355.11758	0.8
357.13318	12.6
369.13217	0.6
378.60068	0.4
387.14359	9.0
517.18274	1.1
519.18628	0.6
549.19678	40.6
550.19818	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2314
Annotation	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.72438	0.3
69.25783	0.7
69.26196	1.0
79.05469	0.3
85.02909	0.3
139.91325	0.3
155.39369	0.3
162.97646	0.3
184.07408	0.9
185.04340	0.5
203.05275	0.8
254.08167	1.0
255.08539	1.7
256.09778	2.2
325.17743	0.9
351.14862	0.4
352.15189	1.0
359.17029	0.8
369.16547	0.7
383.17075	1.5
387.17841	7.2
420.62238	0.4
429.17944	0.6
432.51135	0.4
487.13571	0.5
488.14612	1.7
505.24298	1.2
531.22491	0.6
549.23059	100.0
550.23938	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	549.2466
Annotation	CHEBI:69788
Peak:m/z	Relative Intensity
54.20594	0.5
69.03502	0.5
97.97640	0.5
111.19088	0.5
128.86354	0.4
133.10130	1.1
136.07616	0.5
137.06012	1.7
144.04482	0.6
172.03966	0.7
198.61194	0.4
199.24484	0.5
204.06578	0.6
206.47411	0.5
254.08191	2.8
255.08505	3.0
256.09686	10.3
549.24640	100.0
550.19061	2.3
550.26556	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	550.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89869	1.8
55.38325	1.7
69.03423	4.5
69.48484	7.2
79.05452	2.1
85.02905	16.4
97.02879	4.0
97.26939	1.8
107.04900	2.9
112.43082	2.2
117.03333	3.2
131.04951	2.2
135.04414	12.7
137.71620	1.9
139.03847	2.6
145.02855	6.9
147.04393	5.8
149.02422	2.1
153.05469	100.0
154.05843	2.1
163.03903	82.5
163.80241	1.8
175.03937	2.5
177.01836	4.8
177.05452	2.0
181.04982	3.4
195.06535	51.5
195.08328	2.7
203.03394	47.7
205.04935	4.8
215.01599	2.0
215.03389	9.3
217.73123	1.9
220.62128	1.7
229.05064	2.3
231.02925	9.3
233.04295	4.0
256.09668	11.7
261.03934	7.1
275.05414	2.8
279.02374	2.1
279.04871	10.7
291.04971	15.4
303.05276	2.2
321.05994	12.2
339.07104	69.9
371.09903	10.1
550.18884	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	550.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37243	0.2
59.14330	0.1
70.61360	0.2
72.54798	0.2
91.05456	0.2
106.06511	0.4
107.04941	0.2
116.04977	0.9
119.04890	0.4
120.04395	0.2
134.05992	1.7
135.04407	1.4
137.05943	0.6
140.03786	0.1
144.04471	0.2
146.05959	0.2
155.24321	0.1
162.05501	5.7
219.90175	0.1
241.07373	1.2
256.09671	100.0
257.09991	3.2
392.97403	0.2
418.14951	0.5
550.19183	24.2
551.19580	1.2
558.67023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04409	0.2
70.23950	0.5
72.08115	0.4
74.06071	0.3
86.90902	0.4
94.93021	0.9
106.06511	0.4
112.89571	0.6
116.04944	0.4
118.08624	0.3
119.04894	0.5
134.05061	0.2
134.06001	1.8
135.04422	1.4
137.05948	0.4
144.04366	0.4
146.06013	0.3
160.94057	0.2
162.04176	0.3
162.05518	4.9
190.91452	1.0
192.54269	0.2
202.89015	0.4
205.44189	0.2
207.99655	0.2
208.01360	0.7
208.97273	2.2
241.07382	1.0
256.09680	100.0
256.96146	3.2
257.09976	2.5
268.00998	0.2
273.32068	0.2
298.97131	0.2
300.86868	1.0
302.86609	0.3
326.84900	0.4
326.96686	0.5
335.17981	0.2
344.86011	0.3
388.04788	0.2
418.14899	0.5
550.19220	25.5
550.99628	0.3
551.19666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09798	0.2
56.05033	0.7
58.06611	0.5
59.07387	0.2
59.50118	0.2
60.07866	0.4
60.08167	5.9
70.95008	0.3
71.07378	2.9
74.32606	0.2
79.05522	0.2
80.48568	0.2
81.07067	0.3
86.09708	27.2
93.07080	0.2
95.08558	0.2
98.98470	2.7
104.10744	5.7
125.00005	19.4
147.09503	0.2
184.07346	100.0
185.07671	0.8
388.78448	0.2
492.26566	0.4
514.28644	0.2
532.30341	1.7
550.31488	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	550.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61325	0.2
55.05516	0.5
55.35744	0.2
56.05022	0.8
58.06613	0.5
59.07386	0.2
60.08163	8.0
61.06605	0.2
61.28290	0.2
67.05515	0.5
70.16330	0.5
71.07374	3.5
71.08627	0.3
72.90857	0.2
76.01605	0.2
81.07061	0.3
86.09702	33.4
87.10039	0.4
98.98461	3.5
104.10741	14.9
105.11037	0.2
107.08509	0.2
109.10142	0.2
124.99999	22.4
179.25182	0.2
181.86420	0.2
184.07333	100.0
185.07677	0.9
258.10901	0.3
274.48990	0.2
293.21225	0.3
320.65106	0.2
532.30438	1.7
545.66443	0.3
550.31378	12.0
551.28027	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	550.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57329	0.2
56.05027	0.6
57.66708	0.2
58.06602	0.4
60.08166	7.1
62.21789	0.3
67.05490	0.4
67.85598	0.3
68.87627	0.2
69.57496	1.1
71.07372	3.5
75.82802	0.3
81.07076	0.4
85.02977	0.3
86.09705	31.4
98.98456	2.9
104.10747	6.0
107.08616	0.3
119.25744	0.3
125.00002	20.2
145.10155	0.3
157.58185	0.3
184.07336	100.0
185.07668	0.7
210.26692	0.3
227.60323	0.2
239.09494	0.4
532.30530	0.9
550.31348	7.9
551.28424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31042	0.5
54.65760	0.5
55.05510	0.7
56.05035	0.6
60.08163	7.6
63.70910	0.5
67.05502	2.2
69.07037	0.6
71.07384	3.1
79.05466	1.3
81.07052	2.0
86.09707	29.5
88.97495	0.7
93.07033	1.2
95.08616	1.3
98.98466	2.6
104.10744	9.8
107.08617	0.7
109.05932	0.5
114.68355	0.7
125.00002	19.8
161.13345	0.6
172.95224	0.5
184.07344	100.0
185.07614	0.6
200.32642	0.4
261.21997	0.8
279.23166	0.9
335.25882	0.8
353.26785	2.9
441.23672	0.6
471.18204	0.6
500.31296	1.3
518.32422	9.1
550.22778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54128	0.2
56.05022	0.5
57.03424	0.3
58.06603	0.4
59.07395	0.2
60.08162	5.7
67.05495	0.9
69.07085	0.3
71.07381	2.5
72.58535	0.2
79.05502	0.5
81.07057	0.7
83.08618	0.3
86.09709	27.7
91.05492	0.4
93.07044	0.6
95.08593	0.6
98.98467	2.5
104.10100	0.4
104.10748	5.4
125.00002	19.7
149.97411	0.3
173.70470	0.2
184.07343	100.0
185.07645	0.4
335.25717	0.3
353.26694	0.4
500.31302	1.0
518.32428	7.5
519.32440	0.3
550.29242	0.3
567.47894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88409	0.3
55.05508	1.8
56.05033	1.3
57.03434	0.6
57.07066	0.9
58.06578	1.5
59.07380	0.4
60.08166	16.5
67.05495	1.0
68.74975	0.3
69.07066	2.0
70.06599	0.4
70.66895	0.2
71.07372	5.7
71.08619	0.5
81.07046	1.2
83.08627	1.4
86.09706	46.6
86.46526	0.3
87.10011	0.4
93.06084	0.2
93.07027	0.5
95.08607	1.3
97.10171	0.7
98.23515	0.5
98.98465	3.5
100.88885	0.3
104.10744	93.7
105.11065	0.5
117.96139	0.2
121.10195	0.4
123.11720	0.3
125.00004	26.6
135.11748	0.3
136.19325	0.2
154.94186	0.9
163.01549	0.7
166.02800	0.3
172.95261	1.0
184.07341	100.0
185.07663	0.8
189.54921	0.3
206.50238	0.3
210.97745	1.5
256.09665	2.3
258.11069	1.2
367.32205	0.7
385.60452	0.3
473.30664	0.4
476.21912	0.5
515.39465	0.5
532.29791	0.6
532.37592	8.5
533.37952	0.4
550.25415	1.0
550.38654	34.3
551.39264	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.387
Annotation	1-O-(cis-9-Octadecenyl)-2-O-acetyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.13411	0.3
55.05502	0.4
56.05036	0.6
57.03445	0.3
58.06620	0.5
58.31081	0.3
60.07874	0.4
60.08164	6.2
60.59004	0.3
69.07062	0.6
69.74483	0.7
69.74865	0.6
71.07372	3.0
81.07038	0.3
86.09710	26.6
90.15480	0.3
97.10200	0.5
98.22724	0.4
98.98463	2.3
104.10740	2.5
109.10160	0.4
122.52853	0.3
125.00007	20.1
177.05432	0.5
183.37387	0.3
184.07346	100.0
185.07701	0.9
196.04019	0.3
232.84940	0.3
256.09662	2.1
258.11066	0.4
420.67679	0.3
515.39142	0.8
532.37378	0.9
541.03546	0.3
550.18762	0.4
550.38263	3.2
550.44629	0.3
551.26666	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.0
57.03446	2.4
57.07069	4.8
60.08161	5.4
62.26970	1.6
67.05496	4.5
69.06761	1.5
69.07068	9.4
71.07375	3.0
71.08620	2.8
79.05493	1.9
81.07058	8.8
81.49292	1.5
83.08631	6.0
84.31237	1.4
85.10191	2.3
86.09715	24.7
93.07041	4.4
95.08620	7.7
97.10178	4.3
98.23467	3.0
107.08553	2.3
109.10164	5.4
115.44379	1.6
121.10160	4.9
125.00017	15.5
129.07011	1.6
135.11745	2.9
156.92393	1.5
184.07352	100.0
344.72702	1.8
385.33115	6.1
385.38086	1.5
423.34750	5.1
441.35696	5.1
478.58920	1.5
497.38284	6.6
515.39478	27.0
550.38580	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	551.1037
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.8
55.01873	1.8
57.03440	1.2
61.02928	0.8
65.03924	0.3
68.99792	1.5
69.03429	6.5
69.42330	0.7
71.04993	0.8
73.02912	1.6
81.03416	8.7
83.01345	0.3
85.02904	11.4
85.56098	0.2
86.09682	0.3
86.34106	0.2
87.00826	5.6
91.03952	0.5
91.05473	0.2
93.03404	0.2
97.02890	3.8
98.23422	0.3
99.04462	2.5
105.01868	3.0
109.02876	6.3
111.00809	0.8
117.01858	1.2
120.08094	0.3
121.02857	1.2
123.04453	0.3
127.03911	9.9
129.01834	0.8
135.04439	0.2
137.02342	3.0
137.03371	0.4
145.04951	3.5
145.06146	0.3
145.06569	0.1
147.02902	0.7
149.02290	0.3
153.01811	3.7
159.02896	4.8
161.05969	0.2
162.05447	0.3
163.03922	0.6
165.01840	2.2
166.02649	0.2
173.05913	0.4
183.02876	0.8
183.04308	0.3
187.03906	0.3
195.02888	0.3
201.05435	2.0
205.04890	0.2
213.03975	0.3
219.06471	0.4
229.04961	3.7
231.05032	1.3
247.05948	0.8
256.09686	5.6
257.04443	2.8
257.10007	3.4
274.04712	0.9
285.03955	1.4
303.04974	100.0
304.05267	1.9
312.18860	0.2
345.06067	0.4
349.32687	0.2
417.95215	0.2
491.28870	0.7
550.18988	0.9
551.18805	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
58.99577	0.7
62.73819	0.5
63.57254	0.6
63.72535	0.7
71.47072	0.7
79.05482	4.0
83.08634	1.2
84.04512	1.1
87.81079	0.6
88.02216	16.2
88.03991	0.7
91.05479	2.7
95.04952	1.6
98.11939	0.6
103.05474	6.9
104.06290	0.9
105.07030	28.4
107.04973	5.1
107.08586	1.7
115.05453	5.9
117.07031	1.7
118.04137	3.5
119.04930	0.8
120.08088	1.7
121.06520	1.2
123.04425	13.5
125.06007	0.6
125.09645	1.0
128.06204	0.8
130.03236	0.7
130.04118	1.2
131.04942	10.4
132.05728	6.2
133.02708	0.8
133.06490	38.9
134.02716	9.2
135.04430	2.9
137.05983	1.9
143.04976	1.3
143.06052	2.7
145.06483	2.3
146.03572	0.9
147.04416	1.9
148.05164	1.1
149.05983	1.9
152.07068	7.2
160.05249	3.2
161.05974	86.8
162.06461	1.1
163.07530	1.5
164.06967	0.7
165.05423	0.7
167.07040	8.6
173.05991	10.8
174.03947	0.7
175.14893	0.7
176.04657	2.9
177.05475	2.8
178.06145	0.6
178.07799	1.1
179.07100	1.1
180.07834	1.3
190.08661	3.2
191.07022	29.7
192.07803	12.4
193.08598	100.0
193.46889	0.6
194.08957	1.3
206.07170	0.7
207.06392	1.1
207.08109	1.2
223.04245	1.8
223.13307	2.8
224.05043	0.7
225.05806	0.7
226.06528	0.8
234.06801	1.1
235.07487	2.1
239.10603	0.8
247.67628	0.8
263.06836	0.8
267.10184	1.3
277.08643	1.2
295.09634	7.3
296.10040	0.7
296.24899	0.7
297.07541	0.9
312.09015	1.9
312.12469	1.5
315.12323	0.8
325.10577	0.7
327.12244	15.4
344.14880	4.5
355.10672	3.7
378.13354	0.9
399.09549	1.1
419.15955	1.2
465.16605	1.9
507.17972	9.9
551.16913	8.8
551.25989	23.5
552.17273	0.8
552.44043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.5
56.26300	0.4
58.99594	1.0
64.65653	0.4
69.03426	0.5
70.06599	0.6
70.38776	1.1
72.89717	0.4
77.03938	0.7
79.05500	2.9
80.30621	0.4
84.04499	0.5
84.08150	0.6
88.02216	15.9
90.04711	0.6
91.05484	3.1
95.04980	2.0
98.23444	0.6
102.04761	0.5
103.05465	6.4
104.06271	0.7
105.03422	0.5
105.07028	27.4
107.04961	4.8
115.05460	7.2
117.07015	1.8
118.04163	4.0
119.04932	0.9
119.08538	0.5
119.70667	0.5
121.06527	1.6
123.04424	15.0
125.09642	0.6
128.06198	0.9
130.03220	0.9
130.04129	1.4
130.05022	0.9
131.04919	9.6
132.05719	5.9
133.06490	33.9
134.02708	8.5
134.03673	0.7
134.06882	0.8
135.04407	3.3
137.05962	1.6
143.05035	0.8
143.06068	2.9
145.06494	1.9
146.03574	0.8
147.04431	1.8
148.05219	2.0
149.06018	2.4
151.07542	0.6
152.04834	0.4
152.07080	7.5
155.07100	0.6
160.04031	0.5
160.05150	2.5
161.05978	82.6
162.02266	0.7
162.06430	1.3
163.07597	1.3
164.07005	0.5
167.07048	9.1
173.05986	9.0
174.03984	0.7
175.14943	0.5
176.04845	2.4
177.01172	0.5
177.05490	2.8
179.07008	1.4
179.08556	0.9
180.07816	1.0
181.08546	0.8
183.06523	0.6
189.05403	0.5
189.06992	0.5
190.08595	2.1
191.07030	26.7
192.07811	9.6
193.08600	100.0
194.08971	1.8
205.04755	1.8
207.06441	0.6
207.08122	1.0
223.04219	1.5
223.07681	0.6
224.08304	0.7
226.06659	0.6
231.08177	0.6
234.06970	0.7
235.07529	1.7
239.10722	0.6
249.09180	0.9
251.07114	0.7
263.06924	0.7
266.08737	0.7
267.10144	0.5
277.08591	0.7
295.09631	7.2
297.11127	0.4
301.10681	0.6
312.09149	1.0
312.12259	1.3
315.12308	0.6
325.10818	0.6
327.12256	13.0
328.12552	0.6
344.14850	3.0
355.10950	3.2
389.12970	0.6
399.09756	1.4
419.15933	0.9
465.16782	1.5
507.17975	8.2
508.17984	0.5
516.77557	0.6
533.16321	0.7
551.17023	6.8
551.28552	0.7
552.21387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47419	2.2
58.10480	2.4
59.68411	2.3
69.85972	2.1
80.84319	2.5
85.41472	2.1
103.67183	2.3
139.24179	2.7
140.82240	2.4
172.95219	2.4
184.07353	3.2
198.97418	5.7
256.09760	8.9
256.26563	6.4
257.10089	12.9
360.27017	2.5
454.18445	2.9
472.19107	2.5
551.26288	100.0
552.26532	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	551.2832
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
52.49023	0.2
60.08164	0.2
61.57719	0.2
65.45507	0.2
69.20886	1.1
86.09725	0.7
91.05432	0.2
98.22708	0.5
122.57678	0.2
125.00011	0.7
134.66936	0.2
153.83435	0.2
184.07341	2.2
185.04193	0.2
185.07687	0.4
195.10402	0.2
227.80066	0.2
259.07993	0.5
331.10071	0.3
348.34079	0.2
389.23029	2.3
408.66953	0.2
551.28247	100.0
552.28552	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	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
55.19688	0.7
69.86038	0.6
71.02191	0.6
71.79945	0.7
78.91209	0.7
79.05521	1.0
157.38361	0.6
203.05334	0.9
224.67964	0.7
259.07898	2.0
389.22925	2.1
397.07211	0.8
551.28265	100.0
552.28668	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	551.283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57424	0.5
69.71603	2.2
86.09715	1.3
98.23419	0.7
125.00031	0.8
151.77637	0.6
184.07285	4.2
187.09380	0.6
203.05336	0.6
206.42929	0.6
259.07935	0.9
277.35794	0.7
308.74625	0.7
389.23099	2.5
526.45361	0.6
551.28278	100.0
552.28436	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	551.283
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	2.5
60.63535	0.6
69.97565	1.5
74.29385	0.7
79.05466	0.7
81.07050	0.8
86.09708	10.5
87.10039	1.9
95.28855	0.6
97.10164	0.9
98.98455	1.6
104.10745	5.7
105.11079	0.9
122.12391	0.5
125.00011	8.2
164.92041	0.8
182.07335	0.6
184.07349	35.1
185.07698	4.5
220.61987	0.7
296.69852	0.7
317.57077	0.7
372.42465	0.7
389.23004	2.3
551.28217	100.0
552.28546	4.2
559.72656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2831
Annotation	Gln Phe Glu Lys
Peak:m/z	Relative Intensity
71.02470	0.5
102.61824	0.4
103.58198	0.5
123.04221	0.8
169.04720	1.0
219.22916	0.4
236.08479	0.5
328.07913	0.5
337.16330	0.7
365.15701	4.1
439.15366	0.5
526.56561	0.5
551.28271	100.0
552.28778	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	551.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
54.35548	0.3
57.82908	0.3
67.05502	0.6
69.07059	0.6
69.13622	2.4
79.05487	0.9
81.03412	0.9
81.07063	1.0
83.08628	0.4
86.09694	0.9
91.05464	0.5
95.04967	0.5
95.08588	1.0
97.02882	1.5
104.10704	0.9
105.01821	0.7
105.07023	0.7
107.08615	0.5
109.02857	1.9
119.08568	0.9
127.03922	1.7
131.08551	0.6
133.10117	0.6
135.12921	0.4
145.10170	0.6
147.11696	0.5
156.59859	0.5
157.46211	0.4
161.09694	0.4
161.13269	0.6
161.32214	0.3
175.14803	0.7
184.07307	1.9
185.04370	0.4
203.05220	0.8
259.07895	0.7
283.70920	0.4
285.22098	1.4
289.44519	0.4
300.88132	0.3
318.53418	0.4
368.57065	0.4
368.71146	0.4
383.32315	0.4
389.23004	1.2
533.27661	0.6
551.28247	100.0
552.28723	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	552.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70752	1.0
55.01868	1.7
58.99590	5.4
69.07039	1.1
69.91466	2.8
78.04690	1.1
79.05488	4.2
81.07058	1.9
85.02911	1.5
86.99068	6.3
91.05454	5.8
93.07043	3.6
95.04991	1.7
95.08601	1.6
103.05466	13.7
104.06263	3.7
105.03432	1.5
105.07032	12.7
107.04961	6.7
107.08596	4.9
114.04670	1.6
115.05461	5.4
117.00109	2.9
117.03393	1.9
117.07033	4.2
118.04150	5.1
119.04961	3.2
119.08592	1.4
121.06509	2.3
121.10146	3.4
123.04427	14.2
123.08242	1.2
127.05440	1.0
128.06239	1.0
129.07019	1.0
130.04163	2.9
131.04933	34.3
132.05708	38.0
133.02882	1.0
133.06493	17.0
133.10126	3.1
135.02701	1.0
135.04427	4.6
135.11716	11.5
137.06009	3.8
139.02139	2.7
140.04701	1.8
145.06476	5.1
147.04402	5.6
148.05231	6.7
149.05992	6.8
150.01352	2.4
151.02087	1.1
151.07539	1.4
151.60182	1.0
152.07115	1.6
153.05478	3.7
159.04388	2.2
160.05200	18.7
161.05986	45.4
162.01331	5.8
162.06630	1.1
163.02124	4.5
163.03767	1.2
163.07555	8.5
164.07080	2.6
165.03755	6.4
165.05475	2.3
167.07045	21.4
173.05984	15.7
175.07587	2.3
175.14835	2.5
176.04729	6.4
177.03862	1.4
177.05457	18.3
177.06949	1.5
177.16412	4.3
178.07799	1.3
179.01607	1.1
179.07040	4.1
179.08546	1.1
180.07788	2.1
181.03188	3.9
181.08656	2.9
184.01917	8.6
189.07098	1.7
190.00858	3.3
190.08583	7.1
191.01604	2.9
191.05499	0.8
191.07024	59.2
192.07819	95.3
193.03217	14.8
193.04854	2.2
193.08600	31.4
199.04248	9.4
205.03223	1.2
205.08630	4.1
206.07181	1.1
207.06538	4.1
207.08154	2.5
208.01932	2.3
208.04509	1.1
209.02655	10.0
209.07999	1.4
221.09662	1.6
223.04239	100.0
224.05011	57.7
224.08360	1.7
225.05780	9.0
225.09070	1.0
234.06870	1.5
235.07559	3.0
249.09200	2.5
252.07858	1.3
253.08566	1.1
263.07132	1.5
267.10156	3.4
285.11115	1.3
295.04214	1.8
295.09613	14.8
296.10226	1.1
313.11182	1.8
327.06784	3.7
327.12274	37.5
328.12653	1.6
329.08511	1.3
347.09445	13.5
359.09427	18.1
376.12192	18.8
400.08286	1.8
420.14890	3.5
431.11664	1.6
448.14243	72.3
449.14053	1.6
457.43564	1.0
466.15219	4.7
508.17502	1.8
535.12201	1.2
552.15387	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
58.99584	12.4
69.03422	1.9
69.22341	5.7
77.03946	1.1
78.04751	1.1
79.05496	4.4
79.77296	0.9
86.99062	9.3
89.00630	1.2
90.04688	1.2
91.05471	8.4
93.07050	0.9
95.04948	2.4
97.02916	2.0
98.23428	1.9
103.05462	15.6
104.06278	3.1
105.07029	29.6
107.04959	9.9
115.05450	10.2
117.00087	7.3
117.07029	7.4
118.04172	7.5
119.04939	3.6
120.05776	1.0
121.06503	4.9
123.04420	26.6
123.05264	1.6
123.08039	1.1
128.06223	2.7
129.06950	1.9
130.04146	3.7
131.04926	38.6
131.05898	2.0
132.04681	1.7
132.05701	35.1
133.06493	34.8
135.04416	6.6
137.04240	1.2
137.05981	4.0
139.02151	6.0
143.05019	1.6
143.06058	4.1
144.05724	1.2
145.06485	6.7
146.03679	1.3
147.02650	1.7
147.04405	8.2
148.05206	5.6
149.05954	8.6
150.01323	2.1
151.07509	1.3
152.07054	8.4
153.05450	2.8
155.07068	1.2
159.01144	1.5
159.04456	2.5
160.05176	13.9
161.05972	81.3
162.01323	5.4
163.02148	3.2
163.03876	2.2
163.07520	8.6
164.07048	1.3
165.03665	6.1
165.06989	1.1
165.09163	1.4
167.07043	18.7
171.14778	0.9
172.07666	1.4
173.05974	26.2
175.02310	1.0
175.03923	1.1
175.07500	1.5
176.04666	7.6
177.05460	13.6
179.01595	1.3
179.07137	4.9
179.08533	1.9
180.07793	3.2
181.03340	1.2
181.04996	2.5
181.08594	2.5
181.12230	1.9
183.06509	1.1
184.01910	6.6
190.00859	3.7
190.08698	5.1
191.01582	1.6
191.07024	84.6
192.07805	76.1
193.03198	19.7
193.08589	100.0
194.09192	2.8
196.08768	1.4
199.04257	7.2
202.07773	1.1
205.03267	2.8
205.08681	1.9
206.07248	1.1
207.06509	4.2
207.08176	2.2
208.01904	4.3
209.02718	6.9
209.08049	2.1
221.09561	1.5
223.04221	91.0
223.13292	11.0
224.05000	51.3
224.08296	2.4
225.05739	13.8
235.07568	3.2
237.05493	1.5
237.09103	1.6
238.03888	1.1
239.10736	2.5
249.09000	1.3
251.07191	2.0
252.07950	1.5
253.08626	1.7
263.06876	1.9
265.08832	1.0
266.09378	1.5
267.10181	5.0
277.07605	1.4
284.10535	1.5
295.09607	12.6
309.11194	1.5
315.12418	1.4
327.06900	2.3
327.12253	33.3
347.09464	15.1
359.09521	21.0
376.12143	22.3
400.08136	6.1
420.15042	2.5
448.14258	27.1
449.13113	1.2
466.15231	3.1
535.12598	4.0
552.15271	42.1
552.23450	1.7
553.15631	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	552.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.3
51.48131	0.2
55.71409	0.2
58.33906	0.2
59.18255	0.2
70.05138	0.6
77.03929	0.5
79.05495	3.3
94.29134	0.2
95.04979	1.1
103.05467	2.2
105.07034	100.0
106.07384	1.4
109.59827	0.2
122.09672	55.9
123.10002	0.7
127.99565	0.2
219.34943	0.2
237.00571	0.4
256.09702	2.6
257.10022	1.7
258.10257	1.8
398.56754	0.2
536.52795	0.2
548.84515	0.3
552.19922	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24173	2.1
58.00071	2.4
65.37263	2.2
77.26449	2.0
79.05509	2.5
79.73750	2.2
81.07054	3.5
86.09730	4.3
88.31057	2.5
102.92633	5.0
104.10761	5.0
118.92096	5.0
119.08701	1.9
136.93117	46.7
151.41557	2.2
154.94182	87.5
161.96338	2.6
172.95251	96.6
177.95813	6.6
179.97363	7.6
184.07341	7.7
190.96297	32.8
192.95802	7.7
195.96861	9.8
197.98393	22.5
198.96815	2.2
210.96808	40.6
212.98381	5.0
213.97890	2.4
214.08382	2.3
215.99399	12.1
228.97858	50.8
233.98412	2.9
246.98933	5.4
251.99519	3.0
254.00983	2.8
272.02170	3.5
313.20456	6.6
331.21692	4.3
393.17191	7.5
431.18756	12.1
436.21378	6.5
438.76785	2.1
449.19754	97.6
450.20111	4.0
467.20929	13.4
472.21268	3.9
490.22324	7.9
491.20825	7.4
492.24030	100.0
493.23914	2.9
510.24887	4.5
533.26636	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	552.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87766	3.0
55.05500	12.3
57.03432	9.4
57.65541	2.7
59.04980	2.8
67.05502	12.4
69.03433	49.2
69.07063	5.5
70.06596	4.2
71.04997	4.4
73.02921	3.9
79.05481	17.2
81.03422	5.2
81.07052	19.1
81.57526	2.6
83.04983	12.4
83.08619	42.1
83.23779	2.9
84.08162	2.4
85.02901	37.5
86.09694	5.8
87.04463	30.7
91.05478	8.0
93.07047	17.6
95.04975	7.8
95.08600	20.8
97.02887	47.8
97.06529	16.0
99.04437	12.8
99.08060	3.1
105.07029	15.9
107.04953	6.5
107.08595	100.0
109.06528	12.8
109.10165	69.0
111.08081	5.2
115.03924	27.2
119.08585	26.7
121.10127	19.9
123.08067	29.9
125.05994	21.0
125.09636	98.5
130.30693	2.6
131.08513	3.0
133.04962	27.8
133.10132	11.9
135.11688	51.8
137.05956	9.2
137.09631	6.7
138.10382	7.4
139.07529	3.6
141.05437	4.3
144.04356	3.1
145.04955	3.7
145.10141	7.9
147.08023	14.2
147.11664	3.2
149.05980	3.4
149.09581	5.6
151.07542	17.3
153.12755	9.3
159.11707	16.3
163.11168	27.1
165.09097	22.0
166.08643	2.6
167.07043	13.2
169.06682	2.5
172.03857	12.7
173.04329	8.2
175.14842	7.2
177.12740	14.4
177.16345	16.3
181.12244	54.4
187.11180	4.6
189.12720	7.0
190.04988	3.5
190.53017	2.6
204.06616	18.1
205.06895	12.2
205.12199	28.7
207.13783	54.4
208.14226	3.1
223.13275	46.4
240.33218	3.0
241.14421	12.2
307.09772	4.0
325.10721	6.2
358.14896	7.9
552.27155	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	552.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73390	0.5
50.93750	0.5
51.12497	0.7
55.05504	4.4
55.18684	0.5
57.03428	0.8
58.38542	0.6
67.05493	1.1
69.03432	4.1
70.06591	0.8
71.04993	1.1
71.47092	1.0
79.05495	3.1
81.03378	0.6
81.07030	1.5
83.04971	3.1
83.08118	1.3
83.08618	25.9
85.02888	2.6
87.04467	1.1
88.02208	1.4
91.05464	2.6
93.07030	3.1
95.08598	3.8
97.02895	13.2
97.06510	0.9
99.04440	3.3
105.07043	4.7
106.07362	1.1
107.08589	42.1
109.06529	1.0
109.10140	2.7
115.03932	1.0
116.99802	0.5
119.08568	6.0
121.06514	0.8
121.10140	5.9
123.04436	1.1
123.08064	1.7
125.06013	1.9
125.09631	29.8
131.04939	0.9
131.40288	0.6
133.04941	0.9
133.06482	2.5
134.06871	1.2
135.04468	0.7
135.10753	1.0
135.11691	12.1
137.09593	2.8
139.07509	1.3
145.10121	2.1
147.08057	5.2
153.12738	4.8
159.11696	6.3
161.06003	4.9
162.06342	3.3
163.11186	8.0
165.09134	7.4
167.07025	1.6
175.14841	1.6
177.12772	3.5
177.16348	2.7
181.12234	23.4
187.11206	1.2
191.07031	1.2
192.07431	1.9
193.08574	6.0
194.08910	3.7
195.13776	1.8
203.50497	0.6
205.12221	14.3
223.13281	100.0
224.13652	2.1
328.12375	1.0
336.47440	0.6
471.75226	0.6
552.17505	1.1
552.25543	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	552.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.6
56.05018	2.0
57.07087	0.6
59.56649	0.5
60.04525	8.3
67.05506	6.3
68.19395	0.6
69.07074	6.8
70.02953	1.3
70.06583	4.1
71.04985	1.7
72.04520	1.5
79.05479	2.3
81.07062	6.3
82.06602	0.9
83.04977	1.1
83.08614	2.9
83.76152	0.6
84.04484	0.9
85.02865	0.7
85.06542	0.9
86.06064	1.1
86.09705	1.2
91.05450	1.7
93.07062	3.1
94.06577	0.7
95.08607	4.9
96.08123	1.0
97.06512	1.3
98.06033	1.0
102.05540	7.4
105.07015	1.8
106.48052	0.6
107.04972	0.6
107.08597	2.3
109.10155	2.9
110.32537	0.6
111.08082	0.8
112.07608	0.9
119.08566	1.5
121.10080	1.0
127.03974	0.6
131.04900	0.7
135.04393	1.1
135.11690	1.8
145.02866	0.7
146.06000	25.6
148.06032	1.7
151.92252	0.6
161.05901	0.9
163.03917	2.7
166.15875	1.0
168.17436	0.9
172.16949	1.3
174.05458	4.7
178.15892	0.8
184.16933	3.5
186.18530	0.9
196.16995	5.7
197.15379	1.1
202.18021	5.0
214.18004	14.6
229.11800	0.7
232.19075	100.0
233.19464	1.3
256.09729	3.9
257.09979	2.8
258.10278	2.4
269.15466	0.7
275.10336	0.8
289.08246	1.2
303.05164	0.7
303.09714	1.7
304.05115	1.0
321.10843	11.1
552.18921	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	552.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05021	0.5
60.08166	5.5
63.36832	0.3
69.69815	1.0
71.07368	2.5
81.07039	0.7
86.09705	27.9
88.32098	0.3
95.08579	0.4
98.22779	0.7
98.98463	2.4
104.10738	3.2
125.00001	18.7
137.05946	1.0
143.01201	0.4
182.12286	0.4
184.07338	100.0
185.07628	0.6
185.38281	0.4
201.68018	0.3
237.42111	0.5
256.09644	0.5
257.09949	0.5
258.10632	0.7
269.95459	0.4
308.77539	0.4
409.53964	0.4
534.27905	1.4
552.29358	11.5
575.70587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.2
56.05037	0.5
58.06623	0.7
60.08166	7.0
67.05508	0.3
69.41138	0.4
69.41542	0.4
71.07372	3.1
71.07741	0.3
79.05468	0.2
81.07070	0.2
86.09707	28.7
87.10016	0.2
98.98466	2.9
104.10743	9.2
124.43546	0.2
125.00004	20.2
128.22250	0.2
184.07339	100.0
185.07697	0.7
189.68590	0.2
239.92465	0.2
258.11084	0.3
334.95963	0.2
412.20880	0.5
452.23895	0.5
516.30798	0.4
534.31873	2.7
535.31989	0.2
552.33032	4.1
553.32916	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.2
56.05041	0.7
58.06579	0.8
59.07376	0.2
60.08167	6.1
60.82079	0.1
67.05508	0.4
69.07113	0.2
70.38494	0.3
71.07373	3.1
79.05502	0.4
81.07036	0.3
82.30933	0.2
82.58678	0.2
86.09710	29.4
88.29903	0.2
91.05490	0.2
98.98473	2.9
103.38571	0.2
104.10745	3.7
105.07009	0.2
125.00009	19.3
127.84729	0.1
157.93105	0.2
184.07347	100.0
185.07701	0.9
211.14920	0.2
243.12776	0.2
446.22995	0.2
464.24179	2.0
500.31284	0.3
516.31219	0.2
518.32520	1.7
534.31384	0.3
552.28607	0.7
553.29980	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.2
55.05497	0.2
56.05031	0.3
57.03437	0.3
58.06317	0.1
58.06590	2.7
58.06856	0.2
59.07376	2.3
59.13326	0.2
60.08161	5.9
63.72647	0.1
67.05500	0.2
69.07073	0.1
70.06583	0.2
70.62794	0.3
71.07375	2.4
79.05480	0.1
86.09705	28.6
98.98461	2.5
104.10742	3.7
116.04685	0.2
125.00000	18.7
129.05479	0.4
157.08588	0.3
168.04268	0.2
179.56656	0.1
184.07336	100.0
185.07689	0.9
210.08856	1.2
222.09183	0.1
239.09189	1.1
299.11392	0.6
312.12064	0.4
369.84244	0.1
383.20609	0.2
464.24042	0.2
518.32410	2.1
534.32092	0.3
552.20898	0.6
552.28424	6.1
553.28760	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.403
Annotation	LysoPC(20:0)
Peak:m/z	Relative Intensity
55.05511	0.7
56.05021	1.3
56.96556	0.7
57.07076	3.3
58.06594	1.6
60.08162	16.0
63.48139	0.4
67.05498	1.8
69.07054	1.7
69.22212	3.1
70.18549	0.5
70.36147	0.5
71.07375	6.4
71.08620	1.7
79.05494	0.8
81.07059	2.7
82.21865	0.5
83.08595	1.1
85.10178	0.7
85.63232	0.4
86.09706	42.6
87.10007	0.6
88.14816	0.4
93.06989	0.6
95.08598	1.7
95.62397	0.4
97.10197	0.5
98.98491	3.5
104.10744	100.0
105.11095	1.1
109.10138	1.2
125.00002	25.2
125.57453	0.5
129.78819	0.4
174.31427	0.4
184.07339	96.8
185.07684	1.3
235.23750	0.5
258.11032	1.3
295.22552	0.5
328.25015	0.5
369.33746	1.7
374.25623	0.8
374.75998	2.2
398.23398	0.5
534.38977	6.0
552.40277	41.3
553.40399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2775
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
56.49874	1.0
57.76791	1.1
69.20609	3.1
69.21016	3.1
98.23439	2.2
98.97604	1.3
106.10620	1.2
112.99089	1.4
192.17224	1.2
275.04446	1.1
294.74704	1.2
317.18002	1.4
401.33173	1.4
496.19760	1.6
553.27771	100.0
554.28259	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	553.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24919	0.7
55.05592	0.7
55.22221	0.6
57.65120	0.7
60.89488	0.6
61.66234	0.7
61.88005	0.8
67.05507	1.1
67.35242	0.7
69.10423	3.8
79.05483	1.5
83.08607	0.8
86.09718	4.2
104.10749	1.5
107.08647	1.1
125.00053	1.2
146.98239	1.0
162.24323	0.6
173.66791	0.6
184.07413	2.4
185.07782	1.2
203.05307	1.2
204.68234	0.8
259.08014	1.0
260.61203	0.7
323.46796	0.7
371.21967	4.4
398.70206	0.7
495.21194	6.6
553.29828	100.0
554.29810	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	553.2989
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
73.44067	0.2
79.05491	0.4
83.08607	0.2
86.09705	0.8
104.10711	0.3
119.86673	0.3
148.24178	0.3
184.07394	0.7
185.04439	0.3
203.05283	1.1
212.22261	0.3
259.08032	1.0
391.24429	0.9
409.54065	0.3
505.46384	0.2
553.29852	100.0
554.30151	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	553.2984
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
52.39447	0.3
62.93850	0.3
67.05502	0.5
69.07063	0.4
69.57262	1.3
79.05466	0.5
81.07027	0.5
85.02893	0.5
95.08600	0.5
105.01929	0.4
105.06990	0.5
107.08633	0.6
109.02888	1.1
119.08578	0.4
123.39720	0.4
149.13303	0.5
155.62486	0.3
177.16451	0.4
185.04227	0.5
220.16183	0.4
259.08081	0.5
277.25360	0.4
280.10529	0.4
305.24658	0.5
331.10159	0.7
369.46835	0.5
384.48154	0.4
391.24539	1.5
553.29822	100.0
554.30042	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33208	0.5
69.88250	1.3
69.88603	0.8
101.28689	0.6
117.08746	0.6
120.84516	0.6
202.86119	0.6
205.76141	0.5
271.39441	0.6
361.75381	0.5
391.24542	1.4
553.29828	100.0
554.29962	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	553.299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23007	0.2
67.05502	0.6
69.07057	0.3
71.45924	0.3
83.56712	0.2
86.09713	0.6
89.76470	0.3
104.10732	0.6
109.10168	0.4
125.00029	0.4
133.10156	0.3
143.91151	0.3
159.35388	0.3
184.07343	2.8
185.04207	0.3
200.96616	0.4
203.05312	1.0
259.07977	1.6
278.30847	0.2
317.20883	0.5
370.13086	0.3
391.24548	3.1
535.32709	0.3
553.29840	100.0
554.30157	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	553.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80503	0.2
56.30754	0.3
65.32197	0.2
67.05494	0.7
71.46601	0.3
79.05482	0.3
83.04949	0.2
86.09690	0.3
93.07027	0.3
110.63880	0.2
121.10126	0.2
125.00014	0.3
142.33630	0.2
143.70996	0.2
153.89088	0.2
166.22093	0.2
171.45815	0.2
171.78621	0.2
184.07362	1.1
259.07687	0.3
271.97153	0.3
304.22974	0.2
391.24472	3.5
517.09924	0.5
553.29803	100.0
554.30090	4.7
571.14929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.2989
Annotation	Withangulatin D
Peak:m/z	Relative Intensity
54.94386	0.9
67.05476	1.2
69.40134	0.9
69.65411	3.5
79.05516	0.9
80.75140	0.8
86.09715	1.4
93.07066	1.4
104.65313	1.0
105.53154	1.0
119.08592	1.2
184.07390	3.5
195.09995	1.4
222.27109	0.9
245.92117	1.1
391.24420	4.8
436.03348	1.1
498.83820	0.9
511.73911	1.1
553.29797	100.0
554.30042	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	553.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22407	2.6
53.03949	8.0
55.01879	5.7
55.05516	5.2
57.03444	6.1
57.26437	2.0
59.38003	2.1
61.02933	4.3
67.05503	12.9
69.03426	33.7
69.07074	7.4
70.32049	4.8
70.33292	2.4
71.04993	4.4
71.42936	2.0
73.02925	6.3
79.05502	8.3
81.03428	21.6
81.07061	25.8
83.08627	4.2
84.04506	15.8
85.02401	4.3
85.02905	66.9
86.06066	45.5
86.09707	2.6
87.00832	33.0
91.03930	3.4
91.05455	12.2
93.07040	23.8
95.08605	28.1
97.02896	25.3
97.10200	3.7
99.04459	9.2
102.05560	6.8
105.01863	42.3
105.07036	28.7
107.08557	14.3
109.02892	19.3
109.10154	37.9
115.05399	2.5
117.07059	5.2
119.08596	18.5
121.06550	4.2
121.10163	12.0
123.11774	5.9
127.03915	41.9
129.07005	3.4
130.05002	5.2
131.08594	19.3
133.10121	29.8
135.11707	6.8
143.08578	5.9
145.04958	15.5
145.10112	21.7
147.11687	17.4
149.13289	12.8
157.10139	7.0
159.02914	9.0
159.11667	11.9
161.05991	6.3
161.13252	21.8
171.11720	7.5
173.13234	13.6
175.14830	26.7
184.07333	4.4
185.13269	6.6
187.14783	11.6
189.16432	6.4
191.14320	3.8
193.08521	3.6
199.14836	11.0
201.16434	4.0
209.08151	9.0
213.03992	3.3
213.16434	6.5
223.04283	8.8
227.17947	4.6
229.19481	21.9
231.04990	19.1
231.15942	3.7
238.18018	10.5
241.19536	10.4
247.00174	2.4
249.06012	3.8
251.09326	4.6
256.19125	3.7
259.24237	3.1
267.07126	2.6
267.21158	4.1
269.22629	100.0
270.23087	4.2
287.23682	57.3
287.26620	4.6
297.22372	2.7
342.19092	6.7
344.39316	2.9
385.23425	17.9
395.25555	3.1
453.98691	2.6
481.25797	4.4
499.26974	4.0
517.27991	6.3
540.77960	2.5
553.32770	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	553.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88992	0.3
63.14216	0.3
67.05495	0.4
70.10028	0.3
72.82450	0.3
86.09700	0.3
96.29436	0.3
104.10734	0.8
123.01171	0.3
133.93127	0.3
154.94208	0.4
172.95207	0.5
198.97411	0.5
199.44989	0.3
286.00879	0.3
314.56949	0.3
340.05484	0.3
352.25244	0.3
367.32349	0.3
382.88046	0.3
434.33847	0.3
450.81897	0.3
471.51276	0.3
493.24542	0.5
553.31378	100.0
554.31641	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	553.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.1
55.05516	5.9
56.05024	2.9
59.68590	1.4
67.05505	4.6
69.03427	2.8
69.07075	10.0
69.07391	1.3
69.32290	6.3
69.32647	2.7
70.06587	3.2
79.05479	4.3
81.03426	2.1
81.07054	11.1
83.04958	1.5
83.08615	5.6
84.04509	23.1
84.08141	2.6
85.02925	9.2
85.06565	1.6
86.06068	20.8
87.00829	2.2
91.05497	3.5
93.07053	7.6
95.05029	1.5
95.08608	6.4
96.08120	10.0
97.02900	3.1
97.06492	2.0
97.10136	1.7
98.06067	5.3
98.09711	3.9
99.04485	4.4
100.11300	1.5
102.05541	9.8
105.01881	2.7
105.07064	4.2
107.08618	5.0
108.08142	2.4
109.02930	1.8
109.06538	2.2
109.10168	3.6
110.09681	3.4
116.10741	8.9
119.08608	2.9
121.06519	2.4
121.10168	5.4
123.11704	2.9
123.31773	1.9
124.07593	4.1
127.03944	4.4
130.04984	8.5
133.10141	3.7
135.11693	2.2
136.11235	2.0
142.08661	13.7
145.04999	1.8
145.10165	2.8
147.11676	3.1
148.06075	3.6
149.13286	3.9
151.11192	5.6
152.10710	2.0
154.12268	3.4
156.60768	1.4
159.11690	2.4
166.15926	8.8
194.15457	5.4
210.18646	3.0
212.16467	89.6
213.16519	2.4
227.27499	1.4
237.19678	5.8
238.18027	44.6
256.19058	9.2
257.17569	3.9
269.22757	2.5
269.25784	1.6
287.23608	10.0
305.24817	3.6
311.74316	1.5
367.22415	3.0
385.23358	47.3
386.23511	1.9
406.29590	3.4
454.19678	1.4
467.19382	2.7
492.29608	4.3
523.25214	3.2
535.33911	9.1
553.34851	100.0
554.35040	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	554.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58831	1.6
65.03955	3.7
68.99815	3.6
70.06600	3.4
72.66908	1.8
75.04469	2.1
78.04704	2.8
79.05511	2.6
80.57160	1.6
84.08160	1.7
86.09703	2.2
89.03933	2.1
91.05465	11.6
93.03421	9.2
93.07059	4.5
95.04952	6.2
103.05465	5.2
105.04504	2.1
106.04177	23.1
107.04950	4.7
116.31649	1.9
117.03400	3.6
119.04971	2.6
121.06516	19.4
125.06009	5.9
131.04916	2.5
134.03622	3.9
135.04431	5.7
137.05948	5.0
139.07487	4.8
149.05971	29.5
151.07608	3.3
153.09126	8.3
163.03926	8.6
163.07497	2.1
167.07068	9.5
177.05475	20.8
179.07082	3.9
180.04135	2.3
180.07874	2.6
181.08585	13.3
182.09399	2.0
191.07066	9.4
192.07803	8.0
195.06572	4.7
209.08092	100.0
210.08784	4.4
223.04115	2.7
223.05992	23.5
260.39584	1.7
275.75061	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	554.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41907	1.8
55.01870	4.0
65.03951	2.5
67.05513	2.0
69.03432	3.2
69.07059	2.4
71.04994	2.2
71.46603	2.6
75.04478	4.6
77.85747	1.8
78.04716	2.8
79.05492	6.9
81.07048	2.7
84.04511	2.5
85.02905	10.7
86.06085	2.8
87.00812	2.8
91.05475	13.6
93.03419	5.5
93.07021	10.2
95.04964	6.6
95.08595	5.1
97.02897	4.0
97.25027	1.8
98.09681	4.5
103.05464	12.2
105.01854	4.2
105.07025	29.3
106.04190	18.1
107.05003	2.3
107.08624	2.6
109.10175	2.6
115.05453	9.2
117.07043	4.8
118.04131	2.9
119.08623	2.3
121.06512	21.1
121.10130	2.1
123.02724	2.1
123.04436	2.4
125.06001	7.2
127.03908	5.8
131.04944	6.2
133.06500	27.1
133.10107	3.5
134.03630	4.3
137.06039	3.8
142.12256	2.9
143.04990	2.4
144.05698	4.6
145.02834	3.1
145.06508	6.8
147.02644	2.5
148.05177	2.8
149.05978	42.6
151.02139	5.0
152.91110	2.0
153.09137	6.8
161.05983	50.9
162.01379	10.1
163.02144	5.2
163.07529	3.2
167.07106	10.5
173.05998	6.8
176.04634	3.3
177.03719	9.3
177.05482	21.5
179.01627	7.3
181.08627	18.9
189.05489	8.3
190.00830	8.2
191.01616	10.1
191.07033	26.6
193.08612	46.6
196.16972	2.4
204.07813	14.4
205.03256	9.4
205.08614	4.9
208.01912	7.9
209.08089	100.0
211.04337	2.2
221.08058	2.6
223.04231	70.7
225.07329	2.5
231.05069	2.5
233.08130	5.7
235.04280	5.0
237.05756	21.6
239.07379	2.5
249.05777	5.6
251.09138	27.4
254.10699	2.2
267.06848	42.7
270.23242	1.9
271.24011	2.5
287.23645	2.3
298.10104	2.0
310.77551	1.9
369.13242	2.5
386.69873	1.9
538.45062	2.0
553.34784	3.4
554.34991	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.5
55.05517	4.7
57.03428	0.7
57.07071	0.8
58.06577	1.1
63.02388	0.5
67.05505	6.2
69.03418	0.9
69.06718	0.4
69.07070	6.2
70.06224	0.5
70.06588	5.4
71.04980	0.6
71.35245	0.5
79.05489	3.8
81.07057	9.0
83.08624	4.0
84.08115	0.7
85.02889	1.5
85.06528	1.5
86.09676	0.5
89.03917	9.9
91.05480	2.1
93.06506	0.5
93.07042	3.7
94.30424	0.4
95.04960	0.8
95.08023	0.6
95.08601	9.4
97.02887	0.5
97.06535	0.5
97.10185	2.0
99.08060	0.7
100.07571	0.4
105.07023	0.9
106.19138	0.3
107.04970	2.4
107.08595	3.1
109.10146	5.3
110.22655	0.3
111.08053	0.5
111.11681	0.7
113.09635	0.9
117.02557	0.8
117.03381	12.5
119.04914	0.6
119.08572	1.2
121.10140	4.7
123.11704	1.9
125.09625	0.6
133.10114	1.8
135.04420	24.1
135.11670	0.8
137.09653	0.4
137.13240	0.7
145.02843	17.6
147.11664	0.8
149.13243	0.5
151.11130	0.5
163.03902	100.0
164.04237	1.3
177.16376	5.0
189.16357	1.6
195.17470	3.8
196.20671	1.0
207.17458	1.4
224.20088	37.3
225.18407	0.4
225.20433	0.5
242.21152	11.1
253.11324	0.3
255.29257	0.3
260.22235	2.0
278.05890	0.5
284.22308	2.2
295.04407	1.7
302.23010	0.4
334.04745	0.4
349.07074	2.5
351.64954	0.4
356.20663	1.2
374.21725	23.2
375.22241	0.5
392.22772	59.2
393.23080	1.0
404.24194	0.6
536.24786	5.3
554.25958	22.5
555.26288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68674	0.6
55.05507	1.7
57.03445	3.3
59.05002	1.2
63.09549	0.6
69.03433	13.4
69.55503	2.7
71.04989	7.7
79.05494	1.4
81.03419	2.0
81.07036	2.1
83.04981	1.4
83.08620	1.7
85.02909	10.4
85.06533	1.2
87.04474	8.7
91.05449	0.7
93.07052	1.7
95.04951	3.2
95.08601	3.1
97.02271	0.7
97.02895	10.8
97.06510	0.7
98.22654	0.8
99.04459	26.2
99.08108	0.8
105.07021	2.5
107.08598	14.7
109.02898	0.6
109.06515	10.1
113.09662	1.2
115.03932	13.0
119.08585	2.5
121.10155	8.3
123.08071	22.1
123.11750	3.8
125.05930	0.9
125.09618	5.2
127.03912	1.1
131.08565	1.0
133.04974	12.1
137.05937	1.1
137.09671	1.1
137.13313	0.6
139.11157	1.3
145.04965	1.7
145.10136	0.7
147.11681	1.8
149.09627	15.4
150.07593	0.8
151.07555	8.9
161.13290	1.7
164.07059	1.3
165.12766	5.3
167.10689	12.5
179.14290	3.6
183.13803	8.6
189.12782	3.7
207.13817	22.7
224.09200	1.3
225.14862	100.0
226.06204	0.6
226.15274	1.4
237.00697	1.4
241.06987	0.7
243.11429	0.7
249.14845	3.3
257.84506	0.6
259.08264	0.7
295.10211	1.7
303.13077	0.7
331.12833	1.9
368.46997	0.6
534.27289	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.1
56.05029	2.0
57.03440	6.8
60.08155	0.8
60.71828	0.5
65.03923	0.5
67.05513	5.3
69.07069	1.2
71.05024	0.5
71.07376	9.2
71.46410	0.5
79.05494	6.2
81.03426	0.5
81.07056	4.7
83.04995	0.6
83.08628	1.1
85.06544	2.0
86.09709	52.2
87.10066	0.5
91.05479	7.5
93.07038	6.6
95.04974	1.0
95.08604	4.1
97.06578	0.7
99.04463	1.4
104.10729	4.3
105.04485	0.6
105.07042	4.7
107.08613	4.1
109.06522	2.0
109.10146	1.2
111.08046	0.6
117.07011	2.4
119.08593	5.9
121.10160	1.4
123.07996	0.5
125.00022	1.5
129.07016	0.5
131.08588	3.3
133.10112	2.4
135.11662	1.2
137.09668	0.7
143.08589	0.6
145.10141	1.9
146.97043	1.1
146.98180	17.9
147.11678	1.1
159.11711	1.5
176.99207	0.6
184.07336	4.6
185.07683	0.8
185.13174	0.6
186.07855	1.0
219.17407	8.2
275.20004	0.7
292.06030	0.6
315.19376	2.4
335.64893	0.5
349.23633	1.2
356.33572	0.6
371.21933	100.0
372.22241	5.8
388.85001	0.5
495.21191	98.0
496.21597	4.1
554.28455	23.7
555.28680	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02926	1.2
55.05511	3.6
56.05028	2.7
56.44568	1.2
57.07060	1.3
60.04525	24.3
67.05499	6.7
69.07065	5.2
70.06593	8.1
71.04974	1.6
71.45811	1.3
72.08144	1.9
79.05492	4.3
79.06556	1.3
81.07059	10.3
82.06563	1.4
83.08609	2.0
85.06570	1.3
86.09687	1.9
91.05486	2.4
93.07043	3.7
95.08612	10.3
100.11277	2.0
101.55203	1.2
107.08570	2.1
109.10159	1.4
121.10134	3.0
146.05945	3.6
147.04404	9.9
163.03889	3.3
180.17599	1.1
184.63094	1.2
186.18518	4.2
198.18529	11.3
216.19620	18.1
232.07066	1.3
234.20638	100.0
235.14366	2.5
349.06982	1.3
553.15308	1.3
554.24542	4.1
555.16486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.8
55.01865	3.3
55.05254	1.7
55.05510	18.2
57.03436	4.0
57.07071	5.5
61.02917	3.3
62.71639	0.8
64.43629	0.7
67.05503	15.7
68.99790	1.6
69.03430	19.1
69.07065	30.5
69.64932	1.7
69.65311	1.6
71.04984	3.7
71.08637	1.3
73.02908	3.3
79.05179	0.8
79.05499	7.7
81.03416	12.7
81.07056	28.2
83.04993	2.5
83.08619	23.2
85.02902	47.2
85.06550	3.8
85.10141	1.1
87.00834	18.2
91.05485	6.2
93.07037	13.2
95.08598	27.8
97.02895	12.5
97.06526	4.5
97.10162	26.0
99.04459	6.7
99.08094	3.8
105.01859	16.3
105.07021	6.8
107.08580	8.6
109.02872	16.6
109.10149	14.3
110.84676	0.9
111.08096	3.6
111.11714	12.0
113.09623	1.7
117.01797	1.1
119.08583	10.2
121.10139	14.7
123.08094	2.1
123.11715	5.4
125.09615	2.8
125.13255	5.6
127.03915	33.5
129.01855	1.3
129.09138	1.6
133.10114	11.6
135.11684	16.2
137.09637	4.2
137.13261	4.4
139.11189	5.6
139.14807	1.3
141.09138	1.3
143.10614	0.9
145.04973	5.5
147.11688	10.1
149.13263	4.6
149.14371	0.9
151.11151	4.5
151.14821	3.8
153.12730	3.5
155.10660	1.8
157.12198	2.0
159.02878	3.9
161.13261	8.4
163.14885	1.2
165.12743	6.2
167.14272	0.9
169.12253	3.1
171.13853	2.3
175.14798	4.3
177.16431	1.4
179.14276	5.0
183.13786	1.8
184.07343	1.0
187.06148	1.0
189.03949	1.0
189.16382	1.7
191.17932	1.1
193.16043	0.8
193.19493	3.7
197.15388	1.3
213.03879	5.1
217.19501	27.7
231.05000	10.2
235.20569	42.5
249.06114	1.8
253.21617	100.0
254.21915	1.5
271.22681	75.2
272.22955	1.1
289.23706	7.5
361.23730	1.9
379.24863	1.1
465.24796	1.8
483.25702	2.0
501.26855	1.1
516.48285	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.0
55.01867	4.3
55.05506	20.9
57.07081	4.4
58.36782	2.0
59.04994	2.2
59.18902	2.0
60.22018	1.9
65.48843	2.2
67.05511	24.1
69.03424	19.8
69.07065	38.7
69.46479	11.2
71.04992	4.4
71.39994	2.3
79.05488	7.6
81.03445	11.1
81.07057	32.4
83.08614	30.8
85.02908	39.4
85.06544	2.6
85.10188	2.1
87.00829	19.8
91.05476	10.1
93.07040	12.7
95.04984	2.7
95.08605	34.8
97.02894	13.4
97.06533	7.5
97.10167	35.3
98.22704	4.8
99.04459	4.2
99.08092	3.7
99.54642	2.1
101.08713	2.2
105.01843	14.0
105.07061	7.2
107.08582	14.0
109.02866	17.4
109.10129	18.0
111.11706	19.5
119.08572	9.4
121.10147	20.4
123.08081	2.8
123.11696	6.9
125.09663	4.0
125.13274	6.4
127.03898	30.1
129.09102	2.6
133.10132	11.8
135.11691	18.6
135.85048	2.4
137.09647	4.0
137.13263	2.3
139.11203	4.7
145.04964	6.3
147.11693	10.1
149.13293	4.6
151.11195	4.3
153.12793	3.5
156.36296	2.1
157.12189	2.4
161.13275	8.6
165.12724	5.0
169.12129	3.6
175.14862	3.9
179.14348	3.7
183.13817	4.5
189.12527	2.3
191.17976	2.2
193.15747	2.8
193.19536	3.4
209.07993	2.7
213.03943	4.2
217.19514	28.6
231.04973	7.5
235.20586	46.9
253.21631	100.0
271.19733	3.9
271.22668	82.7
272.22839	4.2
289.23740	8.3
374.97424	2.6
399.11981	2.6
517.94794	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	554.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.01860	4.0
55.05516	11.3
57.07071	4.7
60.35516	2.2
61.01895	2.2
67.05506	19.2
69.03139	2.0
69.03436	18.8
69.07071	23.2
69.93776	4.6
69.94131	2.8
71.04982	3.3
71.08640	2.7
71.24115	2.6
72.63974	2.4
73.02923	2.5
74.61494	2.3
79.05502	6.4
81.03398	8.7
81.06625	3.3
81.07063	34.2
83.04950	3.1
83.08613	13.6
83.25310	2.6
85.02906	41.1
86.09702	3.7
87.00837	22.9
91.05489	4.8
93.07061	5.4
95.08603	46.9
97.02895	16.0
97.10171	18.1
99.04459	5.0
105.01872	23.8
105.07027	4.6
107.08582	5.6
109.02892	12.2
109.10152	24.3
111.11716	16.7
119.08601	5.8
121.10110	5.9
123.11701	13.8
127.03912	22.4
133.10126	4.5
135.11693	5.0
137.13252	8.1
145.04990	9.9
147.11653	4.7
159.02930	2.7
161.13248	4.5
163.05577	2.2
184.07356	6.1
193.19499	19.8
211.20563	100.0
217.19537	5.9
231.05028	7.7
235.20592	11.7
249.06093	3.4
253.21631	13.4
262.95279	2.1
271.22668	80.3
289.23514	4.7
336.31793	2.6
526.75421	2.6
553.91608	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	554.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.7
57.03430	2.4
57.07063	5.1
59.04992	3.1
67.05505	15.5
69.03438	9.9
69.07071	52.7
69.19278	8.5
71.04984	4.9
71.08640	3.1
73.02901	1.6
79.05510	8.4
81.07061	44.0
82.68894	1.3
83.08635	13.8
85.02905	9.8
85.06528	3.8
85.16039	1.7
91.05482	5.7
93.07048	29.4
95.04964	5.6
95.08607	40.5
97.02876	1.8
97.06529	9.7
97.10181	2.6
99.04424	1.5
99.08118	2.7
105.07038	12.6
107.08595	37.1
109.02872	2.0
109.06498	6.2
109.10163	52.2
111.08090	5.4
111.11718	7.4
112.05106	2.0
119.08580	12.6
121.06503	3.1
121.10147	17.8
123.08023	3.7
123.11699	15.1
125.05987	3.8
125.13289	2.1
127.11195	4.7
130.89778	1.7
131.08543	4.3
133.10129	12.0
135.08029	11.8
135.11693	16.0
137.09608	22.2
137.13245	6.8
139.07571	3.1
139.11165	3.1
143.07030	6.1
145.10123	6.4
147.04469	1.6
147.08052	2.0
147.11703	6.0
149.09624	6.1
149.13266	6.7
151.11168	16.4
153.09103	3.8
153.12743	26.5
153.13884	2.8
157.10077	2.4
159.07996	2.7
159.11725	4.4
161.09654	6.9
161.13197	3.8
163.11227	3.0
163.14862	3.4
165.09125	8.5
165.12746	2.0
167.07164	1.6
167.10620	8.8
167.14343	2.6
169.12262	6.5
171.10153	2.8
171.11711	2.1
171.13814	5.5
173.13327	3.9
175.11235	3.4
175.14769	3.0
177.09117	5.3
177.16461	3.2
179.10660	7.5
181.08487	1.5
187.14798	3.4
189.16373	1.8
191.10677	3.1
191.18175	1.9
193.12187	2.3
193.15855	3.7
195.10190	4.9
205.26942	1.4
209.08142	2.2
219.21077	3.8
223.12424	2.0
237.22079	1.9
243.21141	3.5
261.22113	3.2
267.20935	2.8
275.23520	1.8
277.25296	2.4
279.23166	5.6
281.40292	1.6
285.22113	3.8
295.26236	3.2
303.23166	25.7
307.09433	1.8
321.24240	100.0
322.24390	2.2
331.82590	1.7
339.25296	64.4
340.25586	3.7
345.09482	1.5
357.26379	30.5
375.27161	2.6
389.33362	1.7
503.21790	1.6
523.76068	1.6
554.26819	2.0
554.37146	3.2
554.45715	1.9
555.26129	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08202	0.8
80.42677	0.9
83.04012	0.8
124.93758	13.9
142.94812	2.8
161.48604	0.9
164.92081	4.4
198.97432	99.4
201.86447	1.0
216.98457	5.3
223.86632	0.9
349.99484	1.1
463.21979	8.4
537.25391	1.5
555.26532	100.0
555.38501	22.0
556.27008	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	7.5
64.17669	7.1
67.05498	10.5
69.12762	51.7
70.06628	11.4
72.93504	7.4
79.05499	13.2
81.07057	18.8
91.05492	26.7
93.07057	30.6
95.08649	9.0
98.23421	17.4
98.97614	9.6
105.07037	16.8
107.08607	18.2
116.98602	12.7
119.04960	17.2
123.04450	27.2
133.10141	25.1
135.11693	15.6
136.07558	97.4
139.74719	6.7
142.69719	7.4
145.13591	7.5
146.33582	7.5
147.04385	17.1
149.13243	10.7
163.03935	10.5
165.05501	53.4
166.08678	9.4
177.12740	13.2
182.08125	100.0
321.30588	7.2
358.20108	54.0
376.21164	77.5
378.54858	8.1
393.22549	15.8
476.36438	7.7
555.27100	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2931
Annotation	Acrovestone
Peak:m/z	Relative Intensity
55.05533	1.3
57.07074	2.6
67.05509	1.8
69.56768	1.8
69.57161	1.6
71.08641	1.8
71.44318	0.7
81.07053	1.8
83.08614	1.0
95.08599	1.9
98.22672	1.0
98.98482	6.6
104.10757	1.9
109.10142	1.1
119.08591	1.0
131.00177	1.2
135.72438	0.8
154.94174	0.9
155.01031	7.4
172.95242	1.8
224.39392	0.9
293.05826	0.9
313.27310	4.0
323.98846	0.9
337.45514	0.8
391.17563	0.9
449.19876	1.0
492.23990	2.2
540.55829	0.8
550.45068	0.8
555.29272	100.0
556.30017	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	555.2935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.9
56.96578	1.0
57.03398	0.7
57.07071	2.3
67.05520	1.7
69.07075	1.5
69.50092	0.9
69.50488	2.0
71.08633	1.4
81.03423	0.9
81.07053	2.7
83.08628	1.0
85.10156	2.0
91.27293	0.7
93.07029	0.9
95.08630	2.4
97.66800	0.6
98.97605	1.7
98.98483	8.2
107.08633	0.7
109.10178	1.6
111.14400	0.6
112.99163	0.9
155.01047	12.2
239.23747	1.4
284.66864	0.8
293.05417	0.9
313.27332	7.8
337.20624	1.1
375.26047	0.7
393.23782	1.3
401.28781	0.7
409.81390	0.7
426.16492	0.8
441.19049	1.3
453.15829	1.0
555.29327	100.0
556.22302	0.8
556.29620	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	555.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18209	1.0
57.07066	4.0
67.05495	1.9
69.07066	1.9
70.07573	1.3
71.08624	2.5
75.03024	1.1
78.14978	1.3
81.07056	3.2
83.68085	1.1
85.10183	1.1
89.06017	2.7
91.05497	1.2
95.08630	2.5
98.98458	8.8
109.10147	2.2
120.15791	1.2
133.08656	1.5
147.11557	1.4
155.01028	8.8
160.25664	1.2
172.18596	1.1
176.92340	1.4
190.03873	1.6
191.10423	2.4
194.93456	2.9
199.33029	1.2
209.09401	16.7
253.08365	14.3
253.10612	1.9
313.27399	7.9
494.69003	1.5
495.18073	3.5
537.19141	1.7
555.30811	100.0
556.30969	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	555.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
69.90549	0.8
86.09737	1.0
93.07059	0.4
93.25803	0.3
104.10787	0.3
105.00084	0.3
125.00030	0.4
159.03296	0.3
184.07353	2.3
185.04332	0.3
185.07709	0.6
203.05342	0.6
217.51505	0.3
259.07965	0.7
312.83081	0.3
343.94360	0.3
355.56436	0.3
373.23505	0.5
376.63129	0.3
393.26239	0.6
398.94397	0.3
497.22778	0.8
537.30164	0.7
552.18182	0.3
555.31366	100.0
556.31763	3.3
561.19910	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.1
55.62176	0.9
67.05485	1.4
69.07048	2.1
71.08624	4.6
72.08163	2.2
81.07049	3.1
84.04507	9.7
84.08131	1.3
86.06073	4.3
95.08617	1.7
96.08144	2.0
98.06048	1.2
98.09717	2.7
99.08099	3.0
101.24998	1.0
102.05534	4.2
116.10735	15.8
121.10115	1.0
122.09712	1.3
130.05029	4.0
143.10736	1.8
154.15907	3.1
166.15953	3.5
196.16939	8.9
214.18008	100.0
215.18263	1.8
224.27736	1.0
231.15715	1.0
268.39725	0.9
282.25955	1.1
326.09946	1.0
373.23257	1.2
424.11365	1.2
439.27740	1.9
457.29028	3.3
548.25073	1.1
555.29083	1.9
555.37183	10.8
577.90704	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
55.05515	8.7
56.05035	7.1
57.07074	2.2
63.24060	0.7
64.98868	0.8
67.05502	5.0
69.07072	7.6
69.14719	1.4
69.15137	3.8
70.06590	2.9
71.07381	1.1
71.08630	5.0
71.35676	0.6
72.08155	6.8
73.70117	0.9
79.05486	3.3
81.07054	9.9
83.04966	0.9
83.07384	1.0
83.08630	7.0
84.04507	71.0
84.08134	1.6
85.02919	2.2
85.04829	0.7
85.06553	1.0
86.06066	87.7
91.05479	1.7
93.06549	0.8
93.07038	5.5
95.04960	1.0
95.08612	4.4
95.94387	0.6
96.08138	3.0
97.06516	3.1
97.10164	1.1
98.06068	1.3
98.09689	17.3
98.97624	0.7
99.04419	0.8
99.08070	0.9
102.05544	35.0
102.06226	1.9
105.07018	1.5
107.08582	4.0
108.08104	1.9
109.10183	2.3
110.09675	0.7
111.08070	2.1
114.09260	0.8
116.10732	100.0
117.11082	0.8
119.08627	1.1
121.10149	2.2
122.09662	1.7
122.29272	0.7
124.07603	1.2
124.11221	0.8
125.09620	0.8
130.05006	21.7
133.10159	1.0
135.11708	1.2
136.11249	1.0
137.06039	1.0
142.12259	3.3
143.10681	13.0
148.06079	3.4
149.13255	7.2
159.11729	1.7
166.15932	3.1
167.14334	2.4
174.07695	1.3
181.38367	0.7
193.12233	0.7
196.16997	0.9
208.79869	0.9
212.16415	4.9
214.18019	15.8
231.15932	5.5
234.34654	0.8
238.18002	2.2
239.16438	3.8
243.19701	0.9
257.17441	1.6
274.21600	0.9
282.26086	4.4
292.22873	3.8
296.18475	1.5
309.25385	2.7
310.23727	13.8
328.24844	1.1
371.28033	0.9
395.28979	1.2
411.28503	1.8
421.26855	1.1
439.28055	58.1
440.28357	2.3
457.29092	84.2
458.29269	4.0
537.35339	4.3
555.18396	1.2
555.36816	24.7
555.52875	3.5
556.36322	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.8
57.07077	0.6
58.90345	0.6
58.95782	0.5
67.05520	1.4
69.07067	0.6
70.49268	1.1
72.92789	0.6
79.05506	0.8
81.07090	1.2
90.82634	0.6
93.07067	1.5
95.04958	0.6
95.08599	1.2
97.10217	0.6
119.08596	0.7
122.76734	0.6
124.93845	2.8
127.91805	0.6
145.10147	0.7
164.92097	1.0
186.22046	0.6
198.97433	17.4
216.49567	0.7
216.98511	0.9
250.51299	0.7
263.28802	0.7
268.64032	0.6
289.73480	0.6
423.53262	0.6
463.22040	5.2
555.27222	12.6
555.38794	100.0
556.29095	0.6
556.38849	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	555.387
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99010	0.3
56.23643	0.3
57.07072	1.6
59.85490	0.3
62.29056	0.3
67.05492	0.5
70.63591	0.3
71.08639	1.5
73.06542	0.4
79.05480	0.4
81.07066	0.5
85.10199	1.0
89.06027	5.2
95.08570	0.4
117.09175	0.3
133.08592	3.0
140.72258	0.3
147.07985	0.3
177.11250	1.2
232.85330	0.3
257.24774	0.5
319.78821	0.3
371.22919	0.5
409.49155	0.4
481.35214	0.5
530.77472	0.3
555.38666	100.0
556.38934	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	556.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72839	0.2
53.03949	1.6
56.29830	0.2
64.68166	0.2
67.33990	0.2
69.03431	1.8
71.01250	0.2
71.01591	0.2
73.51711	0.2
75.92252	0.1
80.76517	0.2
81.03418	43.3
81.46828	0.2
82.03743	0.5
87.70499	0.2
99.04453	0.4
104.15466	0.2
119.03574	1.4
127.05057	1.6
136.06186	100.0
137.04556	1.0
137.06612	0.9
161.06071	0.2
207.07632	4.4
216.08759	0.3
234.09872	0.2
239.51602	0.2
323.06351	1.5
463.21487	0.2
484.09744	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	556.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37152	0.8
55.01857	1.8
57.04726	0.9
57.81145	0.9
58.09097	1.1
65.03940	3.6
69.81342	2.0
70.06593	4.3
75.04465	2.8
78.04713	2.1
79.05518	2.5
82.45114	1.0
84.08162	0.9
85.02901	3.3
86.09718	1.7
91.05474	10.8
93.03402	9.1
93.07039	4.4
95.04975	5.2
97.06532	2.5
97.90231	1.1
103.05454	6.8
105.04532	2.4
105.07047	4.7
106.04169	24.8
107.04961	4.7
109.06569	1.6
117.03400	1.2
119.04956	1.4
121.06508	25.3
123.02616	4.8
123.04440	1.4
125.06006	7.2
131.04955	2.7
131.06000	1.1
133.06505	2.9
134.03635	3.3
134.42036	1.0
135.04419	1.9
137.06020	5.3
138.06752	1.3
139.07529	1.5
145.02853	1.9
147.04388	2.2
148.05205	3.2
149.05978	39.5
151.02121	9.7
151.07545	2.6
152.58502	1.0
153.05458	1.1
153.09103	11.7
155.07121	1.1
161.01706	3.7
161.06010	8.6
163.02156	1.6
163.07501	2.8
167.07056	4.4
177.05466	21.7
177.06966	1.6
179.01617	12.7
181.08569	17.1
181.10085	1.1
191.01694	2.5
191.07045	7.3
193.08630	7.8
201.05411	1.3
209.08086	100.0
210.08411	2.0
211.04201	8.9
211.09518	1.2
223.04269	12.7
225.51799	1.1
228.13573	1.5
254.04781	1.0
265.08636	2.0
281.05014	2.1
299.05557	1.3
307.09500	2.2
311.05853	3.1
325.10635	3.8
329.06726	1.1
387.14380	3.5
453.20032	2.0
556.29224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.3
55.05512	5.9
55.26505	0.8
57.03428	1.7
61.02927	3.0
69.03427	8.1
71.01360	3.2
79.05488	4.0
81.03414	3.5
81.06579	1.4
81.07057	25.4
83.04987	3.4
85.02403	1.8
85.02910	35.9
91.03971	1.8
91.05494	3.2
93.07036	3.1
95.04970	2.0
95.08608	7.5
97.02902	10.1
105.07030	9.5
107.08604	1.4
109.02895	4.7
109.06523	55.7
121.06520	2.5
123.08076	8.6
127.03925	8.4
133.06491	16.8
135.08043	1.5
137.05992	18.3
145.04968	14.5
151.07552	45.6
152.07889	1.0
153.09137	2.1
161.06004	11.9
163.06023	8.4
167.07051	2.4
179.07037	100.0
180.07330	1.5
195.06555	1.9
197.08096	60.6
215.09158	95.9
215.91653	1.0
216.09494	1.7
233.10181	1.1
235.31075	1.1
269.55466	0.9
323.11133	2.2
325.11346	2.3
341.12347	13.5
359.13403	4.9
479.79593	1.1
532.50458	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42524	0.8
53.03949	1.1
55.01871	5.2
56.99507	1.0
58.52839	0.9
65.03937	1.0
69.03426	6.7
73.02901	1.1
77.03914	1.3
79.05499	7.0
79.06313	0.8
81.03407	2.1
85.02909	14.6
91.05479	37.8
93.07021	1.1
94.04183	2.8
95.04961	3.1
97.02898	5.4
99.04456	1.2
100.72254	1.0
103.05467	31.1
105.03389	6.6
105.07030	16.0
107.04958	5.9
108.05727	1.6
109.02888	1.6
109.06503	6.9
115.05415	6.0
117.07012	1.5
118.04186	1.8
119.04942	44.9
119.08558	2.0
121.06494	4.3
122.03665	4.6
123.04392	0.9
123.08043	3.2
127.03940	4.9
128.06215	1.0
129.07004	4.1
130.04140	1.2
131.04927	54.0
132.05647	1.0
133.02823	2.6
133.06508	14.6
135.04404	1.3
135.08031	0.9
136.05215	1.4
136.08798	1.4
137.05977	100.0
138.06335	2.3
143.04942	1.0
143.05977	1.2
145.04951	4.2
145.06398	1.2
146.07321	1.6
147.04410	19.4
147.08080	4.2
149.05977	4.7
151.07544	22.1
157.06458	2.0
159.08052	2.8
160.05183	3.0
161.05975	29.4
162.06750	4.6
163.07544	60.9
164.08028	1.6
165.05389	1.4
172.05182	2.5
175.07545	29.8
177.05467	3.0
177.09111	2.9
179.05554	1.8
179.07039	27.7
185.05949	1.2
187.07547	15.3
189.09113	2.9
191.07033	2.2
191.08586	2.3
193.06866	1.4
193.08586	7.7
199.07587	1.2
201.09096	1.1
203.06923	1.7
203.08606	1.4
205.08614	2.8
217.08540	9.2
219.08063	4.9
219.10205	2.6
220.08553	1.2
231.08063	1.6
237.09109	2.0
245.07985	1.1
247.07484	2.8
251.10786	5.5
259.07565	2.4
265.08591	1.2
279.10190	6.8
291.10101	2.9
293.11810	1.0
305.10175	1.0
309.11188	24.1
310.11533	1.1
311.12766	19.8
323.12894	4.8
325.14471	1.3
341.13910	14.3
539.96973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73323	1.5
55.01870	3.4
69.03448	2.2
69.54664	6.8
70.06599	5.0
72.30412	1.6
77.03937	1.6
78.42138	1.6
79.05507	5.6
81.07035	1.9
82.86753	1.6
84.08190	1.9
85.02924	5.0
86.09712	4.1
91.05488	30.3
93.07023	1.5
94.04204	2.5
95.04947	2.3
103.05471	43.2
104.05810	1.9
105.03432	7.5
105.07040	17.2
107.04957	3.7
109.06538	5.4
110.08612	1.5
112.14616	1.7
115.05444	5.1
117.63264	1.9
119.04956	45.4
121.06551	4.7
122.03641	3.4
123.08071	4.4
129.07030	4.0
131.04938	100.0
133.02863	7.0
133.06517	16.1
137.05989	80.9
138.06288	1.7
143.06097	1.9
145.06485	3.4
145.66734	1.6
147.04416	17.6
147.08055	3.0
149.06010	5.9
151.07549	19.1
153.05458	2.5
157.06491	3.2
159.08107	2.7
160.05231	3.2
161.05988	65.3
162.06772	7.4
163.06197	3.5
163.07556	63.2
165.05469	4.6
175.07552	22.1
179.07057	20.7
179.16731	1.8
187.07576	17.4
189.09102	6.9
191.08664	2.0
193.08647	4.6
201.05356	4.0
203.08546	1.8
203.24632	1.4
205.06744	3.1
205.08609	11.4
217.08606	3.3
219.08034	2.4
222.16609	1.8
231.08115	2.0
234.06493	2.0
235.09595	3.9
250.06361	1.6
251.06784	2.3
251.10715	3.5
263.07355	1.9
265.08612	4.3
266.09030	3.6
279.10162	7.2
291.10242	5.9
292.07166	4.2
293.07880	4.5
294.08432	4.2
296.10406	1.7
307.09644	5.1
308.10077	6.8
309.11209	7.9
311.12683	16.5
323.12778	6.7
325.10767	8.9
326.10953	7.9
329.13699	5.5
341.13852	13.2
359.14899	3.7
416.98386	1.8
428.22672	3.6
453.20175	4.2
454.20569	9.2
490.31882	1.8
556.32190	15.7
564.23407	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91700	0.9
55.05499	1.6
56.05037	3.3
67.05508	4.0
67.20332	1.0
69.07034	1.0
71.07383	12.4
72.70039	1.0
78.89648	1.0
79.05490	1.5
81.07061	2.5
86.09711	77.8
93.07038	2.4
95.08613	3.3
98.22637	2.7
104.10751	3.6
105.07102	1.3
107.08609	1.2
140.31332	1.0
162.95584	68.1
177.00795	1.0
335.25674	2.4
456.94525	1.1
497.20679	100.0
498.21127	6.0
556.28021	53.2
557.28418	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	556.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05503	2.5
56.05032	1.8
57.03435	0.9
67.05502	4.9
69.03445	0.7
69.07066	4.2
70.06586	0.8
71.07371	7.0
79.05502	4.4
81.03411	6.4
81.07046	5.0
83.04977	1.5
83.08659	1.2
86.09704	39.9
91.05481	2.6
93.07036	3.8
95.04965	4.9
95.08597	3.2
97.10175	1.0
104.10746	14.4
104.11390	1.4
105.07032	2.9
107.08612	3.0
109.06526	1.2
109.10138	1.3
117.06982	1.0
119.08583	1.7
121.10217	0.9
125.09652	0.9
133.10106	2.1
134.68777	0.8
135.11671	0.9
146.98174	12.3
151.11234	3.3
151.88235	0.9
161.13284	1.3
164.55946	0.8
164.63454	0.8
165.12801	1.0
174.04599	0.7
176.99315	1.1
256.08020	0.7
277.21643	1.7
317.17569	0.9
317.20782	4.7
373.23477	54.1
374.23911	2.0
497.22751	100.0
498.23148	3.7
556.30054	22.7
557.30310	1.3
565.34363	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18178	2.9
55.05504	4.3
57.03424	3.1
60.08167	2.8
67.05508	6.9
69.07065	4.3
69.66435	3.4
70.62046	5.9
71.07394	7.0
79.05493	9.4
79.76516	3.5
81.07053	12.6
86.09713	45.6
91.05480	3.7
91.79273	2.9
93.07048	14.7
94.40242	2.9
95.08621	3.5
104.10754	40.6
105.06992	7.4
105.11124	3.3
107.08630	4.7
109.10149	3.1
121.10158	5.7
131.08513	4.3
135.11671	4.0
138.25899	2.9
146.98180	28.5
147.11690	3.0
152.36882	3.8
169.33452	2.9
175.09695	3.5
219.32446	2.9
322.86835	3.2
373.23523	52.6
468.45560	3.9
497.22894	100.0
556.20190	8.1
556.29816	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97566	1.5
55.05502	5.8
56.05034	3.0
57.03449	3.0
67.05501	11.1
69.07051	4.1
69.10139	6.4
69.10551	3.4
69.37061	1.3
70.64240	1.3
71.07378	8.8
75.80537	1.3
79.05489	19.2
81.07065	12.2
83.08642	2.5
85.95007	1.3
86.09708	60.0
91.05492	12.1
93.07048	19.3
95.08607	8.9
95.09114	1.6
104.10732	3.2
105.07043	10.4
107.08574	7.6
109.10180	1.9
117.07031	2.1
119.08575	7.0
121.10159	4.5
128.27525	1.7
131.08553	2.2
133.10120	5.1
135.11682	2.5
145.10173	3.7
146.98177	55.2
147.11688	3.4
161.13246	1.6
174.95085	1.5
177.84528	1.4
184.07254	1.6
259.20660	1.9
307.78217	1.5
333.24225	3.2
373.23489	82.9
374.23941	1.8
479.21954	2.1
497.22980	100.0
498.23685	2.0
556.19739	7.5
556.29999	56.7
557.20300	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	556.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78611	0.7
53.03928	0.8
55.01858	1.8
55.05261	1.0
55.05512	11.3
57.03434	4.8
57.07080	3.9
58.07638	0.7
59.04985	2.9
65.03930	1.4
67.05506	52.5
69.03415	2.1
69.06757	0.9
69.07073	9.7
69.60043	2.7
69.60387	0.8
71.04971	2.2
71.08632	14.6
79.05503	8.2
81.03425	1.9
81.07060	14.3
83.04977	1.7
83.08629	6.9
85.06525	1.8
85.10180	2.1
89.06036	5.9
91.05488	7.5
93.07050	7.6
95.04975	5.7
95.08598	7.1
97.06490	1.4
97.10173	3.9
99.08096	8.5
105.07030	3.5
107.04954	2.8
107.08612	4.9
108.05745	1.5
109.06492	2.6
109.10159	41.0
111.08083	1.5
117.07013	1.4
119.08591	5.9
120.96610	1.1
121.06499	5.3
121.10130	2.1
125.09628	3.7
131.08516	1.7
133.08598	2.6
133.10114	2.1
135.08052	0.9
135.11650	1.2
137.09595	2.5
139.11157	1.0
145.10121	1.2
147.11626	0.8
149.13284	1.3
151.11197	1.9
153.09106	0.8
155.10663	3.5
159.16208	0.6
165.12782	0.8
167.10687	1.0
173.11748	10.7
177.11136	2.1
177.12735	1.7
189.11226	1.8
193.12186	1.1
220.03526	1.4
227.12749	1.6
229.14352	55.5
267.15872	1.6
275.20032	5.0
277.21616	1.4
283.26404	0.8
288.98300	0.7
293.21100	100.0
294.21353	3.3
295.22842	0.8
349.24072	1.0
367.24811	26.0
371.22464	1.1
399.23605	0.8
421.25894	0.8
439.26727	2.1
457.23141	1.4
521.13672	0.9
521.34766	41.9
522.34558	1.1
539.41644	1.6
556.52765	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	556.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68435	1.0
53.03958	1.3
55.01865	2.1
55.05513	15.9
57.03437	6.2
57.07074	22.9
59.05013	3.5
67.05506	65.5
69.03413	1.3
69.07070	11.5
70.64383	1.9
71.04992	3.2
71.08634	33.3
73.06572	2.4
79.05493	14.1
81.03422	2.8
81.07059	21.9
83.04987	2.6
83.08618	8.2
85.06541	2.6
85.10184	12.2
87.04455	1.7
89.06036	37.0
91.05486	10.7
93.07044	11.7
95.04987	4.9
95.08617	11.1
97.06549	2.2
97.10176	11.1
98.98502	1.6
99.08099	11.1
99.11750	3.3
105.07032	7.8
107.04980	2.7
107.08587	8.5
108.05754	1.4
109.06562	2.8
109.09418	2.5
109.10159	48.6
111.08086	2.5
113.13281	1.9
117.07040	2.0
117.09110	2.7
119.08603	7.6
121.06524	4.6
121.10136	2.9
123.08104	1.4
125.09610	9.3
129.07114	1.4
131.08591	2.4
133.08611	23.0
133.10167	3.6
136.08842	1.2
137.09604	1.9
149.13235	2.8
151.11194	1.9
155.01105	1.7
155.10669	2.7
159.11748	1.9
165.12808	3.6
169.19513	2.6
171.10309	1.3
173.11748	11.7
177.11279	10.9
177.12669	2.1
189.11243	5.2
221.13873	2.5
227.12796	4.3
228.38385	1.4
229.14349	44.3
245.13803	2.1
257.24863	2.4
275.20056	9.4
277.21606	5.1
283.17572	1.3
283.26404	1.4
293.21103	100.0
294.21487	2.9
301.27304	1.8
327.20685	1.4
349.23843	2.1
367.24823	25.0
371.22821	6.0
444.38184	1.5
521.34717	46.0
522.35242	1.7
539.41565	5.8
556.44427	2.1
556.53015	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	557.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73396	0.4
63.02363	0.7
69.14626	2.2
69.15028	0.9
78.47025	0.4
79.05503	1.7
86.30685	0.5
89.03915	12.8
90.04285	0.6
95.05006	1.1
96.41690	0.5
96.61405	0.5
98.22706	1.2
107.04979	3.4
117.03388	13.4
135.04422	28.0
136.04759	0.5
145.02856	17.2
145.03848	0.6
163.03909	100.0
164.04245	2.1
173.11937	0.5
185.00954	1.5
193.03404	2.4
195.05092	0.6
203.01933	3.2
221.02966	81.0
222.03157	3.7
223.02852	0.6
235.04492	0.5
239.04036	11.3
240.04243	0.7
244.04486	1.0
245.02902	4.4
245.05058	0.5
247.04526	10.4
248.04677	0.9
251.05498	1.1
261.02304	1.1
263.03967	10.6
263.06476	0.7
265.05637	0.7
273.02524	1.9
279.03537	1.6
281.04861	1.1
291.03488	4.3
309.04932	1.0
319.04504	6.3
333.04422	1.1
335.02435	8.7
337.05557	4.2
347.04004	32.5
348.04242	1.6
351.05576	1.7
353.03671	1.3
365.05084	22.2
366.05011	0.8
383.06168	9.5
388.06677	0.7
401.07175	2.8
453.06714	0.9
465.81522	0.5
471.07639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02169	1.1
60.00761	0.9
61.41092	1.0
62.69566	1.0
63.03180	1.0
65.02341	0.9
70.06576	1.9
70.30208	0.9
71.08731	1.1
72.08147	1.1
84.08144	1.8
86.09699	2.4
116.17992	1.3
147.04619	1.1
309.43967	1.1
385.42484	1.0
397.30215	1.3
515.04999	1.1
557.19958	100.0
558.20380	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	557.2003
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
54.51140	1.2
56.96561	1.5
58.72850	1.2
59.94860	1.4
69.57756	4.9
70.06593	2.1
80.34298	1.2
86.09694	1.6
98.97579	5.3
100.81861	1.5
116.98628	2.4
177.05521	1.4
226.15724	1.4
281.10410	2.4
305.10574	3.1
369.91519	1.4
557.19989	100.0
558.20428	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	557.1997
Annotation	Roritoxin D
Peak:m/z	Relative Intensity
54.98454	0.6
56.96569	0.6
69.29999	3.0
75.96847	0.6
82.23643	0.7
84.14598	0.5
91.95953	0.6
98.22678	1.2
98.97585	1.7
122.52555	0.5
135.04427	0.7
137.06004	0.7
143.00092	0.5
179.03813	1.5
197.04865	1.8
197.75725	0.5
201.00705	0.8
207.06471	0.7
215.05782	0.6
245.08632	1.4
263.09451	3.0
345.09952	2.9
437.14929	1.4
496.20718	0.7
557.19928	100.0
558.20105	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	557.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.7
69.03445	0.7
69.81605	1.8
83.08614	1.5
94.12823	0.5
97.02879	0.5
98.23500	0.7
107.08582	1.6
127.03688	1.9
147.04410	0.6
167.06993	0.5
169.04793	1.3
171.02722	0.7
205.08348	0.9
229.06842	0.7
245.11545	2.0
245.52855	0.5
275.07416	0.5
301.09183	0.6
311.14786	0.6
317.08459	2.1
333.07968	8.3
335.09412	4.1
356.87808	0.6
361.11218	0.7
377.19553	1.2
425.18082	1.2
430.86740	0.5
459.18280	1.9
529.22760	2.6
557.21906	100.0
558.22076	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	557.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.4
57.03414	0.4
69.03416	0.4
69.55334	0.5
69.55735	1.0
72.76969	0.3
79.90372	0.3
83.08583	1.3
83.48605	0.3
85.02861	1.2
91.05430	0.5
93.07043	0.6
97.02844	1.2
105.06982	0.6
107.08591	1.4
119.08524	1.2
121.10111	0.7
123.08058	0.4
127.03645	0.9
133.10060	1.0
135.11658	1.4
141.05220	0.5
149.35245	0.3
162.06438	0.4
169.04692	0.4
169.90230	0.3
171.02670	0.4
175.14722	0.6
201.03610	0.5
203.05278	3.8
218.71715	0.3
245.11353	0.8
277.53284	0.4
317.08154	1.0
333.07916	4.3
335.09387	2.2
361.10736	0.4
369.81549	0.3
376.54071	0.3
377.19351	8.7
425.17151	0.8
457.16284	0.8
459.17990	0.9
485.19324	0.4
525.23016	0.4
529.21991	1.1
557.21552	100.0
558.21783	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	557.309
Annotation	Dronedarone
Peak:m/z	Relative Intensity
50.70384	0.7
57.03430	1.3
57.07077	3.4
60.11224	0.7
67.05180	1.0
67.05498	6.8
69.07063	1.2
69.68595	2.9
71.08633	2.2
79.05521	2.0
81.07079	3.7
83.08623	0.8
87.53070	0.9
89.06035	16.1
90.06361	1.2
91.05481	1.9
93.07058	2.8
95.08620	2.2
97.10168	1.1
97.96700	0.8
98.97606	1.2
105.07084	1.4
107.08624	1.7
109.06554	0.9
109.10165	2.0
112.99139	0.8
119.08595	0.9
121.10122	0.8
125.09624	1.6
133.08606	9.0
133.10152	1.4
147.11761	1.0
167.65843	0.7
177.11229	4.0
227.12799	1.0
229.14389	3.7
230.14853	1.2
267.68542	0.8
282.43582	0.9
283.17816	1.0
283.26480	1.2
289.18054	1.9
301.61990	0.9
371.22565	4.1
372.23117	2.2
556.53253	2.5
557.30872	100.0
558.31396	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	557.309
Annotation	Dronedarone
Peak:m/z	Relative Intensity
55.01862	1.5
55.05510	1.6
56.96550	0.7
57.07078	0.8
66.28151	0.7
67.05505	4.9
69.07076	0.9
70.06578	0.8
70.71328	1.0
71.08625	1.3
77.19502	0.6
79.05494	1.7
81.07072	1.7
85.06485	0.5
89.40417	0.6
89.42122	0.6
89.91418	0.5
91.05491	1.3
93.07057	1.6
95.05003	0.6
95.08614	1.6
105.07007	0.9
107.08602	1.1
109.10175	2.5
125.09636	0.7
130.37848	0.6
131.08562	0.7
135.11673	0.6
151.11169	0.8
173.11789	0.7
229.14400	1.9
229.67268	0.6
230.14691	1.0
275.20096	0.8
283.26291	0.8
322.32971	0.6
339.22241	0.7
522.35083	0.9
556.53271	1.9
557.30841	100.0
558.31097	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3453
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
51.95783	1.7
54.11721	2.1
54.92973	2.0
55.08902	1.8
57.03427	2.7
57.07071	6.5
57.55896	1.6
57.66669	1.8
59.88041	1.7
63.89339	1.9
67.05519	3.6
69.07063	2.6
71.08648	1.9
79.05502	2.1
79.59553	2.0
81.07066	3.3
85.10164	2.5
89.06039	7.2
97.41325	1.8
107.08630	1.9
109.10120	2.3
133.08614	3.9
141.43230	2.1
208.04643	2.2
283.26385	2.5
394.50076	1.7
409.26068	2.3
556.52777	2.8
557.34460	100.0
558.34625	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	557.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88054	5.6
57.07074	11.3
57.49080	6.5
60.16882	5.5
67.05497	10.6
70.06586	8.4
89.06026	10.0
93.07037	10.3
95.08601	6.7
106.01641	6.1
150.53870	7.9
150.93587	7.5
198.52913	6.1
209.28120	6.4
266.24237	5.7
326.27225	6.3
556.52710	13.9
557.34564	100.0
557.53149	13.6
558.35040	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	557.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	57.2
57.03437	36.8
57.07076	64.1
67.05502	59.7
68.05872	2.9
69.07066	75.5
69.13444	18.6
71.05000	4.4
71.08633	49.1
72.95911	2.4
75.04483	12.2
79.05491	25.5
81.07054	84.2
83.04981	4.6
83.08617	62.4
83.76446	2.6
85.10185	24.3
91.05476	5.5
93.07050	28.9
95.08605	84.2
97.06526	15.2
97.10168	41.3
99.08099	4.4
107.08595	25.4
109.10155	38.4
111.08125	8.3
111.11742	12.9
113.06061	3.6
121.10136	30.7
123.11727	19.2
125.09611	7.4
125.13269	3.8
129.72948	2.9
131.07048	5.1
133.10190	3.1
135.11697	24.3
137.13289	6.9
139.11212	9.0
147.24799	2.9
149.13231	15.4
153.12764	4.8
163.14870	5.6
177.16386	7.1
181.15776	3.4
191.18153	3.4
255.23456	3.4
286.10315	2.6
308.33020	3.4
313.81616	3.0
363.36142	16.2
373.34906	13.4
391.35721	51.0
391.40366	4.2
427.37900	73.1
449.36334	3.8
465.39355	63.1
483.40454	100.0
484.40994	3.0
539.43066	49.1
557.44202	100.0
558.44702	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	558.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.6
65.03930	2.3
69.12827	8.4
74.14198	1.5
75.04478	2.4
78.04717	2.5
84.67921	1.5
85.02927	1.7
86.09718	1.4
91.05491	6.3
93.03417	10.9
93.07055	3.9
95.04973	4.8
97.06538	2.2
98.22688	3.5
103.05486	4.6
105.04575	1.5
105.07036	3.0
106.04178	20.3
107.04994	2.1
109.06562	2.0
121.05714	3.1
121.06509	28.7
122.07342	1.7
125.06003	6.8
131.04970	3.1
133.06502	1.9
134.03693	3.5
136.34369	1.7
137.05986	4.3
139.07608	1.9
142.17464	1.6
148.05179	2.5
149.05988	39.3
153.05473	2.4
153.09128	11.1
161.06015	4.3
165.05530	3.3
167.07108	3.5
177.05457	21.3
181.08607	13.8
191.07047	3.2
193.08604	2.7
202.58406	1.8
209.08099	100.0
253.67160	1.5
301.07492	1.9
322.84204	1.6
369.13354	2.5
387.14349	5.1
443.82086	1.8
559.16321	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	558.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55343	1.5
61.56466	1.4
64.56795	1.5
65.03944	3.5
67.05519	2.1
69.03413	2.2
69.40794	7.3
70.06582	6.1
72.08144	2.2
73.47846	1.3
80.45758	1.4
84.08181	1.4
85.02888	2.2
86.09708	3.7
91.05492	4.7
95.04984	1.8
100.25873	1.5
105.07030	1.6
107.04949	2.4
110.03661	1.6
119.04951	2.5
121.06509	3.9
137.05980	3.8
138.03122	1.8
147.04407	5.0
149.05972	1.6
151.07524	5.0
153.05470	5.3
166.88300	1.4
167.07022	10.2
167.08282	1.7
171.06560	4.0
179.07030	34.1
181.04958	73.4
181.06343	2.9
181.08549	6.2
182.05273	1.6
192.04219	1.7
193.08603	1.7
203.40002	1.3
207.06522	100.0
208.06879	2.2
213.09137	2.0
224.92068	1.4
226.06163	1.7
241.08575	4.1
273.11258	4.9
274.11554	1.6
291.75024	1.5
301.10721	9.3
318.11023	1.8
333.13348	36.3
361.12799	23.2
379.13898	19.3
559.18750	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	558.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73340	0.8
55.05501	1.7
55.80409	0.8
56.05032	3.3
58.79384	0.8
61.63713	0.8
62.47926	0.8
67.05503	3.7
69.07063	1.9
71.07375	13.8
78.34344	0.9
81.07056	2.8
83.08595	1.0
86.09706	77.9
91.05500	1.2
95.08598	1.8
98.23480	3.2
103.60092	0.8
104.10735	3.3
110.26451	1.0
111.90213	0.8
121.13383	0.8
131.23152	0.8
162.95576	65.9
166.20258	0.8
236.05035	0.9
255.16402	0.8
337.27420	3.4
339.77783	0.9
459.18622	1.0
499.22226	100.0
500.22604	2.8
558.29535	50.9
559.29663	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.158
Annotation	Planifolin
Peak:m/z	Relative Intensity
56.35173	8.7
60.04515	17.9
69.12135	42.4
69.12540	21.6
71.98845	9.0
79.88646	10.4
86.09707	64.6
112.44176	10.7
119.87099	8.9
156.04800	41.0
173.12932	10.3
181.05891	10.8
204.28845	10.0
281.35159	11.3
284.13223	51.6
314.17041	17.9
430.19904	10.9
524.43134	10.1
527.15271	12.0
559.16144	100.0
559.23834	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1583
Annotation	Planifolin
Peak:m/z	Relative Intensity
55.01836	3.4
70.83644	4.2
76.13391	3.0
93.99886	3.7
98.97566	4.0
106.04185	5.3
116.98719	4.0
121.06512	5.2
122.93298	3.0
128.98592	3.8
147.04347	3.5
149.05960	7.1
177.05519	5.0
181.08633	6.1
182.09142	3.7
201.85104	3.6
209.08055	17.5
210.08440	11.5
314.61322	3.2
337.03571	4.0
559.15936	100.0
560.16254	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	559.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
63.28868	1.6
69.15094	8.9
79.05499	3.1
81.03444	1.6
81.07021	1.4
85.02924	1.4
91.05499	2.6
95.08656	1.9
98.23369	2.6
103.05515	3.4
105.07026	24.2
105.83864	1.4
106.04152	2.3
107.04984	1.8
115.05439	7.7
118.04137	2.9
121.06541	4.1
121.40880	1.4
123.02675	4.1
131.04970	2.5
131.72380	1.3
133.06493	22.6
134.07152	1.7
144.05716	2.2
147.04451	1.5
149.05988	18.0
151.02151	8.4
160.47926	1.4
161.01723	1.6
161.05991	44.3
161.07335	2.2
162.01335	3.7
162.06757	5.3
164.08253	1.6
167.07056	12.3
177.05507	2.2
179.01604	10.2
184.04993	14.8
185.05795	6.2
189.05437	3.8
190.00806	2.4
191.07077	2.5
193.08606	31.9
204.07861	4.6
205.03185	5.9
208.01817	2.1
209.07986	1.5
211.04291	2.4
215.06787	100.0
217.04639	2.0
223.04240	37.6
231.06273	2.1
232.07074	80.0
233.07860	9.0
237.05846	9.3
267.06851	11.8
274.08084	6.8
275.08902	2.8
285.07797	1.5
307.06104	80.0
348.08640	3.7
499.13867	4.5
559.16016	46.4
560.16791	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78021	0.6
67.05515	0.7
71.47108	0.6
118.38191	0.7
165.74379	0.8
187.37668	0.8
232.07100	2.0
233.86093	0.7
245.06361	1.6
269.35962	0.7
289.05319	1.5
293.19623	2.1
311.21494	4.9
329.21771	3.0
332.48511	0.7
353.22061	1.1
357.82382	0.7
421.23474	0.8
455.25665	0.7
473.26782	5.0
515.28375	13.3
559.27240	100.0
560.27686	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	560.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01859	0.5
55.05290	0.4
55.05511	4.0
57.07074	17.8
65.03943	0.6
68.06697	0.3
69.03423	1.6
70.69866	0.5
73.02934	0.3
73.06553	1.0
79.05509	0.4
81.03428	1.6
85.02900	2.4
87.00830	1.6
87.04423	0.3
91.05479	0.5
95.08597	0.5
95.43090	0.3
97.02892	1.5
99.04459	0.5
105.01864	1.2
105.07047	0.9
108.57109	0.3
109.02861	1.0
121.02865	2.0
121.03833	0.4
123.02624	0.3
127.03925	1.8
128.01173	0.3
129.06995	0.6
131.08609	0.4
132.29575	0.4
133.06493	0.6
134.06845	0.5
145.04964	0.5
149.02336	100.0
150.02673	1.2
159.02864	1.0
161.05968	2.1
162.06346	0.6
167.03407	1.2
175.07533	4.2
179.01543	0.4
185.05647	0.5
193.08469	0.6
194.09024	0.3
203.07054	6.9
205.08589	8.6
215.06798	2.0
216.07198	0.9
221.07982	1.7
223.04179	0.4
223.09645	0.7
224.04590	0.4
230.17050	0.4
232.07188	0.5
233.07486	0.4
277.14340	42.2
278.14670	1.1
284.45667	0.3
295.15442	2.8
307.06149	1.6
308.06421	0.8
500.14557	0.4
560.31891	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37642	0.3
51.43650	0.3
53.03944	0.4
55.01876	0.4
55.05507	4.1
57.07074	16.6
59.63856	0.3
61.02934	0.4
65.03950	0.7
67.77200	0.3
69.03427	1.0
69.17229	1.9
70.06662	0.3
71.04979	0.4
73.02912	0.4
73.06555	0.8
81.03411	1.6
83.77325	0.3
85.02914	3.3
87.00822	1.2
91.05479	0.6
97.02871	1.7
99.04443	0.6
105.01855	0.7
109.02868	1.3
121.02879	2.3
127.03921	1.7
131.08545	0.7
133.06464	0.5
134.06848	0.4
138.76469	0.3
145.04977	0.6
149.02338	100.0
150.02650	1.1
157.06331	0.4
159.02890	0.6
161.05984	1.6
162.06303	0.4
163.80827	0.3
167.03352	1.3
175.07538	3.7
185.05869	0.3
190.05028	0.7
203.07034	6.0
205.08612	8.7
215.06801	1.4
216.07053	0.7
221.08022	1.5
223.09723	0.5
233.30063	0.3
259.94519	0.3
277.14334	38.7
278.14627	0.8
295.15375	2.8
307.06091	1.0
308.06345	0.9
328.43756	0.4
337.11896	0.3
345.10291	0.3
452.16562	0.3
560.16235	0.5
560.32153	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
55.05510	2.3
57.03421	0.3
57.07076	2.2
61.02930	0.4
61.09174	0.3
65.03943	0.8
69.03428	1.0
70.85886	0.6
73.02917	0.5
79.05499	0.4
81.03425	1.1
85.02921	2.6
87.00819	1.0
91.05503	0.5
95.08628	0.4
95.14618	0.4
96.27914	0.3
96.96325	0.3
97.02897	0.6
99.04462	0.4
105.07005	0.8
109.02856	0.5
109.10145	0.3
112.47129	0.3
114.09978	0.4
121.02862	2.4
127.03866	1.0
133.06465	0.5
145.04970	0.5
149.02341	100.0
150.02695	1.0
161.05948	0.7
167.03389	1.0
190.04933	0.5
193.08633	0.8
194.08981	0.4
203.07053	0.4
205.08611	22.8
215.06790	1.7
216.07178	0.7
221.08089	0.7
223.04234	0.5
277.14346	12.9
278.14645	0.4
295.15353	1.1
307.06055	1.0
308.06494	0.8
515.31854	0.5
516.32214	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02939	13.6
69.03435	27.8
69.07060	14.9
71.46439	13.2
72.47172	12.4
78.84002	11.7
81.03417	29.2
81.07085	24.9
83.08614	11.2
85.02916	60.3
87.00845	30.3
95.08597	14.9
97.02888	33.0
99.04476	13.7
105.01896	32.9
105.07066	19.3
107.08611	12.1
109.02905	34.6
119.08593	25.4
125.06034	34.7
127.03954	57.9
133.10097	15.8
145.04994	27.7
147.11673	13.2
159.02925	11.5
163.14807	11.8
231.05048	15.0
231.21095	23.0
259.20541	18.0
266.17133	11.9
266.77136	13.0
277.21613	100.0
311.07187	11.9
525.26910	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	560.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33343	8.4
55.05488	11.2
61.14635	9.3
67.05507	30.1
75.67404	9.1
79.05463	13.9
81.07059	25.4
86.09698	32.1
91.05479	13.4
93.07044	20.3
95.08602	17.8
104.10749	100.0
105.11092	14.6
109.10120	15.2
119.08565	10.0
121.10152	12.0
131.08522	10.6
145.10086	11.5
173.32782	9.1
243.21121	15.2
261.22205	50.5
270.02588	9.9
299.07242	10.7
353.26727	24.9
501.22150	32.0
560.29047	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	29.7
67.05513	99.7
69.03419	15.2
69.81660	17.1
71.46523	15.8
79.05489	33.5
81.07063	55.3
81.99358	17.6
86.09694	26.3
93.07088	35.0
95.08611	41.3
105.07008	17.7
107.08606	27.1
109.10165	100.0
118.13246	17.0
119.08556	29.2
121.10170	35.1
145.10080	15.9
173.11774	20.5
173.13287	18.8
181.12708	16.4
191.21576	17.1
259.07990	19.5
261.22192	72.3
335.25546	28.5
353.26901	30.4
371.23996	24.1
383.24448	40.5
395.02948	17.4
449.81125	21.3
493.64893	19.5
501.22238	23.8
560.29224	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69081	0.7
56.96564	1.4
68.47267	0.6
70.06599	0.8
71.47229	0.7
81.06676	0.7
86.09709	1.2
163.71709	0.8
189.99319	1.4
204.21359	0.7
208.00436	5.8
209.01283	1.9
264.90051	0.9
294.17087	0.7
347.99365	1.2
353.03348	0.9
356.02176	2.9
357.03342	0.9
360.01620	2.3
366.00739	2.6
369.02908	1.0
372.01584	2.4
374.02930	6.4
375.03799	4.5
381.02652	11.6
382.03259	0.9
384.01538	19.5
385.06012	5.8
387.03867	3.9
389.05350	5.0
392.04184	1.2
393.04593	0.9
396.01349	0.8
399.03854	42.4
400.04364	1.9
401.05447	2.3
402.02600	27.3
403.07022	2.8
405.04868	1.5
407.06931	0.9
408.01794	1.0
409.05920	0.9
411.03833	7.2
414.02298	1.0
417.04929	100.0
418.05365	1.8
420.03757	3.7
422.05414	2.3
423.03897	1.5
425.04666	1.2
429.04932	17.4
430.05676	1.0
432.03421	1.0
435.05972	18.5
440.06549	3.7
441.04956	16.8
447.05975	8.4
453.04944	0.8
459.06012	21.2
465.04999	2.5
482.07654	3.0
483.05920	2.3
501.07025	9.7
501.15381	1.1
519.08087	15.0
542.09613	1.3
561.09619	5.1
561.17792	1.7
561.25153	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	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
59.81623	0.2
66.48952	0.2
69.17392	0.8
69.17809	0.4
71.04971	0.2
81.03148	0.3
82.03973	0.4
83.01105	1.2
84.01891	0.9
95.01089	3.0
96.01863	1.3
97.02676	0.4
98.23536	0.4
112.01346	1.3
113.02135	3.6
126.02914	0.6
131.04947	0.8
141.05254	0.5
145.46400	0.2
157.04727	1.0
167.03201	0.6
185.04231	6.2
185.05780	0.7
187.03773	0.4
201.03746	1.5
202.04274	0.4
202.06024	4.7
202.72220	0.2
203.05157	1.0
203.06941	0.3
232.07062	0.2
351.10422	0.3
365.12000	1.8
381.11746	0.4
399.14243	0.2
543.18677	0.3
561.19403	100.0
562.19763	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	561.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67205	0.4
53.59037	0.4
54.89273	0.4
69.78817	1.4
70.06585	0.7
73.16039	0.4
81.03175	0.6
82.03950	0.4
83.01101	1.3
84.01875	0.8
95.01079	3.4
96.01867	1.4
97.02664	0.4
98.22800	0.5
112.01341	1.5
113.02116	4.4
126.02871	0.5
127.31978	0.4
141.05212	0.5
157.04742	0.8
167.03186	0.8
167.07144	0.4
185.04218	5.6
191.06773	0.6
201.03748	2.1
201.05428	0.7
203.05318	1.1
217.04764	1.5
232.07057	14.8
233.07655	0.8
236.23862	0.4
303.06659	0.5
313.61926	0.4
335.10959	1.7
351.10645	1.3
363.50241	0.4
367.11890	1.5
384.79147	0.4
407.12939	0.8
449.22574	0.4
527.39490	0.4
531.18396	0.7
561.19409	100.0
562.19800	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62906	0.3
66.00836	0.6
69.49337	1.3
72.33311	0.3
82.03963	0.3
83.01103	1.0
84.01890	0.8
85.38040	0.3
95.01081	3.1
96.01870	1.4
97.02616	0.6
98.23479	0.4
99.70412	0.3
103.05495	0.5
112.01332	1.4
113.02141	3.5
131.04961	1.1
139.03748	0.3
141.05260	0.6
157.04715	0.7
167.03224	0.8
185.04230	6.7
185.05779	1.3
201.03740	1.3
202.06009	4.4
203.05304	1.2
211.01855	0.3
220.07268	0.3
345.52664	0.3
365.12192	1.4
381.11777	0.4
399.14145	0.4
467.92920	0.3
561.19415	100.0
562.19751	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	561.1945
Annotation	Diandraflavone
Peak:m/z	Relative Intensity
60.92744	0.9
61.50463	0.9
62.01553	0.9
67.86432	0.9
70.42081	1.6
77.48897	1.0
89.68009	1.0
95.01100	1.7
137.02226	1.1
155.03157	4.5
217.04770	3.8
232.07051	17.4
271.93707	1.3
357.95490	0.9
531.60028	1.1
560.37866	5.2
561.19391	100.0
562.19739	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34628	1.7
69.35042	1.0
82.03965	0.6
83.01105	1.3
83.04973	1.0
84.01893	0.9
86.90274	0.4
89.20025	0.6
93.07028	0.5
95.01094	2.5
96.01867	1.6
98.22710	1.0
100.11317	0.5
109.06579	0.6
112.01341	1.1
113.02146	3.9
116.97353	0.6
126.48598	0.5
131.04979	1.0
133.10063	0.6
133.72429	0.5
141.05255	0.8
157.04802	1.1
164.55269	0.6
167.03156	0.8
167.73248	0.5
185.04221	7.4
185.05719	0.8
187.03690	1.3
201.03740	1.8
202.06001	13.2
203.05269	1.4
365.12070	1.9
377.12067	1.1
381.11542	1.4
381.22736	0.6
498.31271	1.5
499.31546	3.1
560.30878	2.5
561.19299	100.0
561.30707	30.1
562.19604	5.2
562.31195	0.8
564.59070	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
70.61008	1.3
79.05564	0.6
92.36773	0.7
100.77699	0.8
126.79533	0.7
185.04301	1.1
187.76802	0.8
202.06049	1.9
351.10739	0.8
381.26208	1.3
399.27176	66.4
400.27679	2.3
410.91669	0.9
473.31213	0.8
480.99066	0.8
499.32291	2.7
517.17175	4.2
517.23962	0.8
561.17957	7.4
561.32355	100.0
562.32617	4.9
566.01740	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
57.03430	3.2
57.07078	11.2
67.05508	4.4
69.07066	4.0
69.73031	1.9
69.73370	0.8
79.05485	2.8
81.07050	6.5
83.04970	1.6
83.08625	2.0
85.06553	6.5
90.63882	0.7
91.05499	1.9
93.07022	5.1
95.08608	5.5
97.06532	1.3
97.10172	1.0
98.98485	0.7
105.07018	2.2
107.08604	4.3
109.06515	5.5
109.10171	2.5
111.08091	1.0
116.37252	0.7
119.08575	3.1
121.10136	2.7
123.08067	5.1
125.06009	1.0
131.08612	0.8
133.10124	1.7
135.08052	5.2
135.11682	2.3
137.05971	7.8
137.09660	1.2
139.07573	1.4
145.10118	1.7
147.11678	1.3
149.09560	2.0
149.13200	1.0
151.07576	3.0
151.11255	1.3
152.07182	0.7
152.08279	4.4
159.11739	1.2
165.09131	5.3
165.12791	2.4
175.11217	1.3
175.14929	0.9
177.09076	1.1
177.12750	2.1
179.14279	1.6
181.12248	1.0
191.14345	0.9
193.12331	1.0
194.13054	2.7
195.13882	0.8
207.13783	5.2
249.18370	0.8
249.55798	0.7
261.51923	0.7
263.20074	2.2
319.26309	5.2
329.24823	1.1
337.27280	1.3
347.25797	51.9
348.26111	2.0
365.26871	29.0
366.27118	1.1
368.37485	0.7
378.26270	1.6
393.29996	1.7
396.27554	0.8
403.28802	1.3
421.29498	100.0
422.29855	3.3
439.30536	23.7
440.30331	0.9
476.23859	2.6
488.96222	0.8
501.26291	5.6
519.27258	11.1
562.31354	22.7
563.31171	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
55.05524	4.6
57.03437	2.9
57.07077	4.0
67.05511	9.5
67.82925	0.9
69.07077	9.8
69.47307	4.1
71.04979	1.6
71.08606	1.7
79.05499	6.3
81.07058	12.0
83.04995	1.8
83.08622	2.4
85.06538	3.8
86.09696	1.0
91.05481	3.4
93.07057	9.1
95.08614	12.3
97.06527	3.1
97.10157	1.1
98.98479	1.5
105.07021	4.0
107.08611	10.1
109.06519	6.1
109.10153	3.8
111.04429	2.8
111.08083	1.2
119.08593	3.1
121.10138	3.7
123.08072	6.8
125.05988	3.4
133.10136	2.5
133.79869	0.9
135.08058	5.6
135.11711	5.6
137.05968	6.9
143.08591	1.1
145.10147	1.9
147.11717	2.1
149.09674	1.6
149.13313	1.5
151.07558	3.6
151.14738	0.9
153.12694	1.7
161.09663	1.9
163.11159	1.6
165.09097	3.7
165.12799	1.7
167.14308	1.8
177.09218	1.2
177.12752	2.9
179.10722	1.4
179.14310	3.0
181.12250	2.9
193.12306	1.4
208.14729	1.4
208.16971	4.4
221.18944	2.9
235.20514	1.2
257.17450	3.4
263.20099	2.3
291.19336	1.4
305.24747	23.9
319.26352	8.5
347.25821	52.5
348.26132	1.7
365.22678	1.3
365.26941	15.8
390.29895	1.9
393.29861	1.5
403.28012	1.7
421.29517	100.0
422.29730	3.2
439.30606	9.6
501.26141	3.5
519.27271	7.8
562.31305	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1563
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
51.36206	0.5
55.01855	0.7
62.72110	0.5
65.03934	2.0
69.58791	1.5
70.06579	0.7
72.98907	0.6
75.04472	1.2
79.05482	1.2
81.03363	0.5
84.08146	0.7
85.02888	1.8
86.09693	1.1
89.03918	0.5
91.05488	4.9
91.19537	0.5
93.03422	3.9
93.07040	1.9
95.04977	2.6
97.06545	0.8
98.23430	0.5
103.05492	2.4
105.07049	1.2
106.04173	10.6
107.04945	1.5
109.06551	0.9
117.37778	0.6
121.05706	1.0
121.06512	10.1
125.05981	1.8
131.04941	1.5
133.06483	1.0
134.03629	1.0
137.05957	1.5
139.07533	0.9
149.05981	15.4
151.07520	0.8
153.05467	0.6
153.09129	3.7
161.05983	1.0
163.07529	0.7
167.07040	2.2
177.05475	8.4
181.08650	4.8
205.04826	2.9
209.08075	11.6
217.04671	4.0
231.06277	0.8
232.07068	100.0
233.07758	10.4
250.08130	1.0
251.08870	0.6
251.60490	0.6
273.09671	1.0
353.06580	1.9
411.14160	3.8
422.96829	0.6
441.15082	3.9
563.15424	58.7
564.15576	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	563.1741
Annotation	6,8-Di-C-rhamnosylapigenin
Peak:m/z	Relative Intensity
53.03959	0.6
55.01873	0.6
65.03921	0.5
65.72619	0.5
69.03436	1.8
78.04733	1.0
79.05510	1.6
81.03423	1.1
85.02905	4.2
87.35723	0.5
89.10376	0.5
91.05489	1.3
95.04944	1.2
97.02900	1.6
101.95014	0.5
103.63850	0.5
107.04955	3.1
115.08732	0.5
121.06535	0.8
123.04451	2.6
124.05251	1.5
127.03934	0.8
128.06233	1.7
141.07016	1.1
143.08575	0.8
145.04993	0.7
145.06433	0.6
152.00766	0.5
152.04700	1.0
155.07051	1.4
156.05688	4.1
157.06593	1.2
158.19003	0.5
159.08102	1.4
167.07043	34.5
170.07391	1.5
171.08075	2.0
173.06033	1.2
179.07065	1.0
181.08641	3.0
184.05290	0.7
185.04272	0.6
187.07573	2.2
193.08536	0.6
199.07593	2.0
202.06264	1.2
203.03189	1.3
205.08629	1.6
205.34991	0.5
215.06943	1.1
217.08603	13.8
219.06297	1.4
219.08185	1.1
219.10094	0.8
229.08698	0.7
231.08130	0.9
231.10193	9.3
233.09740	1.2
247.07542	1.2
247.09767	1.6
248.08313	0.9
262.09686	0.8
271.09720	0.6
275.06979	0.6
277.08798	0.8
278.09430	0.9
291.10327	0.7
293.08307	0.7
293.11780	0.7
307.09787	0.9
321.11383	0.7
323.12582	0.7
337.10736	1.1
339.12027	0.9
351.12411	1.0
353.10104	0.8
353.14001	0.7
355.11890	0.8
370.10428	2.3
371.11072	1.4
371.15115	0.7
383.14825	7.6
385.16403	6.2
385.20776	0.7
401.12000	17.4
402.12405	0.8
533.16345	12.0
534.16565	0.6
563.17371	100.0
564.17627	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	563.1766
Annotation	Molludistin 2''-O-rhamnoside
Peak:m/z	Relative Intensity
52.16919	2.9
53.03964	2.4
57.03430	6.1
69.32860	6.0
69.33266	6.5
71.04996	39.0
79.26930	2.4
85.02897	36.0
86.09681	3.6
129.03430	3.3
129.05505	6.9
163.03899	9.3
163.40805	2.4
165.01869	4.3
183.02852	2.5
184.07391	4.0
251.07002	12.7
255.06532	8.7
265.08575	8.6
267.06519	87.3
268.07172	10.2
269.10263	2.9
279.06491	14.9
281.08096	2.8
289.08643	4.8
293.08029	23.5
297.07562	100.0
305.08060	3.4
307.09515	14.2
317.07935	3.5
321.07547	43.3
333.07492	11.6
345.07645	10.5
351.08719	26.8
363.08636	18.4
381.09564	15.6
399.10681	37.5
401.21158	5.1
417.11816	64.8
426.80609	3.2
563.26233	4.0
563.35010	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	563.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46621	0.2
66.20973	0.2
69.03401	0.6
69.34306	0.9
73.02875	0.3
78.52844	0.2
79.05461	0.3
84.62986	0.2
85.02861	0.4
95.04948	0.4
97.02892	0.2
97.95132	0.2
102.04657	0.2
107.04921	0.8
113.64762	0.2
120.04438	1.0
122.06026	1.4
123.04404	0.7
128.06131	0.3
130.04088	0.3
131.04907	0.3
146.05992	0.4
147.04471	0.4
148.05133	1.0
149.04707	0.6
150.06723	0.4
156.05663	0.6
162.05510	10.8
163.06271	0.3
167.07047	5.1
171.07913	0.3
174.05450	0.8
175.06242	0.4
176.07040	1.7
194.07268	1.4
195.08066	0.3
199.07541	0.5
203.10872	0.2
208.07475	0.4
211.07481	0.7
212.07945	0.3
212.47569	0.2
217.08636	1.5
222.06720	1.9
222.09077	0.8
223.07849	1.1
223.09302	1.1
226.06386	0.4
226.08650	0.5
227.06982	1.1
231.10045	1.4
236.07011	0.3
239.07074	0.7
240.07819	6.1
240.10150	1.0
241.08391	0.8
241.10614	0.7
247.09637	0.6
250.08655	1.0
251.08980	0.9
252.07816	0.5
252.10104	0.7
253.08472	0.4
254.08118	11.2
268.09680	9.2
269.10452	100.0
270.10806	2.4
383.14893	1.0
385.16379	0.9
430.14923	1.4
431.15424	6.7
562.39679	1.1
563.19934	13.3
563.39374	0.4
564.20447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
62.50891	0.3
70.73652	0.4
72.15205	0.3
73.02887	0.3
107.04900	0.8
120.04434	0.7
122.06001	1.6
123.04436	0.5
133.06250	0.3
148.05173	0.4
162.04193	0.5
162.05508	9.3
174.05466	0.7
175.06245	0.6
176.07051	1.3
179.57048	0.3
194.07294	1.6
195.07941	0.6
211.07521	0.6
212.07939	0.5
221.05972	0.3
222.06709	1.1
222.09109	1.0
223.07518	0.8
223.09531	0.8
225.09311	0.4
226.06320	0.5
226.08554	0.7
227.07037	0.5
239.07040	0.9
239.09344	0.3
240.07817	5.7
240.10153	1.0
241.08455	0.5
241.10562	0.8
250.08644	1.1
251.09023	1.1
252.07843	0.6
252.10257	0.7
254.08131	9.7
255.08414	0.4
268.09662	8.4
269.10452	100.0
270.10806	2.6
315.08844	0.4
430.15167	1.4
431.15479	7.1
562.39417	0.5
563.19958	12.7
563.28217	0.4
564.20764	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
55.01865	1.3
55.51157	0.3
57.03428	1.0
61.02925	2.5
64.23837	0.3
65.03931	0.3
69.03433	7.0
70.06599	0.5
70.65298	0.5
71.04976	0.7
72.26143	0.3
73.02912	0.7
77.03906	0.5
78.04710	3.2
79.05498	6.5
81.03424	2.9
81.07057	0.8
85.02907	13.3
86.00098	0.3
87.04448	0.7
91.03954	0.6
91.05473	3.0
93.07035	1.1
95.04970	2.8
97.02895	6.1
99.04427	0.6
103.05477	0.6
105.04517	0.9
105.07007	1.1
106.04177	1.9
107.04960	13.1
109.02853	1.8
115.05467	2.0
116.06224	0.6
116.14085	0.3
117.07026	0.8
119.04971	0.5
121.06511	1.5
122.03663	0.7
123.04430	8.5
124.05219	4.4
125.05968	1.2
127.03919	2.4
128.06218	4.2
129.07004	2.6
131.04929	0.6
131.08542	1.7
133.06468	0.8
134.03629	0.9
135.04460	0.4
137.05995	1.4
139.07487	0.4
141.06964	3.2
142.07750	0.8
143.07593	0.4
143.08539	2.2
144.05724	2.0
145.04997	1.9
145.06480	1.2
147.04431	0.4
148.05247	0.3
149.02374	0.4
149.05978	1.0
151.03900	2.2
152.04684	2.5
152.06207	0.8
153.05830	0.3
153.06990	1.4
155.06078	0.5
155.07036	1.7
156.05701	9.1
157.06529	2.7
158.07233	1.0
159.08054	4.9
161.06027	1.3
163.03917	0.4
166.06276	0.7
167.07037	100.0
168.07362	1.3
169.06491	1.1
169.07758	0.5
170.07254	5.6
171.08063	5.1
172.05237	0.7
173.05978	1.7
174.06728	0.5
175.07501	0.6
177.05510	0.7
179.07053	3.1
181.08621	7.6
184.05199	2.0
185.05975	0.7
186.06627	0.8
187.07549	7.5
188.08316	1.1
190.06259	0.8
191.07033	0.7
191.08580	0.7
193.06940	0.3
193.08556	1.7
195.08197	0.4
198.06758	1.3
199.07542	7.1
201.05479	1.1
201.09088	1.1
202.06195	2.9
202.07808	0.6
203.08672	0.7
203.10693	1.4
204.07733	0.6
204.26350	0.3
205.06633	0.7
205.08565	5.3
206.07204	0.4
207.06480	0.9
207.08189	0.7
207.09985	0.3
208.05167	0.4
208.08762	0.4
214.06192	0.4
215.06966	3.8
215.08617	0.6
216.07817	2.6
217.08592	30.2
218.07310	1.3
219.08037	2.3
219.10149	1.0
220.08803	1.2
221.06046	0.6
221.09711	0.4
229.08601	2.3
231.08124	1.8
231.10152	28.4
232.08838	0.9
233.05972	0.4
233.09613	2.1
234.06773	0.9
235.07451	1.6
236.08275	0.8
237.09105	0.7
239.10770	0.3
243.08060	0.5
245.05763	0.4
245.09674	0.7
246.06723	0.6
247.07460	2.3
247.09683	6.9
248.08337	2.7
249.05484	1.3
249.09106	0.9
250.06296	0.8
250.09906	0.8
251.06982	0.4
251.10713	0.7
259.07507	0.5
260.08344	0.9
261.05502	0.4
261.09119	2.1
262.06207	0.7
262.09790	1.0
263.07040	1.8
263.10608	1.7
264.07779	2.9
265.08621	1.7
269.08035	0.4
271.09741	1.2
274.06284	0.7
275.07092	1.2
276.07837	1.5
277.08600	1.2
278.06369	0.4
278.09317	1.9
279.10229	2.4
280.07700	0.3
280.10571	0.6
281.08041	0.8
289.08481	0.9
290.09399	1.2
291.07028	0.6
291.10095	3.0
292.07291	1.5
292.10684	0.7
293.08035	1.9
293.11621	1.2
294.08685	0.5
295.06021	0.5
295.09647	0.8
299.09213	1.1
303.06750	0.4
304.07135	0.5
305.07996	0.8
305.11563	0.7
306.08859	0.6
307.06195	0.5
307.09497	3.0
308.10422	1.1
309.11102	0.5
311.09003	0.4
311.12552	0.6
315.08737	1.2
318.08682	0.3
319.06271	0.4
319.09583	1.7
321.07529	1.0
321.11166	2.0
322.08286	0.8
322.11743	0.6
323.09213	0.7
323.12830	1.9
324.10001	0.4
325.10745	0.7
325.14255	0.7
330.10995	1.6
331.11795	2.1
335.09109	1.3
336.09940	0.7
337.10617	2.7
338.07764	0.6
338.11453	0.4
339.12192	1.6
343.11804	0.6
350.11505	0.5
351.12296	3.4
352.12973	0.5
353.10266	2.1
353.13437	1.8
355.11658	0.7
357.13254	0.8
367.11594	0.5
368.12506	2.9
371.14865	1.1
383.14877	22.5
384.15384	0.9
385.16440	16.8
386.17096	0.4
401.16016	8.1
502.87726	0.3
517.93188	0.3
533.24933	0.4
563.19305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63313	1.1
71.47692	1.1
120.82469	1.0
129.13507	1.0
242.80905	1.0
271.86285	1.1
301.11972	1.2
306.28793	1.1
351.54929	1.1
411.12381	1.0
433.28674	4.7
457.33243	1.1
489.27396	2.0
517.41559	1.1
545.33453	1.4
563.34894	100.0
564.35242	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	563.3556
Annotation	Amphidinolide B
Peak:m/z	Relative Intensity
55.05517	0.8
57.03453	0.5
67.05505	4.5
69.07088	0.6
69.16403	0.8
69.16801	1.9
71.04998	0.6
79.05499	1.2
81.07062	2.1
83.08642	0.8
86.09719	0.9
91.05482	0.9
93.07060	1.1
95.04958	0.4
95.08605	1.5
97.10191	0.7
99.83526	0.4
104.10752	4.0
105.07085	0.8
105.11105	1.0
107.08626	0.8
109.10156	4.1
125.09682	0.9
135.11757	0.5
142.62514	0.4
150.23358	0.4
173.11708	0.7
190.09009	0.5
195.10001	1.0
211.09512	0.9
221.12108	0.4
229.14369	0.6
251.12648	1.4
267.11984	0.7
335.21960	4.5
375.25168	0.6
391.24655	2.7
465.03497	0.5
504.24225	1.2
545.34424	7.6
546.34338	0.5
563.35608	100.0
564.35889	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50777	0.2
62.52991	0.3
65.37440	0.2
70.47498	0.5
80.98123	0.2
81.03384	0.3
96.14378	0.2
106.06552	0.6
106.74306	0.2
107.04945	0.4
116.04955	0.6
119.04895	0.6
134.06013	2.0
135.04402	1.4
137.05942	0.5
144.04411	0.3
146.05971	0.3
162.05508	5.4
172.81787	0.2
241.07378	0.8
250.15733	0.2
256.09680	100.0
257.10052	1.9
418.14932	0.4
564.20746	27.6
565.20966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87130	1.0
55.05502	1.7
67.05496	2.4
69.07076	1.1
79.05499	4.2
81.07050	6.1
82.95977	0.8
89.03911	7.9
91.05482	2.3
93.07043	3.6
93.49661	0.9
95.08608	2.4
105.07053	4.6
107.04964	2.7
107.08604	4.1
109.10130	1.5
110.10896	1.0
116.71082	0.9
117.03400	7.5
119.08585	9.6
133.10130	3.0
135.04417	17.0
135.11771	2.2
145.02850	12.0
147.11708	2.1
159.11746	2.6
161.13269	3.7
163.03909	100.0
164.04185	1.6
172.18927	1.0
189.16432	6.3
198.24347	0.9
217.15945	2.6
349.23575	1.5
419.73798	1.0
444.54083	1.0
463.75217	0.9
565.18109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05048	0.8
58.06630	0.6
60.08165	6.6
67.05492	0.2
69.59543	0.5
71.07376	3.1
75.43755	0.1
79.05502	0.2
81.07040	0.2
84.01302	0.1
86.09708	31.3
87.10023	0.2
95.08611	0.2
98.98475	2.9
104.10745	4.5
117.12142	0.2
125.00008	21.1
174.73364	0.2
184.07344	100.0
185.07712	0.7
258.11105	0.3
486.50818	0.1
516.83698	0.2
546.28424	1.0
564.29327	6.5
565.12915	0.8
565.28906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13768	0.1
55.05492	0.2
56.05021	0.5
58.06628	0.6
58.66188	0.2
60.08165	6.6
66.04565	0.2
67.05505	0.2
69.14088	1.1
71.07375	3.1
86.09708	32.9
87.10041	0.3
91.05515	0.2
94.77573	0.2
98.98468	3.1
99.00356	0.2
104.10744	5.0
116.25745	0.2
125.00005	21.8
135.71858	0.2
137.35379	0.2
184.07344	100.0
185.07684	1.3
258.10999	0.3
373.78256	0.2
493.93884	0.2
546.28143	1.3
564.29309	7.7
565.29572	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.6
58.06609	0.4
59.07381	0.3
60.07869	0.4
60.08166	7.2
62.92857	0.2
63.20433	0.2
67.05511	0.3
69.07057	0.2
69.18793	0.8
69.19200	0.4
70.06551	0.2
71.07011	0.3
71.07373	3.4
79.05488	0.6
81.07056	0.9
86.09708	31.0
87.10049	0.3
98.98476	2.4
104.10746	12.0
109.06542	0.3
109.10128	0.3
125.00005	21.4
140.27095	0.2
141.27348	0.2
155.73199	0.2
184.07344	100.0
185.07684	0.7
214.32381	0.2
253.56561	0.2
258.10983	0.4
297.98672	0.2
440.20404	0.3
546.28339	2.1
564.29346	11.2
565.29523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55147	5.8
52.74843	5.7
55.05503	24.9
57.03435	15.1
67.05512	51.5
69.03426	8.8
69.07056	23.4
69.84549	18.6
73.26656	5.9
79.05511	37.1
81.03385	8.1
81.07060	39.1
83.04989	8.6
83.08616	23.3
85.02897	10.6
88.11901	5.3
89.57191	6.3
91.05463	41.3
93.07044	43.2
95.04971	44.2
95.08602	21.7
97.10189	9.9
98.22720	9.9
105.07034	39.1
107.08567	31.0
109.10133	16.8
111.04465	8.5
117.07021	14.4
117.30260	6.1
119.08586	22.5
121.10150	19.2
125.09628	13.2
127.63776	5.7
129.06990	8.5
131.08540	25.3
133.10126	23.3
135.08119	12.6
135.11688	11.8
145.10147	18.6
147.11655	12.4
149.09625	28.9
153.78516	7.0
157.10039	9.8
159.11703	23.5
163.11209	20.1
173.13199	7.6
177.12840	9.0
184.07281	11.5
189.11211	13.7
223.13255	23.2
235.16951	8.5
239.18112	7.1
255.15985	9.2
257.18961	14.6
269.17542	18.8
272.47513	6.4
275.20053	70.4
293.21021	34.0
309.20535	30.3
331.66333	7.5
349.23730	63.0
367.24847	100.0
487.77255	6.2
565.26117	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.5
55.05519	10.8
55.43322	1.8
57.03435	5.2
61.02916	3.8
62.76568	1.9
67.05512	23.5
69.07069	12.1
69.65577	3.7
76.49033	1.8
79.05496	23.6
81.03431	4.1
81.07059	55.9
83.04980	3.2
83.08618	9.9
85.02911	3.5
85.06550	3.0
91.05479	20.1
93.07043	17.2
95.04975	5.6
95.08617	15.3
96.87769	2.4
97.02886	2.5
97.06525	7.6
97.10173	2.4
105.07024	15.2
107.04971	7.9
107.08588	12.8
109.06523	18.6
109.10153	4.6
111.08092	2.1
117.06998	2.7
119.08587	16.6
121.06542	2.8
121.10149	8.9
123.08089	4.6
123.11680	3.0
129.06996	2.2
131.08556	8.8
133.10135	10.2
135.11693	5.2
145.10114	7.7
147.11674	15.2
149.09630	6.4
149.13272	4.5
157.10144	3.0
159.11717	4.6
161.13271	3.9
163.11186	3.5
163.14836	1.9
165.12752	3.8
173.13257	4.1
177.12823	2.9
197.13191	2.6
207.13884	2.0
229.19473	2.3
239.07082	2.5
255.15767	4.4
256.09750	3.2
257.18985	2.0
269.17468	8.2
275.20111	27.3
293.21155	6.3
349.19412	3.9
349.23718	71.4
350.24130	2.5
367.24814	100.0
368.25357	4.7
519.84558	2.4
564.29388	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	564.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	4.0
55.05515	12.2
57.03432	3.7
59.04988	1.5
59.87425	1.4
61.02915	2.2
67.05504	16.8
69.03411	3.8
69.07076	7.7
71.04978	1.9
73.78257	1.3
79.05489	13.9
81.03375	3.1
81.07059	15.0
81.69611	1.2
83.04987	6.4
83.08623	12.3
85.02906	4.2
85.06536	2.0
87.00798	1.3
88.00626	1.4
91.05495	11.3
93.07041	14.3
95.04971	25.5
95.08615	10.1
97.02914	3.5
97.06499	4.0
97.10174	7.2
99.04457	4.5
105.07035	12.2
106.97202	1.3
107.04938	5.4
107.08588	17.0
109.06512	4.4
109.10150	6.3
111.04443	5.8
111.08076	3.4
112.65503	1.4
117.07014	5.3
119.08574	9.7
121.06553	2.5
121.10164	10.8
123.08095	3.9
123.11761	1.6
125.09621	3.8
127.03887	1.8
129.06981	2.2
131.08562	5.4
133.10136	8.9
135.02676	1.4
135.08031	3.2
135.11708	3.8
143.08598	1.7
145.10110	10.3
147.08066	3.0
147.11682	6.0
149.09613	10.1
149.13162	2.0
153.12711	2.4
157.10136	1.5
159.11652	3.9
161.13293	1.9
163.03964	1.9
163.11163	12.6
167.98019	1.5
169.10266	1.8
173.13312	2.7
177.12784	1.6
183.11664	1.6
187.11334	1.8
189.11237	5.3
205.12155	2.2
213.20259	1.4
223.13306	16.4
229.14339	7.0
236.99075	1.5
252.22183	1.4
257.19052	4.8
275.20071	23.2
293.21115	14.4
299.23715	2.5
309.20682	3.2
349.23776	9.2
367.24792	100.0
408.11475	1.4
529.29785	1.9
565.25598	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.6
55.05515	24.7
57.03444	16.7
58.07417	5.7
61.02939	10.5
62.64576	5.3
67.05512	91.2
69.03419	8.5
69.07065	31.4
70.95733	9.4
71.04987	11.9
79.05495	92.7
81.03410	11.1
81.07055	70.5
83.04996	11.6
83.08633	16.4
85.02914	20.7
91.03972	8.5
91.05486	76.5
93.07043	100.0
95.04970	16.0
95.08620	44.1
97.02884	7.7
97.06528	9.5
103.72644	6.0
105.04550	6.3
105.07040	66.2
107.08591	48.6
109.06535	10.6
109.10181	46.3
111.04449	10.2
111.08107	7.5
117.07014	21.2
119.08601	50.0
121.10164	47.6
129.06992	8.8
131.08559	29.8
133.10123	49.9
135.08073	8.2
135.11705	24.5
137.06003	9.1
137.09616	8.8
139.11237	5.2
141.94940	5.0
143.08580	9.6
145.10133	18.2
147.11725	27.7
149.13283	20.3
159.11740	25.6
160.99695	6.4
161.13295	18.8
163.11232	5.4
163.14857	5.9
171.11742	12.0
172.76614	5.7
173.11737	21.2
173.13286	18.1
175.14804	6.8
179.14264	7.6
185.13240	9.1
199.14844	12.6
213.73958	6.7
228.23369	7.4
229.14400	58.8
241.19508	22.2
259.20578	62.9
269.17328	6.6
273.08234	5.4
275.20160	13.8
277.67883	6.3
305.24680	7.2
307.25177	9.0
319.26218	6.6
333.24240	16.3
347.25861	16.0
348.26068	17.9
349.26520	27.9
351.25220	69.3
366.27402	9.0
367.27676	12.3
421.29462	16.3
422.29700	16.5
423.30145	78.2
564.31927	9.3
581.33630	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	6.6
55.05515	24.7
57.03444	16.7
58.07417	5.7
61.02939	10.5
62.64576	5.3
67.05512	91.2
69.03419	8.5
69.07065	31.4
70.95733	9.4
71.04987	11.9
79.05495	92.7
81.03410	11.1
81.07055	70.5
83.04996	11.6
83.08633	16.4
85.02914	20.7
91.03972	8.5
91.05486	76.5
93.07043	100.0
95.04970	16.0
95.08620	44.1
97.02884	7.7
97.06528	9.5
103.72644	6.0
105.04550	6.3
105.07040	66.2
107.08591	48.6
109.06535	10.6
109.10181	46.3
111.04449	10.2
111.08107	7.5
117.07014	21.2
119.08601	50.0
121.10164	47.6
129.06992	8.8
131.08559	29.8
133.10123	49.9
135.08073	8.2
135.11705	24.5
137.06003	9.1
137.09616	8.8
139.11237	5.2
141.94940	5.0
143.08580	9.6
145.10133	18.2
147.11725	27.7
149.13283	20.3
159.11740	25.6
160.99695	6.4
161.13295	18.8
163.11232	5.4
163.14857	5.9
171.11742	12.0
172.76614	5.7
173.11737	21.2
173.13286	18.1
175.14804	6.8
179.14264	7.6
185.13240	9.1
199.14844	12.6
213.73958	6.7
228.23369	7.4
229.14400	58.8
241.19508	22.2
259.20578	62.9
269.17328	6.6
273.08234	5.4
275.20160	13.8
277.67883	6.3
305.24680	7.2
307.25177	9.0
319.26218	6.6
333.24240	16.3
347.25861	16.0
348.26068	17.9
349.26520	27.9
351.25220	69.3
366.27402	9.0
367.27676	12.3
421.29462	16.3
422.29700	16.5
423.30145	78.2
564.31927	9.3
581.33630	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	564.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	16.7
57.07087	22.5
57.44102	9.2
59.79687	9.8
61.02949	8.7
64.62728	9.4
67.05508	32.3
68.20659	9.6
69.07065	37.1
70.36473	8.7
71.08614	18.1
79.05539	9.6
80.87197	8.8
81.07059	44.8
83.08627	21.5
93.07027	24.5
95.08616	39.5
97.10173	11.2
103.69207	8.5
105.07056	13.1
107.08601	17.1
109.10170	14.6
119.08633	17.9
121.10170	22.1
135.11697	12.3
145.10062	11.9
184.07312	13.3
257.93536	9.6
390.73050	10.0
399.34644	19.8
407.65839	11.0
437.36316	29.1
455.37036	17.1
511.39838	24.7
529.41089	100.0
565.40173	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	564.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	18.9
57.03424	9.8
57.07077	28.4
67.05503	32.7
69.07072	34.3
70.21114	5.6
71.08625	19.4
79.05499	6.7
81.07058	40.7
82.96464	2.6
83.08627	34.6
85.02834	3.3
85.10181	9.7
92.03107	2.9
93.07043	16.5
95.08601	35.7
97.06518	7.4
97.10189	21.7
97.85403	2.6
98.22658	3.3
99.08083	3.1
101.06030	3.0
107.08614	11.8
109.10155	21.9
111.08073	5.9
111.11741	6.9
113.39853	3.1
115.07533	2.7
121.10165	19.1
123.11693	10.4
125.09642	4.4
130.82024	3.0
135.11740	12.8
137.13223	4.6
139.11172	6.7
149.13292	10.1
163.14836	4.6
184.07388	4.6
263.67902	2.7
276.41959	2.6
363.32336	5.6
399.34677	17.9
437.30820	4.6
437.36340	37.6
455.37292	29.8
458.51514	2.8
511.39929	19.1
529.41028	100.0
530.41516	5.8
564.34491	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	565.1193
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
53.03948	1.8
55.01867	1.6
57.03434	1.0
61.02927	0.9
67.17816	0.1
68.99790	1.0
69.03429	7.2
69.35837	0.6
70.06577	0.1
71.04982	1.0
73.02924	1.5
77.07448	0.1
81.03415	7.6
83.50780	0.1
85.02902	11.3
87.00829	5.1
87.04488	0.1
91.03947	0.6
92.02594	0.7
93.03419	0.7
97.02892	4.5
98.22752	0.2
99.04447	2.4
100.05674	0.1
105.01867	3.1
109.02878	6.4
111.00773	0.2
115.03924	0.2
117.01852	1.1
120.08122	0.1
121.02878	0.7
126.03158	0.2
127.03909	9.3
128.04233	0.2
129.01820	0.8
139.03867	0.9
145.04958	3.2
147.02879	0.8
147.04362	0.1
150.03156	0.1
151.03903	0.5
153.01814	5.6
155.19308	0.1
156.47546	0.1
159.02890	4.7
163.03864	0.2
165.01883	0.7
173.05901	0.2
174.37892	0.1
177.03976	0.2
177.05408	0.2
183.02876	0.2
201.05502	0.5
203.03441	0.4
213.03940	0.3
217.04948	0.7
218.05664	0.3
219.02916	0.1
228.04135	1.0
229.04941	2.2
231.02878	0.3
231.05006	1.4
245.04396	0.8
246.05165	1.3
256.03745	0.2
257.04398	2.3
257.07108	0.1
260.03082	0.4
261.07544	0.3
273.03952	1.5
274.04694	3.5
279.12775	0.1
283.05984	0.4
284.03088	0.5
284.06467	0.1
285.03922	4.0
285.07138	0.2
286.04410	0.3
301.03494	0.2
302.04196	10.2
303.04398	0.3
313.07108	0.4
317.06531	100.0
318.06882	2.9
337.06818	0.2
359.07550	0.5
367.08163	0.2
395.85306	0.2
397.08881	0.2
415.09937	0.2
423.50894	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	565.1554
Annotation	Vitexin 4'-O-xyloside
Peak:m/z	Relative Intensity
55.43923	0.6
57.03384	8.3
61.02875	2.4
69.03432	3.6
69.12677	4.4
71.01302	0.8
73.02921	18.3
73.03293	0.9
85.02921	3.9
97.02866	1.6
109.02820	1.9
112.98540	0.6
112.99329	0.7
115.03902	1.6
119.04865	2.4
121.02872	4.9
141.01720	0.7
145.02795	1.6
149.02312	1.8
163.03868	2.3
165.01822	6.6
167.03297	3.2
177.01805	1.1
183.02875	2.4
187.04005	1.1
195.02913	1.4
205.05128	0.9
229.05003	1.1
231.02818	0.7
239.06964	0.8
243.02847	1.4
267.06473	8.3
270.05270	3.5
271.05997	6.4
279.06415	1.5
281.08105	7.0
283.06009	86.1
284.06677	11.6
285.07455	1.0
295.06113	11.0
295.09561	1.8
297.07663	1.9
305.07999	2.1
307.06155	1.9
308.06586	1.5
309.04150	1.0
309.07559	20.6
310.08069	1.0
311.05679	0.7
313.07062	100.0
314.07483	3.8
321.07507	2.2
323.05640	0.8
323.09119	11.8
333.07550	2.4
337.07062	41.8
338.07730	1.1
349.06995	8.6
351.08548	3.4
361.07114	7.8
367.08124	26.4
379.08136	18.9
397.09171	22.1
415.10254	48.2
416.10657	1.7
433.11307	33.1
565.15881	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	565.1555
Annotation	Isovitexin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01853	0.8
57.03436	3.5
57.95760	0.4
61.02932	2.7
65.91898	0.4
66.92915	0.4
69.03426	2.0
69.22817	1.4
69.23216	0.8
71.01333	0.8
73.02916	22.5
81.03395	0.7
85.02486	0.4
85.02902	5.3
87.04436	0.4
92.52026	0.4
95.05026	0.5
97.02859	1.8
103.03922	1.6
107.10922	0.5
108.08092	0.6
109.02869	1.2
115.03937	1.9
119.04922	2.0
121.02878	3.8
127.03918	0.9
133.04967	0.7
136.06195	0.8
136.07587	0.5
141.01772	0.5
143.52124	0.4
145.02832	1.9
149.02303	1.4
153.05399	0.6
157.04987	0.5
163.03918	2.0
165.01839	5.0
167.03381	3.3
177.01796	1.4
177.05461	0.5
181.04913	1.2
183.02867	2.1
187.03928	0.7
188.37141	0.4
190.51018	0.4
191.03391	0.6
195.02881	1.9
199.05943	0.7
205.04788	0.7
207.06500	0.5
215.03362	0.5
229.04941	1.0
239.06961	0.8
243.02788	0.7
247.05925	0.6
267.06506	8.5
270.05270	2.8
271.06027	5.9
279.06516	0.9
281.08069	6.2
283.05997	77.2
284.06696	10.0
285.07401	1.2
293.08090	0.5
294.53146	0.4
295.06070	11.1
295.09579	1.9
297.04425	0.6
297.07489	2.5
305.08072	2.0
307.05942	1.9
308.06787	1.7
309.04041	1.3
309.07520	20.2
310.07852	0.6
311.05511	0.9
313.07043	100.0
314.07373	3.3
321.07507	2.1
323.05679	0.8
323.09103	14.3
325.07050	0.9
333.07663	3.9
335.05338	1.2
337.07034	40.0
338.07285	1.4
343.12708	0.5
349.07050	8.6
350.07416	0.5
351.08612	2.6
361.07059	8.6
367.08109	22.1
368.08228	0.8
379.08115	14.6
380.08508	0.7
397.09177	18.3
415.10220	51.4
416.10339	2.2
433.11288	44.3
434.11780	1.3
529.13489	0.5
547.14404	0.9
565.14807	5.1
566.16150	0.6
572.65717	0.5
588.94080	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05531	1.0
66.29977	0.9
67.05500	2.0
69.90100	1.2
69.90449	3.3
74.17042	1.0
79.05499	0.9
81.07053	2.9
95.08607	1.1
98.23351	1.3
102.35426	1.0
105.06995	1.3
107.08627	1.0
114.38452	1.0
127.03914	1.2
149.02353	6.0
163.03944	3.3
199.07355	1.4
200.20134	1.5
245.07863	1.7
261.07437	2.3
275.11121	1.7
299.12613	7.9
317.13715	14.1
345.12964	2.2
379.24847	1.2
384.32333	1.0
479.18896	13.8
521.19934	36.0
565.18896	100.0
565.89789	1.2
566.19397	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	565.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.7
53.04153	0.5
53.19906	0.5
55.01875	2.8
55.05502	2.3
57.03428	1.3
57.07085	0.5
61.02927	1.1
66.45779	0.4
67.05507	4.3
68.99783	1.2
69.03432	11.0
69.07056	3.2
71.04990	1.1
73.02923	2.3
79.05496	5.6
81.03423	12.8
81.07056	12.1
83.04985	4.7
83.08625	1.1
84.06626	0.4
85.02906	17.6
87.00829	7.3
91.03957	0.9
91.05486	4.6
93.07050	8.4
95.04977	1.1
95.08604	11.4
97.02896	7.0
97.06532	34.9
97.10159	1.3
99.04454	4.5
103.04016	0.4
105.01864	8.9
105.07038	8.6
107.04939	1.1
107.08607	9.4
109.02885	11.3
109.06522	26.5
109.10163	7.3
111.08092	0.7
117.01829	0.8
117.07018	1.4
119.08590	7.3
121.06507	3.2
121.10153	6.7
123.08063	6.8
123.11671	2.3
127.03920	15.9
129.01837	1.3
129.07001	1.4
131.08540	4.7
133.10124	7.9
135.08049	6.4
135.11690	3.9
137.09616	1.1
137.13272	1.2
142.07816	0.5
143.08586	3.3
145.04967	7.7
145.10114	5.3
147.02884	0.8
147.08025	1.5
147.11696	5.8
149.09621	15.7
149.13252	11.2
151.11209	0.7
155.08557	1.4
157.10124	3.9
159.01628	0.6
159.02916	6.7
159.11685	6.3
161.09612	2.8
161.13264	5.5
163.11177	2.9
163.14807	2.2
169.10109	1.4
171.11664	4.0
173.13271	8.1
175.11201	2.4
175.14822	7.6
177.12781	2.3
177.16341	1.3
182.10922	0.5
183.11705	1.8
185.13269	5.5
187.14836	2.8
189.12770	1.9
189.16414	2.5
191.17979	0.8
196.12373	0.6
197.13281	2.0
199.14810	3.3
201.16376	1.2
203.14342	3.0
203.17993	1.4
206.17358	0.5
211.14845	3.3
213.16386	1.5
215.14272	0.7
215.17955	1.0
217.15877	1.4
217.19548	1.2
225.16396	3.5
227.17949	0.8
229.15837	1.6
229.19434	0.7
231.05032	3.5
239.18057	1.5
241.19489	1.7
243.14490	0.4
243.17450	1.9
243.20975	0.5
249.06183	1.2
253.19513	1.3
255.21228	1.2
257.22656	0.8
271.24182	1.0
281.22650	31.5
282.23187	0.5
299.23700	100.0
300.23877	3.1
317.24741	24.0
318.25107	1.0
405.22693	0.5
479.18686	0.6
483.39154	0.5
521.19769	1.7
565.18726	3.4
565.26239	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.6
55.01870	0.4
57.03142	0.5
57.03434	8.1
57.42647	0.5
61.02923	2.3
67.65490	0.4
69.03432	4.2
69.85068	1.4
71.01352	1.1
73.02917	16.1
79.05510	0.6
81.03420	1.1
85.02897	6.3
87.04435	0.7
91.05483	1.0
95.04960	1.3
97.02895	3.1
107.04951	64.9
108.05275	1.1
115.03903	2.0
115.05450	2.5
117.07026	0.8
119.05003	0.6
121.06508	2.1
123.04428	8.6
123.05270	0.6
127.03944	0.9
131.04857	0.5
131.56715	0.4
133.06491	1.1
136.07570	0.4
137.06003	1.3
143.04921	8.6
143.66090	0.4
145.05013	0.6
145.05220	0.7
145.06487	6.7
149.06015	1.3
155.06018	0.5
161.05981	20.8
164.07079	5.3
191.08578	0.7
194.07266	0.7
198.51016	0.5
209.09642	1.9
219.08124	0.9
222.06584	0.4
226.06224	0.6
237.09207	2.7
238.09709	0.5
240.07748	0.6
253.08690	0.7
255.10159	27.9
256.10638	0.7
272.12805	22.9
424.93091	0.5
434.18085	21.0
435.18451	1.2
566.22314	100.0
567.22723	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	566.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01866	0.6
56.29842	0.4
57.03436	8.0
61.02929	2.9
69.03438	3.7
70.03319	0.7
70.03687	0.9
71.01361	0.7
73.02920	17.0
79.05508	0.5
80.36317	0.5
85.02914	6.5
87.04465	1.1
91.05471	0.9
93.07026	0.5
95.04996	1.2
97.02898	3.8
104.07119	0.4
107.04955	66.7
108.05288	0.9
109.02859	0.9
115.03934	2.2
115.05430	2.7
116.05895	0.4
117.07014	1.0
121.06489	2.2
123.04439	8.4
127.03917	1.3
131.04938	1.0
133.06493	1.2
137.05994	1.1
143.04927	8.2
145.04941	0.8
145.06480	8.5
149.05983	2.5
161.05977	23.5
164.07047	5.2
181.06490	0.4
184.23717	0.5
194.07249	0.7
209.09567	2.0
219.08023	0.7
226.06285	0.6
237.09100	3.3
255.10167	39.6
256.10577	1.3
270.10925	0.6
272.12817	27.7
273.13205	1.2
314.13803	0.7
434.18076	21.1
435.18512	1.1
469.11002	1.6
541.53278	0.4
566.22333	100.0
567.22919	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	566.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	11.4
80.22760	3.1
81.03436	3.3
85.02917	7.7
86.09700	21.1
92.11866	3.5
95.46217	3.8
95.56145	3.8
103.83176	3.9
104.10754	7.7
120.12050	4.3
125.00014	14.0
153.05560	4.4
181.04941	13.5
184.07347	50.7
203.08716	5.5
219.08037	5.4
231.08124	8.3
248.08348	6.9
259.07571	5.9
261.09085	7.4
262.09650	3.7
263.10730	7.3
273.09143	8.9
275.07062	3.8
276.07846	10.2
289.08469	8.0
290.09387	5.3
291.10248	19.4
301.08505	8.5
304.07391	7.6
308.09979	6.1
309.11029	3.7
311.12717	3.8
319.09570	40.8
337.10742	3.7
340.12546	4.9
350.26410	3.6
351.12253	73.3
352.12515	3.5
369.13422	14.3
493.45175	3.8
499.15811	32.4
531.18640	100.0
566.31421	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	566.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.0
55.05498	2.2
55.92539	1.2
57.03442	2.2
57.52492	1.2
61.02917	3.0
67.05519	1.6
69.03427	4.5
70.44372	1.2
71.00426	1.3
71.04986	7.8
73.02928	9.9
74.77824	1.2
79.05493	4.6
81.03422	1.6
81.07061	12.1
85.02901	12.2
85.06561	2.1
85.29883	1.2
86.09694	2.4
91.05478	8.9
93.07043	13.4
95.04983	1.7
95.08633	2.0
97.02915	11.6
99.04463	23.7
105.07031	32.7
107.04971	10.3
107.08603	12.2
109.02880	3.0
109.06506	3.7
111.08083	6.4
115.05392	1.3
119.04931	2.1
119.08590	3.9
121.06483	3.2
123.04396	1.9
123.08067	2.5
127.03918	3.9
128.06195	2.1
130.19823	1.2
131.08539	1.8
133.06482	5.7
133.10129	40.7
135.11656	1.9
137.05956	8.3
140.16219	1.4
143.04910	1.3
143.08606	6.1
145.04932	5.7
145.06133	1.3
145.10063	2.8
147.08063	2.0
151.07552	4.9
151.11176	3.2
161.05939	2.1
161.09624	47.4
163.06042	2.0
163.11191	15.6
179.10678	25.3
189.09097	22.4
207.10161	15.2
225.11208	100.0
226.11526	1.5
240.07819	2.5
247.80833	1.4
255.10204	4.6
272.09286	3.3
272.12860	4.5
283.06018	8.2
283.13339	5.2
284.06317	14.8
296.06427	2.6
310.07922	3.8
313.07114	11.6
314.07410	18.9
317.06726	1.4
318.06802	3.9
323.09021	2.0
324.09482	3.8
337.07047	3.4
338.07489	8.5
350.07382	2.8
362.07480	2.4
368.08426	5.4
380.08167	3.8
398.09525	4.6
415.10110	3.7
416.10593	14.4
434.11710	9.0
434.17648	1.6
566.22467	11.2
567.22815	2.2
572.89868	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58570	0.4
55.01886	0.5
55.05510	4.0
57.07080	0.8
57.58714	0.5
58.06586	0.7
65.03930	1.9
67.05504	3.4
69.07073	4.1
69.64461	1.8
70.06584	4.0
73.03536	0.5
79.05501	0.8
81.07052	4.5
83.08622	3.5
86.09696	1.0
86.59229	0.4
91.05477	13.0
93.07005	1.2
95.08601	5.7
97.10173	1.9
102.97976	0.5
107.04958	1.4
107.08624	1.2
109.02824	0.5
109.08112	0.5
109.10152	2.9
111.04391	0.6
114.09144	0.4
119.04941	29.8
119.08572	0.5
121.10154	0.6
123.07988	0.6
123.11730	0.9
133.10152	0.6
135.11678	1.1
135.45645	0.5
139.11069	0.5
147.04408	100.0
147.11674	0.8
148.04700	1.7
161.13229	0.8
164.06996	0.7
182.15439	0.6
184.07327	3.2
187.06662	0.5
210.14922	0.6
224.23764	1.1
235.20496	0.9
252.23236	23.4
253.23619	0.8
255.10182	0.7
270.24258	8.2
279.05038	1.9
288.25357	1.7
312.25336	1.4
330.26511	0.9
382.37271	0.6
384.23660	0.9
402.19873	1.0
402.24811	13.2
403.25366	0.7
416.27890	1.1
420.25900	36.8
421.25992	1.1
548.28430	2.6
566.22217	1.4
566.29510	20.2
567.29999	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05042	0.4
58.06598	1.4
59.07374	1.6
60.07914	0.5
60.08169	5.5
65.85586	0.4
67.05501	0.5
71.07375	2.9
71.45376	0.4
81.07057	0.5
86.09711	30.9
93.07049	0.4
98.98471	3.1
104.10745	5.8
115.97948	0.3
125.00008	19.0
138.50020	0.4
143.01079	0.4
147.11711	0.3
184.07349	100.0
185.07661	0.5
239.09164	0.6
258.10980	0.5
299.11514	0.6
332.30008	0.4
442.22110	1.2
548.29132	0.6
566.31158	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	567.2076
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03957	1.8
55.01878	1.3
57.03455	1.1
61.02917	1.8
65.03953	3.0
67.05525	1.2
69.03427	4.9
71.04994	0.9
79.05504	3.6
81.03440	3.1
81.07049	1.1
85.02900	12.2
87.00799	1.0
91.05503	2.0
93.03407	1.2
94.04179	1.0
95.05009	3.0
97.02914	3.9
97.06495	1.0
100.11266	1.9
103.05455	1.4
105.04498	1.2
105.07056	2.5
107.04943	8.2
109.02895	1.6
109.06548	2.0
109.38507	0.9
115.05471	3.9
117.07017	1.5
122.03651	4.3
123.04482	1.9
124.05200	1.4
125.06005	1.9
127.03934	3.9
128.06256	1.9
129.07004	6.9
131.04926	2.3
131.08603	1.1
132.05754	1.6
133.06528	2.2
137.05981	37.0
143.04962	2.2
144.05717	1.6
145.06499	4.3
149.05986	1.7
151.03912	10.5
153.05475	4.5
155.06024	1.5
155.07065	2.3
157.06488	5.6
158.86526	0.8
159.08127	1.5
160.05234	2.3
161.05949	5.5
162.84058	0.9
163.07608	1.4
165.05478	1.3
167.07039	22.6
168.57143	0.9
171.04378	2.1
171.06534	2.2
172.05186	8.9
173.06010	3.9
174.06825	2.1
175.07564	5.0
177.05522	2.1
181.04951	35.5
183.06607	1.1
184.07391	1.1
187.07574	4.7
188.04756	1.0
189.05469	2.7
189.09061	5.7
190.06236	1.5
191.07060	3.8
195.06516	1.6
200.04720	5.5
201.05444	2.0
202.06129	1.0
203.06995	7.4
204.07814	0.9
205.08659	3.9
207.10349	1.3
209.08115	1.8
211.06203	1.1
215.07147	1.0
217.08636	1.3
218.05717	10.6
219.06393	1.3
221.08015	4.5
231.08064	1.9
233.08087	100.0
234.08565	2.3
235.09726	3.8
245.08107	1.5
247.07710	1.1
249.09120	1.8
251.09277	2.8
258.47101	0.9
262.06238	1.6
263.09167	31.3
265.08694	1.5
277.08676	4.0
279.06784	1.1
281.11652	0.9
285.73608	0.8
293.08191	2.4
297.06281	1.1
297.11295	1.9
301.07147	1.6
309.11353	4.0
316.09305	1.0
322.08453	1.2
325.10574	1.1
337.10849	4.5
338.11432	1.1
341.13870	4.2
351.12347	1.5
357.13351	6.9
369.13391	7.2
387.14374	65.1
388.14795	2.4
389.15860	1.4
405.15366	5.1
566.43311	1.6
567.42981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49984	0.7
55.81493	0.7
59.12788	0.7
59.91164	0.9
69.73624	2.4
81.07015	1.0
98.23413	1.7
105.92321	0.8
127.03960	0.7
145.08618	0.7
235.83269	0.8
251.01837	0.9
349.16779	2.0
476.85840	1.1
549.26721	1.1
567.25879	100.0
568.26190	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	567.278
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.3
69.28484	1.2
79.12108	0.2
83.01098	0.4
100.11255	0.3
111.66354	0.2
122.03447	0.4
122.17770	0.2
123.04216	0.7
126.17666	0.2
169.04716	0.5
184.07379	0.5
221.11758	0.3
243.08371	0.6
279.12061	0.9
305.13507	0.5
309.02426	0.3
315.10565	0.4
327.25259	0.2
333.64999	0.2
335.14621	2.1
353.15717	1.0
381.15259	5.3
381.19620	0.2
385.18317	0.4
391.21167	0.4
395.16437	0.2
405.22977	0.3
423.23688	0.6
451.23230	0.5
481.20270	0.5
493.24353	1.1
507.26190	0.3
511.25262	0.3
549.26959	0.3
567.27753	100.0
568.28009	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	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85477	0.7
65.90983	0.7
67.05513	1.2
71.05003	0.8
81.03436	0.7
81.07056	0.8
85.02936	1.0
86.09705	3.3
87.10017	1.0
91.81422	0.7
105.07076	0.9
109.10181	1.0
112.28602	0.7
125.00037	3.0
127.03815	0.7
133.84695	0.8
157.46953	0.8
164.92044	1.8
174.12061	0.7
184.07346	9.4
185.07735	1.2
271.69092	0.9
331.18854	0.8
370.22958	0.9
381.15536	1.1
405.22455	2.5
567.27698	100.0
568.27899	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	567.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11454	0.8
53.03957	0.9
55.05514	0.8
57.03466	0.9
67.05504	0.8
69.03403	1.0
69.07072	1.2
69.57774	2.3
69.58169	1.3
71.92692	0.8
79.05491	1.3
81.03404	1.1
81.07051	2.2
85.02895	1.4
86.09700	1.4
87.00824	1.6
87.95151	0.7
91.05501	1.2
93.07027	1.8
95.08623	2.3
97.02865	0.9
98.23418	1.1
105.07054	3.3
107.08616	3.6
108.83722	0.7
109.02892	1.9
109.10158	1.9
117.07050	1.1
119.08613	2.5
121.10130	1.7
127.03962	1.8
131.08578	2.3
133.10141	1.6
135.11731	1.4
145.05095	0.8
145.10165	3.4
147.11671	2.2
149.13260	1.1
157.10170	1.7
173.13242	1.5
175.14865	1.2
176.46333	0.8
184.07378	1.7
185.07762	1.0
191.18016	0.8
199.14871	1.3
227.17871	1.0
255.21181	2.2
301.21774	1.9
381.15308	2.1
405.22415	2.6
567.27771	100.0
568.27704	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	568.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80370	0.4
57.03437	2.8
61.02925	1.4
65.03945	1.0
69.03441	2.7
69.43952	1.6
73.02540	0.6
73.02923	8.2
79.05486	1.2
85.02896	2.2
95.04967	0.5
96.04494	1.8
97.02903	2.0
107.04957	6.1
108.05331	0.7
111.04433	0.9
115.03931	1.7
119.53082	0.4
121.02866	100.0
122.03250	1.9
135.04420	10.9
135.05469	0.5
145.02827	0.7
153.07109	0.4
161.06065	0.5
163.03899	9.3
165.07048	0.7
169.75049	0.4
181.04955	47.6
182.05421	0.5
183.08055	0.5
196.05316	0.5
204.15930	0.6
211.07547	3.6
235.97812	0.5
239.07057	3.7
242.03278	0.5
242.05759	9.4
251.97098	0.4
252.97852	0.5
256.10532	0.6
257.08087	62.4
258.08337	1.6
274.10733	19.1
275.11249	0.5
283.08322	0.5
285.10028	0.6
308.09216	0.5
316.11771	0.5
334.10715	1.8
352.11807	4.1
370.12836	3.0
377.98358	0.6
401.12314	0.9
418.15042	0.5
419.12918	0.9
436.16025	46.0
437.16544	2.1
478.16452	0.5
514.16937	4.5
532.17926	1.9
550.18774	0.6
565.57025	0.5
568.20355	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	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.5
55.05512	2.4
69.03426	3.7
69.94599	3.9
72.14082	1.4
73.87411	1.5
79.05497	5.6
81.03397	6.2
81.07079	1.8
85.02895	6.2
91.05437	2.8
94.04195	2.2
95.04987	2.8
97.02904	2.9
100.11269	5.5
101.11607	2.1
103.05473	2.6
104.53767	1.4
105.04528	1.6
105.07069	8.4
107.04946	15.7
113.90398	1.5
115.05437	9.4
117.07021	9.0
119.08646	1.5
122.03661	3.2
123.04433	4.9
124.05203	4.7
125.05953	2.5
128.06230	3.1
129.06990	15.4
131.04948	4.7
131.08556	3.7
133.06476	8.0
137.05977	63.7
141.06915	1.6
143.04906	6.8
144.05659	3.7
145.04893	2.1
145.05205	2.1
145.06479	23.6
146.74774	1.3
147.08104	2.0
149.05983	1.4
150.04410	1.5
151.04041	2.0
151.07629	2.6
152.04694	1.9
153.05440	3.8
155.04872	1.9
155.05968	3.2
155.07083	2.3
156.05717	2.3
157.06464	5.8
159.08057	9.5
160.05194	11.6
161.05978	16.5
163.07549	1.7
167.07036	100.0
168.07378	2.2
169.06432	1.5
172.05208	4.6
173.05995	36.3
174.06679	2.0
175.07535	93.6
176.07909	1.5
177.05516	1.8
178.07831	2.2
181.08731	1.7
187.07536	51.5
189.09085	9.6
190.06230	13.5
190.07686	1.7
191.07008	6.5
191.08586	2.6
193.10208	1.5
199.07475	6.5
202.06062	1.5
202.07726	2.0
203.06990	5.7
203.08601	3.2
205.08597	66.7
206.07312	4.3
209.08168	1.7
215.08530	1.8
217.06763	1.2
217.08589	32.6
218.07269	3.7
219.08099	2.0
219.10112	1.8
221.09651	5.7
231.08040	2.3
233.09657	3.1
234.06738	5.1
235.07579	2.9
235.09633	39.2
237.09019	2.3
241.08609	2.8
247.07494	1.8
247.09656	6.3
248.08276	2.3
249.09122	9.1
251.07010	3.3
260.08133	1.7
261.09161	5.1
263.07108	1.7
265.08224	1.9
265.10739	22.6
266.09329	3.3
277.08502	7.2
278.09433	3.1
279.06674	3.1
279.09894	2.1
281.11694	19.5
285.07706	3.3
289.08578	4.0
293.11694	4.0
294.08862	3.5
295.09634	2.3
300.09839	7.0
301.10709	3.3
309.11206	16.2
310.11813	2.0
313.10474	1.5
321.11136	8.3
323.08957	1.9
326.11359	4.3
341.13843	59.9
343.15350	1.8
353.13831	22.4
371.10651	2.5
371.14847	26.3
409.11655	1.7
567.43250	10.6
568.43250	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	568.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
55.01870	1.7
59.74633	0.9
61.02918	1.2
69.03421	3.4
70.62275	1.1
78.04722	1.3
79.05495	6.1
81.03420	2.3
81.07041	1.1
85.02909	9.7
86.09707	2.3
91.05489	9.2
95.04977	1.7
95.08607	1.1
95.76221	0.9
97.02902	3.3
103.05489	3.7
104.06268	1.0
105.04525	1.1
105.07030	15.4
106.04202	1.3
107.04953	11.0
109.02900	0.9
111.15104	0.9
115.05423	4.8
117.07015	3.0
118.04183	1.7
119.08600	6.1
121.06524	1.4
123.04442	4.5
123.08077	1.4
124.05229	3.0
124.99964	1.5
127.03906	1.9
128.06213	2.9
129.06995	8.5
131.04921	5.7
132.05728	7.7
133.06496	15.2
134.03563	0.9
137.05956	4.0
141.07008	1.5
143.04921	1.3
143.06049	1.5
145.05042	1.0
145.06456	2.7
147.04381	1.1
147.08054	11.3
151.03882	1.0
151.07657	1.3
152.04669	1.8
155.06027	1.4
157.06483	1.7
159.08069	3.5
160.05225	6.6
161.05983	17.1
162.06789	1.2
163.03879	1.0
163.07521	4.4
167.07045	86.6
168.05827	1.0
168.07320	1.7
169.06467	3.2
172.05130	1.8
173.05978	1.1
175.07553	100.0
176.07851	1.7
178.06334	1.1
179.07043	2.7
179.18983	1.1
181.04988	2.1
181.08502	1.6
184.07390	5.0
187.07523	10.5
189.09146	2.1
191.07027	8.8
191.08516	1.4
193.08607	63.3
199.07568	5.0
201.09117	3.4
203.08582	2.3
205.08588	1.5
206.07327	1.2
209.08012	1.6
217.08597	2.3
218.07364	2.1
219.08066	1.7
221.09549	2.2
231.07979	1.6
233.07881	1.7
233.09840	1.4
234.06712	1.4
235.07495	1.9
243.07866	1.0
249.09108	4.1
261.09100	2.5
262.96729	1.1
263.07111	1.7
266.09460	1.2
274.06369	1.0
277.08612	4.0
278.09232	2.0
279.10071	1.3
281.11786	4.3
289.08594	4.3
290.09198	1.1
291.10147	2.0
293.11630	2.0
294.08960	1.3
295.09607	1.2
306.09027	1.2
307.09625	1.8
308.10431	1.2
309.11246	5.5
321.11194	6.0
322.12109	1.3
326.11386	1.0
339.12201	3.2
341.13843	24.3
343.15323	2.1
353.13852	16.0
355.15366	10.9
359.14935	1.7
371.14996	5.0
388.14517	1.6
500.98215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73749	1.4
61.02949	1.6
69.03426	5.9
69.31004	6.9
78.04723	2.8
79.05502	5.6
81.03427	2.8
85.02907	9.5
91.05486	5.6
95.08634	1.9
97.02947	1.7
98.22660	3.3
98.60018	1.7
103.05499	2.6
105.07047	14.6
107.04960	10.1
115.05506	5.2
117.07025	4.7
118.04136	1.8
119.08609	7.5
123.04424	4.7
124.05232	2.1
127.03941	2.7
128.06184	3.4
129.07019	6.3
131.04953	3.7
131.08533	1.6
132.05756	5.7
133.06512	12.6
137.05992	7.9
145.06464	3.3
147.08041	7.1
151.04007	1.9
152.04703	1.8
159.08012	3.0
160.05193	5.3
161.06007	17.9
163.07491	3.3
167.07047	88.2
169.06508	2.1
173.06007	3.6
175.07558	100.0
177.05418	1.9
187.07523	15.8
189.09178	2.2
191.07094	6.9
191.14761	1.6
193.08601	54.7
199.07487	3.7
201.09137	4.8
205.08646	6.5
218.07361	2.0
233.09785	2.1
235.09619	3.1
249.09084	4.6
263.10492	1.9
265.10614	1.9
277.08643	3.4
278.09412	1.8
281.11652	5.0
289.08710	2.3
293.11722	3.1
294.08707	1.9
309.11185	7.1
321.11203	4.8
341.13846	30.3
353.13901	17.8
355.15482	12.3
359.14755	2.0
371.14743	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	568.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59081	0.3
56.05037	0.4
58.06572	1.6
59.07378	1.8
60.08165	5.7
67.05510	0.4
69.07118	0.4
69.94332	0.3
69.94639	0.5
70.06561	0.4
71.07374	2.3
86.09707	25.7
98.98472	2.2
104.10737	3.3
108.66326	0.3
125.00003	19.2
138.50269	0.3
152.04532	0.3
183.69473	0.4
184.07341	100.0
185.07677	0.9
210.08925	0.7
239.09193	1.2
258.11075	0.3
260.96371	0.4
299.11523	0.6
377.67865	0.3
424.20804	1.4
480.23367	1.0
534.32001	0.6
550.31433	0.7
568.32086	1.4
569.29260	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	568.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
55.05506	0.2
56.05042	0.6
58.06594	2.5
58.06867	0.2
59.07385	2.2
60.08167	6.7
67.05499	0.4
69.07082	0.1
70.14783	0.2
70.15147	0.3
71.07375	2.6
86.09708	29.2
87.10054	0.2
93.07007	0.2
98.98472	2.5
104.10747	7.3
105.07092	0.2
105.11108	0.2
109.10131	0.2
125.00006	18.8
129.05475	0.3
130.97670	0.1
143.01065	0.2
168.04274	0.3
184.07344	100.0
185.07695	0.8
208.74261	0.1
210.08888	1.0
239.09230	1.6
256.09485	0.2
258.11014	0.3
274.34360	0.2
290.55569	0.1
299.11130	0.4
312.11981	0.5
385.20035	0.3
388.07098	0.1
412.20859	0.5
462.21860	0.2
509.18915	0.6
534.31592	0.3
550.31201	0.4
568.32721	2.3
569.29187	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43907	10.3
55.05505	12.7
57.07081	12.0
62.80658	12.4
63.58409	11.1
64.09568	12.6
69.07061	14.5
69.86966	37.0
71.13497	12.0
74.01903	11.4
79.05515	12.7
81.07050	35.7
88.07584	12.0
88.81861	13.2
91.05481	28.1
93.07050	42.8
93.56936	12.0
95.04985	30.2
95.08596	23.7
105.07034	54.7
107.08594	41.7
109.10173	34.3
111.16637	10.7
117.07001	20.3
117.49785	12.2
119.08586	100.0
121.10159	35.4
123.08039	17.8
129.07002	13.4
130.30946	11.2
131.08597	31.9
133.10147	51.5
134.10951	14.3
135.11739	15.7
137.61813	10.7
138.10464	11.5
142.07782	13.2
143.08568	44.6
144.09326	13.4
145.10120	60.3
147.11722	13.4
155.08537	12.4
156.09354	14.4
156.45370	11.1
157.10162	42.9
159.11674	24.8
171.11690	36.7
172.12518	18.1
173.13255	31.1
175.14824	30.6
176.82953	13.1
183.11710	23.0
185.13274	28.8
187.14915	14.8
197.13283	33.1
199.14854	14.8
209.13211	27.3
211.14818	21.7
217.15923	17.9
221.13240	22.3
223.14786	21.3
225.16281	16.5
235.14723	13.9
237.16333	13.0
257.19061	14.6
311.29510	17.1
336.14334	12.1
338.25998	84.4
394.97681	12.1
430.32166	31.2
451.19199	11.0
476.36389	38.5
568.42847	80.3
568.56543	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	1.3
66.39621	0.4
69.74836	1.5
98.23469	0.9
98.97581	1.0
104.88197	0.4
112.99129	1.2
116.98675	0.5
131.00186	1.4
137.19804	0.5
149.01271	1.3
172.08730	0.5
177.00845	0.5
191.02377	0.5
198.44240	0.5
293.05457	0.8
315.16476	0.5
333.17374	3.8
344.54327	0.5
351.18448	1.0
353.27301	0.5
374.20114	0.6
569.27228	100.0
570.27649	4.7
586.14355	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48524	2.4
71.45786	3.7
80.96515	2.2
83.80907	2.2
84.01876	4.6
97.02687	3.0
137.06172	2.7
156.03938	5.1
184.03453	9.5
185.04282	7.1
201.03763	12.0
203.05267	4.7
259.07834	7.5
275.07739	2.7
304.42767	2.7
331.09909	9.4
431.18884	5.1
443.18906	100.0
483.21982	26.6
491.71811	2.7
551.28387	14.4
569.29474	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	569.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16814	0.4
70.62127	0.5
84.01901	0.4
89.71618	0.3
93.07059	0.5
185.04176	0.7
203.05379	0.5
207.64368	0.4
257.05734	0.4
259.07968	1.3
275.20422	0.4
303.23181	0.6
321.16931	0.7
331.10077	1.1
389.15845	2.2
399.27090	0.4
407.16724	1.9
407.24106	1.3
443.19055	0.6
452.64880	0.3
473.07071	0.4
475.99069	0.4
481.24139	0.4
483.21994	5.0
551.19397	0.4
565.72552	0.4
569.29309	100.0
570.29657	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	569.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37795	0.2
70.60342	0.3
78.93060	0.2
79.95459	0.2
83.01107	0.3
84.01900	0.3
87.39494	0.2
93.24889	0.2
95.01083	0.4
96.01884	0.3
119.08560	0.2
119.76539	0.2
136.20853	0.2
144.92024	0.2
156.03957	0.2
157.04713	0.2
184.03404	0.4
184.07274	0.2
185.04224	0.9
201.03734	0.6
203.05275	1.4
259.07913	2.0
275.07364	0.2
275.81107	0.2
331.09933	2.2
333.20422	0.5
345.11563	0.6
373.14709	0.5
387.16193	0.6
407.24069	2.2
427.19455	0.5
441.20969	4.0
443.22449	1.2
471.22211	0.3
499.21497	1.3
569.29285	100.0
570.29578	3.7
595.79517	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	569.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60845	0.6
62.97598	0.6
63.37715	0.6
65.24119	0.5
69.99505	1.4
79.62576	0.6
86.09702	1.4
107.03729	0.6
119.08603	0.6
124.99977	0.9
184.07350	4.5
185.04089	0.6
185.07817	0.7
203.05313	1.2
259.07977	1.0
285.22269	0.7
288.86646	0.7
331.09967	0.8
333.20410	0.8
357.51270	0.7
357.57086	0.6
407.24149	2.1
460.47870	0.6
483.29443	1.2
525.30151	2.4
551.28149	0.7
569.29327	100.0
570.29492	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09777	0.2
64.47559	0.2
69.72327	0.3
69.72649	0.6
72.97400	0.2
85.00093	0.2
86.45824	0.2
149.95448	0.2
170.50610	0.2
185.04213	0.6
203.05257	1.2
216.66241	0.2
232.63391	0.2
259.07904	1.2
321.49698	0.2
331.10040	0.7
333.20572	0.4
377.04529	0.3
407.24008	2.0
431.18826	0.4
441.20346	0.3
445.20346	0.6
497.23892	1.3
511.25296	1.0
569.29327	100.0
570.29694	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	569.2937
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
69.81213	0.5
70.63147	1.1
71.27603	0.5
79.37753	0.6
86.09730	0.8
90.98002	0.4
95.49917	0.5
125.00011	0.7
135.97797	0.5
143.32843	0.6
158.34515	0.6
181.89149	0.5
184.07417	1.5
187.27249	0.5
237.60809	0.5
331.09918	0.9
407.24051	2.3
431.18939	2.4
445.20456	2.7
497.23904	0.7
511.25177	0.8
569.29333	100.0
570.29333	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2934
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.05503	0.8
83.22009	0.7
128.67799	0.6
165.78270	0.7
331.09848	0.9
407.24094	4.0
447.22809	0.8
527.55438	0.7
569.29346	100.0
570.29504	5.0
594.23059	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39161	0.3
67.05500	0.4
69.32629	1.3
76.24169	0.2
81.07044	0.6
84.27146	0.2
86.78902	0.3
91.05485	0.2
95.08635	0.2
105.07077	0.3
119.08565	0.2
122.71476	0.2
135.11615	0.3
136.85104	0.3
145.10214	0.3
150.58205	0.2
268.06537	0.3
284.29733	0.3
311.29352	0.4
398.92230	0.3
420.44724	0.3
444.52368	0.3
471.34949	0.3
568.55951	0.5
569.40222	100.0
570.40515	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	569.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77045	0.3
62.07899	0.2
66.75035	0.3
69.32156	1.0
69.32561	0.7
76.80769	0.3
87.72222	0.3
89.06026	0.9
90.13274	0.3
133.08612	0.5
135.97241	0.3
151.80695	0.3
188.68764	0.3
259.89783	0.3
311.29440	0.4
374.56644	0.3
569.40228	100.0
570.40631	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	570.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70763	1.7
55.01883	1.4
55.05529	1.5
65.03946	2.6
67.05486	2.2
69.03422	1.4
71.46236	1.5
75.04478	3.9
78.04710	3.5
79.05502	2.6
79.19834	1.3
83.08604	1.6
85.02898	3.5
91.05489	9.9
93.03408	11.0
93.07050	6.1
95.04960	7.0
95.08609	2.5
97.06561	2.3
100.11264	2.3
103.05466	7.6
105.03405	1.3
105.04528	2.2
105.07043	6.0
106.04173	26.8
107.08649	1.5
112.46378	1.2
117.03308	1.5
118.04192	2.1
118.29429	1.4
119.04953	1.4
121.06509	27.7
125.05977	6.7
129.12872	1.2
131.04932	7.8
133.06500	3.1
134.03651	3.2
137.05939	2.6
139.37123	1.4
145.02818	2.0
147.04466	1.7
148.05202	2.2
149.05978	41.5
151.07611	2.7
153.05531	1.9
153.09105	11.8
161.05914	6.4
163.02135	2.2
163.03989	1.5
163.07509	2.4
166.06279	1.8
167.07097	1.3
176.04698	2.1
177.05467	25.5
181.08594	17.8
191.01637	1.9
191.07051	25.0
192.02432	1.4
192.07735	1.9
193.08600	8.1
193.60905	1.3
209.08099	100.0
223.04222	3.5
227.01852	1.3
251.03740	8.6
251.09065	8.8
260.91141	1.3
264.78076	1.4
275.48999	1.4
283.06323	11.4
309.82651	1.3
379.69897	1.3
542.56189	1.6
569.44617	1.9
570.30688	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	570.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09329	1.5
55.01857	2.0
56.78778	1.5
70.06582	2.6
70.80640	2.7
77.03929	1.5
79.05509	2.4
85.02899	3.5
91.05479	19.0
91.93117	1.7
93.07056	2.3
95.04971	5.1
102.04663	2.8
103.05473	7.7
105.03392	3.0
105.07022	9.3
109.06505	2.0
114.68531	1.6
115.05484	2.8
119.04941	20.4
121.06513	4.4
122.03692	3.7
123.04405	2.1
130.04134	6.4
131.04945	8.0
132.28024	1.6
133.02863	2.4
133.06473	9.9
135.04422	2.9
137.05977	100.0
143.04994	1.6
145.02869	4.2
145.06502	4.9
147.04411	24.9
149.05952	9.9
150.06781	8.4
151.03859	1.9
151.07518	4.4
158.03641	2.7
160.05077	1.8
161.05980	30.9
162.06758	43.0
163.07468	3.3
173.05943	9.2
175.03842	1.6
175.07646	1.5
177.05457	8.3
179.07010	11.7
186.03186	1.6
191.07069	2.1
193.04967	6.3
195.06540	4.5
201.05460	28.6
204.04205	5.0
205.06509	2.8
207.06523	5.7
212.98189	1.4
219.06494	33.5
219.08398	2.8
222.06961	1.4
231.06529	6.1
233.05997	3.4
237.51895	1.5
249.07655	5.0
250.06267	2.5
261.36325	1.3
265.08533	5.2
277.08447	2.6
292.07269	2.9
293.08112	5.2
305.08206	2.1
307.09653	5.7
309.11331	3.4
323.09100	15.9
325.10666	20.7
337.10754	12.5
343.08075	2.3
343.11829	26.5
355.11774	24.8
373.12860	2.0
417.43167	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.3
60.38385	0.3
63.53355	0.2
69.03433	0.7
78.33923	0.3
81.03443	0.3
85.02912	1.1
85.86761	0.3
88.82365	0.3
91.05489	1.3
93.49141	0.3
96.37415	0.3
97.02856	0.6
100.11289	0.3
105.07017	0.7
107.04960	1.2
113.49029	0.3
115.03937	0.3
115.05452	0.8
116.06239	0.4
117.06988	0.7
119.08630	0.3
120.08085	1.0
121.06487	0.5
127.03976	0.3
128.06224	1.3
129.07011	4.5
131.04900	0.4
131.08569	5.9
131.09473	0.5
132.05687	0.4
132.08838	0.3
133.04974	0.5
133.06493	1.2
133.10173	0.7
137.05980	0.9
137.45186	0.3
139.33792	0.3
141.07004	2.3
142.07762	0.4
143.08574	1.3
144.05701	1.9
145.06482	1.8
146.07271	0.7
147.04417	0.9
147.08095	0.5
148.95699	0.3
153.06970	0.8
156.05658	0.4
157.06509	2.7
158.07248	0.5
159.06747	0.5
159.08058	10.5
159.09337	0.6
160.05153	0.3
161.05963	0.9
161.09653	3.1
163.07593	0.3
167.07014	0.6
169.06396	0.5
169.07637	1.3
170.07297	2.0
171.08069	2.9
172.05179	0.9
173.06000	1.4
173.09622	0.7
174.06755	0.9
175.07556	1.1
177.05531	0.4
185.05919	0.4
187.07552	8.8
188.08189	0.7
189.09134	4.4
190.06261	0.8
191.07083	0.4
192.07901	0.4
193.08499	0.5
198.06807	0.6
199.07568	1.5
201.05481	0.3
201.09096	0.7
203.07016	1.2
204.07834	4.2
205.08598	0.8
206.09351	0.5
207.10170	0.4
216.07838	1.6
217.08662	0.6
218.09410	0.4
219.10182	2.8
221.11647	1.7
223.05943	0.3
231.10191	2.7
233.11792	2.2
234.08922	0.6
237.11264	0.7
249.11224	100.0
250.11554	2.9
251.12796	3.2
267.12268	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	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.5
69.03413	1.0
70.06573	0.5
79.05480	0.5
81.03392	0.4
81.07060	0.6
85.02892	1.4
89.03890	0.7
91.05492	1.9
94.99474	0.3
95.08568	0.5
97.02897	0.9
103.05463	0.6
105.07037	1.0
107.04929	0.9
115.05450	1.4
116.06225	0.8
117.03365	0.4
117.07073	0.8
121.06494	0.6
127.03876	0.5
128.06210	1.8
129.06982	4.5
131.04871	0.5
131.08560	5.6
133.04971	0.7
133.06494	1.1
133.10147	0.5
135.04414	0.6
137.06032	1.1
141.07002	2.6
142.07693	0.4
143.08582	1.0
144.05699	2.3
145.02803	0.6
145.06488	2.0
146.07266	0.8
147.04395	1.2
153.06979	0.7
155.06020	0.6
157.06502	2.9
158.07225	0.6
159.08038	11.2
161.05962	0.9
161.09631	3.2
163.03915	4.3
167.07051	1.3
167.88077	0.4
169.06355	0.5
169.07591	1.3
170.07195	2.2
171.08049	2.4
172.05215	0.9
173.05968	1.2
174.06737	1.2
175.07545	0.9
181.08643	0.7
187.07541	9.1
188.08195	0.4
189.09096	4.0
190.08592	3.2
191.07063	0.5
193.08530	0.6
198.06720	0.9
199.07483	1.5
201.05443	0.8
201.09062	0.9
203.07011	1.1
204.07828	4.4
205.08528	0.7
206.09500	0.4
216.07800	1.2
219.10121	4.5
221.11713	1.9
223.97766	0.5
231.10239	2.1
233.11717	2.6
235.16524	0.4
237.11276	0.6
240.19624	0.6
249.11212	100.0
250.11551	2.6
251.12791	2.7
267.12393	2.1
408.22256	2.9
538.32220	0.4
570.25940	3.1
571.24072	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01857	1.9
55.05517	7.7
57.03421	1.4
57.07069	2.8
67.05505	34.3
69.03414	4.4
69.07055	10.9
70.85286	1.8
71.04986	6.3
79.05489	11.0
81.03405	12.9
81.07055	43.7
83.08621	11.0
85.02911	12.3
85.06543	3.9
87.00818	6.2
89.06001	1.8
91.05484	9.3
93.07042	18.8
95.08021	2.9
95.08605	48.5
97.02869	4.7
97.06548	3.4
97.10170	7.4
105.01874	4.6
105.07024	6.1
107.04936	1.4
107.08582	13.6
109.02881	4.4
109.10154	30.4
111.08045	2.4
111.11709	2.2
117.06998	2.0
119.08606	8.8
121.10155	20.5
123.08096	2.1
123.11710	10.9
125.02348	8.5
127.03922	8.0
128.28322	1.7
131.08553	6.0
133.10136	11.7
135.08037	4.8
135.11688	14.5
137.09605	5.0
137.13234	2.5
145.04938	1.7
145.10088	4.3
147.11717	4.2
149.09618	2.1
149.13261	7.8
151.11176	4.8
159.11667	4.7
161.13145	2.0
163.03873	2.8
163.11165	1.9
167.10666	1.5
173.13313	3.5
177.12758	2.0
191.17918	14.3
195.13760	1.6
205.19519	1.6
209.19002	10.6
215.17963	15.5
225.22156	4.2
227.20128	1.9
233.18970	8.1
251.20036	19.2
269.21097	39.5
270.21460	2.1
287.22156	100.0
288.22495	2.8
305.23203	19.0
372.16663	1.6
471.70493	1.4
473.88742	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.1
67.05505	48.9
69.03419	4.5
69.07074	7.8
70.62894	4.1
71.04990	31.4
72.87920	4.5
76.43878	4.2
79.05508	9.8
81.03408	5.8
81.07058	77.7
83.08641	11.9
85.02917	16.5
85.06566	5.0
91.05482	10.9
93.07040	14.0
95.08609	91.8
97.02865	4.7
99.04455	5.5
105.01888	5.4
105.07027	9.1
107.08601	15.7
109.02902	6.0
109.10150	43.6
119.08569	4.8
120.32399	4.4
121.10165	16.7
123.11720	18.2
127.03943	7.7
131.08505	4.2
133.10138	14.9
135.11682	11.8
137.09656	6.6
137.13338	5.2
151.11220	6.0
159.11687	5.8
171.03119	4.9
173.13170	4.9
177.12817	4.2
212.57248	4.7
215.17995	15.7
217.84804	4.6
233.19034	16.0
245.55797	4.0
251.20105	69.5
269.21100	55.6
272.58118	4.1
287.22162	100.0
287.25214	6.7
305.23282	31.3
345.94058	4.9
570.23547	24.8
590.56598	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	570.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.3
55.05519	2.9
57.03453	1.4
61.02916	1.4
67.05517	5.2
69.03430	6.7
69.07068	3.6
69.12789	6.2
71.04992	1.4
77.99321	1.3
79.05504	3.4
81.03421	3.4
81.07059	11.6
83.08643	2.4
85.02911	24.1
87.00832	14.5
91.05482	3.6
93.07057	8.0
94.89911	1.2
95.08611	15.2
97.02924	4.9
97.10191	1.8
98.23501	2.3
99.04459	1.8
100.55772	1.2
105.01872	44.7
105.07051	8.6
107.08594	8.2
109.02889	4.2
109.10158	16.9
110.47500	1.2
117.07018	1.4
119.08587	8.2
121.10168	6.6
123.11729	3.2
125.09632	4.2
127.03916	20.2
127.11234	3.8
131.08600	5.7
133.10153	8.8
135.11713	5.9
139.11206	1.3
143.08560	2.5
145.04958	7.0
145.10144	8.3
147.11711	5.4
149.13261	4.3
157.10143	5.5
159.11732	6.5
161.13284	9.4
163.14848	3.6
171.11710	3.4
173.13319	6.7
173.14629	1.1
175.14824	8.6
177.12831	1.6
185.13268	5.0
187.14825	6.8
189.16423	4.6
199.14816	7.1
201.16429	4.8
203.17935	3.0
213.16362	6.4
215.17960	2.8
227.17976	2.0
231.04977	12.3
240.18924	1.1
241.19540	3.0
245.19147	2.4
246.29781	1.2
249.06058	17.8
259.24173	1.4
269.22650	45.0
270.22995	2.2
287.23688	100.0
288.24124	3.5
316.23938	1.5
345.33774	1.3
570.28363	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	570.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.05025	0.7
58.06614	0.4
60.08168	5.9
62.71882	0.2
67.05491	0.4
69.80591	0.5
69.80956	0.4
71.07376	3.1
76.35899	0.3
86.09710	28.2
87.10046	0.4
89.84715	0.2
91.05444	0.2
93.07039	0.4
98.23337	0.3
98.98483	1.9
104.10748	3.7
109.10133	0.2
109.68404	0.2
124.08376	0.3
124.81387	0.2
125.00009	19.0
126.00355	0.2
127.20912	0.3
140.00055	0.2
184.07349	100.0
185.07736	0.8
258.10913	0.3
368.36179	0.2
374.44922	0.3
412.20959	2.9
452.24017	0.9
516.30798	0.4
534.31818	1.1
552.32709	1.9
570.34161	3.6
570.42761	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20696	0.3
55.05518	0.3
57.07081	6.9
58.06596	2.1
59.13421	0.3
61.24622	0.3
68.05022	0.4
69.07059	0.5
69.47374	0.3
69.47692	1.3
70.06593	15.8
70.06983	0.8
71.08626	2.3
72.08160	0.4
74.06068	0.6
77.03925	0.5
85.10173	1.0
88.07632	20.6
95.04942	1.1
98.23488	0.4
102.09180	16.5
105.03394	15.8
111.40564	0.3
128.55739	0.3
131.04898	0.9
143.99701	0.3
149.02361	11.2
149.05978	60.0
150.06348	0.5
175.03879	0.9
181.06470	2.0
187.35297	0.3
193.04956	11.4
212.23726	0.8
219.06548	0.8
256.26349	47.1
257.26740	1.1
297.07574	13.1
341.10199	52.4
342.10587	1.3
371.22437	0.4
440.33636	0.3
490.71802	0.3
552.33014	0.6
570.34253	100.0
571.34674	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	570.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53224	0.2
56.05034	0.4
58.06608	0.4
60.08166	6.5
65.36437	0.2
67.05502	0.8
69.26739	1.3
70.06593	0.4
71.07380	3.1
73.26013	0.2
75.72447	0.2
79.05489	0.4
81.07068	0.7
86.09708	30.2
87.10059	0.2
88.07667	0.2
89.06034	0.3
91.05492	0.6
93.07050	0.7
95.08622	0.3
98.98469	3.1
104.10745	3.2
105.07051	0.4
107.08650	0.2
109.10173	0.3
113.79140	0.2
119.08598	0.3
121.10174	0.3
125.00006	20.6
131.08504	0.3
133.10078	0.2
143.01028	0.3
149.05952	0.4
184.07341	100.0
185.07733	0.4
234.20615	0.2
256.26318	0.5
284.03906	0.2
313.39270	0.2
341.10043	0.3
467.31372	0.6
472.35065	0.5
512.93579	0.3
552.34448	1.1
552.41461	0.2
565.91064	0.4
570.35223	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	570.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	4.2
55.01874	6.0
55.05521	20.9
57.03438	16.9
59.05003	5.6
65.03940	4.3
67.05511	100.0
69.03407	3.8
69.07069	6.8
71.04996	5.7
79.05506	30.1
81.03416	9.2
81.07061	44.9
83.04999	6.8
83.08627	10.5
85.06559	8.9
86.09699	4.2
90.24786	2.9
91.05492	25.5
93.07035	21.3
95.04974	11.5
95.08613	15.2
97.02858	4.8
97.06523	15.6
97.10149	8.5
104.10752	13.8
105.04514	3.8
105.07034	15.6
107.04232	2.7
107.04949	17.9
107.08607	13.8
107.69461	3.7
109.02831	3.4
109.06509	13.3
109.10153	73.9
111.08067	3.3
113.06004	7.2
117.07017	9.5
119.08582	17.2
121.02864	12.3
121.06525	13.9
121.10136	9.3
123.08099	9.5
125.06023	6.3
125.09650	7.5
131.08592	9.1
133.10161	8.6
135.08063	11.5
137.09595	7.6
147.07986	5.9
149.09578	10.0
151.07581	3.9
155.10672	6.6
157.10158	6.2
159.08090	15.6
163.07555	7.1
163.11310	3.3
173.09589	5.0
173.11774	20.1
177.09134	4.3
184.07304	6.1
189.11217	5.5
198.96745	4.6
205.36935	3.6
219.13809	6.6
227.12766	6.3
229.12320	3.3
229.14336	76.2
233.15410	29.3
241.14243	4.7
247.13229	5.2
251.16570	5.7
271.16943	15.5
289.18002	47.3
307.19220	9.2
363.21771	9.6
379.43930	3.4
381.22592	11.8
408.53345	4.4
517.31598	12.2
535.32428	13.6
570.24432	5.5
570.33057	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	570.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.8
55.05754	0.7
57.07079	55.6
58.07392	0.8
59.04984	0.8
67.05502	1.2
69.07067	6.2
69.57567	1.9
71.08636	48.1
73.06564	4.7
79.05504	0.8
81.07052	1.0
83.08630	3.5
85.10191	34.0
87.04469	6.7
89.06038	100.0
90.06384	0.9
90.89883	0.8
93.07044	1.0
97.10184	3.4
99.11737	7.4
107.07058	1.7
111.11727	3.5
113.13290	6.2
117.09146	4.8
125.13255	2.0
127.14851	2.9
130.08675	2.2
131.07065	3.2
133.08615	72.8
135.10184	1.4
150.75703	0.9
161.11780	2.7
175.09711	1.3
177.11237	35.1
183.21109	2.8
195.12305	1.0
221.13870	8.1
223.15498	1.0
227.23705	1.6
239.15007	2.3
242.35686	0.7
265.16489	2.3
271.26276	7.4
283.17642	3.8
309.19312	1.3
315.28973	6.0
327.20215	4.2
371.22794	19.6
412.32983	0.8
421.35620	0.9
471.30945	0.9
509.40576	2.2
553.43158	23.9
554.43341	1.0
570.45807	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	571.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.9
56.05025	0.8
58.10955	0.4
58.28667	0.4
67.05508	1.0
70.24902	0.7
70.25244	0.9
71.07378	1.5
71.08637	0.7
79.05498	1.1
81.07072	0.9
86.09705	8.3
91.05454	0.6
95.08583	0.8
97.10162	0.6
98.23363	0.4
99.08120	0.5
104.10738	2.3
105.48462	0.4
119.08567	0.4
146.98189	4.9
184.07448	0.6
185.04210	0.7
203.05318	0.6
233.20071	0.4
259.07874	1.0
264.14218	0.4
293.21063	0.6
388.19785	0.9
389.23038	10.2
409.25800	2.1
431.19159	0.6
471.22070	0.4
512.18982	2.2
513.22278	9.9
543.31067	0.5
571.30914	100.0
572.30493	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	571.3246
Annotation	Avermectin B1b aglycone
Peak:m/z	Relative Intensity
54.65135	0.5
55.05513	0.6
57.07075	7.4
58.07412	0.9
66.92216	0.5
67.05509	0.6
69.07066	1.5
69.11669	2.6
71.08633	6.0
72.08966	0.6
73.06549	0.6
81.20667	0.4
85.10175	4.2
86.10563	0.4
89.06028	11.4
89.06537	0.8
90.01994	0.4
90.06371	1.0
98.22687	0.9
99.11710	0.9
113.13272	0.5
127.14854	0.5
127.25681	0.4
133.08592	6.8
134.08923	0.9
142.77141	0.5
177.11180	2.2
178.11594	0.5
214.94913	0.9
221.14006	0.6
222.14268	0.5
271.26440	0.5
315.29041	0.5
371.22729	1.2
372.23203	0.7
405.56894	0.4
553.43201	1.1
554.43616	2.1
565.91028	1.0
571.32385	100.0
572.32727	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72208	0.5
55.01867	1.4
55.05518	5.5
56.05030	4.2
57.03451	0.7
61.02919	1.1
65.03951	0.6
66.23167	0.5
67.05505	6.9
69.03433	1.1
69.07072	5.6
69.13514	3.5
70.06596	3.4
71.04964	0.6
71.07372	1.6
71.08624	2.0
72.08158	6.1
73.02923	0.8
79.05489	6.2
81.03452	0.6
81.05785	0.8
81.07054	12.4
82.06557	0.9
83.04951	1.2
83.08644	1.3
84.04507	44.1
85.02899	2.9
85.06538	1.0
86.06068	100.0
87.06377	0.7
91.03955	0.7
91.05485	9.8
93.07053	4.6
94.06006	0.6
95.04990	3.4
95.08614	2.5
96.08131	7.3
97.02861	0.7
97.06532	6.0
98.06080	0.7
98.09700	15.9
99.04461	2.1
99.08105	1.5
100.07629	1.7
102.05544	28.4
105.07037	5.7
107.04943	0.6
107.08591	2.8
108.08123	1.8
109.06521	2.4
109.10152	1.2
110.09677	0.6
111.08099	1.1
113.06011	1.4
114.09185	1.9
115.05508	1.0
116.10732	90.4
117.11091	1.8
119.08595	7.3
121.10132	1.3
122.09659	1.1
123.08051	0.7
124.07598	2.3
125.06031	0.5
125.09732	0.5
129.05482	0.6
129.06998	5.3
130.05008	19.2
131.08588	2.7
133.06461	0.6
133.10156	4.4
135.08011	0.6
137.05931	0.9
138.09207	0.6
140.10730	0.7
142.07770	0.7
142.08667	8.3
142.12268	4.7
143.08511	0.5
143.10672	7.9
145.10228	0.5
147.08054	1.3
147.11691	14.7
148.06038	11.3
149.09636	1.8
149.13281	0.7
152.10724	0.6
157.10123	7.3
159.11627	0.6
164.07127	0.7
165.12718	2.5
166.15982	0.7
174.83714	0.5
175.11186	11.9
177.07828	0.8
192.13805	0.6
193.12289	8.6
196.17104	0.6
211.13396	1.3
212.16457	10.6
214.18013	10.7
220.49031	0.5
230.17496	6.5
230.19397	0.7
232.13377	0.8
236.16516	0.7
237.14890	0.8
238.17935	0.6
259.65860	0.7
290.21097	1.0
294.17169	1.8
305.24832	0.8
307.23895	1.0
308.22171	6.1
310.23755	0.7
320.18732	0.6
326.23404	1.9
333.70456	0.8
340.17603	3.0
358.18521	1.8
370.22263	1.9
373.82315	0.6
394.22021	1.0
404.75412	1.6
406.29663	0.6
412.23492	0.7
437.26492	11.3
438.27484	0.7
439.28244	1.5
455.27533	49.0
456.27933	2.1
457.29068	13.6
458.29160	0.6
473.28592	38.7
474.28925	1.9
487.38083	0.6
490.29642	0.9
500.27866	0.5
535.33508	1.0
536.09052	0.5
553.34875	17.1
554.35339	0.9
571.35992	31.2
572.36078	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.4
55.05508	6.1
56.05039	5.5
57.03439	1.0
57.07071	1.0
57.48291	0.8
61.02930	1.2
67.05510	6.7
69.03448	1.2
69.07066	4.9
69.24693	5.2
70.06602	4.2
71.04986	0.9
71.07368	1.1
71.08628	5.1
72.08153	6.1
78.94024	0.8
79.05493	5.2
79.32704	0.7
80.04985	1.1
81.03408	1.2
81.05811	1.0
81.07059	11.4
83.04974	1.3
83.08630	2.0
84.04501	44.7
84.08150	2.1
85.02904	3.0
85.06536	1.1
86.06065	100.0
87.06414	1.6
91.03944	1.0
91.05476	11.5
93.07046	3.5
95.04966	4.0
95.08606	4.1
96.08126	18.5
97.06528	10.6
98.06081	1.5
98.09689	19.1
98.23447	1.3
99.04453	2.6
99.08100	2.6
100.07627	1.9
102.05539	28.7
105.07006	7.7
106.02132	0.8
107.04995	1.0
107.08598	2.5
108.08128	2.6
109.06529	3.3
109.10201	1.1
112.07636	1.2
113.06023	2.2
114.09158	1.4
115.05446	1.2
116.10727	89.1
117.11068	1.1
119.08585	10.0
121.06522	1.0
121.10172	2.0
122.09651	1.8
123.08111	0.8
123.22794	0.7
124.07572	3.7
127.03902	0.9
129.06989	5.1
130.04996	18.7
131.08554	2.2
133.10156	3.8
137.05948	1.5
140.10670	1.3
141.09131	1.1
142.08632	33.1
142.12276	4.3
143.10669	7.1
145.10075	0.9
147.11684	15.5
148.06041	11.2
149.09677	2.2
154.15933	1.4
157.10112	9.2
158.26401	0.8
165.12796	2.8
166.15955	1.5
175.11182	11.3
175.12428	1.0
178.15985	1.0
184.17059	1.6
193.12236	9.5
196.16875	4.3
200.90643	0.8
211.13385	1.5
212.16440	33.2
212.18431	1.7
214.18008	67.7
215.18491	1.3
230.17494	13.3
230.19618	0.9
238.18193	0.7
240.01991	0.9
263.86453	0.7
283.84384	0.8
294.17093	3.2
294.19965	0.8
305.57736	0.8
307.23468	0.9
308.22122	6.3
312.18192	0.8
316.63934	0.8
322.16708	1.0
326.22897	1.8
340.17624	3.8
358.18649	2.7
370.22177	1.1
403.24295	1.0
437.26425	9.0
455.27512	43.0
456.27863	1.9
473.28574	37.2
474.28955	1.9
481.78882	1.5
553.34918	14.5
571.21350	1.8
571.35974	36.7
572.36322	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	572.18
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
65.03940	2.4
67.05460	1.3
68.01252	0.8
68.99773	2.0
69.70971	2.7
75.04460	1.5
78.04700	1.9
79.05476	2.5
84.08136	1.2
85.02888	1.8
85.46293	0.7
89.03934	1.7
91.05482	10.2
93.03413	9.4
93.07043	3.2
95.04977	3.7
97.06539	1.7
103.05480	5.2
105.04528	1.0
105.07042	0.7
106.04175	16.9
107.04964	2.8
107.50808	0.7
109.06501	0.9
110.16814	0.7
117.03371	3.0
119.04913	1.6
121.06512	19.8
123.08094	0.9
124.05222	0.9
125.05999	6.1
127.30896	0.7
131.04915	2.9
132.05702	3.0
133.02849	1.0
133.06482	0.9
134.03633	3.0
135.04413	4.0
137.05984	4.0
139.07541	2.7
145.02824	1.2
147.04417	3.9
148.05168	1.7
149.05983	32.9
149.07195	1.6
151.07585	1.4
153.05475	1.6
153.09113	8.9
160.05241	1.0
163.03883	3.7
163.07515	2.1
165.05426	1.9
166.06262	1.1
167.07050	7.5
177.05464	19.6
179.07005	1.0
180.04202	1.5
180.07780	2.2
181.08607	13.6
182.09401	1.0
191.07031	7.7
192.07794	5.8
195.06558	2.7
209.08092	100.0
210.08519	3.3
223.06038	15.7
301.07489	1.3
401.12054	1.3
572.27356	2.5
573.18872	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	572.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05826	7.1
55.05520	10.8
55.57096	7.1
65.80765	9.9
67.05501	17.3
69.03423	14.1
69.07065	11.3
70.88694	16.8
79.05508	11.0
79.63723	6.5
81.03437	13.4
81.07067	50.3
84.04514	12.5
85.02914	27.8
86.46353	7.0
87.00845	19.9
91.05475	16.9
93.07058	23.1
95.08607	47.3
97.02908	10.5
105.01870	16.2
105.07031	36.8
107.07389	6.1
107.08614	26.8
108.58837	7.6
109.10172	33.3
117.06996	7.0
119.08595	29.1
121.10215	16.6
123.11697	14.3
127.03911	19.3
127.54581	7.7
133.10167	19.4
135.11700	14.0
137.05945	10.3
147.11746	10.2
148.06100	7.2
149.13289	15.7
151.26440	7.9
161.13312	19.4
163.14871	12.8
175.14856	32.5
189.16394	58.4
271.24280	100.0
273.18530	10.1
287.23505	11.6
289.25278	7.2
304.09485	7.1
309.30417	7.0
572.31396	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	572.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01879	2.2
55.05500	4.5
57.07547	1.4
61.02943	1.8
67.05495	9.7
69.03422	10.1
69.07059	7.0
70.97294	1.4
73.02917	2.8
79.05489	5.7
81.03410	6.8
81.07059	24.1
83.08601	3.0
83.22136	1.3
85.02902	26.5
87.00832	10.2
91.05474	6.8
93.07050	10.7
95.08599	28.5
97.02893	8.9
97.10162	3.0
99.04425	3.9
105.01861	14.1
105.07021	17.9
106.96438	1.4
107.08595	14.4
109.02885	9.0
109.10162	16.2
111.11682	2.4
119.08578	20.1
121.10143	9.2
123.11654	3.0
127.03900	18.5
131.08577	3.7
133.10132	18.6
135.11678	7.3
137.13280	1.6
145.04944	8.8
145.10106	6.7
147.11650	9.5
149.13232	6.6
154.07370	1.7
159.02875	5.4
159.11655	7.3
161.13251	18.6
163.14828	4.6
173.13275	4.1
175.14841	15.2
177.16368	1.8
187.14806	4.1
189.16388	65.9
190.16711	2.0
201.16371	5.3
215.17938	7.1
231.04999	6.6
249.05991	3.8
269.22424	2.5
271.24197	100.0
272.24472	3.7
289.25226	4.5
538.49817	1.5
544.95355	1.9
554.33124	3.1
572.31348	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	572.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
55.01852	1.1
55.05505	5.9
57.07067	2.8
61.02938	1.0
67.05506	14.2
69.03422	5.6
69.07066	21.7
69.07438	1.1
69.80190	3.5
72.99213	0.9
76.98886	1.0
79.05501	5.4
81.03413	2.8
81.07059	33.8
83.04971	1.6
83.08618	5.6
85.02911	12.1
87.00830	5.9
91.05472	5.5
93.07046	7.3
95.04970	2.3
95.08609	33.6
95.09222	2.0
97.02900	5.5
97.10165	3.0
99.04501	1.9
100.11263	2.4
105.01876	13.8
105.07035	11.7
107.08594	16.0
109.02898	4.4
109.06522	3.9
109.10157	33.4
111.11710	3.3
119.08586	12.9
121.06553	1.7
121.10150	12.7
123.08078	3.0
123.11723	10.4
125.13285	1.3
127.03926	9.6
131.08569	2.0
133.10118	8.0
135.08112	2.1
135.11668	9.4
137.09628	19.3
137.13242	27.4
145.04974	3.9
145.10127	3.2
147.11697	12.7
149.05951	1.4
149.13275	4.4
151.11154	5.8
151.14780	2.4
154.06448	1.0
159.02837	1.2
159.11694	5.7
161.13239	10.0
163.03966	1.8
163.14868	5.5
165.12761	3.9
173.13272	3.0
175.14861	3.1
177.12807	2.8
177.16412	3.5
179.14297	7.2
187.14864	2.4
189.16365	6.1
191.17944	6.0
201.16330	4.7
205.15912	2.5
205.19501	3.9
207.17450	11.5
208.49680	1.1
215.17960	6.8
219.17442	1.4
229.19521	1.5
231.04877	5.2
231.21121	1.2
233.18985	7.4
233.62422	1.1
249.06110	5.4
261.25900	1.1
271.24173	20.7
289.25253	100.0
290.25549	2.5
339.72977	1.0
373.91367	1.0
501.28000	1.3
572.26398	1.8
573.28528	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.1
53.03942	4.7
55.01875	4.3
55.05509	12.6
57.03439	3.0
57.07070	6.3
61.02927	1.7
65.03931	1.3
67.05161	1.8
67.05502	21.6
68.37731	1.2
68.99802	2.1
69.03432	11.5
69.06704	1.9
69.07063	19.5
70.28329	1.4
70.28650	1.8
71.04999	1.5
71.08636	3.3
73.02901	3.6
77.03893	1.2
79.05486	18.2
81.03419	9.6
81.07054	44.3
83.08615	14.3
85.02903	35.7
85.10203	2.5
87.00829	14.0
91.05476	25.7
93.07047	38.0
95.04952	3.9
95.08602	53.1
97.02324	1.8
97.02897	17.3
97.10170	5.2
98.23373	1.7
99.04462	6.4
103.05478	2.0
105.01866	28.8
105.02530	2.5
105.06473	0.7
105.07025	42.2
107.08591	47.5
108.04504	1.2
109.02874	12.5
109.06501	1.7
109.10156	37.0
111.11717	6.1
113.71017	1.2
115.05453	1.5
117.01855	1.5
117.07010	5.8
119.08579	100.0
121.10143	23.2
123.11715	11.9
127.03910	32.2
127.04853	1.6
129.01814	2.1
129.07002	1.4
130.16161	1.1
131.08566	16.0
133.10124	50.4
135.11682	26.3
135.12656	2.2
137.05995	1.8
137.13243	4.8
139.14830	2.7
144.09320	2.5
145.04941	24.2
145.10123	36.8
147.11673	25.9
149.13249	11.8
159.02879	8.2
159.11685	62.4
161.13261	25.4
163.14824	14.9
173.13216	11.7
175.14806	11.9
177.16400	4.8
187.14806	18.6
189.16371	7.8
201.16397	11.2
203.17908	3.9
207.17380	1.5
215.17938	21.2
229.19446	2.7
231.04982	14.9
243.20937	1.2
248.07571	2.6
249.06093	9.0
266.08755	1.7
271.24197	55.0
272.24460	1.9
284.09711	9.0
289.25131	2.5
572.30573	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	572.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31832	0.4
53.03953	0.5
55.05514	4.6
57.03445	1.9
57.07086	2.1
59.04996	3.9
59.28872	0.4
59.61679	0.4
65.03945	1.6
65.43257	0.4
67.05505	67.4
68.06707	0.4
68.21597	0.4
69.03430	0.4
69.07069	1.8
71.04987	2.5
71.08637	1.1
71.73257	0.4
74.37510	0.4
75.39507	0.4
79.05502	1.1
81.07053	9.5
83.08620	5.0
84.89825	0.5
85.06544	2.0
91.05480	4.4
93.07045	2.3
95.04951	0.8
95.08596	5.2
97.77464	0.4
98.98470	1.3
107.08607	1.7
109.10156	64.8
110.10490	0.8
111.08058	2.7
113.06055	0.6
119.08590	4.2
121.10237	0.5
127.11268	0.5
134.11751	0.5
137.09612	2.3
145.94019	0.5
155.01025	1.1
155.10678	3.3
173.11739	13.9
173.13231	0.8
220.15593	0.5
229.14406	0.7
242.18393	0.5
276.31992	0.4
313.27332	4.0
383.24265	100.0
384.24579	3.8
566.91583	0.6
572.37323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80630	2.6
51.06283	2.4
55.05502	4.6
55.41735	3.0
57.03450	2.5
57.07074	11.8
59.05014	5.6
67.05506	100.0
69.07087	4.8
70.53513	4.5
71.08633	9.6
79.05478	2.6
81.07047	23.5
83.08633	7.3
85.10179	8.2
86.43144	2.5
91.05470	5.9
93.07066	4.6
95.08613	18.3
102.99861	2.5
109.10158	71.7
111.08104	3.4
119.08551	3.6
137.09637	3.1
155.10707	4.4
155.14326	3.5
165.07381	2.7
173.11736	18.5
188.39377	2.7
259.36691	2.5
383.24097	65.9
383.28021	68.2
572.35608	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	572.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	2.7
56.64275	0.9
57.07075	28.7
62.45575	0.9
65.81561	0.8
67.05501	3.3
69.07062	1.7
71.08630	24.7
71.11700	1.0
71.18902	0.7
73.06563	8.1
79.05511	0.9
83.08611	4.2
85.10184	29.1
87.04459	6.9
89.06031	100.0
91.07594	1.1
95.08643	1.0
97.10189	1.1
98.90541	0.8
99.11733	2.9
107.07030	1.3
109.10165	2.3
117.09118	6.6
130.08650	1.9
131.07069	2.3
133.08606	51.8
135.10222	1.1
141.16391	3.5
156.47769	0.8
161.11731	1.9
166.19200	0.9
170.78311	0.8
175.09682	1.5
175.92087	0.8
177.11218	24.2
185.18983	6.8
221.13855	5.3
226.21674	1.3
229.21626	12.5
265.16449	1.3
273.24216	8.2
283.17383	2.2
295.86365	0.8
327.20322	2.1
371.22778	1.2
383.24249	3.6
415.25357	4.7
467.35370	1.2
555.40973	11.5
572.35974	2.0
572.43573	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1946
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
68.93004	0.4
70.01609	1.1
70.51082	0.4
72.08197	0.4
75.31210	0.4
83.29172	0.5
98.23421	0.5
143.39090	0.5
185.04196	2.4
239.62407	0.5
367.85919	0.5
395.10944	1.1
410.13223	2.3
411.14081	2.3
573.19391	100.0
574.19794	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	573.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
63.32952	0.5
64.91322	0.5
66.40198	0.6
71.45622	0.6
77.68936	0.6
79.85028	0.6
83.04017	0.6
84.08119	1.0
91.05454	1.1
98.97569	1.4
110.90564	0.5
116.98623	0.8
119.04915	0.8
137.06009	0.8
143.00139	0.9
147.04410	3.5
148.04753	1.1
159.50743	0.5
164.07039	0.8
167.06969	1.0
177.05414	1.5
181.04883	2.5
182.05214	1.1
190.91190	0.6
193.08531	1.2
209.08133	1.0
210.08464	0.8
221.07945	1.8
222.08356	1.6
251.14685	0.6
258.07172	1.0
279.08618	0.7
284.09888	0.6
297.10132	0.7
321.10291	0.9
348.14877	0.6
376.14453	0.6
390.86569	0.8
393.16180	1.2
541.18640	1.4
573.20062	100.0
574.20465	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	573.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72931	0.8
51.86136	0.7
67.39692	0.8
67.40072	0.8
79.05473	1.8
84.08135	1.2
91.05487	1.9
95.04990	0.8
105.07047	3.6
106.87124	0.7
107.04948	4.1
115.05483	1.2
121.06548	0.9
123.04485	0.9
124.05229	1.4
128.06259	1.1
129.07007	3.1
131.04967	2.0
133.06517	3.2
133.58186	0.8
147.04413	3.6
149.05965	1.2
159.08115	2.4
161.05975	4.7
167.07036	29.8
172.05193	1.2
175.07524	5.7
184.05014	1.0
187.07555	9.3
191.07027	3.2
199.07599	3.3
203.05269	5.0
205.04790	1.1
209.05823	0.8
211.07300	9.3
214.04068	0.8
218.07301	1.1
221.09572	1.6
233.09624	1.9
246.06700	0.8
249.09152	2.3
261.09131	2.2
263.07101	0.9
274.56921	0.7
278.09204	0.9
281.11758	4.2
289.04825	0.8
289.08640	1.7
291.10010	1.2
293.11877	1.5
309.11237	1.4
313.08292	1.2
321.11200	2.0
334.20560	0.8
341.13852	4.6
344.10367	2.3
353.14032	1.6
363.08331	2.1
363.12149	5.4
375.12091	3.2
393.13101	4.6
395.14529	3.7
539.24854	0.9
573.19397	100.0
574.19727	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	573.1949
Annotation	Roritoxin C
Peak:m/z	Relative Intensity
52.75863	0.3
55.93328	0.2
56.37971	0.3
65.59599	0.2
66.63468	0.3
69.62159	1.1
71.09161	0.2
72.08153	0.9
74.06081	0.5
85.20932	0.2
93.48471	0.2
107.41088	0.2
137.06070	0.3
151.56117	0.3
157.33354	0.3
190.84253	0.3
248.46678	0.3
251.95692	0.3
274.97495	0.3
385.20865	0.4
410.81671	0.2
483.51309	0.3
533.03156	0.3
573.19440	100.0
574.19568	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	573.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86966	1.6
64.81756	1.2
67.05515	1.9
69.44517	3.9
69.44896	2.9
79.05495	3.6
81.07084	2.8
82.06598	1.6
83.08651	1.7
85.77686	1.4
92.08543	1.5
94.06587	2.0
95.08569	1.7
96.54946	1.5
105.07086	2.3
112.90656	1.6
127.10152	1.6
131.08469	1.7
134.05983	3.4
158.09691	2.4
159.62817	1.4
171.09192	2.3
172.07559	1.7
183.09262	2.4
185.10767	1.7
187.08659	2.6
195.09116	2.6
196.07672	2.1
196.09894	3.6
197.10806	8.7
198.11501	2.7
199.08711	2.4
201.10294	2.2
209.10826	2.0
210.11534	8.2
211.08727	4.3
211.12383	4.0
212.09291	2.0
223.08693	3.2
224.09468	5.8
225.10304	6.5
225.13747	8.7
227.08221	5.4
227.11725	3.5
228.08992	2.5
237.10254	6.5
238.11044	5.8
239.11789	13.0
240.12592	6.6
241.09715	10.0
241.13474	1.9
243.11461	2.0
251.11632	3.1
252.12660	1.6
253.13354	42.9
255.11285	3.4
283.10834	3.2
287.10486	3.4
288.11346	5.1
288.14679	1.8
297.12454	2.9
299.11880	1.7
300.11670	2.3
301.12253	3.8
302.12872	16.6
303.13596	6.6
313.12543	2.2
314.13193	2.1
315.13513	9.5
316.14435	15.4
317.15198	17.7
318.16080	9.2
328.10742	2.7
329.16171	2.4
330.16052	4.6
331.13266	2.9
331.16702	10.9
332.10431	4.8
332.17535	26.4
342.12558	3.4
343.13199	2.5
344.14047	3.2
344.17804	2.6
345.10886	1.6
346.12057	14.9
346.19098	36.1
347.12723	5.7
347.19876	18.9
347.65720	1.5
348.20734	4.0
358.15540	13.8
360.13373	15.5
361.14197	11.5
362.14902	14.7
372.17172	5.6
374.14630	2.5
374.18787	7.6
375.15717	23.7
376.16537	33.2
390.18124	87.4
391.18942	32.2
392.19656	6.9
395.14972	2.6
423.14117	2.4
435.18259	2.0
437.16199	1.9
439.18207	1.9
453.19946	2.8
505.22409	3.0
511.27054	4.7
523.23621	6.2
525.21143	2.2
529.28241	29.1
533.63977	1.6
537.24841	8.2
540.23663	2.2
555.26025	83.0
556.26166	6.0
558.24396	4.7
573.27100	100.0
574.27539	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3036
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.05512	3.4
57.03442	4.9
57.07077	24.6
62.81131	0.4
67.05506	7.3
69.07058	5.0
69.76985	1.0
69.77341	0.9
71.08633	16.2
71.28697	0.5
79.05510	0.5
81.03410	3.5
81.07063	7.7
83.08626	5.7
85.02898	0.5
85.10182	8.9
89.06012	0.6
91.05451	0.6
92.62398	0.5
93.07045	1.5
95.08605	11.1
97.10172	3.2
98.23384	0.9
98.98468	23.7
103.07601	0.7
103.20729	0.5
109.02888	3.0
109.10177	5.9
116.99572	0.5
123.11696	2.6
127.03923	0.7
137.13237	0.6
148.83319	0.4
155.01038	22.4
163.36028	0.4
173.02107	1.1
184.07281	0.7
188.99551	0.4
219.26401	0.6
239.23694	3.8
261.03751	1.5
298.27414	0.6
313.27362	100.0
314.27637	2.9
317.06277	3.5
335.07440	2.3
384.24506	1.1
393.23969	4.7
401.29056	3.5
537.28351	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	573.304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05517	5.0
56.30367	0.7
57.03444	5.2
57.07077	24.9
58.06588	0.7
59.82386	0.8
61.14219	0.7
67.05505	11.6
68.05832	0.9
69.07068	6.0
69.46434	3.6
71.08633	18.8
71.09033	1.2
78.85107	0.9
79.05486	3.2
80.82977	0.7
81.03418	4.5
81.07059	11.3
83.08625	6.1
85.10183	8.8
89.27467	0.8
91.05471	1.9
93.07047	2.9
95.08605	12.7
95.09151	1.4
97.06511	0.9
97.10179	3.0
98.23571	0.8
98.98470	27.0
105.07019	1.3
107.08614	1.3
109.02888	3.5
109.10161	7.7
110.10503	1.0
118.34579	0.8
121.10145	1.0
123.11686	1.4
133.10095	0.9
137.13283	0.8
139.11086	0.8
145.10071	0.8
155.01044	24.2
155.10684	1.4
173.02150	1.5
184.07405	1.1
239.23752	4.1
313.27371	100.0
314.27704	4.6
317.06326	3.9
335.07526	2.4
372.74609	0.8
383.24207	1.9
384.24500	3.6
393.24020	4.3
401.29001	2.8
537.28094	2.3
537.45923	0.8
573.36432	2.5
573.47980	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	5.3
59.89147	2.4
67.05501	21.6
69.07070	3.5
69.21055	7.3
69.21463	8.5
79.05465	3.9
81.03393	3.1
81.07050	7.7
86.09698	3.5
93.07030	6.4
95.08637	7.1
104.10724	2.8
109.10159	16.6
119.08553	2.6
128.98581	3.9
136.93112	20.1
144.22656	2.7
154.94164	30.2
161.96190	2.8
172.95232	37.6
173.11748	5.2
179.97281	3.7
190.96291	10.9
195.96889	4.0
197.98349	12.8
210.96785	14.8
215.97365	3.0
215.99400	5.5
228.97815	21.5
229.14308	19.7
246.74870	2.5
246.98984	3.0
317.17969	35.0
335.18961	8.0
358.20227	3.7
383.24176	7.5
394.16376	3.0
397.14221	5.4
453.17126	61.2
454.17117	4.2
454.64450	2.9
471.18182	100.0
472.17899	4.5
494.19742	17.1
514.22003	9.6
515.21381	4.9
521.34418	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	574.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.0
55.01870	2.7
55.05519	11.3
57.03426	2.8
57.07085	3.4
61.02937	4.1
67.05499	18.4
69.03430	15.6
69.07072	34.5
70.28438	4.0
79.05505	11.2
81.03413	12.2
81.07059	47.1
83.08607	14.4
85.02911	33.6
85.06539	2.3
86.09705	2.4
87.00828	13.0
91.05492	6.5
93.07042	23.8
95.08610	73.4
97.02888	18.4
97.10178	8.5
98.22781	2.7
99.04482	4.7
100.25346	2.2
102.42715	2.2
105.01873	25.6
105.07033	10.3
107.08595	45.9
109.02902	12.0
109.10165	54.9
111.11749	4.8
119.08585	13.7
121.10157	38.0
123.11720	25.6
127.03925	31.9
133.10158	10.4
135.11707	28.7
137.13272	4.3
145.04941	16.4
147.11723	12.1
149.02396	4.2
149.13264	47.8
151.14842	3.6
151.81790	2.2
159.02892	7.5
161.13271	9.5
163.14821	96.1
165.16389	3.6
173.13365	2.4
175.14836	6.7
177.16374	22.2
180.15146	2.2
184.07449	2.4
189.16377	8.6
191.17946	63.0
192.18407	2.2
203.17947	11.1
205.19591	2.5
217.19484	18.8
217.21333	2.7
231.05046	12.0
247.24174	2.4
249.06146	4.7
273.25781	100.0
274.26083	2.6
291.26791	15.3
385.09335	4.0
539.32007	8.6
574.25116	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	574.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39643	1.0
55.01878	12.7
55.05510	8.9
55.16887	1.0
57.07075	1.6
67.05505	8.7
68.05037	1.7
69.03419	2.2
69.07063	2.9
70.02937	2.9
70.06592	9.4
71.04994	18.2
79.05491	7.8
80.05028	2.5
81.07062	6.8
83.08602	4.8
83.91736	1.0
86.06054	3.1
87.04443	6.4
91.05467	3.1
93.07040	6.0
94.06581	2.3
94.11682	1.2
95.04958	1.7
95.08601	5.5
96.08128	10.3
97.10166	10.5
98.09700	26.4
105.06998	2.5
106.06548	3.3
107.08589	5.7
108.08131	8.7
109.10165	1.2
117.06976	1.6
118.42558	1.0
119.08561	3.1
119.53201	1.0
120.08105	3.1
121.10143	1.8
122.06034	18.2
124.07592	16.3
125.09642	6.9
135.08098	1.4
136.07574	24.3
140.07060	17.4
148.07579	19.3
149.08372	8.2
162.09160	2.2
176.10846	1.0
189.11195	1.4
198.14896	1.2
232.16988	12.7
242.15317	1.3
250.18037	25.8
260.14301	0.7
260.16452	49.6
268.19156	7.0
278.17496	29.6
296.18570	68.1
297.19028	2.3
351.38531	1.2
378.85214	1.1
556.39966	100.0
557.40240	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	575.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53514	0.3
66.41208	0.3
70.06602	0.3
115.91439	0.3
128.37639	0.3
129.10231	0.5
142.02156	0.3
367.11581	1.3
513.17151	0.3
560.18469	0.4
575.21014	100.0
576.21393	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	575.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68837	0.4
69.09665	1.6
69.10069	0.7
69.39575	0.3
70.06601	0.4
70.69009	0.4
108.83759	0.4
110.27499	0.4
114.28333	0.3
120.81937	0.4
123.61913	0.4
125.56711	0.4
575.20996	100.0
576.21265	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	576.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	5.5
67.05502	2.5
81.07070	3.3
86.09714	6.7
88.10566	1.6
93.07038	1.9
97.10182	2.4
102.92584	2.0
124.41021	1.7
136.93103	16.5
139.33560	1.9
154.94183	26.2
172.95230	27.9
177.95824	1.8
179.97360	5.4
190.96289	5.4
192.95737	3.5
195.96786	2.0
197.98358	10.6
210.96762	10.5
212.98582	1.9
215.99481	3.0
228.97885	19.7
319.19485	11.9
337.20419	14.3
360.21860	2.6
410.71475	1.8
428.66309	2.0
455.18573	23.5
473.19778	100.0
474.19980	7.2
496.21564	11.5
516.23889	9.8
517.23511	8.6
576.30780	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	576.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.5
55.05510	2.5
57.03420	1.3
57.07064	1.5
65.03932	0.4
67.05505	3.6
69.07071	3.2
71.04980	0.5
71.08618	1.3
79.05496	2.1
81.07057	5.9
83.08595	1.4
85.06530	1.0
91.05483	5.2
93.07045	3.6
95.04943	0.5
95.08607	5.7
97.06524	0.6
97.10152	0.4
99.08085	1.1
105.07031	2.2
107.08607	3.9
109.06522	8.6
109.10178	2.7
111.08061	1.2
119.04954	2.0
119.08574	2.9
121.10169	2.6
122.07307	0.5
123.04446	1.8
123.08068	29.4
123.11682	1.2
125.48948	0.4
131.08577	0.7
133.10129	2.2
135.08063	2.6
135.11699	0.9
137.05980	30.5
137.09599	1.9
137.13316	0.7
145.10135	1.2
147.11671	1.3
147.25803	0.4
149.09608	1.8
149.13245	1.1
151.11179	0.5
152.07008	0.7
154.08630	18.1
159.11720	1.0
161.13274	0.6
163.48665	0.4
163.72984	0.4
165.12744	0.9
167.14290	0.5
173.13332	0.4
175.14828	0.7
175.53571	0.4
177.12720	1.3
179.14313	52.7
180.14690	1.4
191.14308	0.6
193.15906	1.3
205.15967	0.5
233.19034	0.9
248.89677	0.4
263.20160	0.6
275.17142	0.4
275.20084	6.3
289.25275	0.9
293.21017	3.1
303.26862	2.1
313.25241	0.5
331.26324	15.7
332.26700	0.8
333.27789	2.2
349.23581	0.6
349.27399	4.8
351.28943	1.4
367.24838	5.7
368.25482	0.4
380.30203	0.4
405.29883	0.7
423.31055	100.0
424.31619	12.5
425.32675	4.3
445.39548	0.4
479.14386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.8
55.87770	0.9
57.03429	1.1
57.07071	1.8
67.05501	3.6
69.07065	3.2
69.79359	1.9
69.79728	2.1
71.04987	1.1
71.08632	1.7
71.43444	0.8
79.05495	2.8
80.18749	0.9
81.07059	6.5
83.08650	1.4
85.06545	1.3
91.05467	6.0
93.07037	3.9
95.08607	5.4
97.06505	1.4
97.10167	1.3
99.08082	1.0
105.07031	2.5
107.08607	3.5
109.06516	9.0
109.10172	2.7
111.08086	0.9
119.04961	2.0
119.08554	2.4
121.10160	2.9
123.04427	2.1
123.08071	24.8
125.09649	0.9
133.10136	2.5
135.08080	3.1
135.11766	1.7
137.05980	34.9
137.09602	1.7
145.10141	1.0
147.11678	1.8
149.09528	1.1
149.13274	1.1
150.52025	0.9
154.08635	17.1
159.11685	1.2
165.12596	1.0
167.14377	1.6
175.14832	0.9
179.14316	51.3
180.14684	1.6
193.15881	1.1
233.19145	1.1
275.20087	5.6
293.21045	1.8
303.26901	2.0
331.26334	15.9
333.27826	1.5
349.27530	4.5
367.24902	4.4
412.15402	0.9
423.31079	100.0
424.31613	10.9
425.32712	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	576.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
55.05512	3.3
57.03436	1.6
57.07065	2.9
59.65083	0.5
67.05503	6.0
69.07085	4.0
69.94857	1.3
69.95197	1.1
71.04983	1.1
71.08632	1.9
79.05479	3.0
81.07053	8.0
83.04955	0.9
83.08633	2.7
85.06558	1.2
91.05482	4.7
93.07045	3.5
95.08611	6.5
97.06535	1.5
97.10172	1.7
98.22807	0.9
99.08090	1.5
105.07067	3.4
107.08598	5.1
109.06521	11.0
109.07213	1.0
109.10175	3.0
111.08087	2.2
119.04948	2.1
119.08573	4.2
121.10153	2.6
123.04441	5.2
123.08070	35.0
123.11694	1.0
125.09632	1.7
131.08540	1.2
133.10158	2.7
135.08043	3.0
135.11703	1.6
137.05986	26.7
137.09631	2.2
145.10136	1.7
147.07980	0.6
147.11688	2.0
149.09599	2.0
149.13271	1.2
152.07123	1.7
154.08632	17.9
157.10063	0.6
159.11758	1.1
161.09651	0.9
161.13251	1.5
165.12845	1.4
167.14384	1.4
175.11220	1.2
175.14774	0.7
177.12761	1.2
179.14311	68.3
180.14684	1.8
189.11272	1.1
191.14250	0.6
193.15869	1.6
233.18988	0.6
247.20512	0.9
261.18542	0.7
263.20001	0.6
275.20041	9.0
277.21573	0.8
293.21088	2.6
303.26880	1.3
331.26306	14.6
332.26685	0.9
333.27853	4.7
349.27481	4.7
351.29089	2.6
367.24747	6.9
369.05466	0.6
405.30261	0.7
423.31058	100.0
424.31747	20.6
425.32538	12.3
541.33905	1.5
558.37030	0.7
576.40222	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	576.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07078	73.0
60.08166	6.4
67.05499	2.6
69.07055	3.8
69.94069	2.1
71.07363	2.4
71.08635	4.1
74.41980	2.2
78.35902	2.0
81.07053	4.2
86.09698	17.7
87.04482	14.0
89.06033	100.0
91.05486	7.5
93.07041	8.5
95.04999	5.1
95.08577	4.2
104.10746	82.5
105.07053	2.8
105.11102	2.4
107.08568	2.5
110.16032	2.7
116.07085	1.9
118.07825	3.9
119.04960	4.3
119.08596	5.0
121.06505	30.3
124.83530	2.3
131.07037	8.7
133.08604	69.1
135.08058	4.6
145.10129	2.5
146.98186	14.0
147.08031	11.6
149.09613	4.2
149.13275	2.0
150.06726	3.2
154.51920	2.2
159.11639	2.2
165.09064	12.1
167.10617	2.0
175.09673	3.5
177.11252	25.8
184.07388	2.6
191.10646	3.0
209.11679	7.4
221.13832	5.1
222.36932	2.3
233.18974	21.0
235.13205	3.1
253.14444	2.7
255.15913	2.8
259.20557	4.7
265.16403	2.7
277.21637	32.4
313.27423	5.7
321.24194	10.0
359.20752	2.6
403.23099	2.4
447.25934	23.2
459.24948	27.1
471.33618	2.4
518.32196	54.3
519.32788	3.1
559.38348	34.4
576.26306	2.7
576.42053	10.8
597.45642	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	577.0786
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24898	1.1
59.00013	1.0
59.07654	0.9
69.10408	6.0
76.25665	0.9
78.95654	5.7
86.99018	1.0
94.93011	4.3
96.92793	1.5
112.89592	3.3
114.89335	2.9
135.82973	1.1
136.94025	4.4
138.96481	1.4
139.92346	0.9
152.06079	1.0
160.94041	2.6
185.04236	4.8
190.97191	26.1
196.87831	2.6
203.05260	11.6
208.97255	3.1
232.92296	1.3
234.92151	6.8
234.96153	100.0
244.90097	2.2
268.92081	2.4
284.89429	3.8
294.89978	1.3
294.97028	18.8
300.86783	9.0
306.96967	2.8
310.87415	1.3
312.98178	5.0
324.98022	2.9
326.84583	2.2
336.85526	1.3
354.99155	3.0
365.10553	46.1
381.07941	14.3
397.00284	2.1
411.97180	1.1
419.03250	1.2
506.80676	2.8
524.85559	1.1
565.08850	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96525	1.7
61.91845	0.4
65.28470	0.3
66.05777	0.4
70.06585	0.4
70.58220	0.4
70.58563	0.5
84.96002	0.5
86.09648	0.8
98.97580	4.5
110.97547	0.6
116.98631	2.1
120.98639	0.4
123.04414	2.9
125.06839	0.4
131.00095	0.4
131.03902	0.3
131.04968	0.4
134.99533	0.4
135.04367	0.5
137.02390	0.5
139.03889	1.0
143.00070	0.9
146.43611	0.4
147.04424	0.9
149.57227	0.3
151.03874	0.8
161.01175	1.7
163.03938	0.5
165.05507	0.5
181.04788	0.6
203.03322	0.6
209.98349	1.6
213.05405	0.5
219.01772	1.0
223.05838	0.5
223.99754	0.4
227.99391	4.7
237.02867	0.4
245.04460	1.5
246.00401	0.9
247.05988	1.0
263.29337	0.4
271.05869	0.5
274.01584	0.6
275.02148	0.6
283.99878	0.6
285.00775	1.3
287.05551	2.0
291.01660	0.8
291.08408	0.6
292.02481	0.8
299.05505	1.1
302.00876	0.9
303.01816	3.1
319.01227	1.2
320.02039	0.6
330.00378	0.8
331.01242	3.3
339.98758	2.2
347.00946	0.7
348.01505	2.3
349.02191	0.8
355.01083	7.5
357.99924	7.0
359.00684	0.6
366.02435	0.5
373.02298	13.6
376.01016	38.3
377.01514	1.2
391.03354	100.0
392.03564	2.9
394.02081	11.4
395.02194	0.6
396.03885	1.6
399.02438	1.0
407.07431	0.9
409.04422	25.2
410.04892	0.5
414.04877	4.0
415.03156	2.4
417.03928	0.5
425.08499	1.5
427.03250	0.6
432.06241	0.8
433.04391	4.5
439.03482	1.1
445.04471	0.5
456.05869	0.6
457.04468	4.6
459.05908	3.5
469.04211	0.5
487.05533	2.1
499.05515	5.3
517.06549	59.8
518.06750	2.7
535.07635	11.1
558.09027	3.1
577.07916	3.1
577.27893	0.7
577.39368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1343
Annotation	Proanthocyanidin A1
Peak:m/z	Relative Intensity
54.71244	0.8
55.01865	4.1
58.37794	0.8
65.03937	1.4
67.05508	1.7
68.99794	3.3
83.01351	2.4
91.05492	2.1
95.04962	2.3
97.41872	0.9
105.03414	1.6
105.04475	1.0
109.02892	0.9
111.00829	1.1
111.04437	3.9
117.07012	0.9
119.04961	2.8
120.00472	0.9
123.04432	80.4
123.68488	1.0
124.04720	1.3
125.02396	1.5
127.03903	8.0
128.06209	1.6
129.07021	1.8
131.04871	1.4
135.04419	4.5
139.03903	64.4
141.07007	3.2
143.04898	1.7
143.08133	1.0
145.06512	2.2
147.04434	10.2
149.05959	1.1
151.03871	1.2
153.01778	1.6
155.03447	4.4
156.66704	0.9
157.06497	2.2
161.06003	7.0
162.05499	2.1
163.03915	9.4
165.05486	2.5
169.06483	3.1
171.04424	1.1
173.05942	4.9
175.03905	4.0
175.07544	1.8
177.05505	2.2
179.03404	4.9
181.06389	1.2
185.05907	5.2
187.03902	3.4
187.07587	3.6
189.05460	3.9
191.03331	1.6
197.05960	4.7
199.03931	1.1
199.07549	1.3
201.05484	12.0
203.03424	3.3
203.07030	3.0
211.03929	2.5
213.05467	9.5
214.06207	1.0
215.03471	1.3
215.07036	17.0
217.04962	3.2
225.05415	5.0
227.07045	3.2
229.04962	17.6
230.05725	6.4
231.06433	3.7
237.05374	1.7
239.07053	1.9
241.05042	5.4
242.05553	1.4
243.06563	16.9
243.90540	1.0
245.04448	8.0
247.06033	4.3
253.05034	9.4
255.06422	4.8
257.01892	2.0
257.04456	28.8
257.07156	1.4
258.05194	12.8
259.06027	27.4
260.06662	1.3
265.04910	2.1
267.06506	2.0
269.04486	7.2
270.05209	1.8
271.06012	37.0
272.06403	1.9
279.06216	1.1
279.39880	0.9
281.04492	3.4
282.05356	2.7
283.06033	7.4
284.09171	1.7
285.03989	2.2
287.05508	10.4
295.05881	3.1
299.05496	82.8
300.05823	2.8
301.07077	18.7
311.05438	7.2
323.05460	2.3
329.06659	1.2
330.43976	1.1
333.07291	1.7
361.07172	1.1
371.05664	1.1
379.07993	3.7
389.06592	2.2
391.08060	4.6
393.09335	1.0
397.09015	2.9
405.09802	2.5
407.07632	22.9
408.07590	1.5
409.09180	40.4
410.09662	1.7
419.07629	2.1
421.09106	4.8
425.08664	100.0
426.08871	3.3
433.08810	4.4
437.08774	4.2
439.09818	1.0
451.10596	4.9
451.16110	1.0
541.11310	4.1
559.12054	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	577.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02733	0.1
55.01874	0.3
68.99784	0.8
70.06582	0.2
81.03398	0.2
86.09685	0.5
91.05492	0.2
95.04959	0.3
100.51176	0.1
105.03389	0.2
111.00775	0.2
121.02867	0.5
123.04428	7.1
127.03897	1.2
129.07027	0.2
135.04436	0.3
137.02335	7.3
137.03343	0.4
139.03888	1.4
140.76053	0.1
147.04428	1.0
149.02350	1.0
151.03885	0.6
153.01797	0.5
155.03380	0.2
157.06497	0.4
161.05954	0.6
163.03868	0.7
165.01886	0.3
165.05440	0.2
171.04382	0.4
173.05948	0.1
175.03917	0.7
175.07516	0.2
177.01865	0.4
177.05490	0.4
179.03445	0.2
185.05937	0.8
189.05539	0.9
197.06023	0.2
199.03925	0.7
199.62828	0.1
201.05453	0.5
203.03339	1.1
203.04974	0.2
203.07057	0.2
206.96051	0.2
213.05434	1.2
217.04921	0.5
219.06534	0.2
221.04498	0.2
227.03386	0.9
229.04903	0.2
231.06490	1.2
241.04990	0.9
245.04431	1.3
247.06139	0.8
253.05089	0.2
255.06502	0.5
257.04697	0.2
258.05237	0.2
259.05954	1.1
269.04425	0.8
270.41809	0.2
271.05939	1.4
273.07629	0.3
283.05798	0.3
287.05487	100.0
288.05841	3.0
293.04214	0.2
299.05521	2.7
307.06091	0.2
311.05460	0.5
313.07019	0.4
335.05566	0.4
377.34671	0.2
396.99811	0.3
407.07593	0.4
409.09015	0.2
415.27603	0.2
419.07608	1.4
420.07895	0.2
425.08658	12.6
426.09027	0.5
437.08652	5.4
438.09055	0.3
451.10205	0.2
457.02112	0.2
533.28809	0.4
559.12311	0.6
577.28198	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1342
Annotation	Dehydrodicatechin A
Peak:m/z	Relative Intensity
55.01863	4.5
55.43132	1.3
65.03928	1.4
67.05489	1.8
68.99789	6.7
81.03410	1.7
86.09664	2.3
86.93345	1.5
95.04980	2.5
99.00819	1.5
102.95209	1.4
105.03379	2.4
107.04930	1.7
111.00801	2.9
111.04417	1.5
114.31937	1.6
115.05421	1.5
119.04939	6.0
121.02853	1.9
123.04431	100.0
127.03917	13.9
135.04390	5.5
137.02353	15.4
137.03375	2.0
139.03900	41.4
143.04903	4.0
146.90750	1.4
147.04408	26.2
149.02348	14.4
151.03911	7.2
153.01819	18.8
155.03354	2.5
155.05020	1.7
159.04358	1.9
161.05991	14.9
163.03889	13.3
165.01840	4.1
165.05435	10.5
167.03398	3.6
169.06389	1.9
171.04413	2.9
171.74883	1.7
173.04683	1.4
173.05927	7.0
175.03882	17.2
177.05551	3.1
179.03406	3.7
179.07004	2.2
181.04959	4.4
183.04369	2.7
185.05991	6.0
187.03903	4.5
189.05484	10.2
189.06926	1.5
191.03407	2.4
191.07057	2.2
197.06029	6.4
199.03856	3.2
200.04659	1.8
201.05447	14.8
203.03374	22.8
205.04849	2.0
207.06578	5.3
207.14745	1.5
211.04031	3.2
213.05484	9.2
215.03503	1.9
215.07042	2.3
217.04982	3.5
221.04370	7.4
225.05484	5.3
227.03421	6.2
227.07104	2.0
229.04971	11.8
231.06512	16.5
233.04465	1.6
237.05489	2.0
239.03374	2.2
241.05000	6.2
243.06453	7.0
245.04463	26.0
247.06024	41.4
248.06554	1.6
253.04895	8.7
254.05861	1.6
255.06607	5.2
257.04401	12.4
259.05960	18.8
259.08475	1.8
264.13309	5.1
265.04993	3.1
269.04407	15.8
270.05045	1.9
271.05991	22.6
273.07556	2.3
275.05490	5.2
279.06607	1.8
281.04422	14.9
282.05148	2.2
283.05991	9.7
285.03922	1.8
287.05499	87.1
288.05887	2.8
291.08667	21.7
295.06134	2.4
299.05496	56.6
300.05905	2.4
301.07092	7.9
303.04947	3.9
311.05499	12.3
315.04990	2.4
321.15244	1.5
323.05490	6.1
327.05151	1.6
335.05637	2.4
361.07269	2.4
367.15915	6.6
379.07877	2.3
389.06683	6.9
391.08185	1.8
397.09222	2.0
407.07599	46.4
408.08017	2.7
409.09229	4.2
411.10739	7.8
419.07532	5.5
425.08670	75.3
426.08859	3.6
433.09253	5.0
437.08673	5.2
446.20233	2.3
451.10220	20.0
464.21097	16.0
533.29730	2.5
541.11554	4.0
559.12500	13.8
576.34937	4.2
577.13348	30.1
577.29327	48.2
577.38049	3.2
578.13812	2.1
595.34467	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92619	2.3
70.06601	3.3
70.60045	3.1
87.28165	2.3
93.90710	2.1
112.90250	2.2
128.81551	2.3
129.10326	4.1
281.04327	3.8
313.07080	8.7
415.18436	4.3
505.97226	2.5
577.16937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1687
Annotation	Fisetinidol-(4alpha->8)-6-C-methylcatechin
Peak:m/z	Relative Intensity
52.36930	0.8
65.36569	0.9
69.25607	4.7
80.44608	0.8
97.86209	0.9
116.86327	0.8
141.30171	0.7
146.07251	1.1
165.02226	0.9
507.70340	0.8
577.16864	100.0
578.17188	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	577.205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24638	0.6
69.78123	2.3
72.59335	0.6
84.54635	0.5
95.73764	0.5
106.75507	0.7
195.93112	0.6
264.14233	0.6
306.63147	0.6
395.10922	3.3
410.13361	8.3
411.14517	0.6
463.41946	0.6
577.20453	100.0
578.20721	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	578.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46976	0.8
53.03940	1.5
55.01879	2.6
55.05515	10.7
55.58976	1.0
57.03440	3.8
61.02920	1.8
66.70102	1.0
67.05511	10.7
68.75868	0.9
69.03441	2.3
69.07066	11.9
71.04953	1.1
73.02910	1.0
74.51153	1.0
79.05492	10.9
80.69347	1.0
81.03419	5.0
81.07051	17.9
83.04984	7.9
83.08627	4.7
85.02928	4.0
91.05483	8.2
93.07047	10.3
95.04949	5.4
95.08595	6.4
97.02921	1.5
97.06538	3.1
97.10186	7.1
99.00830	1.1
105.07046	5.3
107.04974	4.3
107.08595	6.8
109.02892	2.7
109.06544	3.7
109.10162	3.8
111.04453	2.2
111.08113	2.1
117.07038	4.1
119.08575	6.1
121.06516	3.4
121.10185	2.6
123.04421	1.3
123.08068	2.8
123.11796	1.2
125.09666	5.1
131.08595	3.7
133.10130	5.8
135.08038	8.6
135.11685	2.7
137.09645	3.3
137.27419	0.9
139.07590	1.3
143.08560	1.3
145.06497	2.5
145.10126	3.0
147.08076	1.2
147.11708	1.6
149.09616	2.3
151.11124	2.0
153.09175	1.9
153.12776	1.3
155.08525	1.1
157.10161	1.5
159.08115	2.6
159.11806	1.1
161.09674	3.3
163.07613	5.1
163.11134	1.9
171.10280	1.3
175.11191	1.2
179.10699	1.7
181.12282	1.4
189.09143	1.5
189.11183	2.8
191.10692	2.3
193.12259	12.0
211.13239	1.5
227.12698	1.4
261.18491	2.3
271.16925	4.0
283.15445	2.6
289.17978	15.8
307.18976	4.7
311.11172	0.9
363.21735	8.5
381.22717	100.0
382.22961	4.0
485.70703	1.0
578.32343	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
55.01860	5.7
55.05512	12.9
57.03425	3.6
59.36158	1.1
61.02909	3.9
65.03958	1.4
67.05505	12.4
69.03436	2.3
69.07073	18.3
69.14634	6.7
69.51875	1.0
69.56934	1.0
73.02898	1.5
79.05496	15.0
80.47490	1.0
81.03413	6.7
81.07056	25.0
83.04984	6.9
83.08629	8.3
85.02896	5.2
85.06542	1.6
91.03953	1.6
91.05478	13.0
93.07042	11.5
95.01519	1.1
95.04967	8.3
95.08624	6.7
97.02858	3.0
97.06528	3.3
97.10168	9.9
99.00760	1.2
99.04456	1.6
99.08080	1.9
105.07052	8.7
107.04971	6.3
107.08578	11.1
107.71412	1.3
109.02892	3.0
109.06524	5.5
109.10174	5.6
111.04447	2.3
111.08089	2.4
112.04386	1.1
115.05441	1.5
117.07033	5.8
119.08595	8.1
121.06499	3.7
121.10148	5.1
123.04382	2.5
123.08097	2.2
125.09628	7.1
129.06998	2.6
131.08549	4.4
133.06505	2.0
133.10126	6.4
135.04407	2.6
135.08032	13.6
135.11713	4.5
137.06017	1.7
137.09628	5.7
139.07509	1.2
142.07680	1.3
143.08588	2.8
143.18350	1.2
145.06451	2.4
145.10100	3.3
147.08041	2.1
147.11711	2.8
149.09647	2.5
153.09090	2.0
153.12732	2.1
157.08661	1.1
159.08034	3.9
161.09605	5.3
162.07910	1.2
163.03944	1.2
163.07570	8.4
163.11118	2.6
171.10219	2.8
171.11748	1.2
173.09595	2.8
175.11256	1.8
177.09108	1.6
179.10619	2.4
187.11073	1.7
189.11205	3.4
191.10626	1.7
193.12218	20.9
205.91544	1.1
221.11691	1.4
227.12784	3.6
240.10393	1.3
243.17384	2.8
253.15938	1.5
261.18552	4.1
267.15814	2.8
271.17029	6.5
283.15381	3.7
289.17975	30.1
290.18124	2.3
307.18976	10.6
349.71930	1.3
363.21655	20.0
364.21835	1.2
381.22723	100.0
382.22870	4.2
399.24161	1.4
431.51242	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94743	0.4
52.08913	0.4
55.67652	0.5
56.05018	0.6
57.07063	1.4
58.06595	1.3
59.31536	0.4
60.08162	5.4
67.05486	0.9
71.07375	2.6
71.08612	0.4
81.07047	1.1
86.09706	12.1
89.06033	0.7
95.08608	0.8
102.09199	0.5
104.10743	100.0
105.11089	0.7
109.10143	0.5
125.00031	0.8
125.98015	0.4
156.97516	1.1
163.01631	0.5
174.98590	1.7
182.99055	6.6
196.70082	0.4
201.00116	8.9
206.00673	0.5
208.93039	0.5
213.00150	1.3
215.23117	0.4
215.29982	0.4
216.99574	0.6
221.00674	1.6
224.01819	0.5
225.00182	0.9
239.01651	3.5
243.01193	1.7
255.01071	0.5
266.06564	1.0
284.07474	1.7
313.27350	0.5
322.01569	0.9
362.23627	0.5
419.25577	0.5
421.21960	0.7
439.23080	0.9
451.22861	0.6
475.21674	1.0
478.32977	1.2
480.29050	1.3
518.31793	1.1
519.25781	1.3
578.32898	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	578.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23121	2.0
52.33012	2.1
55.01886	2.3
55.05510	8.5
57.03459	3.1
59.57707	2.1
60.63253	2.3
62.33960	2.1
67.05525	13.6
69.03434	2.7
69.07066	8.5
69.38713	2.2
71.04984	6.5
73.03442	2.2
79.05486	17.7
81.03407	4.6
81.07065	35.7
83.08624	6.5
89.68736	2.1
91.05487	12.3
92.23305	2.2
93.07050	11.6
95.04974	5.4
95.08612	12.4
97.06535	5.3
105.07022	10.6
107.04973	3.3
107.08577	9.9
109.06517	14.3
109.10171	8.0
111.08000	2.5
117.07022	3.0
117.96499	2.3
119.08574	12.2
121.10136	7.6
123.08070	5.3
131.08566	5.6
133.10135	6.3
135.11696	3.7
141.56908	2.4
145.10129	8.0
147.11691	5.6
149.09627	3.6
149.13203	2.8
157.10179	2.5
159.11682	5.4
161.13222	3.6
163.11217	2.7
163.14798	2.4
217.03250	2.0
228.23250	15.2
229.14314	4.5
247.20570	3.5
257.19235	2.8
269.17328	3.2
275.20081	24.5
307.22559	2.9
331.46918	2.3
349.23755	100.0
350.23868	2.8
367.24750	6.4
381.26312	28.6
393.58807	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	579.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.5
53.03940	0.8
55.01866	1.0
60.32305	0.4
65.03934	1.1
67.05473	0.5
68.99785	2.9
70.53051	0.9
70.89207	0.5
73.13428	0.5
77.03941	0.5
79.85458	0.5
81.03419	2.3
83.04950	0.5
85.02923	0.7
85.41542	0.5
89.03936	0.8
91.05482	0.5
93.03406	1.0
95.04984	1.4
105.03410	0.7
107.04954	2.9
109.02874	2.8
111.00803	1.8
111.04441	2.2
115.05413	0.6
119.04944	1.5
121.02880	1.0
123.03520	1.2
123.04433	37.1
127.03920	100.0
128.04228	0.9
131.04893	0.6
132.90950	0.5
135.04424	28.5
136.04681	0.6
137.02350	1.7
139.03905	49.2
140.04198	0.7
143.04895	0.9
145.06506	0.8
147.04411	7.0
149.02322	3.1
149.05971	1.5
151.03918	7.6
157.06476	0.6
159.04477	2.4
159.07851	0.5
161.06027	3.2
163.03906	34.7
165.05482	8.0
167.03397	4.5
169.05095	0.7
169.06465	1.1
173.05945	2.7
175.03935	2.4
177.05496	3.1
179.03406	1.4
179.07077	0.6
181.04895	0.8
183.04405	0.9
185.06027	0.9
187.03865	5.8
187.07489	0.7
189.05515	1.4
191.03394	5.8
193.04964	2.1
197.05963	2.6
201.05484	4.4
203.03377	5.5
203.07005	1.7
205.04996	2.5
207.06511	1.6
213.05435	0.9
215.03403	1.3
215.07007	2.0
217.05026	0.7
225.05281	1.2
227.03377	0.5
229.04945	5.3
231.06537	1.0
233.04462	2.7
241.04918	1.3
243.06552	5.2
245.04466	4.2
247.06033	11.2
251.05563	1.0
253.04761	0.6
255.06480	0.7
257.04489	6.5
259.06000	5.3
261.07565	0.9
269.04498	1.3
271.06030	15.9
273.07578	1.5
275.05527	10.2
283.06073	4.2
285.07376	0.6
287.05505	12.4
289.07074	17.3
291.08636	21.1
299.05536	2.3
301.07092	8.4
303.08676	1.8
386.04990	0.5
409.09177	13.6
411.10727	1.0
421.09271	0.8
423.07034	0.7
427.10275	5.3
435.10040	0.7
439.10410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
65.03947	0.7
66.57134	0.4
67.01837	0.5
67.05518	0.5
68.99793	4.8
69.82975	1.0
77.03919	0.7
79.05486	0.5
81.03415	3.7
89.03918	1.2
93.03407	1.0
95.04966	1.7
98.22725	0.9
99.04461	0.9
103.05486	0.6
105.03407	1.0
107.04957	2.8
109.02866	3.5
111.00813	2.2
111.04462	2.2
113.50866	0.5
115.05416	0.7
117.03374	1.2
119.04919	2.5
121.02883	1.1
123.04430	40.3
127.03912	100.0
128.04253	1.4
131.04910	1.7
131.08577	0.8
135.04414	31.2
137.02325	2.6
137.05913	0.8
139.03899	49.9
140.04323	0.7
141.06967	0.8
143.04884	1.1
145.06488	0.9
147.04411	7.1
149.02336	4.0
149.05991	1.3
151.03905	6.9
157.06516	0.5
159.04395	3.0
161.05997	3.5
163.03899	31.8
164.04417	0.6
165.05472	6.3
167.03395	7.1
169.06511	1.8
173.05956	3.0
175.03874	2.9
177.05482	3.6
179.03409	2.7
179.06990	0.7
181.04939	0.6
181.06502	0.9
183.04462	0.7
185.06030	1.2
187.03798	4.4
187.05380	0.6
187.07585	1.0
189.05489	1.4
191.03383	10.9
193.04971	3.0
197.05948	3.4
201.05457	6.5
203.03391	8.9
203.07083	1.6
205.04977	3.2
207.06546	0.7
209.06131	0.5
213.05489	1.3
215.03384	1.2
215.06921	3.0
217.04964	1.0
225.05446	0.9
227.07048	0.8
229.05020	6.0
231.06584	1.3
233.04448	4.7
241.04912	1.5
243.06523	4.4
245.04474	5.4
247.06017	12.2
251.05446	1.0
253.05063	1.4
255.06483	1.1
257.04425	8.5
259.06009	6.9
269.04434	1.9
271.06000	15.6
273.07611	1.2
275.05499	10.7
279.72195	0.5
283.06027	6.1
287.05487	17.6
289.07050	14.2
291.08615	16.7
299.05472	2.9
301.07086	10.0
303.08575	1.6
313.07050	0.6
316.05630	0.6
366.79831	0.4
409.09152	17.6
411.10690	2.1
421.09174	1.0
427.10397	5.2
435.10855	0.6
439.10388	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1498
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.15239	0.6
55.01869	1.5
65.03938	0.9
67.01870	0.7
67.05516	0.7
68.99784	4.5
70.96496	0.7
79.09547	0.6
81.03419	2.8
89.03909	1.3
91.05457	1.0
93.03389	0.9
95.04985	1.9
102.31265	0.6
103.04142	0.6
105.03349	0.8
107.04937	2.7
109.02892	3.4
111.00777	1.5
111.04426	2.9
115.05424	0.7
119.04931	1.2
121.02882	1.3
123.03517	1.4
123.04427	39.3
127.03912	100.0
128.04268	0.8
131.04910	1.9
135.04416	32.5
137.02306	2.1
137.06015	0.8
139.03894	49.3
140.04259	1.0
141.06902	0.8
143.04924	0.8
145.06519	0.8
147.04411	7.3
149.02330	3.2
149.05951	1.9
150.30862	0.6
151.03903	8.4
155.04849	0.6
159.04424	3.3
161.05992	3.1
163.03900	31.0
165.05473	5.1
167.03397	4.2
169.06467	1.4
173.05991	3.1
175.03926	2.4
177.05437	2.8
179.03432	2.2
181.86559	0.6
183.04439	0.8
185.05916	1.0
187.03868	5.7
189.05441	1.7
191.03398	8.5
193.05077	1.4
197.05956	3.1
201.05460	6.0
203.03381	4.6
203.07045	2.6
205.04996	2.5
207.06493	1.4
213.05458	1.0
215.03447	0.9
215.07001	2.3
217.05022	0.7
225.05417	1.1
229.04985	5.8
231.06493	0.9
233.04411	4.0
241.05040	1.5
243.06514	4.0
245.04419	3.9
247.06006	9.8
255.06456	1.0
257.04477	6.4
259.05948	5.2
269.04364	1.4
271.06033	16.0
273.07712	0.9
275.05515	9.5
283.06119	3.0
287.05502	10.9
289.03955	1.2
289.07059	17.6
291.08624	21.1
292.08853	0.9
299.05582	1.9
301.07083	9.0
303.08502	1.0
409.09161	14.3
411.10916	1.5
427.10236	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	579.1501
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02372	1.5
55.01862	1.6
57.03430	0.8
59.96922	0.6
65.03934	1.0
66.92709	0.6
67.05492	0.7
68.99795	3.9
69.60175	2.5
71.04998	3.5
77.03940	0.9
79.05504	0.6
81.03414	2.0
85.02890	3.8
89.03934	0.6
91.05478	1.5
92.39774	0.6
93.03374	1.0
95.04953	2.7
95.63528	0.6
98.23445	1.3
102.23119	0.8
105.02691	0.6
105.03385	1.7
107.04955	3.2
109.02871	2.0
111.00828	1.7
111.04451	2.2
115.05403	0.8
117.03363	0.9
119.04943	4.9
121.02863	1.6
123.04427	100.0
124.04688	0.7
127.03912	66.1
129.05470	0.9
131.04900	1.2
135.04416	27.6
137.02335	2.7
139.03902	29.8
143.04877	1.6
147.04416	15.1
149.02364	3.3
149.05977	1.1
151.03906	5.1
155.04965	1.0
157.06531	0.7
158.31105	0.6
159.04434	2.6
161.05974	5.0
163.03905	32.1
165.01802	1.5
165.05460	7.2
167.03389	4.2
167.07010	0.9
169.06549	0.9
171.04387	0.7
173.06033	3.2
175.03845	3.1
177.05466	2.4
178.90596	0.6
179.03398	5.6
181.04935	2.5
183.04398	1.3
185.06035	1.9
187.03909	4.7
189.05441	3.7
191.03389	8.0
193.04974	6.5
194.69893	0.6
197.05974	2.8
201.05493	6.1
203.03386	8.5
203.07077	1.7
204.03775	0.7
205.04962	2.6
207.06453	2.8
212.15863	0.6
213.05481	2.5
215.03455	1.9
215.07013	1.7
217.04976	3.1
225.05531	1.2
227.06956	0.9
229.04988	7.2
231.06522	1.6
233.04425	1.8
241.04898	1.4
243.06485	4.0
245.04460	15.1
247.06032	16.2
253.05101	0.9
255.06496	2.4
257.04413	13.8
258.05115	3.2
259.06046	4.2
267.06461	1.9
269.04456	2.7
271.05984	15.6
273.07492	1.9
275.05499	11.1
275.08319	0.5
283.06009	17.9
284.06741	0.8
285.07544	1.9
287.05493	32.7
288.05887	0.8
289.07068	7.9
291.08591	10.5
295.06012	1.9
299.05521	9.7
301.07053	7.9
303.08591	2.4
309.07565	2.4
311.05316	0.9
313.07059	11.4
315.08698	1.1
323.09189	1.5
337.07040	4.2
349.06943	1.4
361.07205	1.2
367.07983	2.9
379.08279	1.4
391.08176	0.7
397.09271	1.8
409.09186	31.8
410.09445	1.1
411.10852	3.1
415.10229	4.3
419.81314	0.7
421.09198	2.3
427.10370	5.4
433.11267	6.8
435.10693	4.0
439.10291	4.5
453.11926	1.5
561.14044	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1713
Annotation	vitexin-2''-O-rhamnoside
Peak:m/z	Relative Intensity
56.17513	0.7
57.03442	7.6
69.28880	3.8
71.04995	34.4
73.02924	0.9
75.04473	1.3
75.15443	0.7
81.03397	0.7
85.02907	37.5
87.04464	1.0
88.80888	0.7
91.05475	0.8
109.02895	0.7
111.04425	0.7
119.04952	2.0
121.02875	4.9
129.05499	5.5
145.02875	1.8
149.02324	1.9
163.03889	2.9
165.01839	8.1
167.03378	2.7
167.07022	7.1
173.06049	1.3
177.01915	1.1
177.05508	0.9
181.04955	1.8
183.02937	2.1
187.03828	1.1
191.03334	1.3
195.02869	1.4
203.03406	0.7
229.05002	0.9
239.06940	0.9
243.02930	0.8
261.03976	1.0
267.06519	7.8
270.05133	3.8
271.05978	7.7
279.06531	1.4
281.08081	6.8
283.06003	100.0
284.06677	11.6
285.07257	0.9
295.06052	12.5
295.09509	2.2
297.04291	0.9
297.07593	3.3
305.08105	2.9
307.05963	2.1
308.06714	1.6
309.04053	1.8
309.07544	20.8
313.07059	89.4
314.07339	3.2
321.07520	2.3
323.05438	0.8
323.09100	19.6
333.07510	3.6
334.08356	0.8
335.05524	1.3
337.07062	43.2
338.07468	1.8
349.07095	13.0
350.07428	1.1
351.08594	3.3
361.06998	11.3
361.57257	0.8
362.07272	1.1
367.08115	23.8
368.08649	1.7
379.08145	18.2
397.09195	20.1
415.10242	46.4
416.10541	2.0
417.15399	2.2
433.11298	68.5
434.11566	2.5
579.20660	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	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03943	0.3
55.01850	0.5
57.03421	0.2
65.03923	1.0
67.05489	0.3
69.03416	1.5
70.06580	0.3
70.62190	0.5
78.04710	1.8
79.05459	0.8
81.03391	0.7
84.30656	0.2
85.02909	1.9
86.09685	0.5
87.04443	0.3
91.05457	1.1
93.03368	0.4
95.04944	0.7
96.05738	0.5
97.02872	0.7
97.06548	0.4
103.05450	0.5
105.04504	0.4
106.04137	1.2
107.04932	1.1
110.03663	0.4
115.05460	2.8
117.02251	0.2
117.07017	5.6
122.03631	0.4
123.04434	5.3
124.05215	1.9
124.42449	0.3
125.05980	0.3
127.03909	0.5
127.05398	1.1
131.04903	0.3
134.03589	0.6
137.05978	0.3
138.03093	0.3
145.06485	9.8
147.04454	0.2
147.08060	0.6
149.05981	0.3
149.54665	0.2
151.03894	1.1
151.05045	0.2
152.04684	1.8
153.05455	1.2
154.06366	0.3
155.04953	0.2
155.06027	4.5
161.06004	0.5
165.05508	0.3
167.07034	100.0
168.07368	1.6
171.06506	1.3
172.05215	0.3
173.05983	20.6
175.07553	0.8
177.05528	0.3
181.04951	22.4
182.05287	0.5
189.05145	0.3
200.14064	0.3
201.05466	0.8
205.08604	4.3
233.08089	4.8
235.09686	4.2
266.39114	0.3
295.09598	0.3
369.13461	0.3
387.14352	14.9
388.14615	0.4
417.11249	0.3
417.15408	11.5
579.20715	56.4
580.20929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2072
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
65.03928	1.2
67.05502	1.1
69.03432	0.8
69.54888	2.3
78.04712	2.9
81.07049	1.4
85.02911	1.6
91.05459	1.1
93.07032	0.8
95.08607	1.1
105.07038	1.0
106.04176	1.1
107.04951	1.9
115.05457	2.7
116.86117	0.6
117.07020	5.5
121.06529	0.8
123.04457	5.8
124.05222	1.6
134.03647	0.8
145.06505	7.4
147.04430	0.8
151.03954	1.1
152.04700	1.1
153.05423	1.3
154.27718	0.6
155.06052	3.7
163.03944	1.0
167.07047	100.0
168.07401	2.0
171.06459	1.2
173.05984	17.6
173.07448	1.1
181.04958	18.8
205.08556	3.7
233.08041	4.0
235.09631	2.9
240.99954	0.9
270.70490	0.7
387.14359	11.6
417.15457	56.7
418.15637	1.6
433.15112	1.8
519.15149	2.4
545.42859	0.8
579.20526	7.4
579.28375	0.9
579.34973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13723	0.5
53.03948	1.8
55.01870	3.0
55.03497	0.4
55.05506	10.6
57.03432	3.6
57.07082	3.3
65.03931	2.6
67.05502	62.5
68.05832	0.9
69.03434	2.6
69.07062	9.3
70.07052	0.7
71.04987	2.6
71.08626	1.7
73.02907	3.4
75.04484	1.2
77.03889	0.9
79.05489	33.6
80.06297	0.4
81.03417	4.3
81.07053	70.5
82.07406	0.8
83.04976	1.8
83.08607	6.0
85.02898	3.1
85.06535	2.5
85.10182	0.4
90.10749	0.3
90.54494	0.5
91.05474	17.3
93.07039	44.7
94.07384	0.5
95.04968	3.7
95.08601	52.2
97.02895	1.9
97.06546	2.6
97.10159	3.5
98.98447	2.5
99.04436	3.0
99.08092	1.9
103.03941	0.5
103.05464	0.7
105.04540	1.4
105.07024	16.0
107.04975	0.8
107.08587	31.0
109.02887	7.7
109.06513	2.0
109.10153	32.9
110.03677	3.4
110.10485	0.6
111.04448	3.9
111.08091	1.6
111.11721	0.8
113.09696	1.0
115.05450	0.7
117.07011	8.5
119.08575	13.5
121.10138	26.5
122.10458	0.7
123.08101	1.4
123.11699	17.6
125.09618	1.4
127.03907	3.9
127.11202	1.2
129.07002	1.4
130.07779	0.5
131.08563	17.2
132.99515	1.1
133.06424	0.5
133.10115	13.1
135.08064	0.5
135.11687	21.9
137.09636	1.7
137.13254	7.9
139.11198	1.4
143.08525	1.0
145.10118	13.7
147.11685	11.1
149.09573	1.2
149.13251	16.9
151.11195	1.4
151.14790	2.3
153.12741	1.4
155.01038	2.2
155.08566	0.6
157.10156	0.8
159.11681	14.7
161.13255	8.2
163.11131	0.9
163.14807	11.6
165.12756	1.4
165.16367	0.6
167.08554	0.6
169.10013	0.5
171.11703	1.4
173.13242	14.6
175.14816	2.8
177.12805	1.1
177.16373	4.3
179.14281	2.1
185.09700	0.6
185.13211	0.9
187.14795	8.3
189.16371	0.7
191.00050	3.8
191.14307	0.9
193.15781	0.5
199.14919	0.6
201.16379	3.3
205.15869	1.9
209.01157	1.3
213.12785	0.7
215.17976	1.4
217.19568	0.5
219.17455	1.6
233.18936	0.7
233.22598	3.8
243.21082	27.8
245.22659	1.0
259.20615	1.0
261.22122	100.0
262.22464	2.7
263.23676	2.6
279.23264	5.9
285.21863	0.5
303.23111	2.5
317.24829	1.6
335.25790	20.5
336.26163	0.7
337.27362	2.6
347.25760	0.5
351.22635	0.6
353.26855	86.3
354.27341	2.3
369.24002	3.2
371.25735	0.8
377.27176	2.3
387.25153	0.6
389.26813	1.1
401.26804	0.6
419.27805	0.6
425.26587	0.5
427.28400	1.0
433.20554	1.2
443.27811	1.7
445.29614	0.7
451.21494	3.0
469.22357	2.6
487.23553	1.6
507.23972	0.8
525.24896	0.6
543.26019	1.3
561.27271	8.7
562.27759	0.7
579.27979	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	580.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01210	0.8
53.03938	0.9
55.01874	6.6
55.05518	6.2
57.03443	6.2
57.07079	2.4
62.06078	1.1
65.03925	1.2
66.54126	0.8
67.05502	11.9
69.03440	1.5
69.07069	11.1
69.78622	2.5
71.04985	1.9
71.08636	4.4
72.04516	1.0
79.05496	9.5
81.07059	17.2
83.04969	2.3
83.08620	5.5
85.06539	2.5
91.05479	7.2
93.07046	10.9
93.65791	0.8
95.04990	4.5
95.08598	12.4
97.06531	6.8
97.10184	1.1
98.98467	4.0
99.08066	2.3
101.09621	1.3
105.07003	8.5
107.08585	9.8
109.06522	7.4
109.09529	0.9
109.10114	5.0
110.09691	0.8
111.08097	1.6
114.09480	1.1
117.07054	1.5
119.08576	9.0
121.06511	1.5
121.10119	6.2
123.08094	7.8
123.11739	1.9
123.85247	0.9
125.00032	1.9
125.06020	3.6
125.09616	1.7
128.75388	0.8
131.08537	5.5
133.10133	8.2
135.08055	21.1
135.11687	4.4
137.05968	1.4
137.09625	1.7
143.08568	3.7
144.09415	1.2
145.10133	7.1
147.08092	1.3
147.11702	4.6
149.09613	3.0
149.13252	3.0
151.07607	1.7
151.11189	1.4
152.14363	2.3
157.10127	3.1
159.11751	2.8
161.09633	3.7
161.13275	1.7
163.11227	2.7
165.09166	1.2
165.12761	2.6
167.14308	1.6
169.10088	1.2
170.15440	4.6
171.11731	2.3
173.09621	1.1
173.13235	5.0
175.11174	2.9
175.14880	3.1
177.12733	10.8
179.10698	1.8
179.14313	10.9
181.12361	1.0
185.13234	2.4
187.11206	1.2
191.14290	2.7
193.12294	2.8
203.14389	2.1
205.15823	5.0
207.13863	2.5
216.06390	1.4
239.16533	1.1
245.19168	1.2
248.87184	0.9
250.11952	0.9
254.17514	1.1
263.20090	2.4
266.21243	1.0
268.13126	11.6
287.20007	2.0
289.21661	3.2
301.25217	1.9
305.21069	2.6
313.20074	12.1
319.26279	2.0
329.24625	7.1
330.24814	1.0
345.24393	1.8
347.21725	1.1
347.25809	19.5
367.26468	1.2
372.28906	2.6
373.27328	2.7
385.27444	7.1
390.29971	2.3
403.28418	100.0
404.28784	2.8
420.21378	1.1
421.29422	28.3
422.29767	1.5
438.22610	4.1
439.30365	3.3
446.32642	1.1
483.25238	1.5
501.26175	9.6
526.29517	2.0
544.30334	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	580.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.7
56.05047	2.9
67.05506	7.5
69.03423	1.9
69.07069	6.4
70.70753	2.4
73.76690	1.2
79.05508	3.3
81.07067	8.4
83.08610	3.3
84.04506	100.0
85.02909	5.1
85.06550	1.3
86.09721	2.6
91.05492	2.2
93.07040	6.7
95.08610	7.2
97.06538	2.2
97.10180	3.1
102.05548	52.3
105.07032	1.6
107.08585	2.5
109.10132	3.2
110.32676	1.2
119.08571	3.1
121.10158	3.8
127.03926	1.6
130.05003	81.3
133.10085	1.7
135.11693	2.7
136.88651	1.3
148.06050	83.7
162.21219	1.3
163.03928	2.6
184.07352	6.8
212.63420	1.3
235.20541	2.4
292.72244	1.5
320.50394	1.3
354.26337	1.9
364.24875	5.2
382.25891	22.0
400.26929	90.6
401.27313	3.3
418.28085	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	580.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54470	0.6
53.03941	2.1
55.01870	0.9
55.05286	0.8
55.05515	7.7
57.03431	2.7
57.07067	1.3
61.02914	2.7
62.21622	0.7
65.03938	1.2
67.05157	1.3
67.05504	18.7
69.03433	8.4
69.07075	7.0
69.69877	2.4
71.04996	0.9
73.02910	1.4
77.03895	0.8
79.05496	11.4
81.03433	3.7
81.07057	44.0
83.08643	3.2
85.02908	30.0
87.04456	1.3
89.04060	0.6
91.03971	1.0
91.05479	17.1
93.07047	27.1
95.04983	3.6
95.08607	52.9
97.02904	8.0
97.06523	1.5
97.10167	1.8
98.22704	0.7
98.27595	0.6
99.04453	1.8
100.11282	1.4
105.04520	1.5
105.07031	51.7
107.08596	51.4
109.02876	3.2
109.06565	1.4
109.10157	42.5
111.11709	1.2
116.06141	0.6
117.07014	1.7
119.08584	37.4
121.06490	0.8
121.10143	16.3
123.08038	1.3
123.11705	7.6
126.03146	0.6
127.03917	7.3
131.08572	1.9
133.10126	21.8
135.11699	12.5
137.13232	1.1
145.04962	12.6
145.10100	2.1
147.11682	41.9
149.13239	2.0
151.11183	1.9
159.11688	2.7
161.13248	15.6
163.03909	2.4
163.06006	5.5
163.14813	9.5
165.12766	0.7
167.07068	0.8
173.13263	0.6
175.14842	7.8
185.13228	0.7
189.16411	0.7
201.16428	1.6
203.17952	100.0
204.18277	2.4
207.06496	3.0
221.18997	7.8
325.11118	1.0
328.76111	0.9
347.21945	1.0
365.23132	2.2
372.73221	0.7
383.24026	0.8
508.35446	0.7
580.43909	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01850	2.4
55.05513	16.0
55.52568	1.7
65.03951	2.3
67.05157	4.0
67.05508	73.0
69.03441	6.6
69.07063	15.0
71.04991	7.4
71.46265	2.5
79.05490	19.7
81.03426	4.3
81.07059	100.0
83.05007	2.7
83.08618	15.0
85.02901	12.3
85.06555	6.1
87.00840	5.5
91.05498	12.2
93.07050	21.2
95.05000	2.7
95.08608	95.8
97.02907	4.7
97.06519	4.6
97.10192	10.3
99.08105	4.4
101.95715	1.9
105.01854	10.3
105.07036	12.4
107.08593	15.3
108.59087	2.5
109.02904	4.2
109.10163	51.9
111.08085	1.9
111.11734	2.1
117.07010	2.4
119.08569	9.3
121.10151	19.8
123.08034	3.1
123.11702	24.3
124.12005	1.9
127.03920	9.3
131.08542	7.8
133.10127	8.1
135.08072	2.7
135.11696	11.7
137.09650	2.3
137.13254	10.9
145.04939	4.7
145.10144	6.3
147.11705	11.5
149.13271	4.6
151.11172	3.6
151.14857	4.2
159.11702	5.0
161.13271	12.7
163.14815	2.5
165.12753	9.4
173.13228	3.1
179.14345	12.3
183.13821	2.0
184.07314	6.6
189.03783	1.9
195.13850	2.3
197.15402	2.5
210.14848	2.4
223.16931	3.8
231.05034	2.6
243.21136	11.2
249.05963	3.0
261.22174	23.1
279.23193	70.9
280.23495	3.0
286.10388	2.1
297.24240	6.4
344.05850	1.9
369.24332	3.3
387.25259	5.2
421.28949	2.4
491.26367	3.7
509.27048	2.1
580.26996	2.4
580.44489	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01875	6.7
55.05510	20.9
55.44893	1.7
57.03427	7.1
57.07073	2.3
61.02927	3.3
67.05501	28.1
69.03423	5.1
69.07074	15.4
71.04990	5.7
73.02929	3.2
79.05499	30.8
81.03428	11.8
81.07056	53.1
83.04993	9.2
83.08617	16.9
85.02912	6.4
85.06567	2.9
86.09671	2.3
91.03935	2.6
91.05473	20.7
93.07038	25.9
95.04974	14.3
95.08591	12.5
97.02897	2.2
97.06525	12.2
97.10178	16.1
99.04480	2.6
99.08097	4.5
100.11269	8.8
105.07015	14.4
107.04957	6.2
107.08591	18.3
107.50047	2.0
109.06538	7.4
109.10163	8.7
111.04440	9.4
111.08089	5.4
113.06004	3.6
117.07008	9.2
119.08586	15.5
120.27175	2.1
121.06513	8.5
121.10165	11.2
123.08076	16.3
125.09624	17.3
129.06999	5.4
131.08565	11.1
133.06456	3.6
133.10123	9.3
135.08002	10.3
135.11656	6.0
137.09613	5.7
143.08559	3.2
145.10110	10.2
147.08040	9.4
147.11697	6.1
149.09598	5.4
149.13171	4.2
153.09131	3.5
153.12798	2.7
157.10126	4.7
159.11690	5.7
161.09630	4.9
163.03882	4.3
163.11145	12.6
165.09122	3.5
171.11679	3.6
173.09673	3.1
175.11165	4.3
179.10681	2.2
181.12234	5.1
182.15379	6.3
184.07365	8.3
184.17041	2.4
189.11221	16.2
191.10628	4.8
193.12257	6.3
201.12619	2.7
210.14894	6.3
223.13345	3.7
227.12808	11.6
245.19205	3.2
255.17493	3.2
267.16034	2.9
269.17639	3.4
273.18491	26.8
273.53949	2.5
283.15396	2.9
291.19537	69.5
309.20547	9.8
347.22180	8.0
365.23230	100.0
366.23569	3.2
377.10672	2.5
377.19211	2.1
383.24237	55.8
537.40033	14.3
545.29395	2.7
577.99231	2.2
580.43866	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	580.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
54.82668	1.5
55.01881	2.8
55.05510	13.8
57.03431	5.9
61.02918	2.1
63.04657	1.5
67.05509	19.3
69.03429	2.3
69.07060	10.3
70.06606	1.6
70.38499	4.3
71.04979	2.1
79.05497	15.7
81.03397	3.0
81.07054	35.8
83.04964	6.2
83.08627	11.2
85.02896	5.4
91.05486	10.0
93.07037	16.5
95.04967	9.6
95.08587	7.9
97.02844	1.8
97.06544	3.9
97.10155	16.9
105.07014	9.0
107.04955	5.4
107.08598	10.1
109.06520	3.8
109.10159	8.0
111.04439	4.8
111.08086	4.6
117.07016	6.0
119.08579	10.2
121.06512	3.1
121.10148	7.8
123.08064	13.5
125.09628	15.7
128.06239	1.7
131.08563	5.9
133.10112	6.5
135.08035	6.5
135.11664	4.2
137.08553	1.5
137.09604	5.2
139.11203	1.7
145.10118	6.6
147.08035	5.9
147.11699	3.3
149.09636	1.9
153.12714	3.3
157.10089	2.9
159.11674	3.1
161.09560	2.0
163.11206	11.0
165.09120	2.3
173.09669	1.7
175.11223	2.9
181.12148	2.4
184.07330	9.7
189.11217	10.1
191.10741	1.6
193.12158	3.6
200.13298	1.5
223.13350	3.0
227.12788	6.0
234.93855	1.5
245.19066	1.9
247.73505	1.8
263.20004	2.2
273.18442	15.3
273.97501	2.0
291.19513	40.5
292.20053	1.6
309.20560	7.0
347.22153	3.7
365.23233	50.6
383.24261	100.0
384.24591	2.5
443.95300	1.7
545.29053	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	581.1506
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01851	1.0
56.25114	0.5
57.03437	8.4
61.02938	2.9
64.03171	0.5
68.99796	0.8
69.03431	3.1
70.06567	1.0
71.01332	1.1
73.02917	18.6
74.03160	0.5
81.03403	1.1
85.02911	4.0
91.05469	0.8
91.88945	0.4
97.02889	2.3
103.03939	1.0
109.02850	1.9
115.03895	1.7
121.02864	2.1
123.04404	0.6
127.03880	1.3
135.04436	2.9
137.02376	4.8
137.03372	0.8
139.03899	0.5
141.01810	0.7
147.04401	1.4
149.02332	1.9
159.04335	0.6
161.02324	2.4
161.05893	0.5
161.65907	0.4
163.03882	3.0
165.01833	9.2
167.03406	3.4
175.03917	0.5
177.01826	1.4
177.05417	0.5
179.03400	1.4
181.04901	1.1
183.02914	3.4
186.03236	0.4
187.03905	0.8
191.03363	1.1
192.03831	0.6
195.02878	2.7
203.03378	0.8
227.07019	0.4
231.06522	0.5
233.33540	0.4
243.02856	1.5
245.04463	1.2
255.06480	2.0
261.03735	0.6
271.05939	1.2
272.06757	0.6
283.06030	10.5
284.06537	0.6
286.04697	4.3
287.05502	6.4
295.06027	1.2
297.07556	6.9
299.05490	81.9
300.06204	13.2
301.06866	0.7
307.06064	0.7
309.07623	0.8
311.05466	11.6
311.09067	2.4
313.03613	0.9
313.07001	2.3
321.07535	2.6
323.05527	1.9
324.06287	2.1
325.03568	1.3
325.07040	21.9
326.07443	0.6
327.05093	1.1
329.06543	100.0
330.06876	3.7
337.07080	1.8
339.05209	0.8
339.08630	14.8
340.09048	0.6
341.06711	0.7
349.07019	4.1
353.06540	40.8
354.07043	1.3
365.06512	9.9
367.08243	2.5
377.06497	6.8
383.07623	25.3
384.07819	1.0
395.07596	16.6
396.07379	0.5
406.92715	0.5
413.08670	20.8
414.09085	0.9
431.09732	49.3
432.10199	2.2
449.10782	34.5
450.11246	0.8
461.10461	0.5
521.91241	0.5
545.12463	1.1
547.11786	0.5
564.14709	1.0
581.15900	2.3
582.15295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1504
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
55.01854	1.2
57.03434	3.3
61.02936	3.4
69.03393	1.7
69.25294	2.5
69.37828	0.6
70.06551	1.1
71.01340	0.8
73.02920	18.8
74.98916	0.6
78.75769	0.6
81.03423	0.7
85.02911	3.3
97.02863	1.7
103.03917	1.4
109.02870	1.4
115.03909	1.8
121.02811	0.9
127.03819	0.6
134.87062	0.6
135.04349	1.8
137.02354	3.3
149.02298	1.4
157.04861	0.9
161.02287	1.6
163.03899	1.9
165.01845	5.5
167.03387	2.9
177.01765	1.6
177.05412	1.0
183.02847	1.9
186.03043	0.6
187.03979	0.7
195.02873	2.3
216.03943	0.6
245.04491	1.0
247.02361	0.6
251.91808	0.6
253.51801	0.6
255.06619	0.8
283.06009	8.2
286.04678	3.2
287.05469	7.1
297.07596	7.0
299.05502	82.1
300.06235	10.6
301.07007	1.5
311.05563	10.8
311.09021	1.2
312.71567	0.7
313.07104	2.3
321.07556	1.1
323.05411	1.7
324.06177	1.5
325.03378	1.1
325.07053	21.4
329.06555	100.0
330.06879	2.2
337.07114	1.9
339.04962	0.7
339.08618	12.9
349.07077	3.7
353.06549	38.8
354.06857	0.9
365.06555	9.7
367.07944	2.2
377.06564	6.6
383.07596	20.4
384.07788	0.7
395.07620	16.1
413.08670	17.2
431.09747	50.3
432.10123	1.6
449.10791	41.3
450.11151	1.2
581.15082	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	581.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31836	0.2
60.08141	0.4
64.50253	0.3
65.33372	0.3
67.05508	0.4
71.46337	0.3
78.32845	0.3
80.44263	0.3
81.07054	0.5
83.01096	1.7
84.91194	0.3
86.09697	0.8
93.07059	0.3
93.47333	0.2
95.08608	0.3
102.06941	0.3
104.10743	6.1
105.11073	0.7
109.06491	0.3
111.04195	2.0
112.04994	0.7
119.08559	0.5
121.10166	0.4
127.03673	1.5
131.08548	0.4
133.10144	0.6
139.07310	0.4
141.05173	0.3
142.05992	0.5
143.59924	0.3
155.06805	2.5
169.10207	0.4
171.06329	1.9
176.86707	0.3
183.09929	0.6
199.09488	0.9
200.10167	0.4
212.15152	0.3
215.08865	0.4
219.11600	0.3
243.12125	0.9
259.11420	0.5
271.15189	0.5
331.17313	0.9
347.16827	0.7
398.67194	0.3
469.24323	0.7
509.27411	0.8
581.36566	100.0
582.36945	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	582.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46758	7.8
69.47153	11.9
70.06597	4.5
73.02924	6.7
79.05549	3.1
85.02924	8.7
106.04003	3.4
107.04980	6.7
121.02858	39.2
137.05965	8.7
145.02866	5.5
147.04439	5.1
162.03157	7.7
163.03844	4.9
239.03207	3.4
253.08932	12.3
257.04489	3.4
262.23987	3.7
270.11130	6.3
296.05634	4.3
300.06052	4.1
301.08380	3.2
301.28729	3.0
329.07297	3.1
330.06912	3.7
333.07648	4.6
335.05280	4.0
344.06653	5.0
345.07590	11.1
346.08249	3.6
354.29904	3.5
357.07462	4.8
358.07962	5.2
359.08807	5.7
363.08405	4.5
375.08804	5.6
383.09183	4.5
386.10168	9.1
387.08633	11.4
389.06375	7.1
397.10522	3.9
400.08569	4.5
401.09070	10.1
403.08047	10.2
414.09756	43.8
416.11209	15.1
432.10513	7.9
432.16498	4.7
433.09058	7.4
440.11343	8.1
444.10846	78.9
454.12784	6.7
462.11819	9.3
468.10880	23.2
482.12680	6.3
486.11667	9.9
492.10590	6.7
498.11908	9.8
510.11905	6.2
516.12836	4.7
528.13110	19.9
546.14044	34.7
564.14850	100.0
565.15784	5.7
582.15698	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18073	0.4
53.03945	1.0
55.01876	3.0
55.29771	0.5
55.98572	0.4
56.53820	0.4
65.03930	3.0
65.11991	0.4
67.05487	0.8
69.78323	0.8
75.04485	3.3
77.03911	1.1
78.04704	3.1
79.05486	1.8
81.03441	0.5
84.98309	0.4
85.02882	2.2
88.74061	0.4
89.03913	1.3
89.06039	0.8
91.05487	13.5
91.31423	0.4
93.03411	11.8
93.07055	5.8
95.04968	6.9
97.06524	2.5
99.76357	0.4
103.05477	5.4
105.03410	0.7
105.04510	1.9
105.07033	1.5
106.04174	31.0
107.04953	1.4
108.05730	0.8
109.06491	0.8
111.04462	0.6
115.05467	0.8
117.03376	0.8
119.04956	1.5
121.06511	27.8
122.03638	0.5
122.06760	0.5
123.04428	1.5
123.08055	1.1
124.05255	1.1
125.05992	6.7
131.04941	1.4
133.06461	0.7
134.03630	3.9
135.08064	0.7
137.05992	4.3
138.06760	1.4
139.07559	2.6
145.02864	1.3
147.04424	2.9
148.05212	2.0
149.05983	43.6
151.07544	2.3
153.05453	1.6
153.07863	0.6
153.09094	10.9
161.06055	0.9
163.07526	2.3
166.06273	1.3
167.07053	1.8
176.04564	0.7
177.05470	21.5
178.05737	0.5
180.07816	0.5
181.08598	20.0
190.00899	0.7
191.07053	3.5
193.08633	0.7
209.08095	100.0
210.08424	1.9
223.04254	5.5
251.09177	6.6
312.09149	1.0
369.13254	1.4
401.15894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22958	0.5
55.01656	0.6
55.01874	6.4
55.05507	0.7
65.03929	0.8
67.05504	0.6
69.36665	2.1
69.37067	1.0
70.96066	0.5
75.04458	0.7
75.57976	0.5
77.03916	0.9
78.04708	0.6
79.05484	1.8
83.08618	0.6
89.03904	1.3
90.71962	0.5
91.05479	8.3
93.03397	2.3
93.07046	10.2
95.04971	3.3
97.06551	0.6
98.23431	1.1
100.11230	1.3
103.05460	9.0
105.04498	1.4
105.07017	1.3
106.04174	6.0
107.04949	1.9
111.04424	0.6
117.03345	1.4
118.04113	0.8
119.04955	1.3
121.06505	22.2
123.08093	0.5
124.05181	0.5
125.05977	1.8
130.04092	0.5
131.04974	4.0
131.05902	1.1
133.06450	0.8
134.03624	4.4
135.04370	0.6
137.05914	0.8
145.02837	3.1
147.04414	1.4
148.05203	4.2
149.05977	41.4
151.02165	0.6
151.07495	0.6
153.05461	1.9
153.09114	2.1
159.04401	0.7
161.05933	1.2
162.01295	1.0
163.03899	1.8
163.07555	1.9
166.06262	1.0
167.07025	3.6
176.04668	1.9
177.05463	19.6
180.07805	0.9
181.08594	26.7
182.15367	0.8
190.00871	0.8
191.07030	16.2
192.07738	1.0
193.08607	1.3
195.06552	0.7
207.06671	0.8
207.08627	0.5
208.01813	0.8
209.08081	100.0
210.08513	1.4
210.15045	0.8
216.23152	0.5
223.04254	8.8
240.54599	0.5
251.09151	63.0
292.45016	0.5
312.09067	1.1
355.15518	0.6
411.14365	0.8
566.42786	0.5
581.43951	0.7
583.26984	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63858	0.4
55.01887	0.7
57.03440	7.0
59.08815	0.5
61.02921	1.9
61.32119	0.4
65.03927	1.0
69.03429	5.4
70.03774	1.1
71.01343	1.3
73.02920	13.4
77.74284	0.5
79.05504	1.2
81.03384	1.8
85.02911	7.4
91.05479	16.4
93.07039	1.2
95.04982	0.7
97.02900	6.5
98.23380	0.6
99.04437	0.7
102.95506	0.5
105.06995	0.5
107.04955	51.9
108.05295	1.0
109.02878	0.7
109.06509	1.0
115.03925	3.8
119.04945	13.1
120.05743	0.6
121.02872	2.1
121.06500	0.8
122.11982	0.4
123.04451	1.6
127.03900	1.4
129.36290	0.4
131.04922	1.3
133.04997	0.6
135.04419	19.8
136.04958	0.6
137.05978	100.0
138.06303	1.8
145.04904	0.6
147.04424	2.0
149.05991	1.7
162.05513	0.6
164.07079	5.3
165.05470	1.2
177.05534	1.2
179.07027	0.9
179.08485	0.7
188.61868	0.5
241.08661	1.0
253.08597	16.0
254.09048	1.0
270.11246	22.9
271.09613	13.3
271.12234	0.9
279.08676	0.6
288.12317	12.1
295.09641	2.5
312.12097	0.6
313.10739	1.2
330.13300	0.5
384.14151	0.8
385.12601	3.1
397.12866	1.0
402.15555	2.0
415.13879	5.0
420.16626	1.4
432.16721	1.1
445.15417	0.6
450.17606	54.5
451.18030	2.2
546.19702	1.2
564.20850	7.5
582.21851	38.7
583.21759	2.7
596.11444	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.2
57.03455	1.2
58.91579	1.0
60.08168	1.6
61.00333	1.1
67.05507	5.7
69.07067	5.8
69.40439	5.9
70.06589	5.4
72.39802	1.1
79.05490	4.1
81.07046	7.5
83.08616	3.5
85.02895	1.7
86.09704	7.2
89.03920	8.1
93.07060	3.1
95.08611	7.1
97.10171	2.2
104.10706	1.9
107.04946	3.4
107.08577	1.4
109.10162	6.7
117.03378	10.0
120.77950	1.2
123.11780	1.6
124.99993	4.0
133.06459	1.4
133.10141	2.0
135.04413	22.5
135.93901	1.0
137.13307	1.2
145.02856	17.3
147.11682	1.2
163.03902	100.0
164.04153	2.9
184.07339	16.0
224.23773	1.6
235.20473	1.6
252.20740	2.4
252.23209	31.0
253.23589	1.5
270.24243	13.8
288.25327	2.5
295.04492	2.4
312.25381	1.7
350.37708	1.1
402.24872	15.8
403.25275	1.5
420.25894	56.2
421.26044	3.5
508.58505	1.2
564.27588	3.9
582.20636	2.2
582.28870	24.8
583.27686	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	582.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83428	2.5
55.01870	5.7
55.05501	2.5
57.03431	3.5
61.02936	6.1
67.05505	3.7
67.82072	2.1
69.03441	34.5
69.07060	2.8
69.12368	4.7
69.12777	11.4
71.04993	7.9
73.02907	6.8
79.05501	4.1
79.85294	2.4
81.03418	20.1
81.07062	12.8
82.00431	2.2
83.08622	5.3
83.22702	2.1
85.02908	100.0
85.06558	13.3
87.00834	36.3
91.03944	2.4
91.05484	6.5
93.07036	8.1
95.05005	2.1
95.08607	11.7
97.02898	33.7
99.04449	14.8
105.01148	3.2
105.01870	67.1
105.07050	7.9
107.08600	6.7
109.02884	31.4
109.10183	4.9
115.03912	2.4
117.01912	2.5
117.07018	3.9
119.08588	5.3
121.10114	5.0
127.03923	70.6
131.08591	7.0
133.10112	7.3
135.11678	3.6
137.05939	3.4
143.08563	3.7
145.04955	28.1
145.10101	5.5
147.11668	5.4
149.13263	13.7
151.11188	2.9
159.02878	17.2
159.11710	15.5
161.13275	14.1
171.11725	5.5
173.13268	6.5
175.14818	10.5
183.11871	3.0
185.13229	3.8
189.04021	4.1
197.13412	3.1
199.14819	4.4
213.04091	3.4
217.16010	3.5
225.16316	4.1
229.19531	3.7
231.05042	30.0
249.06088	9.6
255.21060	3.2
281.22644	26.0
287.86499	3.0
299.23734	65.3
299.34427	2.4
317.24875	14.2
609.40424	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.5
57.76397	0.6
58.61728	0.5
65.03939	3.0
67.05506	1.6
71.01363	0.8
77.03938	1.2
79.05484	3.9
81.03440	1.8
81.07068	0.7
85.02934	1.0
91.05489	2.6
93.03370	0.7
94.04203	1.6
95.04970	3.6
97.06570	0.7
98.22720	2.0
100.11313	0.7
103.05469	15.9
105.03407	1.3
105.04536	0.8
105.07043	1.9
107.04961	3.3
108.02104	1.6
109.06538	1.6
111.04472	1.0
115.05459	3.6
117.07024	3.5
118.04115	3.4
119.04945	1.7
121.06506	1.8
122.03645	3.2
123.04444	1.8
124.05217	1.0
125.05992	2.3
129.06981	1.5
131.04922	22.6
131.05894	1.1
132.05817	0.7
133.02879	1.7
133.06502	2.7
134.03517	0.6
135.04425	2.0
135.08072	1.3
137.05978	48.2
138.06313	1.0
141.05476	2.0
143.04915	1.5
144.05774	0.9
145.06496	4.5
146.03661	0.9
147.04416	1.3
147.08025	1.4
148.05188	7.4
149.05995	2.5
150.06808	0.6
151.03908	100.0
151.05005	8.7
152.04279	1.7
153.05475	3.5
157.06488	1.6
160.05200	1.6
161.05942	2.9
163.07541	17.0
165.05481	3.6
167.07034	9.3
171.04427	1.2
173.06012	3.5
175.07542	5.9
176.04668	2.0
176.06050	0.6
177.05464	2.6
177.09117	0.9
178.06259	1.8
179.07060	1.1
179.08517	0.9
181.04958	16.3
181.06561	0.8
182.15308	0.6
184.07310	1.4
187.07530	2.2
189.05467	1.7
189.09038	1.4
190.06332	0.8
191.07027	84.7
192.07436	2.3
193.04959	1.1
193.08569	2.4
195.06506	2.2
196.07253	1.2
203.06981	2.5
205.06679	0.9
205.08612	2.6
207.08206	1.0
207.10226	1.6
209.08075	4.0
211.07672	0.7
217.08643	1.8
219.10081	2.3
221.07965	1.0
223.09630	0.8
227.07045	0.7
229.33101	0.7
231.06514	1.0
233.08084	4.4
234.06760	0.8
235.07547	0.7
235.09641	3.7
237.09056	1.2
249.09016	1.6
263.09207	11.4
265.08533	1.9
267.10175	1.4
269.07959	0.7
277.08527	2.0
279.09793	0.6
292.07059	0.7
293.08087	1.2
295.09567	2.0
307.09671	1.4
309.11169	1.6
325.10562	2.1
327.12241	3.0
329.13730	1.6
337.10696	2.4
339.12061	1.1
341.13370	0.8
351.11923	0.8
355.07758	0.7
355.11838	8.6
357.13223	1.6
359.14743	1.3
369.13220	2.4
387.09625	1.2
387.14346	18.1
388.14584	1.4
583.27393	11.7
583.37067	0.8
584.27264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69502	0.4
57.04119	0.3
69.87179	0.9
82.56454	0.4
93.24763	0.3
119.00910	0.3
157.04720	0.5
179.77130	0.3
184.03441	0.3
185.04195	2.4
201.03815	1.0
215.16429	0.4
218.70906	0.4
259.08060	0.4
275.07339	0.8
299.23721	0.4
301.08960	0.4
331.10065	3.6
345.11777	0.6
354.26019	0.4
373.14825	0.9
386.99838	0.3
387.16312	2.8
397.11783	0.4
421.22162	1.2
445.20023	0.4
455.18826	0.3
457.20493	2.4
469.20578	0.7
485.20218	1.6
486.20239	0.6
497.19894	1.4
513.19653	0.4
514.20581	0.7
545.42206	0.3
583.27179	100.0
584.27643	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87674	1.1
67.05497	1.4
75.19755	1.1
84.60764	1.1
86.02358	1.0
86.09715	2.4
89.04530	1.3
97.78262	1.1
101.60513	1.2
101.95220	1.0
124.19333	1.1
125.00057	1.0
184.07361	4.9
194.99646	1.2
242.51251	1.5
259.08075	1.8
335.18323	1.6
373.13483	1.2
497.23599	18.0
583.27222	100.0
584.27594	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.273
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46230	0.2
57.16805	0.2
60.11998	0.2
65.17444	0.2
67.05516	0.3
67.62436	0.2
70.58434	0.3
70.58778	0.4
81.07067	0.6
83.01105	0.4
83.08589	0.2
84.01894	0.5
85.02903	0.4
90.44044	0.2
91.05518	0.4
95.01092	0.5
95.08642	0.7
105.01890	0.3
105.07059	0.4
109.10114	0.3
119.08551	0.4
124.99993	0.3
132.68312	0.2
133.10127	0.8
145.10103	0.4
149.13205	0.4
151.11307	0.4
155.72650	0.2
156.03889	0.5
157.04674	0.3
173.13354	0.4
184.03477	0.6
185.04245	0.9
201.03772	0.9
203.05289	1.6
241.06987	0.3
246.44656	0.2
259.07867	1.7
283.24283	0.9
301.25232	0.4
319.61014	0.3
331.10013	2.2
347.18115	0.3
373.14432	0.4
374.64102	0.2
387.16193	2.7
401.17853	0.3
421.21973	0.8
445.20395	0.3
457.20447	2.4
469.20709	0.7
485.19897	2.0
486.20715	0.6
497.20007	1.9
513.19330	1.2
514.20361	0.7
583.27252	100.0
584.27655	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	583.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29502	0.6
57.40453	0.7
69.14996	4.2
73.86031	0.6
80.08145	0.6
137.66768	0.6
203.05269	0.7
206.28008	0.6
228.23186	1.0
259.07932	1.1
270.79007	0.6
274.27505	1.4
341.29633	0.6
421.25803	2.9
427.19394	1.3
441.20844	3.0
483.22861	0.7
499.21570	9.4
508.01028	0.7
566.00525	0.6
583.30878	100.0
584.31219	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	19.1
57.07075	20.2
65.03933	4.9
67.05490	24.8
69.03419	10.3
69.07076	22.5
69.45457	22.2
69.91121	4.9
72.76933	5.5
76.02169	4.7
79.05479	31.8
81.07053	39.0
83.04996	6.9
83.08643	9.4
85.06544	6.1
91.05467	49.4
91.05891	4.8
93.07056	64.7
95.04980	18.9
95.08604	34.6
97.06552	10.3
103.05465	7.0
105.07025	92.6
107.08607	60.3
109.06539	10.1
109.10179	25.9
114.60401	4.9
115.05472	7.7
117.07030	21.1
119.08582	100.0
121.06522	6.7
121.10147	54.2
123.08088	15.7
123.11704	11.5
128.06247	21.2
129.07030	21.2
130.07759	8.2
131.08585	41.7
131.49596	5.0
133.10159	47.7
135.08118	14.2
135.11743	16.4
137.09592	12.8
141.06969	11.0
142.07802	30.8
142.37175	5.3
143.08572	60.6
144.09360	10.7
145.10117	64.5
147.08060	19.2
147.11746	19.6
151.07523	11.6
154.07849	7.8
155.08537	27.4
156.09373	20.1
157.10149	67.8
158.10921	12.2
159.11731	38.2
161.09697	5.1
161.13264	14.9
163.11201	12.7
165.07004	10.3
165.09077	34.9
165.39412	5.9
167.08595	13.1
167.10704	17.3
168.09355	8.1
169.10124	35.5
170.10922	10.0
171.11691	37.7
173.13248	35.3
175.11223	7.4
175.14796	11.1
179.08556	24.0
180.09387	9.7
181.10158	22.2
181.12202	8.0
182.10925	14.0
183.11661	35.2
185.13293	16.4
187.14819	6.6
189.12871	6.5
191.14299	7.4
192.09358	9.8
193.10168	20.9
194.10846	14.5
195.11667	27.4
196.12416	7.5
197.13292	28.6
199.14859	20.2
203.14281	9.1
206.10991	11.3
207.11746	24.8
207.13716	8.0
208.12544	10.3
209.13226	40.3
210.14018	5.8
211.14868	13.1
213.12683	7.2
217.10132	6.6
217.15945	17.7
219.11720	16.2
221.13240	24.1
221.15416	48.4
223.14905	19.4
231.11726	7.9
233.13283	12.0
233.15308	8.0
234.14029	8.7
235.14828	12.0
237.16377	7.8
239.18056	8.4
245.13248	9.7
246.14079	11.4
247.14841	22.0
249.16483	6.6
251.17923	6.1
253.19463	5.7
257.12933	6.3
257.18964	12.1
260.15622	6.6
261.16476	11.4
263.17944	10.0
265.19583	9.7
275.17767	13.5
277.19382	7.3
283.20560	18.3
289.19739	8.6
295.20428	9.4
303.20782	6.6
331.24246	7.4
375.26801	7.2
491.35153	9.1
565.40222	18.1
583.41443	82.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
55.05508	10.8
57.07071	9.2
59.04999	2.5
61.87811	2.3
67.05503	15.3
69.03436	4.3
69.07080	14.1
79.05495	16.8
81.07059	23.5
83.04972	6.1
83.08614	9.1
85.06570	4.8
91.05474	28.0
93.07049	38.7
93.07605	3.5
95.04975	9.3
95.08609	29.0
97.06540	4.6
97.10167	2.8
99.05582	3.5
100.11209	4.7
103.05449	3.2
105.07033	48.0
107.08594	34.9
109.06533	5.7
109.10150	16.8
111.08080	3.1
115.05497	2.8
117.07018	10.1
119.08585	58.3
119.09422	3.6
121.06496	2.5
121.09293	2.4
121.10148	34.4
123.08099	10.8
123.11721	4.7
125.05985	3.3
128.06258	7.9
129.07011	11.9
130.07759	2.5
131.08574	27.9
133.10121	31.3
135.08067	7.7
135.11716	12.2
137.09601	5.8
141.07027	5.9
142.07803	15.2
143.08585	27.9
143.09610	3.1
144.09363	5.5
145.10127	33.8
147.08055	9.1
147.11650	11.0
149.09624	3.7
149.13232	3.4
151.07515	9.5
153.07024	4.2
155.08533	12.4
156.09325	9.4
157.10132	39.5
158.10886	4.5
159.08076	3.2
159.11679	19.1
161.09656	5.2
161.13315	7.0
163.11232	6.2
165.07001	5.5
165.09138	17.1
167.08641	5.5
167.10751	8.7
168.09381	5.9
169.10147	22.2
170.10918	3.4
171.11710	30.1
172.12469	2.4
173.09613	3.1
173.13237	21.7
175.11246	3.2
175.14890	8.0
179.08571	7.7
180.09355	5.3
181.10149	12.9
181.12248	8.6
182.10956	7.5
183.11697	23.0
184.12505	5.9
185.09686	3.8
185.13257	13.6
187.14851	7.3
189.12788	6.6
189.16374	2.5
191.08459	2.4
191.14357	7.9
192.09450	2.8
193.10167	10.7
194.10815	10.8
195.11714	17.0
196.12488	4.0
197.13290	18.5
199.11174	2.6
199.14838	13.9
201.16469	3.1
203.06207	3.0
203.14362	8.5
205.10205	3.3
206.10982	6.5
207.11749	20.2
207.13831	5.2
208.12485	6.1
209.13293	21.2
210.13844	2.6
211.14844	11.4
213.16568	2.9
215.14467	3.1
217.15840	11.8
219.11710	5.5
220.12476	8.4
221.13269	13.2
221.15440	42.5
222.13901	4.1
222.15886	2.6
223.14746	10.4
225.16431	6.2
231.11674	3.6
233.13257	9.1
233.15341	4.4
234.14067	3.2
235.14830	9.0
237.16440	9.0
239.17986	3.7
243.11748	2.6
245.13327	6.1
247.14888	8.6
247.17067	2.7
249.16463	8.5
250.17123	2.8
251.18015	6.1
253.60573	2.0
257.19125	7.4
258.13940	2.2
259.14832	4.9
260.15549	4.8
261.16425	5.8
263.18030	6.6
265.19565	6.1
269.19055	4.4
271.14703	3.2
273.16345	2.1
275.17889	10.3
277.19412	4.3
279.20914	2.5
281.19116	2.7
283.20514	19.2
287.20285	3.9
289.19623	2.4
293.18924	2.6
295.20718	3.4
297.22086	2.8
299.18198	2.5
309.22025	2.5
315.21463	2.7
329.22665	3.9
331.20587	2.4
331.24365	8.0
333.22186	2.1
345.22156	2.7
347.24295	2.6
349.25302	7.9
361.25333	2.2
365.24292	2.2
375.26917	6.9
403.30051	6.0
491.35199	6.9
547.39551	3.1
565.40369	19.1
571.30322	2.1
583.26691	4.2
583.41492	100.0
584.41840	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	583.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	4.0
67.05504	14.2
69.07090	5.7
71.45496	4.9
79.05490	8.3
81.07050	12.3
83.08628	4.6
91.05495	11.5
93.07044	25.5
95.04962	7.8
95.08600	18.1
99.65561	4.5
102.07807	3.3
105.07034	30.5
107.04939	5.4
107.08597	14.7
109.06486	4.3
109.10130	8.7
116.81081	3.7
117.07062	8.6
119.08563	27.3
121.10119	19.7
123.08065	9.8
129.07040	5.5
131.08591	12.5
133.10181	10.6
135.08073	4.7
135.11681	5.3
137.09627	7.0
142.07753	5.9
143.08566	12.6
145.10133	17.5
145.64915	3.6
147.08047	15.4
147.11656	5.2
151.07527	16.0
157.10143	18.5
159.11736	8.2
161.87775	3.7
165.09132	22.6
169.10161	8.3
171.11714	12.1
173.13319	5.4
181.10092	6.8
182.10905	3.8
185.13271	8.1
189.12839	4.7
193.10240	3.9
195.11702	9.4
197.13321	7.7
203.14359	11.8
204.90723	4.4
209.13286	8.6
211.14897	4.8
213.16220	4.0
221.13400	5.6
221.15387	35.9
226.15823	3.8
235.14909	6.1
367.15079	4.1
403.29642	6.7
436.94327	3.9
503.34927	4.2
565.40436	24.5
583.41541	100.0
614.86072	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	583.418
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86281	0.6
64.31676	0.6
67.05534	1.0
68.10764	0.8
69.09208	4.7
79.05488	1.5
81.07059	1.5
89.06034	2.8
91.05496	1.2
93.07074	2.2
95.08595	1.5
98.98466	0.8
105.07052	1.9
107.08614	1.0
109.10182	0.9
119.08611	1.7
121.10160	0.8
131.08604	0.9
133.08588	2.0
133.10229	0.8
145.10129	1.5
151.85129	0.6
157.10052	0.8
169.10130	0.8
221.15398	1.8
371.22815	1.4
374.88171	0.7
388.39868	0.9
441.40942	0.7
488.92767	0.8
565.40112	1.0
583.41772	100.0
584.42157	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	584.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.5
59.87197	0.8
69.20129	4.4
79.05486	5.3
81.07050	1.2
85.02891	1.2
91.05490	6.7
93.03402	2.9
93.07048	3.8
95.04974	2.1
103.05468	4.9
103.86663	0.7
104.46753	0.8
105.04478	1.1
105.07037	25.4
105.07741	1.4
106.04176	5.8
107.04997	4.8
115.05443	4.1
118.04175	4.2
119.04974	1.2
121.06519	10.3
122.07339	1.7
124.05225	2.0
125.05994	2.1
131.04951	3.7
132.05737	1.2
133.06494	25.6
134.03658	1.1
134.07317	1.2
135.04398	1.7
135.08034	4.0
137.06024	4.3
143.04929	0.8
143.06061	1.3
145.02867	1.2
148.05180	1.9
149.05989	17.1
150.06770	10.8
151.07628	1.1
153.09090	4.2
161.05986	27.4
163.03952	2.2
163.07593	1.5
165.09126	11.3
166.06136	1.0
167.07062	4.0
177.05504	8.4
178.06218	1.7
181.08624	8.1
191.07013	4.5
192.07585	1.1
193.08612	100.0
194.09042	2.0
195.06563	1.7
209.08105	46.8
210.08432	4.4
211.08690	2.3
223.04201	7.0
251.09152	7.4
252.09494	2.5
253.10762	14.9
289.71518	0.8
312.08948	0.9
323.62875	0.8
584.27118	6.7
584.35199	0.8
585.28741	3.4
585.39618	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	584.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	4.7
57.03431	2.6
63.18879	1.2
67.05484	1.6
69.03427	6.2
70.06592	2.1
75.16354	1.3
78.04712	3.0
79.05497	7.7
81.03435	3.0
85.02894	16.2
85.09669	1.6
86.09709	5.3
89.03917	3.3
91.05489	8.5
95.04967	6.0
97.02885	5.5
103.05479	17.2
104.10746	4.7
105.03402	3.3
105.04559	2.5
105.07028	17.6
106.04168	16.9
107.04951	12.3
109.02879	2.0
109.06520	2.4
115.05479	4.0
117.03388	4.5
118.04134	3.4
119.04942	3.4
121.06499	11.4
123.04402	2.1
124.99935	1.6
125.05968	2.7
127.03922	3.2
131.04947	17.2
132.05717	7.1
133.06488	28.0
135.04405	10.5
137.05994	5.4
139.07515	1.6
143.06033	2.1
145.02782	1.8
145.06592	1.8
147.04396	4.4
149.05975	42.7
151.07529	3.1
159.04503	2.1
159.08034	1.7
160.05206	3.0
161.05980	48.8
163.03897	9.6
163.07570	5.2
165.05469	3.8
167.07036	27.9
171.04379	1.9
175.07655	1.8
177.05464	100.0
178.05832	1.8
179.07025	8.4
180.07677	2.5
184.07347	8.7
191.07013	11.4
192.07809	11.4
193.04967	5.6
193.08589	48.5
195.06557	15.7
203.06917	2.0
207.06471	14.3
209.08076	7.4
215.06982	5.6
217.08539	1.7
225.07581	12.0
233.08075	10.2
251.09166	3.2
263.09201	1.7
285.57837	1.5
290.07809	2.2
337.10681	8.1
357.13223	3.7
369.13239	17.3
387.14407	14.7
405.15527	3.0
439.28363	1.5
558.25488	1.6
584.17236	16.4
584.31018	1.9
585.17529	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	584.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
55.01867	4.7
57.03431	2.6
63.18879	1.2
67.05484	1.6
69.03427	6.2
70.06592	2.1
75.16354	1.3
78.04712	3.0
79.05497	7.7
81.03435	3.0
85.02894	16.2
85.09669	1.6
86.09709	5.3
89.03917	3.3
91.05489	8.5
95.04967	6.0
97.02885	5.5
103.05479	17.2
104.10746	4.7
105.03402	3.3
105.04559	2.5
105.07028	17.6
106.04168	16.9
107.04951	12.3
109.02879	2.0
109.06520	2.4
115.05479	4.0
117.03388	4.5
118.04134	3.4
119.04942	3.4
121.06499	11.4
123.04402	2.1
124.99935	1.6
125.05968	2.7
127.03922	3.2
131.04947	17.2
132.05717	7.1
133.06488	28.0
135.04405	10.5
137.05994	5.4
139.07515	1.6
143.06033	2.1
145.02782	1.8
145.06592	1.8
147.04396	4.4
149.05975	42.7
151.07529	3.1
159.04503	2.1
159.08034	1.7
160.05206	3.0
161.05980	48.8
163.03897	9.6
163.07570	5.2
165.05469	3.8
167.07036	27.9
171.04379	1.9
175.07655	1.8
177.05464	100.0
178.05832	1.8
179.07025	8.4
180.07677	2.5
184.07347	8.7
191.07013	11.4
192.07809	11.4
193.04967	5.6
193.08589	48.5
195.06557	15.7
203.06917	2.0
207.06471	14.3
209.08076	7.4
215.06982	5.6
217.08539	1.7
225.07581	12.0
233.08075	10.2
251.09166	3.2
263.09201	1.7
285.57837	1.5
290.07809	2.2
337.10681	8.1
357.13223	3.7
369.13239	17.3
387.14407	14.7
405.15527	3.0
439.28363	1.5
558.25488	1.6
584.17236	16.4
584.31018	1.9
585.17529	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	584.343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01862	0.9
55.05257	0.4
55.05505	5.2
57.03422	0.8
61.02921	0.8
65.03965	0.3
67.05501	6.8
68.99780	0.5
69.03426	3.6
69.07066	2.5
69.34661	1.5
71.04962	0.5
73.02915	1.0
74.04198	0.4
79.05492	4.8
81.03411	3.5
81.07053	15.6
81.70271	0.4
83.08624	3.8
85.02395	0.7
85.02900	11.0
87.00829	3.9
87.14344	0.4
91.05466	5.1
93.04731	0.4
93.07040	10.6
95.04925	0.4
95.08601	14.2
95.91469	0.3
97.02888	3.7
97.10163	7.0
99.04445	1.6
105.01864	4.7
105.06343	0.7
105.07027	10.3
107.07845	0.4
107.08588	9.5
108.04448	1.2
109.02872	3.7
109.10151	12.6
111.11686	0.6
115.03889	0.4
115.05495	0.4
115.20451	0.4
117.01809	0.4
117.06994	2.8
119.08583	8.8
121.09274	0.4
121.10133	8.1
123.11706	11.2
125.07063	0.4
126.05495	0.6
127.03901	7.2
129.01830	0.8
129.07011	1.1
130.07805	0.6
131.08559	7.3
132.22800	0.3
133.10129	9.1
135.11685	11.0
137.13235	1.6
143.08562	1.0
144.09317	0.6
145.04947	3.6
145.10110	10.6
147.02983	0.4
147.11681	15.0
147.12856	0.7
148.11992	0.5
149.13248	11.1
151.11153	0.7
151.14751	0.4
157.10118	1.6
158.10857	0.4
159.02881	2.6
159.11684	18.9
161.13252	17.8
163.14824	2.7
165.12756	4.8
171.11682	1.4
173.13254	12.5
174.13564	0.6
175.14824	11.7
179.18704	0.3
185.13275	2.3
186.59790	0.4
187.14809	17.6
188.15176	0.5
189.16377	1.3
191.14319	0.4
199.14786	4.2
200.15584	0.5
201.16374	10.6
202.16718	0.4
203.17981	0.4
213.03951	0.7
213.16373	2.7
215.17947	1.3
227.17917	3.8
231.04889	2.3
241.19434	1.2
248.07581	0.6
249.06180	0.4
255.21126	0.8
257.22629	12.7
272.41232	0.3
283.24185	100.0
284.24490	3.7
301.25235	22.0
302.25595	0.6
500.69077	0.4
584.26703	9.9
585.26935	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	2.0
55.01892	1.9
55.05513	3.9
67.05502	11.3
67.67594	1.7
69.03433	7.1
69.07085	8.7
79.05493	6.7
81.03434	5.2
81.07059	29.0
83.08595	3.6
84.35719	1.5
85.02899	17.9
87.00819	10.4
91.05476	12.3
91.71973	1.9
93.07066	10.8
95.08610	23.2
97.02897	7.2
97.06552	2.6
97.10193	3.7
99.04489	3.0
105.01862	18.1
105.07030	24.5
107.08601	16.3
109.02905	5.9
109.10166	14.8
111.11756	5.6
113.86546	1.7
117.07040	7.1
119.08612	12.5
121.06512	2.8
121.10152	9.2
123.11682	2.2
127.03916	12.7
129.07076	3.3
129.12770	5.7
131.08562	11.9
133.10124	59.5
134.10480	1.9
135.11705	10.1
137.09634	2.4
137.13289	2.5
143.08580	2.8
145.04973	7.5
145.10117	15.3
147.11711	15.0
149.13269	30.5
149.14453	2.6
151.11166	20.1
157.10168	5.7
159.02957	2.5
159.11679	23.2
159.12784	2.1
161.13248	11.2
161.65741	1.8
163.11296	2.7
163.14857	6.8
165.16411	4.5
167.07056	5.3
171.11742	4.8
173.13264	14.1
175.14822	4.0
184.07391	3.0
185.13260	4.5
187.14836	11.5
199.14859	5.4
201.16435	5.3
203.18100	2.2
213.16415	8.6
215.16339	3.1
215.18237	4.1
227.17882	3.6
231.05074	4.3
241.19595	4.9
249.06165	5.3
252.64032	1.7
255.21114	1.9
283.24200	86.1
284.24698	4.9
301.25259	36.5
331.10016	3.0
332.10565	1.9
388.16367	2.1
457.93854	1.9
523.29279	3.8
584.27393	100.0
585.28705	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	584.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38096	0.2
50.74809	0.2
56.05043	0.6
58.06326	0.3
58.06612	0.7
60.08163	6.0
60.41533	0.3
67.05512	0.4
69.71628	1.1
71.07374	3.4
79.05473	0.4
86.09709	29.4
93.69652	0.3
95.08580	0.3
98.98472	2.8
104.10748	4.5
125.00007	19.5
145.12236	0.3
170.45067	0.3
184.07347	100.0
185.07677	1.2
366.47647	0.3
375.73157	0.3
412.20819	2.4
466.25641	1.6
497.23584	0.7
498.24005	2.1
516.30688	0.7
534.31812	1.6
552.32928	0.6
566.34198	1.1
584.27277	11.8
584.35675	3.5
585.28369	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46154	0.7
56.05015	0.8
58.03252	0.9
69.48361	0.7
69.88576	0.8
69.88914	2.4
70.06587	7.7
72.08148	6.7
73.68089	0.7
75.44477	0.8
83.76653	0.7
84.08141	1.4
86.09692	3.5
89.03924	4.0
89.10776	3.8
91.05451	1.0
102.09193	1.1
115.08669	1.5
117.03375	12.8
119.04971	1.9
119.11790	0.9
121.02834	3.9
122.03201	1.3
134.03622	0.9
135.04446	1.0
145.02846	47.0
146.03168	0.9
147.04387	14.1
149.06009	4.4
163.03911	1.5
168.88930	0.9
169.13336	0.9
177.05466	100.0
178.05823	1.1
212.03954	0.8
213.08678	1.2
218.11771	2.9
228.76736	0.9
247.14468	5.0
248.12836	6.9
265.15475	81.9
266.15872	0.9
308.06543	0.9
324.69031	0.9
325.10666	1.6
349.06955	3.1
410.65860	0.7
485.75681	0.8
514.12079	1.8
529.59393	0.8
585.30927	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
67.94974	0.9
68.47739	0.8
69.69439	4.0
70.06593	10.5
72.08163	7.4
84.08165	2.3
85.29556	1.0
86.09717	3.6
89.03938	3.8
89.10800	4.7
96.12764	1.0
98.06040	2.0
102.09179	0.8
102.74442	0.8
115.08663	1.7
115.87089	0.8
117.03381	12.0
119.04954	2.3
121.02889	7.0
122.03178	1.3
134.03671	1.2
140.07076	0.9
145.02853	49.4
147.04424	16.3
149.05928	5.8
163.03954	1.3
177.05478	100.0
178.05841	1.6
218.11783	3.4
247.14452	4.0
248.12776	6.5
265.15485	88.5
266.15768	1.8
292.07227	1.2
327.14069	1.0
349.07062	3.0
489.13400	1.6
514.12268	2.4
585.29468	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2678
Annotation	kirkinine D
Peak:m/z	Relative Intensity
55.05519	0.7
65.60759	0.6
67.05518	1.6
69.03436	1.3
69.07047	0.6
71.47137	0.7
79.05499	0.7
81.14809	0.7
82.04327	0.7
85.02902	1.6
87.00827	0.8
91.05449	1.0
97.02917	1.0
99.04469	0.6
109.02876	0.8
109.10145	1.7
127.03910	1.2
133.81229	0.6
170.09685	0.7
285.22531	0.7
301.21445	0.9
307.56851	0.6
349.16864	2.9
373.15945	0.8
413.17740	2.2
420.96939	0.8
523.55389	0.7
585.26929	100.0
586.27411	4.7
601.34619	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20987	0.6
61.02942	1.1
67.05506	2.1
69.03423	1.7
69.07050	0.7
77.42514	0.8
78.29504	0.7
79.05475	1.1
81.07054	2.2
83.08673	0.7
85.02923	4.7
87.00836	1.5
88.72231	0.7
91.03978	0.9
91.05493	1.1
91.17636	0.6
93.07029	1.3
95.08599	1.4
96.87039	0.8
97.02914	3.5
105.01875	2.1
105.07011	1.1
107.08605	1.2
109.02882	1.2
109.10190	4.2
125.05989	1.2
127.03923	3.9
133.10071	0.8
138.96800	0.7
145.04951	1.7
147.04350	1.0
147.11690	1.2
153.77505	0.7
161.13190	0.8
173.11847	0.8
267.21619	0.7
271.85309	0.9
273.22159	1.0
285.22083	1.0
303.23386	1.2
307.25067	0.7
349.16852	3.2
413.17844	3.7
457.17334	0.9
525.16425	1.4
585.26965	100.0
586.27057	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92986	1.1
67.05489	2.2
69.03445	1.5
69.27414	6.5
76.33384	1.3
77.54855	1.1
79.05523	1.9
81.07080	2.8
85.02894	3.5
87.00842	1.5
95.08623	1.2
99.04490	1.3
104.99278	1.5
105.01878	2.6
105.07022	1.5
109.02865	1.7
109.10165	1.4
127.03919	2.8
145.10133	1.9
177.79193	1.1
183.84534	1.1
203.05193	1.5
257.22620	2.2
303.23233	3.6
331.10092	1.7
349.16943	2.1
442.21753	2.6
539.24725	3.5
585.26849	100.0
586.27002	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	585.2708
Annotation	(3Z)-Phytochromobilin
Peak:m/z	Relative Intensity
52.78733	0.4
57.07064	0.4
57.94283	0.4
60.40282	0.4
65.64381	0.3
69.26881	1.3
69.27285	0.8
81.07062	0.7
91.05475	0.5
94.06522	0.4
95.08648	0.4
98.22756	0.6
105.07056	0.7
106.06584	0.5
118.06528	0.8
119.08620	0.6
120.08132	1.5
121.10143	0.7
122.09668	0.7
133.10042	0.4
134.06136	0.5
144.07956	0.4
156.08044	0.6
158.09552	0.5
160.03630	0.4
164.07063	0.8
173.10796	1.1
181.08881	0.6
183.09192	1.5
184.10002	1.0
185.10852	0.9
195.09210	0.8
196.09917	1.1
197.10710	2.7
198.11562	1.1
199.08685	0.6
207.09200	0.6
208.09961	0.9
209.10751	2.1
210.11554	1.7
211.08823	1.0
211.12320	2.1
212.13100	1.0
213.13873	0.6
221.10757	1.7
222.11589	1.1
223.12251	2.8
224.13098	1.4
225.10269	1.1
225.13844	3.7
226.14688	1.5
227.15485	0.6
228.08990	0.6
233.10922	0.4
234.11697	0.7
235.12343	1.0
237.10327	1.6
237.13879	3.9
238.11011	0.8
238.14505	0.8
239.11850	0.6
239.15503	1.1
241.09776	1.7
247.12485	0.5
248.13066	0.5
249.10176	0.6
249.13943	1.6
251.11816	1.0
253.13356	0.7
255.11322	0.9
265.09686	0.7
265.13437	0.9
270.13785	0.7
271.14481	1.1
272.11996	0.5
275.15454	1.1
276.16086	0.7
283.10791	0.8
284.11765	0.9
286.13416	0.4
287.14145	0.6
288.11966	0.5
288.14786	0.8
289.17047	0.5
290.12881	0.5
297.12448	1.6
298.13373	0.7
299.13870	0.8
300.11734	0.4
300.15054	1.3
301.12344	0.5
301.15674	0.9
302.09259	0.5
302.13138	0.5
302.16586	0.8
304.14429	0.9
311.14191	0.7
312.14948	0.8
313.12457	0.4
314.13269	0.5
314.16663	1.2
315.13562	1.8
315.17099	0.6
316.10886	0.6
316.18140	1.2
317.11511	0.7
318.15872	0.8
328.14426	0.7
328.17990	0.8
329.11508	0.5
330.12399	1.0
330.15982	0.6
331.13220	0.5
332.13962	0.7
342.12531	0.7
344.13983	0.9
344.17776	0.5
345.14743	0.5
346.15582	0.7
358.15332	0.4
363.16003	0.6
364.17300	0.5
372.13354	0.8
376.17038	1.0
377.17496	2.1
378.18326	1.0
379.19427	0.6
388.16681	0.6
390.14752	0.5
390.19296	0.6
391.14893	0.5
391.19241	1.7
392.20053	1.3
393.20697	1.4
400.16516	0.6
402.18341	1.3
403.19666	0.6
404.15762	3.0
404.20831	0.5
405.16791	1.4
405.21072	1.2
406.16965	0.6
407.22446	1.6
408.23328	0.6
409.20453	0.5
417.17236	0.8
418.17694	1.2
419.18411	2.4
420.18954	0.7
421.24402	1.0
422.17532	0.5
423.18201	0.6
432.19577	0.8
433.20404	2.2
434.20773	5.7
435.22391	1.8
437.19891	1.7
438.20566	0.6
445.16556	0.5
448.22498	0.8
449.23508	2.4
450.20139	0.6
451.21301	1.7
452.22122	1.1
461.19632	0.6
463.25098	0.9
465.22913	1.3
466.24030	0.6
475.21295	0.9
477.19562	0.5
478.19852	0.6
479.20499	1.0
480.21548	1.3
489.22836	0.8
491.24609	5.5
493.22296	8.7
494.23257	0.9
495.27258	0.7
507.23923	1.4
509.22153	1.7
511.23520	0.8
517.22369	2.7
521.25623	1.1
523.27020	1.4
524.23883	0.7
525.24933	1.4
526.25446	0.5
535.23511	1.3
539.26923	2.4
541.28070	5.8
542.28723	0.5
549.24908	16.5
550.24921	0.7
552.23206	0.6
567.26001	100.0
568.26404	8.0
585.27179	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	585.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35250	0.3
51.97060	0.3
53.38546	0.3
68.00713	0.3
69.03411	0.4
69.67146	1.0
79.05491	0.4
81.07037	0.3
85.02905	0.5
104.10791	0.3
106.71844	0.3
107.08640	0.3
111.55955	0.3
137.05757	0.4
157.04718	0.6
160.58875	0.3
173.13058	0.3
184.03407	0.5
185.04213	2.0
194.08806	0.3
196.89713	0.3
201.03748	1.4
259.07916	1.1
275.07465	0.9
331.09961	3.5
337.24017	0.5
345.11310	0.8
358.58920	0.4
373.14767	0.9
387.16461	1.3
401.17734	1.0
423.23535	1.9
457.20456	1.2
461.20239	1.0
469.20316	0.6
487.21448	0.5
497.23029	0.5
515.20935	1.3
585.28766	100.0
586.29218	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	585.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50853	0.4
57.63895	0.3
67.05502	0.4
73.87183	0.3
83.01086	0.7
84.01892	0.8
85.02880	0.4
91.86766	0.3
95.08644	0.6
96.01877	0.5
97.02742	0.3
98.22688	0.9
105.07065	0.4
107.08567	0.4
120.54859	0.4
133.10051	0.4
147.11684	0.4
156.03958	0.7
161.70757	0.3
163.03905	0.5
177.25342	0.4
185.04306	1.0
189.05945	0.3
196.58350	0.3
201.03737	1.3
203.05322	1.3
234.24127	0.4
241.06616	0.4
259.07889	2.4
273.22324	0.4
293.86566	0.4
319.22443	0.3
331.09979	2.4
345.11664	0.8
349.19614	0.5
349.39670	0.3
364.12006	0.4
387.16208	1.0
401.17960	1.0
405.22531	0.4
423.16086	0.4
423.23541	1.5
449.02563	0.6
469.20731	0.9
497.23767	2.3
515.20660	1.0
567.27429	0.5
585.28796	100.0
586.29175	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	585.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20351	2.6
53.03954	6.9
55.05511	3.4
57.03462	2.3
67.05504	8.0
68.99797	2.4
69.03424	12.4
69.07071	5.3
71.05033	2.9
71.38250	2.6
79.05509	13.7
81.03424	16.8
81.07059	46.1
83.08626	6.2
85.02905	21.1
86.09746	3.9
87.00835	12.9
91.05495	9.2
93.07063	9.4
95.04972	4.3
95.08618	19.4
97.02908	23.1
97.06538	4.2
99.04490	5.7
105.01867	17.0
105.07043	14.3
107.08614	9.3
109.02879	14.8
109.06573	3.3
109.10164	14.5
119.08625	10.6
121.10186	5.9
123.11716	5.3
125.05981	14.6
127.03948	23.9
131.08598	4.7
133.10178	10.4
143.08609	3.1
145.05000	8.8
145.10135	13.6
147.11713	10.4
157.10121	4.3
159.11684	5.2
161.13329	3.5
171.11690	4.4
173.13289	9.4
175.11096	2.7
175.14787	4.2
177.16476	2.7
182.38884	2.5
184.07426	7.7
185.13240	5.2
187.11308	2.7
199.14961	5.7
201.12741	3.0
203.14378	9.7
213.04066	4.0
213.16498	2.8
219.13881	11.0
229.19643	4.6
231.05124	7.5
232.63135	3.4
255.21112	14.1
273.22235	9.9
283.20532	14.4
301.21600	29.9
302.22034	3.4
319.22662	4.7
323.05429	5.5
353.06705	3.6
435.14380	5.6
451.19449	4.8
461.18906	3.6
465.15671	3.0
489.15604	3.6
525.27209	5.8
531.25848	3.5
549.26855	13.2
550.27484	5.2
585.18933	6.2
585.28595	100.0
586.29419	4.4
590.55072	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	585.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	8.5
66.86691	6.0
67.05509	13.7
69.07101	9.2
69.20657	14.1
69.21070	28.1
70.10191	6.4
79.05495	9.4
81.07104	8.9
83.08607	6.6
87.38879	6.7
87.90065	6.6
91.05521	8.6
93.07078	11.3
95.05003	8.8
95.08619	9.7
105.07072	10.5
107.80502	7.5
109.10123	9.1
117.11546	7.8
119.08611	15.3
135.48062	6.3
157.10353	6.7
164.66313	7.2
384.90765	7.9
385.91907	7.8
418.72897	7.2
584.55823	22.5
585.37354	100.0
585.56049	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	585.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38906	3.5
55.05500	5.6
57.07072	5.7
60.03026	2.8
61.10680	2.6
62.52989	2.8
66.71947	2.9
67.05493	13.0
69.07066	4.7
79.05486	9.4
81.07052	9.9
83.05028	2.9
83.08599	3.1
91.05485	6.4
93.07053	6.3
94.82024	2.6
95.04960	3.7
95.08602	9.1
97.10188	3.3
97.99011	2.7
105.07043	9.5
107.04910	4.0
107.08580	4.6
109.10136	6.7
119.08616	3.5
131.08534	4.5
133.10085	3.5
145.10139	3.7
147.11722	3.8
155.08516	3.3
157.10121	2.9
166.04375	3.3
273.18472	4.0
275.20004	4.2
295.23129	2.9
298.73138	3.4
300.29117	4.2
305.98367	2.8
311.29364	6.4
341.60385	3.6
346.33939	2.7
495.87994	3.3
537.43579	3.9
567.40338	5.2
584.55865	12.2
585.37543	100.0
585.55847	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	586.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.2
65.03938	3.1
69.03425	2.3
69.63526	2.3
70.06602	1.4
75.04485	4.3
78.04697	2.9
79.05511	3.3
81.03410	1.6
85.02914	6.3
86.09734	2.6
89.03910	1.5
91.05467	14.5
93.03405	15.3
93.07034	6.9
95.04942	7.2
97.06532	2.4
103.05467	14.7
104.10776	1.3
105.04503	2.8
105.07008	2.6
106.03450	1.5
106.04172	31.5
107.04951	1.6
109.06598	1.2
115.05466	1.9
115.14209	1.1
116.32222	1.2
116.38106	1.1
117.03367	1.6
119.04958	3.1
121.06506	36.6
121.96977	1.3
122.03635	1.3
123.04444	1.5
125.05992	7.0
127.04002	1.7
131.04929	16.9
133.06506	2.3
134.03603	6.0
135.07956	1.5
136.89803	1.4
137.05963	31.2
138.06703	1.7
139.07510	1.3
147.04428	2.7
148.05180	2.4
149.05975	55.7
151.07512	3.0
153.05486	2.3
153.09103	13.6
161.05980	4.4
163.07539	31.3
163.08885	1.8
165.09119	2.5
166.06207	1.8
167.06906	1.8
174.80339	1.1
175.07507	1.6
177.05458	30.2
179.06987	4.8
179.08437	1.1
181.08594	17.8
181.10075	1.3
184.07356	2.1
191.07016	2.3
193.08630	3.9
195.94305	1.2
205.08617	1.8
209.08081	100.0
339.12201	3.5
345.13306	2.6
371.14746	2.2
373.16449	5.4
427.54486	1.2
457.62201	1.2
502.32239	1.2
586.29230	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	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
54.65497	0.5
55.01861	1.5
61.02888	0.7
65.03940	2.6
69.30018	2.9
70.06573	1.1
73.56622	0.6
75.04485	3.3
77.03927	1.1
78.04699	2.1
79.05473	1.8
85.02904	3.5
86.09697	0.9
89.03888	0.7
89.06023	0.8
90.35487	0.6
91.05476	11.1
93.03410	11.5
93.07043	4.6
95.04979	4.7
97.02853	0.8
97.06519	2.3
103.05467	5.2
105.04499	1.3
105.07030	5.6
106.04178	26.3
107.04996	0.9
115.05450	0.7
117.03322	1.1
119.04948	2.2
121.06506	28.8
123.04429	0.7
123.08002	0.7
125.06006	8.5
131.04935	2.6
131.05956	1.0
133.02841	3.5
133.06480	4.0
134.03662	3.5
137.05981	7.2
139.07518	2.2
147.04422	2.6
148.05180	2.6
149.05981	46.2
151.07581	1.7
152.08324	0.8
153.05461	1.8
153.09111	14.2
161.05977	8.9
163.07585	4.4
165.05431	3.2
165.09134	0.9
166.06302	1.3
167.06996	0.9
170.96770	0.6
177.05481	24.8
179.07091	1.1
181.08592	20.1
191.07024	13.7
193.08615	8.8
209.08093	100.0
210.08414	1.2
266.39200	0.7
341.13937	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68209	1.9
65.03931	3.0
68.71707	2.1
69.03397	2.4
69.12678	8.9
69.13091	3.0
70.06585	5.4
75.04489	2.5
78.04708	2.0
78.68358	2.0
79.05492	3.0
81.03410	2.6
84.08141	2.4
85.02918	5.3
86.09723	3.5
91.05482	11.1
93.03423	12.2
93.07043	4.9
95.04964	5.8
97.06594	2.2
98.23428	4.5
103.05477	6.0
106.04192	17.6
106.49598	2.0
107.04966	3.6
109.06478	1.9
112.25373	2.0
117.07024	3.2
119.04934	2.2
121.06525	27.4
125.06011	9.8
131.04918	4.6
133.02866	5.4
133.06532	5.3
134.03635	4.6
137.05978	45.5
139.07582	2.5
145.06506	3.9
149.05983	39.8
151.03864	2.0
151.07596	4.9
153.09065	10.3
156.05682	4.2
157.06549	2.5
161.06018	7.0
163.07475	4.1
165.05484	4.5
167.07050	12.6
173.06036	6.1
175.07541	17.6
177.05466	22.0
177.06831	3.0
181.08574	14.2
187.07562	8.9
190.06187	4.0
191.07037	12.8
193.08636	8.9
203.07063	2.7
205.08597	12.0
209.08099	100.0
217.08626	15.1
219.10202	2.7
231.10161	3.6
235.09724	6.7
249.11316	2.6
250.75008	2.1
261.09137	3.3
265.10742	5.5
321.11188	2.7
341.13748	4.5
353.13806	8.7
355.15445	9.4
371.14874	11.1
536.45349	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	586.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	1.9
55.05504	6.7
57.07061	2.9
58.83437	1.8
62.52334	1.4
67.05493	5.9
69.07064	4.8
69.74348	5.5
70.06504	2.0
71.08618	7.0
71.27244	1.7
74.05474	1.8
74.73339	1.6
79.05491	5.3
81.07076	10.4
83.08603	3.6
91.05483	3.4
93.07049	5.9
95.08611	10.4
97.06525	2.3
97.10148	2.6
99.08073	2.1
104.43165	1.7
105.07024	5.5
107.08573	6.8
109.06500	4.7
109.10180	2.6
119.08567	6.8
120.96636	68.2
121.10121	5.0
123.08073	11.1
123.18829	1.9
131.08571	2.4
133.10110	3.5
135.08047	6.0
135.11661	2.9
145.10170	4.7
145.99750	2.8
147.11671	3.9
159.11688	1.8
164.00838	52.2
175.14825	4.1
176.73291	1.6
177.12735	3.5
179.14301	23.1
184.07373	3.3
195.00293	5.5
228.23207	2.2
254.24773	15.6
312.71005	1.7
331.26331	8.6
349.27335	4.6
385.08951	2.3
397.93713	2.1
405.30011	9.7
427.22729	2.9
427.28210	39.3
445.29260	10.2
446.71152	1.8
488.85144	1.9
494.01459	1.9
525.25861	61.6
550.28735	2.3
568.30090	100.0
569.30353	2.4
586.30548	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	586.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55835	1.2
53.03938	3.6
55.01863	2.0
55.05505	6.5
57.03428	1.7
59.17754	1.4
61.02921	1.8
65.03918	1.6
67.05499	10.9
69.03431	20.0
69.07053	7.9
70.62996	2.3
71.05008	3.2
73.02929	3.1
79.05495	7.5
80.05819	1.5
81.03423	13.3
81.07059	18.9
83.04957	1.4
83.08595	5.0
85.02906	46.3
85.06535	3.3
87.00828	18.6
91.05475	7.4
93.07043	15.9
95.08602	31.4
97.02890	18.0
97.10150	2.0
99.04482	7.9
105.01878	28.7
105.07028	15.8
107.08587	25.3
109.02859	12.1
109.10160	26.5
111.11700	2.1
117.01862	2.4
117.06989	2.9
118.00750	1.3
119.08573	22.4
121.10139	20.7
123.08096	1.8
123.11691	7.2
127.03044	1.8
127.03926	29.6
130.98112	1.5
131.08582	8.5
133.10132	20.2
135.11702	14.8
137.09596	2.5
141.09041	1.4
143.08542	1.9
145.04970	13.4
145.10110	11.1
147.11674	15.0
149.13254	6.8
157.10159	3.4
159.02870	6.0
159.11693	15.6
161.13226	11.1
163.14842	14.0
166.08366	1.7
169.10033	1.8
171.11684	4.1
173.13258	14.3
175.14822	10.3
175.16116	1.7
183.11736	2.1
185.13248	3.5
187.14813	17.1
189.12730	2.1
189.16370	5.0
190.17061	1.7
193.12257	7.4
197.13176	3.1
199.14832	2.0
201.16370	6.2
203.17947	4.3
207.13805	6.9
209.56075	1.3
211.14769	3.0
213.03978	2.3
215.14270	2.0
215.17862	2.9
217.19423	1.6
219.13887	2.1
221.15388	4.0
225.16295	1.8
227.17952	2.9
229.15773	2.6
231.04979	12.8
233.15390	5.7
243.17441	2.1
243.21072	46.5
243.23508	3.3
244.21497	2.1
247.16940	4.5
248.07448	2.2
249.06085	9.0
257.22656	18.5
267.21106	7.2
271.20663	1.7
284.09732	6.6
285.22095	22.7
289.21622	1.7
289.96051	1.8
291.23270	1.8
303.23181	100.0
303.76950	1.5
304.23419	5.2
321.24231	3.9
359.71164	1.7
436.14056	2.1
533.27252	3.0
586.29187	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	586.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72989	2.0
53.03939	12.8
53.93257	1.7
55.01875	11.6
55.05516	11.2
57.03436	6.2
57.07072	4.2
61.02930	9.7
63.06504	1.8
66.05990	1.8
67.05501	9.3
67.82920	1.7
68.99794	3.1
69.03431	31.9
69.07068	27.7
69.99236	2.3
69.99564	3.8
71.04997	8.9
73.02916	8.3
79.05495	30.9
81.03413	39.1
81.07059	39.7
83.04978	3.6
83.08626	7.4
85.02903	100.0
87.00828	45.9
87.01324	3.3
91.03979	2.5
91.05470	11.7
93.07034	13.9
95.04964	4.0
95.08595	24.6
97.02889	61.6
97.06526	5.9
97.10165	5.3
99.04453	18.5
105.01872	44.3
105.07028	41.2
107.04977	6.4
107.08587	13.1
108.04504	4.9
109.02876	39.1
109.06542	4.2
109.10166	13.8
111.11742	2.3
115.09901	1.7
116.49298	1.7
117.01846	5.1
117.07040	4.4
119.08575	18.0
121.10139	7.8
123.11711	6.5
125.05988	53.5
125.13286	2.4
127.03913	76.5
129.01834	5.8
131.08578	13.3
133.06508	1.9
133.10144	23.1
135.11687	4.2
137.05951	4.3
137.13312	3.6
143.08612	3.3
145.04962	41.2
145.10118	14.6
147.02971	4.6
147.08092	3.3
147.11668	19.2
149.13269	4.0
151.07571	2.8
153.09169	2.5
159.02892	20.5
159.11691	8.2
161.09618	33.5
161.13281	8.5
163.14798	2.1
173.09612	2.8
173.13275	8.1
175.11195	16.6
175.14783	17.7
179.10617	12.2
185.13309	3.7
187.11090	2.5
187.14824	6.2
191.10756	5.8
193.12221	8.3
195.45934	2.0
197.13290	2.2
201.16438	6.2
203.14313	26.8
206.60612	1.8
211.14963	2.4
213.03969	6.6
215.14339	2.5
219.13866	4.6
221.15393	16.9
231.04979	23.7
248.07840	2.4
249.06120	4.3
257.22684	15.2
267.21103	11.5
285.22122	92.1
286.22437	4.0
303.23138	21.2
451.19733	14.8
505.28293	2.1
515.26764	2.5
533.27283	28.6
534.27588	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	586.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.7
55.01867	6.6
55.05524	12.3
57.03429	13.2
60.35444	5.7
67.05505	16.0
69.03429	34.9
69.03743	5.2
69.07067	43.9
70.00166	8.0
70.00484	8.2
71.04987	6.2
73.02921	8.6
75.38977	4.7
79.05495	45.1
81.03436	33.4
81.07063	49.1
83.08624	14.0
85.02905	85.5
86.09699	14.8
87.00841	45.0
91.05489	17.0
93.07041	20.1
95.04983	6.2
95.08615	31.5
97.02904	44.3
97.06521	9.6
99.04469	18.8
104.10735	6.8
105.01867	51.7
105.07021	43.7
107.04935	7.5
107.08601	13.2
109.02882	37.5
109.06532	7.0
109.10172	18.2
119.08594	18.6
121.10188	9.3
123.11713	9.8
125.00025	5.7
125.05990	69.6
127.03925	79.1
129.01877	5.1
131.08594	19.6
133.06529	5.9
133.10127	25.0
135.11671	6.7
137.06017	6.5
137.13293	8.9
145.04970	39.1
145.10117	21.4
147.08081	7.4
147.11697	22.8
149.13348	7.7
159.02968	25.9
159.11696	7.9
161.09628	54.1
161.13266	12.0
173.13272	10.2
175.11209	24.7
175.14821	13.5
179.10657	25.8
184.07349	36.3
184.60690	5.0
185.13254	6.6
187.14745	7.6
193.12244	12.1
198.87480	5.0
201.16403	7.0
203.14342	25.4
219.13589	6.1
221.15376	18.0
231.05070	24.4
249.06015	7.2
257.22699	18.4
267.20990	10.3
274.27380	8.8
285.22125	100.0
286.22583	9.8
303.23096	24.1
334.53265	6.5
451.19427	12.5
533.27429	32.7
552.32751	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	586.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.1
55.01873	10.5
55.05510	12.8
57.03431	6.2
57.07066	7.4
59.55697	1.8
61.02921	5.6
65.63747	2.4
67.05499	14.1
68.99782	4.4
69.03429	31.4
69.07065	35.3
69.63029	7.2
70.06587	4.2
71.04996	4.7
73.02907	9.1
77.03944	1.8
77.08614	1.9
79.05482	42.2
79.88808	1.9
81.03416	32.0
81.07053	46.2
83.04996	2.1
83.08607	12.2
84.04523	2.0
85.02899	77.5
86.09715	3.5
87.00829	37.0
88.07632	3.8
91.05479	17.6
93.07043	21.8
95.04997	3.8
95.08605	31.6
97.02258	2.9
97.02889	48.8
97.06528	12.7
97.10168	5.3
98.22826	3.9
99.04461	18.1
105.01863	54.4
105.02535	4.0
105.07025	35.1
106.08652	2.6
107.04961	6.5
107.08576	17.2
109.02876	44.4
109.06506	4.0
109.10162	18.6
111.11703	3.7
117.01820	2.6
119.08568	21.1
121.10136	10.8
123.11703	6.5
125.05985	70.0
125.09631	2.3
125.13286	7.3
127.03910	69.6
129.01878	5.0
131.08537	14.3
133.06488	5.4
133.10124	34.1
135.08084	2.4
135.11694	8.3
137.05972	4.0
137.13225	4.8
143.08549	2.6
145.04942	30.4
145.10100	17.9
147.02931	3.3
147.08043	4.2
147.11665	22.6
149.09697	2.2
149.13297	7.1
151.07545	4.8
159.02916	14.7
159.11644	10.7
161.09621	51.7
161.13280	9.2
173.09616	4.3
173.13235	10.1
175.11169	28.6
175.14798	17.5
177.08989	1.9
177.16397	4.1
179.10672	26.2
180.10820	2.1
184.07320	8.6
185.13217	4.9
187.14832	9.3
189.03909	3.4
189.12805	3.7
189.16425	4.9
191.10706	5.1
193.12263	12.6
201.12752	4.1
201.16452	10.3
203.14293	21.3
203.17999	2.9
207.13704	2.6
213.04015	7.3
215.14285	2.6
215.17908	3.3
219.13843	4.5
221.15405	16.1
229.15913	4.7
231.04997	19.6
247.17012	2.8
249.06133	7.5
257.22635	11.5
267.21115	14.1
274.27420	36.0
275.27777	16.6
285.22144	100.0
285.25714	20.9
286.22699	3.1
295.02533	2.1
303.23129	23.3
329.23218	2.0
393.24054	2.6
448.93607	2.1
451.19617	9.2
497.25790	3.2
515.26294	4.7
525.63770	2.2
533.27454	35.8
534.27692	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	586.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
51.75907	0.9
53.03946	4.9
55.01867	2.8
55.05512	10.3
57.03424	3.4
57.07076	7.1
58.80998	1.0
61.02926	2.2
65.03941	2.9
67.01410	1.1
67.05504	12.5
67.77570	1.0
69.03430	14.9
69.07069	41.1
70.28254	1.6
70.28578	1.2
71.05000	2.9
73.02911	2.7
77.03885	1.2
79.05494	51.3
81.03416	12.5
81.07056	53.4
83.04985	2.0
83.08622	13.6
85.02905	40.3
86.52810	1.0
87.00832	21.1
91.05481	21.1
93.07050	19.1
95.04980	6.2
95.08605	30.7
97.02894	19.9
97.06532	16.8
97.10181	6.9
98.22621	1.0
99.04447	5.2
102.75105	1.1
105.01866	55.7
105.04521	1.5
105.07026	34.2
107.04948	12.4
107.08585	14.3
109.02888	17.6
109.06532	4.9
109.10156	18.4
111.04422	2.3
111.11733	4.5
117.07013	3.4
119.04983	1.6
119.08576	21.8
121.06505	2.1
121.10142	10.9
123.04469	1.6
123.11687	8.6
125.05991	100.0
125.09642	2.2
125.13264	7.7
126.06330	1.1
127.03912	38.4
128.06204	1.2
129.01825	1.3
129.06973	1.4
131.08563	10.3
133.06491	4.7
133.10124	37.5
134.10439	1.2
135.08084	1.1
135.11697	5.0
137.05980	10.4
137.13231	2.9
139.07562	2.9
142.07788	1.2
143.08569	3.5
145.04965	15.7
145.10124	15.0
147.02895	1.2
147.08047	4.8
147.11679	18.4
149.09604	1.7
149.13228	6.0
151.07530	7.3
151.11147	2.1
151.14818	3.8
151.78973	1.1
155.08548	1.3
157.10165	3.3
159.02928	3.3
159.08060	3.6
159.11713	6.5
161.09619	74.8
161.13231	8.0
162.09901	2.2
163.07573	1.2
163.11098	1.1
163.14796	2.1
165.09132	1.9
165.16408	1.5
169.10170	1.3
171.11684	2.5
173.09584	3.6
173.13264	6.3
175.09653	2.1
175.11180	39.3
175.14819	10.9
176.11497	1.2
177.09114	3.0
177.16417	2.8
179.10660	36.2
179.14304	1.0
183.11740	1.6
185.13293	3.2
187.11154	1.5
187.14835	7.4
189.12778	7.5
189.16364	1.7
191.10651	4.2
193.12218	12.4
197.13187	1.5
201.12758	3.6
201.16391	6.6
203.14326	15.3
205.12215	1.9
207.13847	3.1
211.14893	2.4
213.03902	4.2
215.14314	5.2
215.18022	1.5
219.13849	6.3
221.15352	20.3
221.17422	1.6
225.16521	1.1
227.17853	1.4
229.15903	5.1
231.04977	21.9
231.21080	1.2
233.15378	4.1
247.16908	4.7
248.17793	1.1
249.06067	16.9
257.22607	14.4
267.21109	9.7
269.12054	1.0
275.23679	1.6
284.09872	1.5
285.22128	78.6
286.22461	3.1
295.11755	2.2
303.23276	17.3
431.05200	1.2
451.19806	6.4
533.27423	31.6
534.27368	2.1
551.28375	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	586.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01862	1.0
55.05507	2.5
57.03430	1.1
61.02914	0.8
67.05502	2.5
67.44893	0.5
67.97344	0.6
69.03426	5.9
69.07071	1.3
69.22655	2.8
69.23022	1.2
70.06608	0.6
70.97251	0.6
71.04996	1.2
79.05487	2.6
81.03428	3.1
81.07063	9.3
83.04979	0.7
83.08602	1.9
83.24403	0.5
85.02909	10.4
85.06580	0.6
87.00839	5.5
91.05485	3.3
91.91133	0.5
93.07027	5.6
95.04967	1.1
95.08612	8.4
97.02896	4.5
97.06523	0.8
97.10164	1.7
99.04453	2.0
100.11259	0.6
105.01868	10.3
105.07028	11.3
107.08602	9.1
109.02879	4.6
109.06519	0.7
109.10161	5.2
111.08086	4.5
117.07027	1.6
119.08570	6.4
121.06555	0.6
121.10156	7.9
123.08095	1.0
123.11748	2.6
125.09637	8.8
127.03912	9.1
131.08560	6.2
133.09177	0.8
133.10139	9.7
135.08035	1.0
135.11688	2.7
137.09593	1.4
139.11209	0.6
141.06950	0.8
143.08557	2.3
145.04979	3.3
145.10120	10.7
147.11697	4.1
149.09624	1.4
149.13248	1.8
151.11176	0.8
155.08572	1.6
157.10118	2.5
159.02853	1.0
159.11705	3.9
161.13266	13.2
163.11176	3.1
163.14917	0.9
169.10130	2.3
171.11714	2.4
173.13252	4.9
173.73064	0.5
175.14828	4.6
177.12755	2.7
183.11726	2.4
185.13266	2.0
187.14835	2.4
189.12775	0.8
189.16342	0.8
191.14352	1.1
197.13261	2.0
199.14822	3.4
201.12851	0.6
201.16359	3.4
211.14713	3.5
215.18044	0.8
225.16391	2.1
227.17908	2.5
229.15863	1.4
229.19678	0.6
231.04942	3.6
239.18030	3.4
241.19696	1.0
243.17542	0.8
243.21095	1.3
249.06140	1.7
257.19067	1.7
257.22595	3.4
267.21097	11.3
285.22134	32.3
286.22479	1.4
303.23181	100.0
304.23438	5.0
344.25674	0.8
402.93320	0.6
429.06015	0.7
586.28564	1.9
587.30676	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.0
55.01874	6.5
55.05516	4.2
57.03185	0.9
57.03426	4.9
60.27559	0.7
61.02923	5.4
65.03923	0.9
67.05501	10.5
68.99800	1.9
69.03429	31.8
69.07059	3.7
69.21519	1.8
69.21925	3.4
71.05004	4.0
73.02911	4.7
79.05492	8.3
79.95673	1.1
81.03416	18.6
81.07054	28.9
83.08610	6.7
85.02903	93.2
86.42596	0.7
87.00829	37.1
87.04498	0.8
91.03952	1.4
91.05479	5.4
93.07050	14.1
95.08604	31.4
97.02889	28.7
97.10150	3.9
98.18182	0.8
99.04453	10.8
105.01865	74.4
105.07026	9.7
107.08592	15.5
108.04469	1.3
109.02877	27.0
109.10159	19.8
111.11698	1.6
117.01861	2.3
119.08566	8.7
121.10144	15.8
123.11707	9.2
126.05489	1.9
127.03914	65.6
129.01840	2.6
131.08530	1.7
133.10115	9.3
135.11700	23.9
135.80353	0.9
137.13258	3.0
145.04956	33.4
145.10127	2.3
147.02902	2.1
147.11703	7.8
149.13243	19.5
151.14789	1.8
159.02892	9.7
159.11658	2.0
161.13240	12.2
163.14818	7.7
165.16388	3.6
173.13315	1.3
175.14827	20.5
176.15244	0.9
177.04059	1.0
177.16431	3.5
187.14879	1.0
189.03961	3.1
189.16399	13.4
201.16347	2.9
203.17949	11.4
206.42554	0.8
213.03914	4.9
215.05563	1.5
215.17952	3.5
217.19489	2.0
229.19539	2.9
231.04997	30.4
243.20978	1.0
248.07635	1.4
249.06056	19.4
259.24225	3.8
267.20972	1.4
285.22565	3.3
285.25748	100.0
286.26129	3.0
303.19678	1.4
303.23199	6.6
303.26819	7.4
580.08765	1.0
586.28021	3.3
587.27405	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13741	0.7
55.05502	2.5
57.07075	36.1
59.05011	0.8
60.87281	0.6
67.05508	1.2
67.84875	0.7
68.39809	0.8
69.07076	1.8
69.35059	2.3
71.08633	25.3
73.06554	7.4
81.07074	1.4
83.08613	2.0
85.09687	1.4
85.10181	19.1
87.04467	7.1
89.06029	100.0
91.07589	1.5
93.21078	0.8
95.08610	0.9
97.10175	3.2
99.11713	3.8
105.07033	0.8
107.07069	1.9
113.13293	1.1
116.10900	0.7
117.09129	6.4
119.38470	0.7
130.08646	2.1
131.06975	1.4
133.08601	58.3
135.10175	1.1
155.17955	4.2
161.11757	1.4
175.09686	1.3
177.11220	23.4
178.11475	1.0
198.97478	1.2
199.20552	5.4
221.13832	4.5
239.15051	0.9
240.23177	1.6
243.23169	11.5
245.05153	0.8
265.16501	1.8
283.17477	2.4
287.25818	8.0
327.20111	1.4
371.22720	1.1
376.73431	0.8
415.25391	5.3
475.55020	1.1
485.18204	0.9
513.17841	1.8
527.23346	0.9
543.75574	1.0
569.42566	13.4
586.45929	3.7
587.21033	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	587.1376
Annotation	Prunin 6''-O-gallate
Peak:m/z	Relative Intensity
54.24870	0.3
70.06593	0.6
70.46432	0.4
72.08176	0.3
73.78513	0.2
80.14198	0.3
84.08155	0.3
86.09708	0.8
129.10303	0.3
148.49771	0.3
185.20105	0.3
198.68375	0.3
215.05263	2.2
224.99731	0.3
229.14453	0.3
245.06314	15.7
273.05377	1.9
275.07391	6.9
305.04257	3.4
305.07855	0.5
306.05148	0.3
323.09116	0.5
325.10699	0.3
343.06635	0.3
353.05396	0.7
359.05057	0.3
365.06360	2.8
371.06311	1.7
389.07086	0.4
395.07297	0.6
401.06583	0.8
407.19696	1.1
413.07379	0.5
419.07355	1.2
437.08273	1.6
473.09424	0.3
527.10358	0.8
551.11621	1.1
553.64642	0.3
569.12628	14.0
570.13330	1.0
587.13672	100.0
588.14099	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	587.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17172	0.4
67.69428	0.3
69.15921	2.7
83.01102	0.4
93.65720	0.3
99.16405	0.3
137.41817	0.3
156.03909	0.4
167.99500	0.3
174.67896	0.4
175.58730	0.4
184.03648	0.3
185.04234	0.9
201.03792	0.6
203.05362	1.1
205.69930	0.3
259.07990	1.7
264.53793	0.4
331.10013	1.9
351.21329	0.4
375.27533	0.4
387.16296	0.5
407.24210	0.5
425.25293	2.1
443.22491	1.9
467.07571	0.4
475.94809	0.4
529.26373	0.5
587.30402	100.0
588.30750	3.5
588.39801	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3042
Annotation	Gln His Phe Arg
Peak:m/z	Relative Intensity
50.75603	0.5
60.78554	0.5
63.72319	0.4
63.85722	0.5
69.30836	0.9
69.31238	2.2
72.29218	0.5
81.07067	0.7
86.06075	0.4
87.18999	0.5
92.15829	0.5
95.04933	0.4
109.06569	0.5
121.23513	0.5
123.49271	0.5
181.42574	0.5
185.04243	0.7
210.14850	0.5
331.10043	2.2
345.11655	0.7
425.25046	2.8
443.22604	1.8
587.30341	100.0
588.31061	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	587.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13994	3.3
50.57940	2.6
55.05521	16.3
56.60884	2.9
57.07073	8.9
67.05505	28.0
69.07069	41.9
71.08635	3.4
71.64088	2.7
74.96567	2.7
76.21684	2.7
77.03881	3.4
79.05497	57.7
81.07060	90.9
83.08610	15.9
86.09691	5.1
91.05487	31.1
93.03397	3.5
93.07050	32.8
95.04976	11.6
95.08610	71.0
97.06480	13.8
97.10172	7.8
103.05445	4.6
105.04538	4.9
105.07030	100.0
107.04958	6.3
107.08595	37.3
109.06477	7.4
109.10158	42.4
111.11704	4.9
117.07037	9.5
118.22823	3.0
119.08575	71.0
121.06506	3.6
121.10134	34.2
123.11695	15.8
125.05987	85.7
126.88747	2.8
129.07028	4.1
130.07802	4.6
131.08572	64.7
133.06451	4.5
133.10124	57.5
135.11702	19.2
137.06000	5.1
137.13286	7.6
141.53992	3.0
143.08549	12.9
145.10130	83.9
147.08096	6.2
147.11684	41.4
149.13251	17.6
151.07552	12.9
157.09024	3.1
157.10069	17.5
158.10988	3.9
159.08070	5.4
159.11682	37.1
161.09621	23.9
161.13280	24.4
163.14824	12.4
165.09099	4.7
169.10204	4.4
171.11719	12.3
173.09657	3.3
173.13257	65.1
175.11209	13.1
175.14827	83.0
177.16411	11.4
179.10652	5.2
183.11719	4.1
184.07329	13.4
185.13216	15.8
187.14848	33.5
189.16382	7.9
189.54826	3.1
193.12376	3.7
199.14763	23.1
201.12759	8.8
201.16394	29.8
203.14333	27.3
203.17911	9.7
213.16415	13.3
215.14441	3.9
215.18050	6.8
219.13791	9.5
221.15436	8.3
222.07582	3.1
227.17914	14.9
229.19514	24.0
231.21205	3.8
233.15335	3.6
241.19572	5.9
243.21156	6.8
255.21112	4.8
257.22876	6.8
267.21140	3.5
285.22073	19.3
313.94223	2.9
537.25897	3.1
541.43994	11.6
559.45087	53.3
560.45160	3.6
569.43243	5.3
587.44397	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	588.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.7
55.05505	10.8
56.59077	3.8
57.03442	6.2
59.49874	3.7
59.65952	3.1
61.02917	7.1
66.21289	3.4
67.05492	17.7
69.03441	27.1
69.07068	19.2
69.95918	7.7
69.96274	10.9
71.05006	4.8
79.05493	16.4
81.03424	29.7
81.07059	87.6
83.08622	7.1
85.02907	100.0
86.09694	5.0
87.00832	49.1
91.05467	13.5
93.07054	24.7
95.04947	5.7
95.08614	60.7
97.02876	39.3
97.06506	5.4
97.10182	5.4
99.04457	14.4
99.08088	4.4
105.01871	88.9
105.07029	28.9
107.08620	30.7
109.02886	27.9
109.10154	40.4
111.08057	5.5
119.08592	42.0
121.10138	21.2
123.11704	15.6
125.09645	6.1
127.03924	77.2
131.08583	11.4
133.10147	39.4
135.11690	16.4
137.13231	4.9
143.08554	7.8
145.04956	36.1
145.10085	30.3
147.02939	3.7
147.11673	32.3
149.13251	16.8
157.10132	11.4
159.02928	14.1
159.11705	23.3
161.13297	26.1
163.03938	5.8
163.14825	5.2
171.11722	5.7
173.04463	4.2
173.13248	11.2
175.14824	9.1
177.16359	7.8
184.07320	5.3
184.68959	4.8
185.13263	10.6
187.14825	14.3
189.16377	34.1
193.15865	4.4
199.14816	14.0
201.16399	9.2
207.17450	44.6
213.03889	5.1
213.16414	13.8
222.00072	4.1
227.17982	4.7
229.19505	4.8
231.05008	35.3
231.17444	6.8
249.06062	13.7
257.22614	6.7
269.22604	33.6
275.23557	5.0
285.22055	5.5
287.23645	31.8
303.23053	7.2
304.23230	5.3
305.24536	16.4
355.72290	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	588.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01874	6.6
55.05503	3.3
57.03436	5.2
61.02921	6.3
67.05495	7.1
68.99793	2.0
69.03430	31.6
69.07068	16.6
71.04984	4.8
73.02913	5.4
79.05499	7.1
81.03418	22.9
81.07056	15.7
83.08619	3.1
85.02905	100.0
87.00832	43.8
87.01292	1.0
91.05472	7.8
93.07045	12.2
95.08606	19.1
96.08747	1.3
97.02890	30.8
97.10190	2.4
99.04462	12.2
104.10725	2.6
105.01865	74.9
105.07027	11.9
107.08569	9.3
109.02882	29.0
109.10161	14.0
111.11700	13.9
115.03967	2.0
116.91189	1.4
117.01863	2.8
117.07007	9.2
119.08590	10.1
121.10156	10.0
123.11623	1.4
127.03917	73.2
129.01797	2.7
129.07031	1.8
131.08551	7.9
133.10138	6.7
135.11646	9.5
136.07466	1.4
139.11195	1.5
143.08559	2.6
145.04959	30.9
145.10133	8.7
147.02901	2.4
147.11688	7.1
149.13272	5.5
153.12788	2.2
157.10162	2.9
159.02901	13.7
159.11722	15.9
161.13260	6.5
163.14804	2.8
168.14333	1.3
171.11694	2.8
173.13237	11.2
175.11111	2.5
175.14822	4.7
177.12724	10.8
187.14783	7.2
189.03969	3.4
189.16396	4.1
191.14322	3.0
205.15953	4.0
213.03964	3.9
213.16483	2.1
221.52132	1.7
225.16307	1.5
227.17923	3.4
231.04996	32.3
248.07642	1.8
249.06026	14.6
249.39078	1.5
257.22736	2.9
269.22650	45.6
270.23044	1.9
271.24097	2.3
275.23685	2.0
285.22217	3.2
287.23691	52.5
288.24072	2.1
305.24741	10.9
413.26797	1.9
499.26840	4.9
517.27588	6.5
529.22058	2.0
535.29028	10.2
570.32813	2.9
588.30670	42.7
588.39795	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75851	3.0
53.03941	7.4
53.08535	3.0
55.01867	6.4
55.05506	4.2
60.97378	2.8
61.02919	4.5
67.05501	12.1
69.03426	13.6
69.07084	7.5
71.04983	3.7
71.87572	2.8
73.02918	4.6
79.05500	15.7
81.03422	12.5
81.07057	100.0
83.08642	3.9
85.02899	37.1
85.06516	3.9
86.09710	3.2
87.00832	20.7
91.05476	8.6
93.07048	19.8
95.04962	4.7
95.08611	49.6
97.02908	23.9
97.06541	3.9
97.10165	3.5
99.04456	6.6
102.38914	3.3
102.95317	3.0
105.01864	36.7
105.07042	22.1
107.08584	20.1
108.93237	3.0
109.02876	17.8
109.10175	24.4
111.08086	4.3
117.07111	2.7
119.08570	29.8
121.10155	16.2
123.11729	14.3
127.03922	34.9
131.08510	6.6
133.10143	29.9
135.11690	10.2
137.13239	4.1
145.04944	24.4
145.10092	14.9
147.11711	21.3
149.13228	7.5
149.54828	2.7
157.10088	6.8
159.02907	8.5
159.11684	10.2
161.13260	14.3
163.14807	3.9
171.11629	3.4
173.04395	3.8
173.13193	6.0
175.14784	4.0
177.16423	8.3
179.14238	4.1
185.13153	3.9
187.14813	9.2
189.16367	27.0
199.14874	4.4
205.15930	4.2
207.17415	31.0
213.16301	4.0
227.17986	5.7
229.19550	4.2
231.04994	10.5
231.17435	6.1
249.06055	7.4
257.22702	7.3
259.24136	4.2
262.61786	3.0
269.22595	18.7
287.23697	24.2
305.24774	7.1
478.66940	3.4
588.27991	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	588.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01868	8.2
55.05503	8.6
57.03437	5.6
61.02922	3.9
67.05505	27.3
68.99803	1.9
69.03430	20.4
69.07067	13.1
71.04988	4.7
71.46370	1.8
73.02895	5.4
79.05487	15.5
81.03401	17.0
81.07059	47.7
83.08608	7.4
85.02909	57.1
86.09690	7.0
87.00824	23.6
87.04417	1.8
91.05468	11.4
93.07044	30.9
95.05000	2.4
95.08597	46.7
97.02903	22.9
97.10161	4.2
99.04459	11.2
104.10751	6.0
105.01875	25.4
105.07028	31.8
107.04958	2.0
107.08595	37.9
109.02883	20.1
109.06477	2.4
109.10153	48.4
109.12289	1.9
111.11716	7.5
115.03934	2.4
117.07014	4.6
119.08572	22.7
121.10151	24.9
123.11696	24.6
125.00062	2.2
125.09608	3.1
127.03924	31.7
129.01834	3.8
129.06972	3.7
130.07704	2.3
131.08571	16.4
131.09486	2.5
133.10120	21.8
134.54344	1.8
135.11681	36.1
137.13264	3.0
139.11177	5.7
143.08577	7.2
145.04990	9.5
145.10123	17.1
146.98158	2.0
147.11699	30.1
149.13255	30.5
157.10149	6.8
159.02866	6.5
159.11703	26.3
161.13266	28.1
163.11069	2.4
163.14825	21.8
165.12766	6.2
169.10019	2.0
171.11696	6.4
173.13283	20.6
175.14813	12.9
177.12788	9.3
177.16376	3.3
179.14345	8.2
184.07321	5.0
185.13240	7.9
187.14809	18.6
189.16371	7.3
191.14272	12.6
195.13756	3.6
199.14844	7.2
201.16342	4.7
205.15845	6.0
209.15372	4.4
213.03932	2.5
213.16368	7.7
215.17903	2.3
219.17688	1.9
223.16858	2.8
227.17894	5.1
229.19516	11.3
231.05011	8.8
241.19467	5.3
243.21074	7.2
245.22508	2.3
249.06093	4.7
255.21019	2.0
257.22601	19.0
259.24185	3.4
267.21112	3.4
269.22647	97.5
270.23138	3.0
271.24329	10.9
272.74115	2.3
275.23679	15.8
281.29099	2.0
287.23697	100.0
288.24045	6.8
291.23007	2.2
305.24734	80.6
306.24939	2.5
323.25818	7.1
413.26907	4.2
473.29340	2.0
487.26538	4.6
499.26801	5.2
517.27747	13.2
529.20844	3.8
535.28827	13.5
588.29071	5.9
589.32990	2.1
609.27802	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	588.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40519	0.3
55.05511	0.5
56.05025	0.8
57.16054	0.3
60.08168	5.9
60.72175	0.3
67.05509	0.8
71.07381	3.4
79.05497	0.5
81.07042	0.9
86.09711	27.6
91.05470	0.7
93.07047	0.6
95.08595	0.4
97.06585	0.4
98.98482	2.7
103.53502	0.4
104.10748	2.8
105.07036	0.4
107.08611	0.5
119.08553	0.7
121.71915	0.4
123.08083	0.6
125.00008	20.2
133.10107	0.6
161.09607	0.5
184.07347	100.0
185.07724	0.7
221.33801	0.4
273.18515	1.8
299.14822	0.5
312.29773	0.3
406.30527	0.3
570.35852	0.6
572.05420	0.4
584.32764	0.4
588.36835	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	588.9549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85372	0.7
70.72951	1.0
72.08151	0.9
73.32214	0.7
77.53557	0.7
94.93027	1.7
120.94530	4.0
122.92505	1.9
150.91978	1.9
163.03949	1.7
164.93526	46.4
195.62778	0.8
202.89110	29.0
203.03947	0.9
208.92543	3.3
238.95036	11.6
256.96136	48.7
270.97684	2.3
276.87820	1.4
276.90659	10.3
292.44214	0.8
294.91721	65.2
295.06650	1.3
295.92099	1.3
298.97235	4.5
326.59698	0.8
326.96667	100.0
327.96997	2.0
328.96790	1.3
336.92761	1.8
364.92310	14.7
370.95731	2.9
408.91309	2.7
426.92328	1.2
588.95319	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	589.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62309	0.9
65.70254	1.0
68.37071	0.8
68.68211	0.8
83.01062	0.9
88.27686	0.8
95.01111	2.5
98.22703	1.8
113.02156	2.4
120.03561	0.8
127.03682	2.8
137.05978	1.1
155.03139	11.6
171.02690	4.1
172.03513	1.0
176.04518	1.5
188.81615	1.0
201.25946	1.0
217.04720	1.3
218.05563	1.6
231.06372	4.5
232.07097	16.5
233.07793	1.2
247.06012	1.2
249.07373	3.3
319.08066	1.0
363.10529	1.1
379.10031	9.7
384.34494	0.9
410.81851	1.0
464.44354	0.9
483.95508	0.9
495.07590	1.0
589.18903	100.0
590.19244	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	589.1898
Annotation	Dalbinol O-glucoside
Peak:m/z	Relative Intensity
51.23806	0.2
60.04684	0.2
62.61660	0.3
67.18536	0.3
70.06590	0.3
71.47212	0.3
78.05274	0.3
86.09714	0.6
94.04205	0.5
107.04919	0.4
117.06929	0.3
122.03662	0.9
137.05978	25.1
138.06323	0.5
143.04932	0.7
146.03386	0.5
151.03908	0.7
161.05933	0.3
167.07062	2.6
173.06033	0.8
181.04953	3.1
184.05064	0.3
203.05260	4.1
203.06944	0.6
205.08617	0.5
215.06772	0.4
217.04701	0.8
235.09796	0.7
248.45177	0.3
249.56631	0.3
346.22891	0.3
357.13382	1.8
379.11649	1.8
387.14313	1.6
409.12622	3.3
588.41022	0.9
589.18890	100.0
590.19183	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	589.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77308	0.6
69.07040	1.6
69.62601	1.6
69.62997	1.3
70.06544	0.8
72.08133	0.8
79.99030	0.6
83.51376	0.8
84.08107	1.1
86.09708	9.0
98.23479	0.8
103.12337	1.3
112.07598	0.8
123.04264	0.6
129.10214	2.6
137.05949	1.4
138.35178	0.6
143.04808	0.6
150.46964	0.6
151.03876	3.1
152.12387	0.7
161.06020	3.7
177.05510	1.1
177.06926	1.1
189.05417	3.9
195.08040	0.9
205.06473	1.6
210.06650	1.4
211.92719	0.7
219.08090	0.9
220.05118	2.0
221.05995	8.6
222.06641	0.7
223.07494	3.1
233.05910	1.6
235.07501	3.4
237.05539	0.9
237.15907	2.1
238.06300	3.4
247.07471	0.9
248.04640	1.8
249.05461	10.8
250.06180	5.4
251.07047	6.7
263.07053	4.4
265.08536	2.7
266.05734	31.0
267.06213	1.5
268.07352	0.9
270.72849	0.7
277.04944	13.3
278.05685	5.0
279.06509	5.5
281.08078	2.5
283.09598	1.0
291.06528	1.9
291.17783	0.8
293.08008	5.6
294.05206	58.7
295.05783	2.6
309.07550	100.0
310.07910	2.9
311.09122	46.4
312.09320	1.6
319.05878	1.3
322.04648	1.6
337.07043	54.8
338.07367	1.5
355.08176	1.6
421.17932	0.7
439.18637	11.2
457.19699	1.3
469.07538	0.7
487.08728	4.4
571.19031	1.3
589.20233	66.5
590.20746	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	589.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04105	0.5
51.30621	0.5
52.21848	0.5
53.03946	0.5
60.30395	0.5
61.02923	1.1
67.05507	1.1
68.59209	0.4
69.03423	0.8
69.07089	0.7
69.64746	1.2
69.65115	0.9
78.87669	0.6
79.05464	0.9
81.03418	0.8
81.07055	2.5
85.02904	3.1
87.00822	1.2
91.05489	1.1
93.07040	1.9
95.08589	2.6
97.02901	1.7
105.01863	2.0
105.07016	1.3
107.08596	1.6
109.02866	0.7
109.10172	2.0
119.08609	1.8
121.10127	1.1
123.11701	0.7
127.03918	1.7
131.08597	1.0
133.10146	1.0
135.11688	1.1
145.04971	1.0
145.10184	1.2
147.11690	1.0
149.13278	0.6
159.11693	1.5
161.13249	1.0
173.13347	0.6
175.14900	1.0
187.14816	0.7
227.05200	0.7
231.05174	0.6
245.06285	1.3
269.22562	0.7
270.22949	1.0
271.04227	1.1
288.24164	1.3
289.05399	4.3
369.52658	0.6
545.30878	4.2
589.29810	100.0
590.30341	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	589.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.5
57.65717	0.4
59.84321	0.4
61.02926	0.8
67.05506	1.2
67.69001	0.4
67.73908	0.5
69.03428	0.5
69.07063	0.7
70.37553	1.0
79.05494	1.1
81.07069	1.9
83.08628	0.8
85.02910	0.9
91.05458	0.5
93.07049	1.0
95.08650	1.3
97.02898	0.7
97.82436	0.4
98.22743	0.5
105.07054	1.1
107.08604	0.6
107.66668	0.4
109.10172	0.9
119.08604	0.8
121.10162	0.6
127.00066	0.5
130.63487	0.4
133.10144	0.8
135.07561	0.5
137.06001	0.5
145.10126	0.8
147.11598	1.0
149.13167	0.7
159.11707	1.0
161.13290	0.8
185.04294	0.9
227.05315	0.8
245.06487	1.1
271.04291	1.0
286.22589	0.5
289.05264	5.6
503.29776	0.9
545.30829	5.7
589.29803	100.0
590.30157	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	591.184
Annotation	Unknow
Peak:m/z	Relative Intensity
65.39434	0.8
69.58633	3.3
70.06601	1.0
85.02921	1.0
86.09692	1.0
89.06038	0.9
95.01100	1.3
96.01862	1.2
96.04686	1.0
101.54424	0.8
103.03974	4.9
112.01395	1.0
113.02125	1.1
120.08011	0.9
130.05356	0.8
142.16148	0.8
157.04710	0.9
185.04245	5.1
201.03766	1.8
210.33252	1.0
217.04718	1.5
232.07069	12.3
313.07144	3.2
353.10410	1.7
363.08762	2.2
367.08273	2.7
391.70648	0.9
409.09305	1.2
428.36392	0.9
445.11453	3.0
559.17603	1.1
591.19757	100.0
592.19702	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77370	0.8
60.29293	0.7
68.06047	0.7
69.37997	0.7
70.06599	1.3
75.72234	0.7
124.52805	0.9
155.68057	0.7
173.46341	0.8
175.03711	2.6
202.20625	0.7
217.04659	1.7
219.06363	2.9
232.07053	16.3
256.01636	0.8
351.10620	8.6
365.12119	9.6
429.15005	4.1
591.20459	100.0
592.20746	4.8
607.99622	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2052
Annotation	Unknow
Peak:m/z	Relative Intensity
66.00834	0.2
66.65903	0.2
66.68548	0.2
68.58784	0.2
68.81496	0.2
68.99552	0.2
69.36336	0.9
69.83206	0.2
81.03182	0.3
82.03965	0.3
83.01101	0.5
84.01881	0.8
95.01098	2.6
96.01872	1.2
97.02664	0.4
98.23467	0.4
99.67332	0.2
103.03976	0.4
103.05412	0.2
111.31607	0.2
112.01326	1.0
113.02133	2.8
126.02983	0.3
131.04967	0.7
141.05267	0.6
156.56575	0.2
157.04750	1.1
163.07590	0.3
164.26097	0.2
167.03168	0.8
169.04799	0.4
185.04236	5.1
185.05777	0.9
201.03694	1.5
203.05229	1.2
216.06105	0.3
217.04668	1.1
232.07074	10.4
233.07851	0.5
245.07739	0.3
351.10666	0.4
365.11996	1.4
381.11456	1.4
407.12930	0.9
560.18597	0.3
561.19531	0.9
591.20471	100.0
592.20844	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	591.2604
Annotation	Trigonosin A
Peak:m/z	Relative Intensity
50.61017	0.8
79.05492	0.8
92.97180	0.9
218.30231	0.9
261.13464	0.8
273.39810	0.8
303.82779	0.8
313.27170	0.9
414.18573	1.4
415.19464	5.3
416.20184	1.9
417.20798	1.3
418.21756	1.0
428.20441	1.2
429.20786	8.2
430.21692	4.6
431.22455	1.9
443.22382	3.5
444.23517	7.7
445.24258	5.1
457.20001	1.4
459.21130	2.6
459.25671	4.5
471.22174	1.2
472.22388	3.0
473.23376	5.5
474.23996	3.2
485.23398	2.6
487.24902	19.7
488.25360	1.9
489.22882	1.9
502.98343	0.9
503.24405	2.2
515.24347	1.5
517.22870	0.9
531.23877	13.4
532.24634	5.9
591.26001	100.0
592.26221	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
105.07006	1.4
167.03256	2.6
182.56187	0.9
185.04178	2.2
185.22441	0.9
227.05293	3.7
259.17181	1.1
263.18817	1.1
271.04239	19.4
289.05365	2.8
343.22443	2.3
444.68210	0.9
482.92889	1.0
505.27802	1.3
511.52194	1.0
547.28845	4.5
573.26697	17.0
591.27765	100.0
592.28137	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	591.2779
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
54.49707	0.5
55.05499	0.7
67.05513	1.9
69.07064	1.3
71.46210	0.5
72.83816	0.5
79.05509	1.2
80.90587	0.5
81.07071	1.6
86.91658	0.5
93.07043	0.7
95.08573	1.1
104.10740	1.6
105.07047	0.8
107.08596	0.7
109.10149	0.8
133.10094	0.6
137.09528	0.6
146.98221	1.1
163.03964	1.2
185.04356	0.8
203.05287	1.3
225.05959	0.6
245.06354	6.0
271.04230	1.2
275.19955	0.6
276.42563	0.6
287.03702	0.6
289.05295	12.1
343.21939	1.2
376.28992	0.6
403.23325	0.7
474.35873	0.6
505.27603	2.0
526.82977	0.6
529.27600	1.2
547.28717	10.4
573.26514	3.4
573.34894	1.4
591.27740	100.0
592.28033	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	591.314
Annotation	CHEBI:70541
Peak:m/z	Relative Intensity
50.67143	0.8
55.05515	0.9
67.05505	1.0
67.33891	0.8
68.96900	0.9
69.07061	1.3
70.61723	1.4
76.72628	0.8
81.07053	1.9
93.07067	1.8
95.08632	1.2
98.45536	0.9
107.08674	1.0
109.10188	1.4
121.10133	1.4
121.56223	0.9
134.49774	0.9
135.11627	1.1
205.99898	0.9
246.11278	0.9
271.04355	1.6
289.05386	2.4
307.26343	1.3
413.20908	0.9
505.30997	1.0
547.32635	5.2
591.31476	100.0
592.31628	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	592.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.7
58.38255	0.3
61.02926	0.6
62.78484	0.3
65.59917	0.3
69.03418	1.4
69.22443	0.3
69.22811	2.1
69.26826	0.3
70.06580	1.1
72.40551	0.3
73.02905	1.7
81.03426	0.3
85.02905	2.9
86.09700	0.5
87.04424	0.3
91.05464	0.4
97.02886	1.1
107.04967	2.1
109.02857	0.5
111.10770	0.3
120.08135	0.3
123.04450	0.6
127.03886	0.4
145.04982	0.4
147.04463	0.4
163.03870	1.1
165.06915	0.5
176.07088	0.7
180.70006	0.3
181.06444	1.2
182.07164	0.3
185.05962	0.9
197.77589	0.3
198.06616	0.8
209.06020	0.8
209.08342	1.1
210.06776	0.9
210.09033	0.3
211.07568	0.7
213.09032	0.4
216.19611	0.8
220.05579	0.4
220.07570	2.0
221.06042	0.6
221.08374	1.1
222.09175	0.5
225.09085	0.5
226.06227	1.2
235.07623	1.7
236.06989	2.1
237.05605	0.6
237.07805	10.2
238.06218	2.4
238.08424	0.7
239.07095	0.6
241.08521	3.4
245.04457	0.5
248.07005	0.8
249.07765	0.6
250.06250	1.6
250.08546	0.6
251.07137	0.3
252.07610	0.5
252.10176	15.4
253.04900	0.4
253.08582	2.4
254.05670	1.7
254.08228	0.9
255.06526	0.9
263.07071	0.6
264.06598	0.9
265.07382	2.2
266.05634	1.0
266.08124	3.7
267.08859	1.4
268.06061	0.5
268.09653	0.4
269.08072	11.1
270.08911	2.1
270.11279	2.6
280.09680	33.5
281.07721	1.8
281.10400	2.9
282.07608	6.9
282.10577	0.7
283.08408	2.4
296.09149	2.7
297.09915	1.9
298.10727	100.0
299.11047	4.3
442.15054	0.4
460.16086	4.1
492.34976	0.5
592.20831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71958	0.5
53.77857	0.5
67.79583	0.6
69.46066	1.5
69.46463	0.9
98.23392	1.2
105.32787	0.6
121.83369	0.6
140.57512	0.6
246.55260	0.6
389.17358	1.6
390.18631	0.9
401.16644	1.3
402.16946	4.2
404.20020	1.5
415.18445	1.5
416.18790	8.6
417.19589	6.1
418.20465	0.7
419.22491	0.7
428.18808	1.6
429.19492	2.2
430.20142	6.1
431.21313	4.7
432.21967	0.9
433.23846	2.0
443.20993	1.9
444.22009	3.6
445.23065	3.9
446.23520	34.9
447.23447	2.3
457.22949	0.9
458.23404	5.8
459.22931	2.1
460.21579	3.1
461.23001	2.7
472.25189	5.7
473.25964	5.1
476.24768	2.3
477.21457	1.2
486.23001	2.1
487.27594	4.3
500.24585	1.6
501.25272	5.3
502.21939	4.2
505.24316	1.3
516.27643	4.1
517.24725	9.6
518.24976	1.0
532.27203	10.0
533.25635	6.8
560.26532	27.6
561.26990	2.1
578.27722	8.3
579.28241	0.7
592.29175	100.0
593.28125	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	9.4
61.73455	0.5
72.03662	0.5
87.04472	12.4
89.06036	13.8
103.03947	100.0
103.07572	5.7
104.04266	0.6
107.07066	1.3
113.06001	0.9
117.09148	0.9
119.07075	1.4
119.08540	0.7
121.08660	1.3
131.07011	3.4
133.08601	7.8
135.07010	0.6
146.97711	0.5
147.06537	10.1
147.10214	2.0
163.09676	2.5
175.09554	0.8
177.11227	2.3
191.09148	7.0
207.12334	3.4
232.07193	0.7
233.07162	0.6
235.11765	8.4
241.73639	0.7
251.14922	1.0
279.14572	2.0
295.17569	0.7
297.15509	0.7
323.16949	1.2
339.20157	0.6
375.37384	0.7
403.37735	0.6
529.28595	1.0
575.29022	1.8
592.20667	6.5
592.31421	1.8
593.21851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13420	1.0
54.88758	1.0
56.78258	1.0
70.11469	2.0
70.11784	1.3
94.93020	19.8
98.22778	1.0
109.77570	1.0
112.89613	1.8
114.89347	3.2
116.89155	1.2
188.93588	1.7
192.99889	4.4
206.94576	57.8
250.89342	4.3
250.93558	100.0
268.93771	2.1
284.89417	4.9
286.94757	1.4
300.86627	2.2
301.87012	1.1
304.06442	1.2
310.87274	1.6
310.94818	1.8
381.07898	3.6
384.80579	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98858	1.0
57.03426	3.4
61.02884	1.0
63.11578	0.9
69.03431	4.7
69.68820	2.6
73.02919	5.8
76.41362	0.9
85.02882	5.2
85.12271	0.9
97.02881	4.0
102.04676	0.9
103.05473	1.5
107.04942	2.6
110.18464	0.9
114.01434	0.9
115.03934	2.3
121.78388	1.0
122.06026	5.0
127.03873	2.0
130.04126	1.7
131.04982	5.5
132.05672	1.2
143.93600	1.1
148.05183	7.4
149.05974	26.6
149.07195	1.6
150.06717	1.2
162.05472	11.5
163.06178	1.0
175.06279	4.6
176.06964	1.6
194.07231	1.6
196.08833	2.5
207.08038	1.4
222.06792	2.2
222.09151	1.3
224.08246	4.6
225.09137	9.9
227.07164	1.2
240.07796	12.5
241.08598	5.2
242.09340	5.8
251.09262	1.1
252.10170	10.4
268.09671	100.0
269.10437	67.1
270.10837	2.4
292.01096	0.9
299.10248	94.0
300.10669	2.6
310.11008	1.2
461.15576	30.7
461.22168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27204	0.3
65.63120	0.3
71.10625	0.5
79.58070	0.3
118.69432	0.4
190.92732	0.3
278.99677	0.4
348.43277	0.3
387.16022	0.3
389.17648	1.3
402.18317	1.2
403.19144	3.0
404.19794	1.1
405.20697	1.9
416.20132	1.4
417.15900	0.5
417.21225	4.2
418.21640	2.5
419.22321	5.1
420.22839	0.6
429.21225	0.6
430.17847	1.4
431.18259	9.2
431.23672	0.4
432.18719	2.4
433.24115	7.2
434.24567	1.0
444.19165	0.8
445.19958	10.4
446.20624	5.5
447.21692	5.6
449.23962	0.5
459.21405	3.5
460.22540	11.4
461.23242	10.7
462.23709	1.0
473.23529	2.1
474.23904	0.6
475.20630	0.5
476.25760	1.3
477.22183	0.5
487.24765	1.1
489.26270	0.5
491.24277	1.0
492.24911	1.0
505.21683	4.1
517.26288	0.3
518.23077	0.9
519.23853	0.8
520.24689	0.5
533.25513	40.0
534.25818	3.5
547.27692	0.5
561.24847	0.5
564.23767	0.6
565.28015	0.5
575.26471	0.7
584.75537	0.4
593.27588	100.0
594.27881	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	593.2755
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
54.90670	0.4
62.21839	0.5
65.81812	0.4
67.79206	0.5
69.90157	1.0
69.90520	1.0
88.74381	0.5
98.22791	0.5
121.58145	0.5
167.60312	0.5
223.12303	0.6
322.56024	0.5
388.17035	1.2
389.17630	1.6
401.17758	0.6
402.18457	1.5
403.19183	4.9
404.19937	1.9
405.20813	2.9
416.20288	1.4
417.16422	1.4
417.21381	6.3
418.17023	0.6
418.21899	3.1
419.22281	7.5
420.22964	0.9
429.21149	0.8
430.17743	1.5
431.18259	13.7
432.18759	4.8
433.24271	9.2
434.24545	2.6
444.19363	1.1
445.19971	18.0
446.20654	7.8
447.21625	8.0
448.22318	1.6
459.21393	4.8
460.22534	13.7
461.23352	11.0
462.24088	0.9
463.21472	0.5
464.22546	0.7
473.24033	2.6
474.24390	0.8
476.26318	1.1
477.22595	0.7
487.25375	1.2
488.25641	0.6
491.24869	0.9
492.25198	1.8
505.22006	7.0
515.24182	0.6
518.23297	0.7
519.24066	1.2
533.25470	29.2
534.25653	2.7
564.23730	1.2
565.27972	0.8
593.27563	100.0
594.27844	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	593.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16855	0.1
56.05038	0.2
59.92001	0.1
65.03912	0.1
70.52241	0.2
72.08148	0.5
73.62656	0.1
79.05484	0.4
81.07036	0.1
91.05462	1.2
94.74940	0.1
98.97588	0.3
103.05460	0.2
104.06239	0.2
104.23192	0.1
105.07037	3.0
107.08556	0.2
115.00665	0.1
116.98629	0.1
117.06946	0.2
118.06516	0.2
121.06506	0.5
131.07207	0.1
132.08075	1.1
133.08873	8.5
144.08073	0.2
146.09656	0.4
147.10425	0.2
148.11209	100.0
149.11583	1.6
159.09267	0.1
186.50433	0.1
188.07092	0.5
193.13368	0.1
196.95200	0.2
214.95442	0.2
228.06369	0.2
245.09148	0.3
262.15530	0.6
281.24219	0.1
289.11224	0.4
290.14978	5.3
291.15298	0.2
304.16632	0.2
310.75308	0.1
361.22266	0.5
389.21817	5.5
402.98825	0.1
407.22989	0.2
451.16510	0.2
576.28271	0.7
593.30798	7.5
594.31299	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41893	0.2
54.86395	0.2
56.05029	0.6
56.96555	0.9
58.06593	0.8
60.08161	5.9
69.13418	1.4
71.07375	3.1
72.08146	0.5
86.09705	12.0
86.96944	0.2
102.92602	1.0
104.10740	100.0
105.10419	0.2
105.11102	0.6
108.47211	0.2
118.92098	0.8
120.93729	0.2
124.99999	0.4
130.65459	0.3
136.93112	3.0
154.94174	3.8
159.86343	0.2
160.90601	0.3
162.94637	1.9
172.95241	4.3
172.96646	0.4
177.95694	0.3
180.95726	9.3
190.96321	0.9
192.95711	0.5
195.96884	0.4
198.96790	25.4
199.97244	0.2
202.38420	0.2
203.97383	0.7
210.96768	2.3
216.97852	10.9
217.81036	0.2
221.98418	2.4
228.97804	1.8
233.98444	0.4
236.98373	0.7
239.99524	0.5
240.09987	0.4
240.97890	0.4
254.99344	1.3
258.04053	0.4
282.04105	0.5
300.05334	0.4
313.20517	2.4
314.06726	0.5
331.21417	1.3
393.17181	0.5
419.18521	1.0
431.19119	0.3
437.20078	0.9
449.19693	2.8
475.21100	1.9
478.26083	4.5
493.08344	0.3
518.32129	0.2
534.28699	7.1
535.22699	0.3
535.29779	0.3
552.29889	0.3
594.30756	16.4
595.30499	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70045	1.0
53.03935	2.2
53.40628	1.1
55.05514	6.9
55.68118	1.1
57.07067	2.6
61.02918	2.0
65.03946	1.7
65.05472	1.0
67.05511	11.1
69.03427	4.1
69.07066	10.6
69.13040	7.5
71.05001	1.4
73.06548	1.3
79.05502	11.0
81.03448	1.9
81.07060	41.9
83.08615	1.9
85.02911	9.4
85.93988	1.0
91.05486	12.8
92.92671	1.2
93.06450	1.4
93.07053	36.8
95.04978	3.2
95.08610	52.1
97.02900	3.8
97.06525	3.6
97.10165	2.4
98.23438	2.5
105.04514	1.1
105.07037	31.5
107.04987	1.9
107.08599	41.2
109.02927	1.1
109.06509	3.1
109.10162	19.6
111.08078	5.0
111.11692	5.8
117.07042	2.5
119.06091	1.1
119.07739	2.5
119.08586	45.9
121.06503	3.5
121.10160	13.4
123.08070	3.3
123.11684	1.9
125.05952	5.2
125.09650	4.0
127.03935	3.3
129.79686	1.0
131.08539	4.0
133.06525	1.1
133.10136	38.3
135.08061	1.0
135.11693	38.5
137.06039	1.2
137.09612	1.5
139.07559	7.9
143.08543	3.4
145.04956	4.4
145.10129	3.3
147.08031	1.7
147.11688	27.0
149.13277	3.6
151.11156	1.5
153.09106	3.4
157.10066	5.4
159.11697	3.6
161.09605	4.1
161.13271	14.5
171.11655	1.6
173.13298	5.6
175.11194	2.4
175.14822	8.9
179.10689	8.0
189.16391	100.0
190.16708	1.4
191.18011	1.4
193.12309	2.4
199.14812	6.5
203.94305	1.1
207.17461	1.5
216.14397	1.2
217.15878	34.9
235.16937	37.0
236.16969	1.1
253.17940	2.1
361.20184	2.2
379.21152	10.3
397.22333	3.0
533.52551	1.2
594.91815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34159	1.8
55.05510	8.4
57.44283	1.5
59.60229	1.4
67.05508	13.6
69.03413	5.0
69.07072	11.2
70.63089	2.9
71.05017	1.9
79.05483	12.2
81.03400	2.6
81.06630	2.4
81.07062	36.6
83.08614	3.8
85.02914	12.5
91.05471	13.8
93.07043	28.8
95.04974	5.1
95.08611	49.0
97.02900	2.2
97.06515	2.1
97.10162	2.4
105.07038	28.0
107.08597	40.4
109.06511	2.3
109.10160	14.7
111.08109	3.3
111.11718	4.9
119.08582	41.3
121.06543	2.0
121.10145	12.3
123.08051	3.2
125.05985	2.6
125.09632	2.0
131.08583	2.5
133.10147	30.8
135.11697	33.6
139.07541	7.1
145.04942	2.5
145.10072	3.8
146.16914	1.7
147.11671	25.1
149.13220	3.4
153.09064	3.7
157.10094	5.5
159.11728	3.5
161.09618	2.4
161.13252	14.0
173.13248	3.9
175.11130	3.5
175.14822	6.0
179.10709	7.3
184.07364	2.2
186.47134	2.2
189.16383	100.0
190.16614	2.2
191.07108	2.1
191.17810	2.0
199.14873	6.9
217.15871	32.5
235.16925	36.5
253.17938	2.1
287.16681	2.3
314.95615	1.6
329.21371	1.8
361.20218	3.5
379.21185	12.2
397.22229	3.3
425.97232	2.0
594.23199	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	594.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83561	0.8
55.05514	4.6
57.03447	2.0
57.06821	1.0
57.07082	16.7
60.17147	0.8
65.61660	0.7
67.05166	1.2
67.05508	22.8
69.07075	6.9
71.08631	15.7
73.10775	0.7
79.05482	2.8
81.07059	12.7
83.08623	6.5
85.10181	6.6
91.05482	1.1
93.07029	3.8
95.08611	85.8
96.08947	1.0
97.06524	3.0
97.10148	2.8
98.98458	0.9
105.07032	2.3
109.10179	5.2
110.06038	1.9
123.01493	0.9
123.08068	2.8
123.11752	1.9
141.09079	2.5
156.20572	0.8
159.10191	5.2
166.12260	2.5
173.68808	0.9
173.95227	0.8
184.13359	4.4
196.60490	0.7
214.18706	0.8
215.12834	2.2
239.23730	2.0
282.27875	2.0
313.27368	2.4
338.13620	1.4
339.22122	0.9
357.53094	0.8
453.35791	100.0
454.36105	4.3
540.91150	0.9
547.30774	1.0
547.40863	1.1
552.78253	0.8
576.36621	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	595.1662
Annotation	Kaempferol 7-rhamnoside-4'-glucoside
Peak:m/z	Relative Intensity
55.01862	1.4
57.03439	6.4
61.64383	1.1
63.86109	1.2
69.03437	2.6
71.04990	26.5
71.29884	1.2
75.04474	1.6
79.05491	2.6
81.03429	2.1
85.02905	37.2
97.02911	2.1
98.75824	1.0
102.04521	1.1
107.04967	5.0
109.02847	2.2
111.04424	1.2
119.04975	1.7
121.02856	3.3
123.04436	1.6
129.05475	6.1
135.04419	2.8
137.02374	6.9
142.05519	1.0
145.02869	1.6
145.06511	1.6
149.02370	1.9
163.03928	3.8
165.01842	14.4
167.03410	4.7
167.07042	11.6
169.11281	0.9
173.06033	1.4
177.01878	1.7
181.04955	11.5
183.02892	4.3
187.03886	2.3
189.01825	1.6
191.03369	2.3
195.02911	1.7
201.05507	1.6
205.04852	2.4
210.74426	1.1
215.03398	1.2
221.08049	2.2
233.08131	2.5
245.04701	1.2
255.06583	1.9
267.06616	3.6
270.05154	2.3
271.06055	4.9
272.01917	1.0
281.08105	4.5
283.05994	60.3
284.06659	5.1
286.04733	2.7
287.05371	6.1
293.08017	1.1
295.06012	8.9
295.09354	1.9
297.07480	8.7
299.05493	100.0
300.06213	9.2
305.08066	1.3
307.06097	1.7
308.06927	1.2
309.07553	12.6
311.05560	10.9
311.08957	1.8
313.07050	38.1
314.07266	1.1
321.07547	4.3
323.05435	2.5
323.09149	8.3
324.06226	1.7
325.03381	2.7
325.07016	21.4
327.05008	1.2
329.06543	87.7
330.06833	2.9
333.07538	1.9
337.03354	1.8
337.07080	22.8
338.07211	1.5
339.04980	1.2
339.08716	14.3
349.07028	9.2
353.06528	40.3
361.07095	4.9
365.06540	9.6
367.08167	18.7
377.06543	10.0
379.07990	7.9
383.02710	1.5
383.07596	22.5
387.14243	5.8
395.07584	16.7
397.09262	9.9
403.13879	3.3
413.08698	17.7
414.09277	1.4
415.09601	15.2
415.14224	4.4
417.15341	2.9
431.09729	42.8
432.10287	1.4
433.11356	7.4
449.10794	54.0
450.11023	1.6
475.12198	1.7
504.83755	1.2
546.60919	1.1
595.30170	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	595.1661
Annotation	Scoparin 2''-O-xyloside
Peak:m/z	Relative Intensity
55.01845	1.3
57.03387	3.8
61.02876	2.8
69.03432	2.9
69.20719	2.6
71.01345	1.1
73.02917	21.5
73.03289	0.9
81.03373	1.0
85.02892	5.1
86.09652	0.7
97.02846	1.8
103.03921	0.9
107.04913	0.7
109.02830	1.0
115.03882	1.8
117.84515	0.5
121.02827	1.0
127.03832	0.9
148.25090	0.5
149.02332	1.3
149.05946	2.1
151.03900	3.2
163.03822	0.8
165.01830	6.4
167.03345	2.0
175.03804	1.4
177.01785	0.8
177.05499	0.6
181.04922	0.6
183.02902	1.6
191.03325	0.7
195.02856	2.0
229.04971	0.6
232.83954	0.5
243.02704	0.9
243.06448	0.9
257.04382	0.7
259.05975	0.6
267.06500	0.6
269.08051	0.8
270.05322	1.1
271.06015	2.9
272.06604	0.6
282.05240	4.1
283.06000	5.1
284.06610	0.7
286.04657	1.6
295.05829	1.1
296.06818	6.0
297.07523	4.4
298.04724	11.6
299.05383	2.3
299.08365	0.5
300.06223	7.0
301.07040	4.2
308.06671	0.6
309.07520	1.8
310.04684	4.7
310.08395	2.0
311.05649	1.0
311.09070	4.3
312.06204	1.1
313.07047	83.2
314.07718	8.1
320.06647	1.0
323.09198	1.0
324.02737	0.9
324.06302	10.0
325.07065	7.2
325.10706	1.2
327.04993	0.8
327.08371	2.7
328.05783	18.9
329.06396	1.6
335.08832	0.9
336.06461	1.3
337.06839	3.3
338.07791	6.2
339.05051	1.2
339.08633	13.0
340.09186	0.9
341.06491	0.8
343.08121	100.0
344.08478	3.6
348.06317	2.0
349.07156	0.7
351.08643	1.3
352.05783	1.2
353.06534	1.2
353.10245	12.9
355.08008	0.8
363.08633	2.2
364.05777	1.5
365.06580	0.6
366.07425	1.3
367.08118	39.1
368.08716	1.1
376.05804	1.1
379.08109	10.5
381.09659	3.1
391.08209	6.5
394.06793	1.6
397.09186	21.0
398.09494	1.0
409.09171	17.1
410.09543	0.7
415.10104	1.6
427.10284	20.0
428.10510	0.9
433.11148	1.9
445.11298	56.5
446.11700	1.4
463.12329	39.4
464.12894	1.3
518.23352	0.6
533.62170	0.6
559.14459	1.0
564.49768	0.6
577.15387	1.0
595.16309	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	595.166
Annotation	Isovitexin 2''-O-galactoside
Peak:m/z	Relative Intensity
55.01859	1.4
57.03431	8.0
61.02921	2.7
62.38484	0.8
64.57659	0.9
67.05493	2.3
69.03422	2.4
69.07053	1.2
70.06576	3.2
73.02917	14.8
79.05477	2.6
81.03400	1.2
81.07047	2.4
85.02907	6.5
89.03912	2.4
91.05481	2.5
93.07009	1.6
95.05014	1.2
95.08590	1.1
97.02873	3.0
105.07032	2.0
107.04951	1.5
109.02882	1.1
115.03896	1.5
117.03358	1.7
121.10094	0.9
123.04465	1.1
131.20430	0.8
133.10110	3.2
135.04442	6.0
145.02837	4.1
149.02255	0.9
149.05981	2.1
151.03896	3.2
157.94687	0.9
163.03894	22.9
164.04254	3.7
165.01851	4.2
167.03465	1.8
167.07021	1.3
175.03835	1.2
177.01918	1.0
177.05551	1.7
181.04944	2.3
183.02898	1.4
191.03413	0.9
195.02904	2.2
203.96135	0.9
264.19485	1.2
270.05188	1.4
271.05988	2.2
282.05176	2.6
283.05908	3.3
284.16455	1.3
286.04703	1.6
290.88449	1.0
296.06763	6.6
297.07578	4.0
298.04727	12.1
298.10880	1.2
299.05560	1.8
299.11002	1.4
300.06171	5.3
300.11298	1.1
301.07043	5.9
309.07416	1.1
310.04669	3.8
310.08279	2.4
311.09039	4.5
312.06268	1.0
313.07034	84.1
314.07660	6.9
320.06839	1.2
324.06271	8.8
325.06931	6.0
325.10486	1.5
327.08765	2.1
328.05756	15.3
329.06537	1.8
336.06177	1.2
337.06906	3.4
338.07874	6.0
339.04907	1.8
339.08615	17.5
343.08118	100.0
344.08475	3.3
351.08536	2.0
353.06213	1.7
353.10211	13.6
353.14236	1.9
363.08603	2.9
364.05719	2.3
365.06534	1.0
366.07275	1.0
367.08118	46.1
368.08209	1.4
376.05508	2.2
379.08130	9.7
381.09521	2.3
391.08148	6.8
397.09192	25.7
398.21976	1.2
409.09109	17.6
414.21155	1.8
415.21439	3.3
416.22696	2.0
427.10269	24.3
432.22015	1.8
433.22574	3.4
434.23700	4.0
445.11273	48.4
446.11438	3.1
463.12360	34.3
464.12479	1.6
577.24591	2.4
595.16840	1.9
595.25873	3.7
596.26678	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	595.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75315	1.8
57.03442	10.8
61.02930	4.9
65.03934	4.2
67.05494	2.3
68.99788	1.9
69.03436	12.4
69.23378	1.7
70.06594	1.9
71.04986	2.0
72.08183	2.5
73.02918	18.2
76.55808	1.7
79.05117	1.9
79.05478	10.3
81.03419	2.8
84.04511	1.6
85.02901	21.5
92.99799	1.8
95.04970	5.2
97.02892	12.9
105.07049	5.1
107.04952	35.2
109.02888	3.7
115.03938	4.4
115.05457	2.3
119.04999	2.3
121.02885	12.7
123.04443	17.9
124.05238	3.8
125.06001	2.2
127.03932	14.0
133.05026	2.4
133.06490	5.0
135.04424	11.9
137.02380	2.5
139.03914	18.8
145.02869	3.2
145.06514	5.8
147.04431	5.1
148.03981	5.7
149.06056	2.4
150.05519	4.1
151.03926	4.0
153.05536	3.5
155.06026	2.5
161.05995	6.2
162.05525	3.5
163.03897	19.2
164.07147	2.1
167.07043	31.2
170.39056	2.1
171.06561	4.0
173.06018	4.2
177.05429	3.2
181.04956	71.2
183.06503	2.0
183.08047	3.4
190.04892	4.0
190.06410	1.8
193.06619	2.8
193.08640	6.8
196.69865	1.6
198.92969	1.7
201.05455	3.2
205.05099	2.5
206.05731	2.2
210.09155	6.4
211.07495	8.3
218.99496	3.1
220.07559	11.5
221.08098	18.5
233.08133	14.8
237.00728	19.6
238.08633	79.9
239.09033	6.2
243.40894	2.1
245.04466	4.6
249.07669	6.6
255.01814	6.3
261.07635	8.0
262.08734	2.8
265.07156	3.0
266.08115	100.0
267.08575	2.8
271.05972	2.7
273.03827	1.8
278.08191	11.9
279.08548	3.0
280.09653	2.0
283.06088	5.9
284.09177	10.3
289.07175	3.5
290.08081	3.9
299.05542	3.4
301.07083	8.0
304.99512	2.3
308.09262	11.0
323.08853	2.2
326.10376	3.8
329.06494	2.8
362.10168	3.5
363.04926	1.9
369.13431	1.8
379.08392	1.8
380.11301	9.2
395.19870	1.8
398.12354	11.8
403.13849	29.1
410.12384	4.4
415.13885	34.8
416.13638	6.2
425.08691	7.9
428.13406	16.8
433.15131	4.9
437.08423	2.4
439.03442	2.3
446.14508	2.9
449.10510	2.4
488.15640	4.8
524.15747	2.8
542.16351	7.2
560.17432	11.3
565.19275	2.5
582.78003	2.3
595.19800	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	595.2553
Annotation	Salasol B
Peak:m/z	Relative Intensity
64.34661	0.8
67.05515	0.9
69.07086	0.8
76.68974	0.8
79.05480	0.8
81.07088	0.7
86.09656	0.8
91.01229	0.7
95.08606	1.0
101.60195	0.8
125.00059	1.2
151.11259	0.9
184.07401	3.9
185.07745	1.1
189.24403	0.8
191.13963	0.7
195.67445	0.7
267.40009	0.8
283.25992	0.8
363.15906	1.3
377.17590	1.7
391.19296	2.2
392.19891	1.4
393.20847	2.2
395.47470	0.8
403.72128	0.9
405.16470	4.0
406.17911	2.3
407.22522	4.1
419.18454	5.5
420.19360	1.9
421.20200	3.4
433.15839	1.7
433.20511	3.4
434.21005	4.6
435.21771	7.5
436.22198	1.0
447.17560	4.5
448.18710	1.6
449.19806	2.3
461.19559	2.1
462.20352	8.4
463.21231	4.0
475.21155	2.0
479.20474	1.0
489.04730	1.0
489.22595	1.4
494.22852	1.1
507.24472	8.6
520.21216	1.1
535.23468	25.0
536.23779	1.9
567.25684	2.9
595.25494	100.0
596.25848	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	595.288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
53.59717	0.5
53.69861	0.5
55.05514	5.7
57.03442	5.7
57.07084	1.0
64.69606	0.4
65.03951	1.5
67.05510	23.4
69.03419	0.7
69.07069	5.7
70.96318	0.6
71.04993	0.9
77.03931	0.5
79.05499	12.8
81.03017	0.4
81.03416	2.5
81.07062	21.6
81.89810	0.4
83.08625	2.9
85.06537	0.6
87.15260	0.4
91.05486	5.1
93.06451	0.7
93.07047	14.6
95.04959	1.3
95.08617	17.3
97.06531	0.8
97.10172	0.8
98.98476	8.6
105.04493	0.9
105.07024	3.9
107.08597	6.1
109.02905	2.2
109.10173	6.7
117.06986	0.9
119.08585	3.4
121.10140	5.6
123.11713	2.2
131.08588	2.4
133.10135	1.9
134.14590	0.5
135.11714	3.5
145.10112	0.9
147.11665	1.4
149.13246	1.1
155.01050	2.2
159.11690	0.9
161.13254	0.9
167.14461	0.4
168.80058	0.5
173.02052	0.8
173.13252	0.7
175.14804	0.6
187.14940	0.6
206.70940	0.5
243.21077	0.5
253.53801	0.6
261.03711	2.6
261.22083	2.8
264.55759	0.5
317.24854	0.7
335.07535	1.0
335.25812	100.0
336.26169	3.6
593.63739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27418	0.5
53.03941	1.2
55.01864	0.8
55.05514	6.8
57.03440	7.6
57.07079	0.7
65.03947	1.8
67.05505	35.2
69.07068	6.9
69.81259	1.2
69.81622	0.9
79.05497	16.8
81.03422	3.6
81.07055	26.5
83.08626	3.6
85.02890	1.0
85.06519	0.9
91.05478	8.8
93.07045	18.4
95.04962	2.3
95.08604	20.8
97.10205	0.6
98.23331	0.8
98.98470	9.6
105.04533	0.8
105.07015	4.7
107.08589	7.8
109.02882	2.2
109.06512	0.7
109.10148	8.4
111.08098	0.9
117.07005	1.8
119.08559	3.5
121.10121	6.1
123.08061	0.8
123.11717	2.6
131.08585	3.1
133.10126	2.8
135.11705	3.7
143.08565	0.6
145.10114	1.6
147.11694	1.9
149.13235	1.8
155.01010	1.7
159.11732	1.3
161.13286	1.6
163.14813	0.8
173.13235	1.7
243.21140	1.0
254.76729	0.6
254.94507	0.6
255.19841	0.7
261.03616	2.6
261.22183	2.1
272.95319	0.8
307.76205	0.6
335.07486	1.9
335.25787	100.0
336.26163	2.2
374.21725	0.6
462.16660	0.7
535.17627	4.8
595.17725	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	595.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53711	0.8
57.03423	0.8
67.05505	1.3
69.07069	0.9
73.25843	0.8
81.07037	2.1
91.05502	1.4
92.20908	0.9
92.88930	0.9
97.02902	0.8
105.07024	1.1
107.04994	1.5
109.10187	0.9
115.33681	0.8
115.46124	1.0
163.04007	1.1
163.13153	1.0
163.14680	0.8
167.07098	2.3
177.05510	1.1
203.05353	1.1
239.64862	0.9
245.06285	4.3
275.39877	0.8
287.03973	1.1
289.05325	14.0
342.42792	0.9
416.14941	1.1
491.29791	1.5
509.30484	2.7
533.30859	2.4
551.31885	8.5
559.28619	1.8
577.29767	12.4
578.30536	0.9
595.30841	100.0
596.31390	4.8
602.90765	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	9.8
55.01861	7.1
55.05507	22.6
55.26974	4.4
57.07073	6.2
65.03961	6.9
66.75618	4.3
67.05511	42.9
69.07070	34.0
69.24562	28.3
71.04987	39.3
73.53759	4.4
79.05490	99.2
81.07056	100.0
82.93759	4.7
83.04974	8.4
83.08616	20.2
85.06566	7.3
91.05485	72.6
93.07048	49.1
95.04987	7.8
95.08605	56.0
97.06528	38.7
97.10174	8.2
98.23461	7.1
105.07022	80.8
107.04970	9.0
107.08597	40.2
109.06506	10.8
109.10146	37.1
111.08083	10.6
117.07037	18.6
119.08578	58.2
121.10153	24.9
123.08078	7.6
123.11727	7.3
125.05981	95.2
129.07002	12.8
131.08578	45.9
133.06502	7.4
133.10133	49.4
135.11707	15.1
137.05984	14.0
142.07770	6.5
143.08611	11.8
145.10126	46.8
147.08022	5.4
147.11681	28.4
149.09660	6.1
149.13243	8.8
151.07549	9.8
151.11230	4.4
152.61909	4.6
157.10130	20.9
159.11745	35.0
161.09631	21.0
161.13290	11.6
171.11679	14.9
173.13284	26.6
175.11188	13.9
175.14891	15.4
179.10696	5.4
185.13260	13.8
187.14787	10.6
189.70813	5.5
195.11925	6.2
199.14825	7.0
203.14334	21.6
219.13814	8.0
221.15361	5.5
233.15532	7.3
239.17894	4.7
275.20007	28.7
287.20020	6.5
291.23154	5.3
301.21570	11.3
325.25320	5.0
355.26172	6.3
357.27991	10.0
375.28809	7.5
463.22858	6.3
493.20151	7.2
531.41400	7.3
549.43109	6.1
559.41235	16.6
577.42572	71.7
578.41785	5.8
595.27625	24.6
595.43494	76.7
613.38989	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	596.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47277	0.2
69.18837	0.8
69.19254	0.4
70.17909	0.2
79.05489	0.7
79.07054	0.3
91.05466	0.6
93.07040	1.6
102.04669	0.3
103.05473	5.7
107.04958	2.6
120.08105	100.0
121.08434	1.4
123.04404	0.3
127.03933	0.6
131.04941	2.8
133.17693	0.3
135.04439	0.3
149.05981	2.4
162.05528	1.2
163.03914	0.8
166.08638	62.9
167.08971	0.9
248.06212	0.2
270.11203	0.7
307.26157	0.2
432.16400	0.7
459.29337	0.3
464.15616	0.5
564.20105	0.5
596.23596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.05485	2.7
56.05038	1.5
57.03413	3.0
58.06580	1.2
65.03938	0.7
67.05499	7.5
67.83073	0.6
69.03407	1.4
69.07044	1.6
70.06592	6.0
73.02895	3.3
74.06064	0.9
79.05097	0.9
79.05490	9.7
80.04993	0.7
81.07053	12.5
82.06546	1.0
83.08574	2.0
84.08134	1.1
85.02892	1.1
89.03916	10.0
91.05482	8.3
92.67728	0.6
93.07041	11.6
94.06531	1.0
95.04945	2.5
95.08595	5.6
96.08100	2.5
97.02897	0.8
98.09632	0.7
99.08103	0.8
103.05445	0.8
105.04510	1.4
105.07034	11.1
106.92820	0.7
107.04966	3.7
107.08588	5.6
109.06500	0.9
109.10137	3.2
110.07098	0.7
110.09647	2.3
117.03370	13.0
117.07009	2.4
119.04932	1.2
119.08542	2.4
120.08073	1.3
121.10134	2.9
123.07997	1.2
124.11273	0.9
129.06982	0.9
131.08556	3.9
133.10118	22.6
135.04410	24.4
135.08067	1.8
135.11702	1.9
145.02837	17.5
145.10115	2.3
147.04399	1.6
147.11662	2.6
149.13287	0.8
151.03891	1.2
157.10109	1.2
159.11710	1.8
163.03897	100.0
164.04208	3.1
165.01804	0.8
166.12335	0.8
172.02956	0.7
173.13271	0.9
174.28792	0.7
203.17958	0.7
213.16388	1.1
231.17455	1.4
248.20122	6.5
254.05336	0.8
256.22424	0.8
266.21136	13.1
271.05676	0.8
283.05429	1.1
284.16437	4.9
284.22131	4.9
295.04529	1.8
297.07303	0.8
298.04758	1.9
299.05118	1.8
300.06348	1.5
301.06735	1.2
302.17392	3.5
302.23318	1.8
308.22275	1.4
311.08990	1.1
313.07010	7.7
314.07416	12.2
315.08194	1.6
325.06793	2.5
326.07330	1.0
326.23380	1.0
328.05768	1.9
329.06076	2.8
339.08575	2.2
340.09021	2.6
343.08160	7.6
344.08438	12.4
354.10715	2.5
367.08167	2.6
368.08429	6.9
380.08386	0.9
392.08459	1.1
398.09610	4.0
398.21652	4.7
409.09106	1.1
410.09329	3.5
416.22760	26.7
428.10477	4.2
434.23846	50.6
435.24252	1.9
445.11310	1.9
446.11624	9.5
463.12494	1.9
464.12640	6.4
560.22858	0.8
578.25793	5.8
596.26953	41.4
597.27332	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	596.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05511	16.2
57.03437	8.0
58.01886	3.0
60.08176	4.6
65.33019	3.1
67.05504	76.1
69.07073	18.9
71.07365	3.4
71.46568	3.1
72.08140	3.7
72.63091	2.8
79.05492	50.2
81.07053	97.7
83.08635	9.1
86.09715	13.7
91.05470	20.3
93.07052	61.3
95.04972	5.3
95.08608	70.7
98.98451	4.5
99.04453	3.8
99.08134	3.7
104.10747	61.3
105.07023	24.1
107.08597	43.0
109.02878	5.3
109.10163	37.7
117.07048	9.1
119.08607	18.6
121.10135	33.2
123.11713	18.4
124.99989	5.0
131.08557	21.3
133.10104	14.1
135.11679	30.8
137.13223	6.2
145.10138	21.0
147.11667	15.5
149.02365	8.6
149.13295	18.5
159.11687	13.3
161.13263	10.5
163.14839	18.4
173.13245	14.2
175.14803	3.6
177.16412	3.8
179.14412	4.5
180.95787	4.4
187.14897	8.1
193.04936	4.7
198.96800	11.6
216.97832	3.5
223.83440	3.0
240.09889	3.6
243.21077	34.1
253.02969	3.2
261.22144	100.0
301.20169	4.7
319.19525	6.6
335.25757	28.5
337.20596	7.1
337.27374	17.6
353.26956	46.9
427.62717	3.5
473.19397	4.3
537.28906	3.8
538.30688	7.1
558.28046	5.3
561.26965	13.7
579.13739	6.8
596.26282	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	596.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.05511	16.2
57.03437	8.0
58.01886	3.0
60.08176	4.6
65.33019	3.1
67.05504	76.1
69.07073	18.9
71.07365	3.4
71.46568	3.1
72.08140	3.7
72.63091	2.8
79.05492	50.2
81.07053	97.7
83.08635	9.1
86.09715	13.7
91.05470	20.3
93.07052	61.3
95.04972	5.3
95.08608	70.7
98.98451	4.5
99.04453	3.8
99.08134	3.7
104.10747	61.3
105.07023	24.1
107.08597	43.0
109.02878	5.3
109.10163	37.7
117.07048	9.1
119.08607	18.6
121.10135	33.2
123.11713	18.4
124.99989	5.0
131.08557	21.3
133.10104	14.1
135.11679	30.8
137.13223	6.2
145.10138	21.0
147.11667	15.5
149.02365	8.6
149.13295	18.5
159.11687	13.3
161.13263	10.5
163.14839	18.4
173.13245	14.2
175.14803	3.6
177.16412	3.8
179.14412	4.5
180.95787	4.4
187.14897	8.1
193.04936	4.7
198.96800	11.6
216.97832	3.5
223.83440	3.0
240.09889	3.6
243.21077	34.1
253.02969	3.2
261.22144	100.0
301.20169	4.7
319.19525	6.6
335.25757	28.5
337.20596	7.1
337.27374	17.6
353.26956	46.9
427.62717	3.5
473.19397	4.3
537.28906	3.8
538.30688	7.1
558.28046	5.3
561.26965	13.7
579.13739	6.8
596.26282	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	596.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.5
55.05516	10.7
57.03411	1.8
57.07064	4.3
67.05506	69.0
69.03412	2.6
69.07055	11.5
69.81128	3.5
69.81463	4.2
71.54688	1.7
73.02935	2.9
79.05498	46.6
81.03416	4.9
81.07059	71.8
83.08618	8.5
85.02888	2.1
85.06561	2.2
91.05483	24.9
93.07045	55.5
95.04972	5.5
95.08604	58.8
97.06529	2.9
97.10181	4.2
99.04465	2.9
99.08103	3.1
104.10754	14.9
105.07010	20.3
107.08592	35.3
109.02905	3.9
109.06568	1.9
109.10155	30.3
110.03677	4.0
117.07008	7.1
119.08589	14.4
121.10139	30.3
123.11694	11.5
125.09587	2.0
127.03934	2.7
131.08557	21.3
133.10127	16.7
135.11699	24.8
137.09567	3.5
137.13255	5.8
143.08546	2.0
145.10139	11.9
147.11655	17.1
149.13269	18.4
149.23447	2.3
159.11684	14.0
161.13251	14.3
163.14835	15.5
165.12750	4.8
173.13266	14.6
175.14842	1.9
177.16360	5.3
179.14369	2.5
179.32625	2.2
187.14859	9.0
191.00002	3.7
191.14320	2.1
201.16434	2.3
219.17464	2.1
233.22639	4.0
243.21103	35.0
259.11847	2.0
261.22125	100.0
262.22470	2.4
263.23538	2.4
270.61673	2.0
279.23148	2.2
284.72668	2.1
301.20145	4.3
335.25873	16.2
353.26917	48.8
429.66504	1.9
482.49338	2.2
537.30322	2.4
538.30499	6.1
548.45062	2.2
561.27032	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	24.1
67.05511	77.2
69.03426	8.3
69.07046	14.6
72.51835	8.6
79.05486	49.1
81.07056	100.0
83.08607	8.1
88.02608	9.9
91.05495	21.3
93.07034	50.1
95.08589	90.7
97.02876	9.7
97.06477	11.1
105.07016	24.2
107.08591	28.4
109.06510	9.0
109.10150	38.5
110.72511	8.0
119.08562	27.7
121.10141	64.8
123.11703	18.7
133.10132	29.6
135.04407	14.0
135.11652	37.5
137.13216	11.4
145.10071	10.4
147.11761	12.0
149.13249	15.4
159.11678	9.7
163.03896	33.8
167.10519	9.6
175.14848	12.7
184.07372	16.1
217.19522	25.6
229.35321	9.2
241.19534	15.7
247.38873	9.1
259.20584	17.5
277.21600	78.2
295.22681	62.0
313.23785	18.2
596.39478	29.0
596.90302	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	596.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70807	1.1
53.03955	6.1
53.19174	1.2
55.01873	9.3
55.05509	6.1
57.03440	6.4
57.07081	1.4
61.02922	6.5
67.05507	19.2
69.03435	34.5
69.07069	6.7
70.53931	2.3
71.05006	7.8
71.46126	1.3
73.02921	4.9
78.84203	1.2
79.05493	13.2
81.03419	25.2
81.06563	2.0
81.07052	32.9
81.07505	2.4
81.76173	1.2
83.04984	1.3
83.08628	5.8
84.99577	1.1
85.02906	100.0
85.06543	26.3
87.00832	39.1
91.03965	2.5
91.05482	17.6
93.07051	30.0
95.04951	2.2
95.08608	46.9
96.88377	1.4
97.02894	28.1
99.04460	13.2
99.08074	1.4
105.01867	59.4
105.04603	1.4
105.07038	25.3
105.07728	2.1
107.08598	38.2
108.04472	3.8
109.02884	31.0
109.06512	1.5
109.10161	23.0
111.08089	1.8
113.09615	6.3
117.01833	2.9
117.07028	5.5
119.08585	30.0
121.10145	26.0
123.08083	2.4
123.11710	6.9
125.09630	3.0
126.05562	2.0
126.80814	1.5
127.03918	70.7
129.01854	2.9
129.07011	2.8
129.32288	1.4
131.08557	13.1
133.10126	23.6
135.08025	1.8
135.11696	23.1
137.09599	5.0
137.13289	2.2
143.08589	7.2
145.04961	34.3
145.10118	19.1
147.02888	3.0
147.11671	17.0
149.09641	3.5
149.13249	12.3
151.11180	8.9
153.12729	2.1
157.10126	8.4
159.02898	13.2
159.11678	17.0
161.13274	18.9
163.11124	2.6
163.14822	72.6
164.15193	1.6
165.12782	3.6
169.10153	2.1
171.11707	5.4
173.13264	12.2
175.14810	25.5
177.12798	3.0
177.16373	2.6
179.14221	1.7
181.10104	1.6
183.11681	2.1
185.13258	12.4
187.14832	10.3
189.03917	3.6
189.16382	28.4
191.14368	2.3
197.13297	3.1
199.14804	11.0
201.16412	5.6
203.14305	6.3
211.14850	3.9
213.03926	3.7
213.16446	8.4
215.18086	1.5
217.15903	1.9
225.16411	4.4
227.17894	2.2
229.19572	8.1
231.04996	27.6
231.17381	3.2
239.17920	5.7
243.21277	1.4
248.07664	2.1
249.06122	9.3
253.19563	5.8
255.21082	1.9
257.18985	2.1
267.21155	3.0
269.22705	7.6
271.93060	1.3
287.23700	6.4
294.27197	1.2
295.20840	2.5
295.24203	52.8
296.24469	1.7
313.25256	80.3
314.25668	2.4
331.26279	17.8
507.51663	1.3
543.05615	1.5
559.80261	1.5
596.34247	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	596.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
55.01885	1.1
55.04266	0.9
55.05257	1.5
55.05514	20.2
56.10470	0.7
57.03438	1.8
57.07079	15.9
66.10316	0.7
67.05508	8.4
67.43200	0.8
69.03416	1.7
69.07069	6.8
71.08640	9.8
76.89314	0.9
79.05505	12.4
81.07059	12.1
83.08627	11.4
85.10182	6.6
93.07035	1.3
95.08616	10.1
97.10174	17.7
98.06077	1.0
98.98437	1.1
105.07054	1.1
107.08594	7.4
109.10158	5.7
123.11720	1.5
124.01517	0.8
125.09625	8.4
132.79501	0.7
143.10703	2.1
161.46214	0.8
186.14903	4.3
199.13342	4.7
217.14374	1.9
234.55753	0.9
239.23772	1.8
258.11227	0.8
313.27344	4.5
393.23856	1.0
455.37332	100.0
456.37720	4.9
501.34015	0.8
596.39368	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1818
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
50.32361	0.4
51.46236	0.4
53.03946	0.9
57.03439	1.0
59.01106	0.5
61.02931	0.7
65.03952	0.7
67.01868	2.4
67.05518	1.1
68.99789	1.0
69.03422	2.0
69.20154	2.2
70.06588	1.5
79.05479	1.1
81.03403	1.2
81.07052	1.6
85.02923	6.4
86.09696	0.7
89.03907	1.2
90.95796	0.4
91.05477	1.9
91.16383	0.4
93.07045	0.9
93.20486	0.5
95.04982	1.8
95.08630	0.9
97.02898	1.5
98.23428	0.9
105.07059	0.7
107.04951	3.8
107.08625	0.6
109.02889	1.0
109.10123	0.7
115.05475	0.6
117.07030	1.1
119.04948	5.8
121.02875	0.8
121.06516	0.8
123.04449	2.4
125.06022	0.5
127.03916	2.1
132.59929	0.4
133.10130	0.6
135.04427	2.3
144.05746	0.5
145.02852	1.8
145.05006	1.1
145.06400	0.6
147.04408	27.8
148.04688	0.5
150.05475	0.6
151.03905	0.9
153.01828	63.3
154.02184	0.6
159.08051	0.7
161.05931	0.8
163.03911	8.7
165.01854	1.6
167.07050	4.3
171.02893	7.6
171.04314	0.7
173.06013	0.5
179.03381	1.1
181.04961	8.6
183.02849	0.7
187.07491	0.6
189.05431	0.9
191.03403	1.2
195.02917	3.9
195.06610	0.6
201.05489	0.9
205.08626	0.6
218.05737	0.6
219.02934	1.6
231.02890	1.3
231.06358	0.6
233.08060	6.1
237.27612	0.5
250.21614	0.8
251.09264	0.8
261.04016	0.6
263.09109	3.5
268.22614	0.7
273.07571	100.0
274.07980	4.0
285.07620	1.4
285.18863	0.7
297.06000	0.8
313.18240	0.5
315.08499	1.2
331.19006	0.8
339.08609	1.6
349.20038	0.7
351.08539	0.8
387.14221	0.9
399.14697	1.1
400.23233	0.7
417.10413	0.7
417.15891	6.6
418.24304	2.1
435.12756	6.9
436.25278	2.7
579.25488	0.6
580.27179	1.0
597.27264	0.9
598.28662	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	597.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01869	4.6
57.03414	1.7
61.02927	2.1
65.03955	2.8
69.03432	7.3
69.39410	9.4
79.05512	2.6
80.68609	2.0
81.03418	5.8
85.02910	24.2
86.09692	2.4
91.04008	2.6
91.05473	19.2
93.07051	18.7
95.04982	5.5
97.02909	9.1
98.23447	3.8
99.04470	2.0
103.05466	23.5
105.04525	2.3
105.07028	4.3
107.04987	3.9
109.02869	2.6
110.37034	2.0
115.67284	2.1
118.04156	2.4
119.04955	2.2
121.06504	36.2
121.07327	2.8
127.03929	5.3
131.04927	7.3
131.05968	2.0
133.02875	2.2
133.06509	3.9
137.05995	1.9
145.05000	4.5
148.05188	5.7
149.05980	64.2
161.05988	4.2
163.07558	6.0
167.07053	6.0
175.87468	1.9
177.05489	10.0
179.32091	2.0
180.07826	2.5
181.04973	17.9
181.08592	43.0
184.07330	5.7
191.07039	49.7
193.08572	11.4
201.05321	2.4
209.08090	100.0
225.07600	7.0
233.08095	9.7
263.09238	3.5
266.55972	2.1
417.15457	7.5
462.40915	1.9
613.39874	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	597.2183
Annotation	Staunoside C
Peak:m/z	Relative Intensity
52.70874	1.2
69.03426	5.4
79.05490	3.5
81.03394	2.5
85.02883	7.2
86.09717	1.4
91.05488	1.6
95.04975	3.3
97.02876	2.3
107.04947	8.5
115.05450	2.4
115.91570	1.3
117.07016	5.0
123.04416	1.5
124.05219	2.0
125.06029	2.1
127.03876	6.6
129.07034	3.0
131.08528	1.9
133.06528	2.2
137.05922	2.1
141.06943	2.1
144.05649	2.0
145.06499	6.3
147.08017	1.8
149.06081	1.6
153.05515	1.8
157.06509	2.8
159.08089	3.9
161.06007	4.3
167.07028	37.9
171.06525	2.1
172.05202	13.1
173.05969	5.3
175.07578	3.4
177.05513	1.4
181.04947	38.0
184.07336	4.1
185.07671	1.5
187.07562	4.0
189.05489	1.8
191.06912	1.4
200.04720	7.5
201.05388	3.7
203.06960	1.8
205.08640	4.6
207.06577	1.5
209.08148	1.7
211.05951	1.6
218.05653	9.0
219.10120	3.3
221.08099	3.1
233.08064	100.0
234.08528	1.6
235.09747	2.1
245.08362	1.5
251.09093	4.1
263.09161	33.1
280.07272	1.3
281.10367	2.0
307.09457	2.9
323.08984	1.8
367.11697	2.9
377.24921	1.5
387.14337	4.2
399.14365	7.0
417.15405	59.7
418.15692	2.2
435.16489	3.3
597.26111	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16240	0.7
53.03949	1.9
55.01867	1.4
60.04515	1.0
61.02946	1.0
61.59715	0.7
65.03944	5.4
67.05491	2.5
69.03441	5.7
70.04961	1.4
70.05275	1.1
79.05502	8.8
81.03419	3.7
81.07042	0.9
82.04205	1.7
85.02911	5.7
91.05482	3.5
93.03400	1.7
95.04959	4.2
97.02901	1.1
97.06525	2.1
105.04501	0.8
105.07032	0.9
107.04958	17.8
108.02129	0.8
109.06525	1.4
110.03660	3.2
111.04441	1.0
115.05437	3.7
116.06280	1.2
117.07021	5.0
119.04942	0.9
121.06562	1.1
122.03649	1.3
123.04420	3.3
124.05232	4.4
125.05986	3.0
127.03928	9.9
128.06197	1.3
129.06998	3.2
131.04939	1.8
131.08588	4.1
133.06474	2.3
137.05971	1.4
138.03101	2.5
140.04660	1.0
141.06978	2.4
142.02629	0.9
143.04921	1.1
144.05733	4.7
145.06497	10.4
147.04379	2.1
147.08014	1.8
149.05998	1.1
151.07495	0.9
152.04686	2.2
153.05470	5.0
155.04893	1.3
155.05997	1.6
155.07112	1.2
156.05721	1.5
157.06461	3.7
159.04388	0.8
159.08078	5.4
161.06010	5.2
163.03856	1.0
164.92775	0.6
166.02599	1.2
167.07048	54.3
168.07388	1.0
169.07584	0.9
171.04308	0.9
171.06584	5.6
172.05191	8.5
173.05975	7.9
175.03993	0.8
175.07547	3.2
176.08241	1.0
177.05391	0.9
177.09059	0.7
179.07059	1.1
181.04959	100.0
182.05315	1.5
183.06509	1.0
185.06015	1.6
187.07533	8.2
189.05484	2.4
189.09088	0.9
190.06221	2.7
191.06985	2.0
191.10649	3.7
195.06526	3.7
200.04681	3.6
201.05453	7.0
203.07016	2.2
204.07977	0.8
205.08595	4.9
206.05672	3.6
207.06461	1.4
207.10132	1.2
217.08612	2.8
218.05727	6.8
219.06541	2.8
219.10139	5.3
221.08073	6.2
226.06192	0.9
231.06454	1.6
233.08084	65.0
234.08498	1.6
235.07524	0.9
235.09639	2.1
236.08293	1.1
245.08017	4.8
251.09132	5.6
262.06464	0.7
263.09186	28.9
264.07730	0.9
277.08716	1.1
279.06723	1.0
279.10028	1.3
280.07349	0.9
281.10468	4.1
291.06656	0.8
292.07254	2.0
293.08215	0.9
295.09586	1.8
305.08008	1.1
306.09006	0.8
307.09631	2.1
309.07663	0.8
319.11633	0.9
322.08401	1.0
323.08984	2.4
326.83127	0.8
331.08020	0.8
335.09409	1.1
339.12122	1.2
345.46609	0.7
346.10690	1.2
352.09308	0.9
355.11707	2.4
356.12317	0.9
357.13293	0.9
367.11880	3.6
368.12714	1.0
371.14993	1.5
372.11996	1.2
380.26678	0.7
381.13297	1.7
384.12122	1.6
387.14359	12.0
399.14392	13.2
405.15411	2.1
417.15457	72.5
418.15787	2.6
435.16373	3.7
579.20789	1.9
579.31207	0.8
605.51202	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3036
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
55.05254	1.0
55.05511	12.8
57.03435	8.3
57.07069	2.3
58.26769	0.6
67.05504	27.1
67.42988	0.6
69.03413	0.9
69.07064	16.3
70.10553	1.9
71.04980	0.7
71.08642	0.9
75.13345	0.6
79.05491	8.2
81.03412	3.4
81.07056	29.1
83.04973	1.4
83.08617	7.8
91.05475	5.2
93.07053	7.7
95.04947	1.0
95.08022	1.2
95.08604	20.4
97.06532	1.4
97.10152	3.1
98.98459	8.3
99.08088	0.6
105.07035	4.3
107.08596	3.6
109.02847	3.0
109.10158	8.0
111.08065	1.5
119.08578	3.9
121.10138	3.6
123.11673	3.6
133.10126	2.6
135.11674	1.2
137.13248	1.6
147.11681	1.5
149.13231	0.9
155.01042	3.8
161.13248	1.0
163.05980	0.8
173.02090	0.9
175.14793	0.8
179.27515	0.7
181.75630	0.7
189.16600	0.7
245.22723	1.4
261.03680	2.7
263.23682	2.3
275.41125	0.7
301.20010	2.1
335.07407	1.3
337.27350	100.0
338.27826	3.6
370.00394	0.6
425.28802	0.9
537.18842	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.05514	11.6
57.03438	6.9
57.07068	1.8
65.03939	1.2
67.05505	26.0
69.07068	12.4
69.23175	1.3
69.23573	2.1
71.08623	0.9
75.32506	0.5
79.05502	6.2
81.03427	2.7
81.07060	25.4
83.04993	0.7
83.08617	6.6
91.05482	5.7
93.07049	6.6
95.08608	19.3
95.09213	1.0
96.08976	0.8
97.06521	1.6
97.10184	3.6
98.98468	9.3
99.08071	0.6
102.37636	0.6
104.10728	1.7
105.07059	3.0
107.08589	3.5
109.02862	1.8
109.10159	7.7
111.08074	1.1
117.17896	0.5
119.08597	3.3
121.10147	2.9
123.11707	3.0
133.10110	3.5
135.11700	1.9
137.13263	0.8
147.11676	1.7
149.13246	0.9
155.01045	2.3
161.13284	1.2
163.14851	0.8
175.14812	1.1
245.22588	0.6
261.03754	2.5
263.23767	2.3
265.17361	0.6
301.20135	4.6
319.21188	0.8
335.07401	0.9
337.27365	100.0
338.27670	5.6
537.29480	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.34
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08159	1.1
69.13227	0.6
69.13623	1.5
69.38774	0.3
86.09696	1.5
104.10744	17.0
105.11093	0.4
120.09013	0.3
122.09312	0.3
138.45039	0.3
167.10628	0.3
171.27711	0.3
180.95734	0.7
198.96861	1.1
202.96080	0.3
208.66608	0.3
216.97951	0.5
317.72607	0.3
450.32599	0.3
567.22467	0.7
597.34003	100.0
598.34314	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	597.434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.46732	1.1
69.33955	1.1
69.41407	1.2
69.76908	2.7
69.77258	2.1
98.22743	2.2
101.36822	1.0
105.07037	1.1
127.78887	1.6
200.66281	1.0
205.81693	1.2
597.43427	100.0
598.43945	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	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98293	0.7
51.22478	0.8
53.03936	0.8
53.35484	0.6
58.19994	0.7
61.02931	1.6
61.66298	0.8
67.05521	0.7
68.61105	0.8
69.03416	1.5
69.10420	1.7
69.10833	3.1
72.20676	0.6
76.85192	0.7
79.05509	3.5
81.03417	13.4
85.02911	9.0
86.09719	4.9
91.05499	1.9
94.04139	0.8
95.04973	2.1
97.02888	2.8
98.23508	1.3
103.05471	1.0
103.61915	0.7
104.10731	1.3
105.07069	1.7
107.04969	8.1
111.57321	0.6
115.05426	4.8
117.07021	12.1
123.04420	3.0
124.05208	2.3
124.99985	2.8
127.03938	1.6
128.06250	1.0
128.46638	0.7
129.06970	2.4
131.08565	3.3
133.06467	1.3
140.04663	1.0
141.06903	1.6
143.04987	1.0
143.33098	0.7
144.05696	1.6
145.05020	1.8
145.06485	33.0
152.04634	1.1
153.05434	1.0
155.04916	1.1
155.06044	6.1
155.07140	1.2
156.05687	6.8
157.06497	2.0
159.08051	5.6
160.05174	0.8
161.05988	2.9
162.07632	0.9
167.07034	47.0
173.05986	55.2
174.06276	0.9
175.07579	1.9
180.08678	4.2
181.04919	1.5
183.06567	1.3
184.05128	1.3
184.07355	12.8
187.07520	6.0
190.06256	32.2
191.06958	2.8
193.08618	2.8
202.06261	4.2
203.07040	5.4
205.08604	100.0
206.08931	2.2
207.06535	2.0
217.08598	39.2
218.08934	1.1
219.08206	1.3
219.10196	3.9
223.09644	1.6
229.08507	0.9
233.07938	1.7
234.08517	1.2
235.09639	29.1
247.07515	1.2
247.09647	6.6
248.08264	1.6
263.10703	0.9
265.10724	30.7
266.10947	1.2
269.07935	1.6
271.09555	1.0
276.07535	0.8
279.10156	1.3
290.09192	1.9
291.10062	1.7
293.08008	1.3
299.09018	1.0
307.09631	1.9
308.10226	1.1
315.08606	3.7
323.12796	2.0
330.11102	6.4
331.11694	2.8
337.10538	0.9
339.12442	1.2
343.11615	0.9
351.12256	3.1
353.10092	1.1
368.12631	0.9
369.13333	1.1
371.14838	2.8
383.14877	9.3
401.16049	11.3
418.15970	0.8
505.24011	0.8
598.45374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.9
55.01868	6.3
55.05516	14.5
57.03440	3.9
61.02930	4.8
65.03951	1.6
67.05508	21.0
69.03427	3.1
69.07071	11.7
69.16621	9.5
71.05008	1.8
73.02904	1.5
79.05492	25.0
81.03418	4.5
81.07057	46.6
83.04984	5.1
83.08631	10.7
85.02894	4.4
91.03970	1.9
91.05477	22.1
93.07044	19.7
95.04968	14.3
95.08600	11.7
97.02889	2.2
97.06541	2.2
97.10155	8.0
105.07034	15.9
107.04965	9.2
107.08582	14.6
109.06537	7.5
109.10165	6.2
111.04444	2.4
111.08100	3.1
117.07018	13.7
119.04937	2.1
119.08586	26.8
121.06490	9.4
121.10150	11.9
123.08076	13.1
125.09624	7.1
128.06200	1.9
129.07019	6.0
131.08594	14.6
133.06503	4.1
133.10121	9.1
134.78230	1.6
135.08069	7.2
135.11705	5.1
137.09665	1.9
143.08580	5.6
145.10144	15.9
147.08037	14.5
147.11690	4.9
149.09604	10.0
155.08517	1.7
157.10133	5.7
159.07991	2.7
159.11707	6.7
161.09628	9.9
161.13373	2.1
163.11200	10.6
167.10545	1.5
169.10184	2.5
171.11691	4.3
173.09601	2.9
175.11212	3.1
180.09113	1.3
185.13280	4.9
187.11159	2.0
189.11191	1.8
189.12778	2.4
197.07195	2.4
199.11249	1.7
203.14258	2.1
219.13878	1.7
223.13358	3.0
227.17955	1.5
231.08684	2.0
245.19060	2.9
249.14943	3.3
255.17389	6.2
273.18503	37.4
274.18927	2.3
291.19531	92.8
292.19897	3.5
297.16867	1.5
309.16092	9.1
311.18457	2.7
319.53241	1.3
327.17200	4.1
347.22162	7.0
365.23230	49.3
366.23489	3.5
383.19855	28.5
401.20883	100.0
402.21262	5.3
411.24887	1.5
480.64603	1.6
598.39136	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30833	1.0
52.38406	1.2
53.03957	1.2
55.01861	4.7
55.05519	11.3
57.03440	3.3
57.74825	1.2
61.02926	2.4
65.03934	1.4
67.05504	17.5
69.03443	2.4
69.07073	10.4
70.16640	2.8
71.04967	2.9
79.05496	22.2
81.03415	3.4
81.07057	36.9
83.04961	3.6
83.08624	4.8
84.49485	1.1
85.02898	4.7
86.54028	1.2
91.05472	18.8
93.07042	20.8
95.04974	12.5
95.08600	11.8
97.02879	1.6
97.06534	2.2
97.10172	4.8
105.07033	16.4
107.04955	9.0
107.08607	11.9
108.70362	1.2
109.06507	4.6
109.10139	5.1
111.04468	1.8
111.08085	2.5
117.01060	2.0
117.07008	12.2
119.04920	1.7
119.08577	22.4
121.06506	5.9
121.10115	10.4
123.08082	12.4
125.09644	4.3
128.06197	2.1
129.07013	6.5
131.08571	11.3
133.00534	1.6
133.06517	2.1
133.10110	6.1
135.08069	6.3
135.11713	2.4
137.09624	2.4
142.07759	1.9
143.08566	6.8
145.00523	1.5
145.10130	13.5
147.08054	11.4
147.11684	4.1
149.09607	6.4
153.09135	1.7
155.08673	1.3
157.10133	4.6
159.08017	1.2
159.11664	4.4
161.09639	7.8
163.11197	5.8
171.10358	1.6
171.11729	3.2
173.09724	1.9
173.13298	1.4
175.11211	4.0
185.13251	3.3
189.11209	2.7
195.11772	1.4
195.79558	1.4
197.07355	1.4
199.11188	2.5
219.13992	1.3
223.13274	2.9
227.18040	2.3
237.16234	1.8
245.19006	2.9
255.17465	4.2
273.18515	25.8
281.16519	1.5
291.19528	66.5
292.19913	3.4
309.16165	5.4
315.19656	2.7
327.17276	3.7
347.22122	6.3
365.23221	21.9
383.19812	23.0
401.20901	100.0
402.21408	6.5
598.33594	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	10.6
54.52759	2.7
55.01876	11.6
57.03428	4.7
58.56077	2.6
61.02921	7.1
67.05498	3.0
68.99798	4.6
69.03424	38.9
69.37052	3.0
71.04999	6.0
71.47478	2.8
72.35207	3.0
73.02915	9.4
75.21939	2.8
79.05485	4.5
79.65798	3.3
81.03423	29.5
81.07065	10.2
85.02905	100.0
85.06541	6.6
87.00836	49.8
91.03967	5.0
93.07048	4.6
94.22960	2.8
95.08627	7.5
97.02891	52.3
97.06567	5.2
99.04454	13.6
105.01866	72.0
105.07014	3.7
107.08568	5.7
109.02880	43.5
109.06506	6.1
110.57630	2.6
117.01868	3.8
117.07063	3.0
119.08576	4.5
120.59464	3.3
121.10153	6.9
121.38219	2.7
127.03909	92.8
129.01785	3.1
131.08571	7.9
133.10149	3.4
135.11684	4.5
145.04948	43.7
145.10146	4.8
147.02917	3.1
147.11649	3.8
149.09610	3.6
157.10168	6.1
159.02870	19.6
159.11668	7.1
163.03874	20.7
169.10136	3.7
173.13278	4.0
181.12019	3.1
189.03903	4.5
213.04001	9.9
231.05006	36.8
249.06075	9.2
279.21179	5.4
297.22098	28.4
315.23190	72.5
478.91544	3.1
500.23105	16.7
538.18011	5.4
598.20349	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	598.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39581	0.4
53.03936	1.2
55.01861	1.4
55.05510	1.9
57.03439	0.9
60.06534	0.4
61.02930	1.2
65.03944	0.5
67.05508	4.2
67.21058	0.4
68.99783	0.5
69.03439	5.5
69.07079	2.1
69.14486	0.5
69.64084	0.8
69.64478	1.0
71.04995	2.4
73.02924	1.5
79.05501	3.3
81.03419	5.8
81.07057	8.6
83.04981	0.6
83.08617	1.9
85.02908	15.9
85.06547	4.9
87.00838	7.3
91.03967	0.6
91.05476	4.3
93.07045	7.1
95.04974	0.9
95.08611	6.9
97.02894	7.4
97.10175	1.0
99.04448	2.7
99.08076	0.4
105.01864	7.2
105.07032	9.6
107.08588	5.4
108.04482	0.8
109.02883	6.8
109.06526	0.7
109.10150	3.3
111.08076	1.2
117.01857	0.6
117.07017	3.2
119.08583	5.8
121.10142	3.8
123.11710	0.8
127.03918	11.4
128.06227	1.2
129.01839	1.0
129.06992	4.9
130.07820	0.6
131.08563	9.8
133.10133	4.8
135.08066	0.5
135.11714	4.5
137.09615	0.7
141.06993	1.5
142.07767	1.0
143.08563	9.1
144.09334	0.6
145.04967	5.1
145.10130	14.0
145.11224	0.9
147.02866	0.6
147.04370	0.7
147.11688	21.3
149.09612	1.3
149.13260	6.2
151.11186	1.5
155.08577	5.1
156.09320	0.9
157.10133	11.2
159.02907	3.6
159.11688	13.7
159.12953	0.9
160.12083	0.6
161.09592	0.8
161.13271	5.7
163.03932	1.5
163.11172	2.4
166.07808	0.4
167.08525	0.9
168.09268	0.6
169.10141	10.1
171.11688	7.1
173.13274	3.5
175.11230	0.7
175.14816	1.0
179.08670	0.4
181.10161	1.8
182.10889	0.4
183.11662	7.1
184.07411	0.5
185.13280	5.1
187.11182	7.9
187.14825	0.9
189.12750	3.2
193.81844	0.5
194.10954	0.5
195.11716	3.0
197.13289	7.2
198.13812	0.4
199.14830	4.0
201.12753	1.6
203.14261	0.5
209.13245	4.1
211.14862	2.6
213.04013	0.7
213.16382	11.7
214.17146	1.3
215.14369	4.6
215.17947	0.5
223.14836	7.5
225.16505	1.3
227.17865	2.3
231.04994	3.3
231.17459	0.7
237.16368	2.4
239.15503	0.9
239.17937	16.8
239.20270	0.9
240.18382	0.6
241.15804	2.3
247.79117	0.5
248.07744	1.1
249.05946	0.9
250.17093	0.7
251.17924	1.6
253.17061	0.8
253.19528	9.0
254.20174	1.4
255.21075	3.7
264.18744	0.7
270.32523	0.5
279.21066	25.8
292.93811	0.5
297.22128	100.0
298.22513	3.3
315.23190	17.0
315.26871	0.8
333.24255	1.0
373.62097	0.5
507.83090	0.5
599.26611	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01873	3.8
55.05513	0.9
57.03432	3.9
58.35377	0.8
61.02932	4.2
67.05530	1.0
68.99793	1.9
69.03429	28.6
69.07053	1.5
69.24435	4.5
71.04999	3.4
73.02911	2.8
79.05486	1.7
81.03422	14.3
81.07068	3.8
83.52099	0.8
85.02905	71.9
85.06556	2.5
87.00828	30.2
87.64024	0.9
91.05485	1.5
93.07053	3.3
93.27250	0.8
95.08620	6.3
97.02886	16.7
97.06524	1.5
98.22701	1.6
99.04449	7.8
105.01865	43.3
105.07037	3.7
107.08598	4.6
107.60201	0.9
109.02873	21.8
109.06546	1.1
109.10149	2.6
111.08080	28.5
111.08833	1.7
113.09623	0.8
117.01865	1.2
119.08575	7.2
121.10136	2.6
123.08064	7.0
123.11701	1.4
127.03913	48.0
129.01842	1.6
129.40938	0.8
131.08571	3.5
133.10144	4.0
135.08093	1.4
135.11720	2.5
135.70721	1.0
137.09631	1.2
143.08566	1.6
145.04968	12.2
145.10112	6.5
147.02966	1.0
147.08041	0.9
147.11642	5.3
149.09686	1.0
149.13287	1.7
157.10123	3.5
159.02902	4.2
159.11725	6.0
161.09651	1.4
161.13232	7.4
163.14861	1.3
169.10110	1.8
171.11722	3.0
173.13264	4.3
175.11172	1.2
175.14906	3.2
181.10048	0.9
183.11777	1.3
184.07359	2.2
185.13243	1.6
187.14841	5.6
189.03938	1.9
195.11688	1.9
197.13336	1.5
199.14792	1.9
205.15903	1.7
213.03941	6.7
213.16370	1.7
223.14737	1.5
227.14293	1.0
227.17970	1.4
231.05016	19.2
231.17470	1.0
237.02948	0.8
239.17963	7.8
241.15837	1.5
249.06033	5.3
251.18037	0.9
253.19475	2.1
255.21107	4.6
257.19083	1.4
269.19000	20.1
271.20651	4.2
273.22144	4.1
279.06357	0.9
279.21103	3.6
287.20059	1.1
297.22128	50.2
298.22568	2.6
315.23163	100.0
316.23541	3.6
333.20599	3.5
333.24234	32.5
334.24741	1.3
364.31674	1.1
405.60001	0.8
454.20602	2.0
580.26935	1.0
598.28357	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	598.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.0
55.01873	3.8
55.05513	0.9
57.03432	3.9
58.35377	0.8
61.02932	4.2
67.05530	1.0
68.99793	1.9
69.03429	28.6
69.07053	1.5
69.24435	4.5
71.04999	3.4
73.02911	2.8
79.05486	1.7
81.03422	14.3
81.07068	3.8
83.52099	0.8
85.02905	71.9
85.06556	2.5
87.00828	30.2
87.64024	0.9
91.05485	1.5
93.07053	3.3
93.27250	0.8
95.08620	6.3
97.02886	16.7
97.06524	1.5
98.22701	1.6
99.04449	7.8
105.01865	43.3
105.07037	3.7
107.08598	4.6
107.60201	0.9
109.02873	21.8
109.06546	1.1
109.10149	2.6
111.08080	28.5
111.08833	1.7
113.09623	0.8
117.01865	1.2
119.08575	7.2
121.10136	2.6
123.08064	7.0
123.11701	1.4
127.03913	48.0
129.01842	1.6
129.40938	0.8
131.08571	3.5
133.10144	4.0
135.08093	1.4
135.11720	2.5
135.70721	1.0
137.09631	1.2
143.08566	1.6
145.04968	12.2
145.10112	6.5
147.02966	1.0
147.08041	0.9
147.11642	5.3
149.09686	1.0
149.13287	1.7
157.10123	3.5
159.02902	4.2
159.11725	6.0
161.09651	1.4
161.13232	7.4
163.14861	1.3
169.10110	1.8
171.11722	3.0
173.13264	4.3
175.11172	1.2
175.14906	3.2
181.10048	0.9
183.11777	1.3
184.07359	2.2
185.13243	1.6
187.14841	5.6
189.03938	1.9
195.11688	1.9
197.13336	1.5
199.14792	1.9
205.15903	1.7
213.03941	6.7
213.16370	1.7
223.14737	1.5
227.14293	1.0
227.17970	1.4
231.05016	19.2
231.17470	1.0
237.02948	0.8
239.17963	7.8
241.15837	1.5
249.06033	5.3
251.18037	0.9
253.19475	2.1
255.21107	4.6
257.19083	1.4
269.19000	20.1
271.20651	4.2
273.22144	4.1
279.06357	0.9
279.21103	3.6
287.20059	1.1
297.22128	50.2
298.22568	2.6
315.23163	100.0
316.23541	3.6
333.20599	3.5
333.24234	32.5
334.24741	1.3
364.31674	1.1
405.60001	0.8
454.20602	2.0
580.26935	1.0
598.28357	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	598.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.6
55.05512	21.2
56.53463	2.5
57.03439	6.3
57.07071	12.8
65.03933	3.0
67.05511	81.7
68.65011	2.8
69.07068	24.5
70.06593	3.8
71.08627	5.5
79.05499	21.2
81.03452	2.8
81.07063	86.7
83.08614	20.9
85.02928	3.2
85.06573	3.3
85.10150	3.5
91.05492	17.8
92.13068	2.4
93.07049	25.7
95.08614	74.8
97.06515	5.6
97.10181	14.4
99.04482	2.8
99.08087	4.5
102.09158	3.7
104.10773	2.7
105.07011	11.1
107.08593	15.7
109.02857	5.5
109.10157	40.9
111.04501	3.4
111.08044	5.0
111.11721	6.5
119.08586	11.1
121.09347	3.8
121.10141	24.2
123.11731	18.5
125.09653	3.1
127.03899	3.1
133.10141	14.4
135.11696	12.4
137.13263	10.4
141.12799	4.4
147.11700	8.4
149.13220	16.2
151.14813	6.9
161.13252	13.9
163.14801	6.1
165.16400	15.1
175.14830	10.5
177.09166	4.3
179.17946	7.1
189.16505	3.8
189.31920	2.8
191.00098	6.2
239.82425	3.0
245.22652	71.4
256.26379	4.8
263.23724	100.0
264.23993	4.1
303.55246	2.7
337.27365	41.6
339.28940	11.1
355.28363	9.7
382.81238	3.3
563.28656	7.7
597.12939	3.0
598.28064	4.7
598.37427	5.5
615.38812	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77473	0.6
55.01860	2.9
55.05516	5.9
57.03439	8.1
57.07066	2.2
59.04992	2.4
62.06095	0.8
67.05161	0.8
67.05502	13.1
69.03425	4.6
69.06710	0.8
69.07064	10.1
70.57300	0.9
70.57632	0.7
71.04987	3.0
71.08621	4.5
73.02916	1.0
79.05486	7.5
81.06566	1.3
81.07050	23.3
83.04983	3.2
83.08617	10.6
84.05763	12.4
85.06542	4.0
87.04471	7.9
91.05482	5.4
93.07042	11.5
95.04971	2.0
95.08599	25.2
97.06518	7.8
97.10168	2.1
98.06034	2.1
98.07317	3.9
98.98472	1.7
99.04444	3.3
99.08105	3.3
103.26082	0.7
105.07040	5.6
107.08595	9.4
109.06525	3.4
109.10143	10.5
111.08074	8.9
111.28291	0.7
111.59767	0.6
113.05994	1.3
116.04696	1.6
119.08576	5.4
121.10144	8.9
123.08076	4.1
123.11680	2.7
124.01534	0.9
125.05980	0.7
125.09617	3.5
127.07580	1.9
127.11178	0.9
129.04538	1.1
129.05457	8.6
131.08543	2.7
133.10118	6.6
135.04420	0.8
135.11687	6.0
137.09610	2.1
137.13219	0.8
143.07030	2.0
143.08545	1.2
143.10712	1.0
145.10085	3.7
147.11694	6.7
149.09616	1.2
149.13237	7.3
150.21643	0.7
151.11188	1.3
151.14880	0.8
157.10136	1.0
159.11711	2.1
161.13293	2.8
163.11165	1.1
163.14740	1.5
165.12784	0.7
167.14339	2.7
169.15898	1.3
171.13837	5.5
175.14796	3.6
177.12747	1.4
177.16380	2.5
179.14330	1.9
181.15811	0.8
185.11736	4.0
185.13200	1.2
187.14838	2.9
193.15878	3.2
195.17517	1.7
197.15334	1.1
198.16159	1.7
199.75299	0.6
203.14400	1.6
205.15840	1.6
212.79901	0.6
216.06358	2.3
221.15381	2.6
223.16913	11.8
225.18456	6.3
231.15906	2.4
239.16434	2.8
240.17285	2.4
241.17926	9.1
249.18570	1.0
257.17490	16.2
267.19620	1.7
282.20685	1.4
283.21350	0.8
284.22192	1.6
297.20605	6.4
306.00754	0.7
313.16379	1.4
313.20071	30.5
314.20819	13.5
315.21646	24.0
330.19547	0.8
347.25766	0.9
349.10123	0.7
403.28662	4.3
408.79520	0.7
421.29745	2.1
436.21030	1.2
439.30588	6.2
454.22083	2.7
455.22705	2.5
456.12860	0.7
456.23520	0.9
457.31589	100.0
458.31720	5.3
501.26047	2.4
544.30145	0.9
563.91803	0.9
598.33752	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99267	0.2
53.03939	0.5
55.01868	0.4
57.03424	0.4
61.02922	0.5
67.05501	0.4
69.03426	0.7
70.06572	0.4
77.03944	0.3
77.68848	0.2
79.05483	0.8
81.03406	0.5
81.07053	0.4
85.02903	4.4
89.03925	0.4
91.05483	0.2
93.06994	0.2
95.04955	1.0
95.08604	0.5
97.02886	1.3
99.04448	0.3
105.04504	0.4
107.04951	100.0
108.05280	1.1
109.02896	0.4
109.10166	0.2
117.03370	0.7
119.40228	0.2
119.63706	0.2
121.06497	0.3
121.10144	0.2
123.04407	0.5
127.03913	3.7
129.07011	0.3
131.04910	0.2
131.08498	0.5
133.10089	0.3
135.04408	1.0
136.04781	0.3
139.03862	0.3
145.02827	0.5
145.04951	0.9
146.03221	0.3
147.04395	0.4
149.05992	3.4
149.79091	0.2
151.03900	2.9
153.01869	0.4
159.08023	0.6
163.03893	3.4
164.04199	1.0
167.07024	0.4
169.04958	15.7
173.05939	0.4
175.03984	0.3
181.04994	1.1
187.07492	0.4
189.05464	0.3
193.04861	1.1
204.07823	0.3
205.04950	0.5
207.06595	0.3
211.06004	0.7
235.05986	0.8
247.05963	0.4
249.11211	6.1
250.21622	0.5
257.08011	0.2
259.06107	0.2
261.35504	0.2
268.22729	0.4
269.22974	0.3
273.07504	0.3
275.09125	41.2
276.09631	1.2
286.23788	0.3
287.09064	0.6
287.24008	0.2
288.75992	0.2
299.09232	1.1
310.23486	0.2
317.10223	2.8
341.10199	2.0
353.10022	1.0
365.10156	0.9
371.11368	0.3
383.11160	0.6
401.12610	0.3
418.24146	0.8
419.13092	0.7
419.24472	0.5
436.25388	1.0
437.14304	0.4
437.25601	1.0
472.04239	0.2
551.48877	0.2
581.27759	0.4
598.28473	0.2
599.29120	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2501
Annotation	Mg-Protoporphyrin IX 13-monomethyl ester
Peak:m/z	Relative Intensity
51.03764	0.8
57.44527	0.7
94.47883	0.7
131.58162	0.8
143.58678	1.0
209.10704	1.0
221.10796	1.2
222.11613	1.0
223.12302	1.4
236.13199	1.4
237.13940	2.2
251.11673	1.3
251.15485	1.2
253.98096	0.9
264.12622	1.2
265.98691	0.8
271.65442	0.9
276.15070	0.9
279.14966	2.3
314.16422	1.9
325.14886	1.0
328.17972	1.1
329.18634	0.9
330.19806	1.7
336.14880	0.8
337.15045	0.8
338.16354	1.7
339.16241	3.6
340.17365	2.3
350.16385	1.7
351.16400	1.1
352.17868	1.7
353.17603	4.7
354.18436	6.8
358.19147	2.2
363.16003	2.2
364.17203	2.3
365.17700	3.6
366.18854	1.8
367.19324	2.5
368.20090	1.6
369.20724	16.2
370.20981	1.7
377.17715	1.8
378.07578	0.9
379.19421	8.6
380.20242	1.5
381.16879	2.0
382.17987	1.9
391.19641	1.4
393.16754	1.7
393.21106	1.4
394.17773	1.3
395.22745	1.6
396.19476	1.1
397.20230	7.2
400.20248	0.9
405.21475	1.2
407.18317	1.6
409.20322	3.0
410.18130	1.1
414.21924	1.1
416.22977	1.0
417.37708	1.0
419.19040	1.2
423.22021	2.5
425.19681	26.1
426.20959	2.6
437.19742	2.8
438.20618	1.1
439.21161	1.4
441.23105	2.2
444.22873	1.4
450.21188	1.1
451.21426	15.1
452.21860	2.7
453.19522	3.6
455.24792	4.4
456.25815	4.6
461.19937	2.7
462.20413	5.4
463.21545	0.9
465.22855	2.5
467.24597	3.2
468.21756	1.1
479.21222	1.4
480.21573	1.2
483.23779	3.9
484.24570	7.8
493.22797	1.4
495.23322	1.1
496.21335	1.2
497.21860	1.6
510.22287	1.4
511.23477	5.6
512.24188	38.3
513.24469	2.3
521.21747	3.1
539.22931	38.6
540.23132	2.7
555.25818	1.6
581.24329	1.0
582.22211	3.0
599.24982	100.0
600.25183	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	599.268
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64895	0.8
57.61649	0.8
86.09686	1.2
115.61816	0.9
185.04260	1.5
203.05339	3.0
235.13913	1.2
266.26575	1.1
278.65598	0.9
368.01340	0.9
405.15732	3.3
421.22211	1.8
437.21490	70.8
438.21945	2.3
560.55243	1.0
599.26691	100.0
600.27136	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	599.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.7
51.46216	0.7
60.04519	1.4
70.02953	1.7
70.06593	2.3
72.08129	1.2
72.39271	0.6
85.02922	0.7
86.09702	9.9
89.03914	2.5
91.05470	1.5
93.07050	2.0
97.02886	0.8
102.05542	7.0
103.05477	4.6
103.12322	2.0
108.96234	0.6
117.03378	8.7
120.08102	100.0
121.08407	1.2
132.10231	1.8
134.03526	0.8
135.04515	0.7
145.02841	31.7
146.06003	26.6
148.06039	2.4
149.05978	3.2
161.05957	0.7
163.03963	1.6
164.15559	0.6
174.05537	5.3
175.77655	0.6
177.05467	70.9
178.05826	1.1
186.05544	0.9
188.49863	0.7
202.09479	0.9
208.93903	0.8
216.76964	0.7
222.44110	0.7
223.06071	1.5
233.16473	1.6
243.07625	1.1
262.14252	0.8
275.10297	3.2
279.17026	75.0
280.17303	1.3
289.08176	1.6
301.04910	1.1
303.09723	2.5
311.63705	0.7
321.10825	13.9
369.66470	0.7
402.85797	0.8
512.63098	0.7
586.93079	0.8
599.15387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	3.8
53.87033	2.0
55.05507	5.7
55.63214	2.2
57.07075	5.4
59.05004	2.6
60.55755	2.2
67.05512	12.4
69.03436	8.4
69.07082	7.2
72.77802	2.0
77.83730	2.5
79.05505	14.5
81.07076	17.1
83.04991	8.4
83.08630	5.4
85.06564	4.3
91.05482	20.1
93.07041	29.1
94.06059	2.5
95.04967	13.2
95.08633	15.6
97.06564	4.8
100.61784	2.6
103.05473	2.8
105.07038	35.9
107.08589	26.6
109.06532	11.9
109.10185	8.8
114.12614	2.2
117.07025	8.6
119.08586	26.9
121.06532	8.0
121.10146	26.9
123.08078	11.6
125.09587	3.2
128.06226	6.6
129.07025	8.9
130.07784	2.5
131.08548	16.1
133.06485	2.5
133.10138	18.7
135.08037	11.6
135.11726	5.4
137.09645	9.7
139.07536	2.2
141.07033	5.7
142.07788	11.4
143.08575	21.4
143.27995	2.4
144.09386	2.8
145.06558	2.8
145.10141	24.0
147.08029	11.4
147.11705	5.2
149.09621	13.0
151.07582	10.2
155.08594	10.3
156.09361	7.1
157.10153	24.8
158.10948	3.7
159.08119	9.7
159.11725	13.9
161.09641	8.1
161.13284	5.5
163.11249	7.3
165.07060	4.6
165.09113	16.0
167.08615	3.3
167.10663	15.5
168.09340	3.5
169.10141	15.0
170.10945	3.7
171.11732	11.3
172.12489	2.6
173.09648	6.2
173.13312	8.0
175.11270	5.5
175.14917	4.1
178.07887	2.8
179.08585	3.8
180.09317	3.0
181.10223	5.1
181.12263	6.2
183.11713	13.5
185.09671	4.4
185.13347	7.2
187.11316	6.8
187.14787	4.0
189.12801	7.3
192.09335	2.6
193.10175	2.6
194.10913	3.0
195.11717	11.5
196.12523	2.6
196.49771	2.5
197.13376	8.2
199.11346	3.7
203.14383	6.2
207.11777	9.9
207.13849	6.4
209.13321	8.8
211.14752	4.8
212.81903	2.6
215.14336	3.6
220.12543	4.9
221.13275	6.5
221.15436	32.2
223.14902	5.3
225.16373	2.6
227.14380	3.3
233.13205	2.9
233.15358	32.0
235.14873	5.0
247.14830	3.2
251.14400	3.2
259.14813	2.9
263.17844	2.9
269.19110	2.7
281.19119	5.9
287.20032	4.9
296.86295	5.4
299.20096	4.3
377.24820	2.4
454.91882	2.8
488.95999	3.0
489.33902	2.4
507.34778	64.2
508.35278	3.3
530.65900	2.4
535.18713	3.9
557.17169	16.3
581.39532	4.4
599.09503	2.6
599.18268	8.5
599.40991	100.0
600.41187	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	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02435	0.8
55.01876	1.7
55.05515	2.7
57.07076	5.6
59.05001	2.1
65.03931	1.1
67.05494	9.5
69.03422	7.5
69.07071	4.2
79.05484	8.5
81.07053	13.2
83.04991	3.4
83.08626	2.2
85.06550	3.6
91.05489	15.6
93.07048	23.3
94.08595	0.9
95.04977	8.1
95.08598	13.1
97.06544	3.3
103.05469	1.4
105.04521	1.0
105.07029	24.8
107.08585	14.5
109.06528	7.9
109.10165	6.1
111.08054	1.1
115.05492	1.2
117.07014	4.7
119.04977	1.6
119.08575	24.4
119.09418	1.5
121.06501	4.5
121.10144	16.3
122.07343	1.2
123.08072	14.1
123.11721	1.7
125.06013	3.4
128.06262	3.1
129.07022	4.4
129.87625	0.8
130.07829	1.9
130.15186	0.8
131.08572	11.9
133.06493	1.8
133.10132	12.1
135.08035	9.8
135.11742	3.0
137.06013	1.2
137.09608	13.5
139.07555	1.6
139.11096	0.8
141.07011	1.8
142.07747	6.2
143.08553	11.5
144.09305	1.3
145.10124	18.0
145.11217	1.3
147.08051	22.0
147.09148	1.5
147.11676	5.6
148.08875	0.8
149.09616	5.2
151.07527	10.0
155.08539	5.2
156.09428	5.8
157.10110	19.1
158.10831	1.1
159.08104	3.6
159.11700	10.9
160.08846	1.3
161.09618	5.7
161.13254	7.3
163.11147	7.3
165.07019	1.8
165.09113	47.0
166.09486	0.8
167.08601	2.2
167.10669	6.5
168.09383	2.0
169.10121	8.1
170.10942	3.0
171.08130	1.1
171.11693	9.4
173.09639	5.0
173.13275	3.8
175.11185	3.8
175.14836	2.7
177.09175	1.7
179.08554	2.0
180.09369	0.8
181.10216	4.3
181.12180	7.8
182.10918	1.6
183.11700	12.0
185.13243	7.7
185.14589	0.8
186.10434	0.9
187.11226	2.4
187.14870	2.0
189.12794	3.4
191.10699	3.7
191.14275	1.5
192.09233	0.9
193.10152	1.5
194.10910	2.1
194.93399	0.9
195.10252	0.9
195.11679	4.9
195.13333	0.9
196.12540	2.7
197.13292	4.6
198.10576	0.9
199.11157	3.2
199.14925	1.7
201.09157	1.2
201.12825	2.2
203.14311	18.6
207.11696	2.6
207.13864	5.3
208.00246	0.9
208.12498	1.3
209.13351	4.6
209.15143	1.1
211.11267	1.7
211.14836	5.4
213.12798	3.4
213.16281	1.1
215.14241	1.5
218.62099	0.7
219.11830	1.0
220.12579	1.4
221.15361	100.0
222.15810	1.7
223.11176	1.3
223.14854	2.6
225.12833	3.1
227.14409	1.9
227.18051	1.0
229.15929	2.2
231.13844	1.0
233.15352	4.0
233.43422	0.9
235.14888	2.1
235.17070	1.3
236.15298	0.8
237.12817	1.1
237.16379	1.7
240.15163	1.3
243.96602	1.3
246.14128	1.4
247.14795	1.2
247.16942	15.8
250.96031	1.2
251.14326	1.0
253.15941	1.8
261.16327	1.2
261.97763	0.9
263.18140	1.5
265.15775	1.2
269.18985	1.4
271.16919	1.2
275.99286	1.0
281.19022	1.9
286.19296	2.0
287.20166	7.6
299.20044	5.8
301.21759	2.9
311.20233	2.8
313.21774	2.2
325.21924	1.5
327.23294	3.0
365.24796	4.8
373.25262	1.2
391.26254	9.5
413.26794	1.5
419.29520	3.6
427.28552	6.3
441.29877	1.1
445.35861	1.0
465.19089	2.5
507.34683	10.4
519.34668	1.8
538.19421	8.0
539.22522	4.2
581.39148	2.7
599.11707	14.7
599.40900	74.8
600.11493	1.8
600.40863	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	599.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.1
59.05000	3.3
65.03965	3.5
67.05507	10.6
69.03445	4.7
69.07084	5.0
69.46206	6.1
69.46603	6.2
74.24332	2.4
75.46935	2.8
77.41730	2.8
79.05499	13.9
81.07046	16.4
83.05016	10.7
85.06555	6.6
86.21079	2.9
91.05464	21.7
93.07053	22.6
95.04983	11.4
95.08604	15.1
97.06548	6.2
103.05463	4.5
105.07040	33.5
107.08597	28.5
109.06549	8.4
109.10165	12.4
111.08093	4.7
115.05506	3.7
117.07021	5.0
119.08572	31.3
121.06518	8.7
121.10145	29.9
123.08081	12.9
125.05998	3.5
125.09629	3.3
128.06210	5.3
129.07068	9.5
131.08574	16.1
133.10129	18.5
135.08086	10.0
135.11717	5.9
137.09645	6.8
142.07811	8.6
143.08577	24.4
144.09398	4.9
145.06418	3.7
145.10135	22.2
146.07370	2.9
147.08075	13.7
147.11772	4.9
149.09666	11.8
151.07576	12.9
155.08604	10.1
156.09404	9.8
157.10152	25.1
159.08128	8.7
159.11685	14.4
161.09680	7.1
161.13263	4.9
165.07010	3.1
165.09114	15.4
167.08595	6.1
167.10687	14.9
168.09393	3.2
169.10165	12.1
170.10963	3.3
171.11736	14.4
173.09689	8.2
173.13391	8.4
175.11296	6.9
175.14818	3.7
179.08539	5.7
181.10185	9.0
181.12265	5.5
182.10944	5.8
183.11766	13.8
184.12471	3.6
185.13277	8.2
187.11180	3.8
189.12712	4.5
191.14319	4.0
194.10904	3.0
195.11792	9.4
197.13351	10.0
199.14784	4.8
203.14337	6.0
207.11790	7.7
207.13902	8.8
208.12617	4.2
209.13249	6.6
215.14314	4.4
218.10904	3.9
220.12399	3.9
221.13235	9.6
221.15442	31.8
222.13673	3.4
223.14844	6.4
225.12764	3.9
230.08472	3.2
233.13286	5.1
233.15300	17.4
235.14891	5.5
257.19061	3.3
259.14816	4.2
279.17233	3.4
281.19098	4.5
283.21594	3.4
292.41931	3.2
302.42740	3.0
312.20923	3.0
340.02170	3.2
365.24725	4.5
489.33496	4.8
507.34680	45.8
508.34784	4.4
535.18933	3.6
549.69397	3.6
571.25385	4.5
581.39960	6.6
599.26050	5.3
599.40985	100.0
600.41479	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	599.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49028	0.8
55.05515	4.3
57.07072	8.8
59.05005	3.9
67.05511	9.4
69.03434	9.7
69.06702	0.9
69.07072	4.7
69.67755	1.6
69.68104	2.9
75.36472	1.2
78.69218	1.0
79.05494	10.7
81.03387	1.0
81.07052	15.6
83.04985	3.7
83.08633	2.2
84.91191	6.7
85.06543	4.7
86.09725	1.1
91.05478	15.8
91.05989	1.6
93.07047	23.9
95.04980	9.1
95.08609	14.6
97.06525	3.3
103.05463	1.4
105.04565	1.5
105.07031	26.3
107.04949	1.0
107.08593	16.3
107.09266	1.7
109.06548	5.2
109.10186	6.8
111.08066	1.8
115.05479	1.8
117.07014	6.0
119.06039	1.2
119.08580	30.4
121.06547	4.9
121.10155	17.7
122.07278	1.1
123.08054	13.4
123.11736	1.2
125.06030	3.3
125.09630	1.3
128.06233	3.2
129.07025	4.6
130.07726	1.7
131.08580	10.9
133.06496	2.9
133.10129	14.9
134.11028	1.0
135.03249	1.6
135.08028	10.1
135.11652	5.1
137.06065	1.1
137.09622	15.8
139.07587	1.9
139.11307	1.4
141.07033	3.2
142.07761	7.0
143.08566	12.8
144.09375	3.6
145.06561	1.5
145.10135	17.8
147.08051	27.0
147.09148	1.8
147.11696	4.3
149.09610	5.2
151.07576	10.2
155.08588	7.2
156.09373	5.2
157.10120	20.5
158.10774	1.5
159.08078	4.3
159.11697	8.9
161.09624	6.5
161.13278	5.8
163.11185	8.3
165.07060	2.5
165.09122	50.9
166.09392	1.2
167.08600	2.7
167.10663	6.9
168.09332	3.4
169.10112	8.3
170.10956	3.9
171.08031	1.4
171.11708	10.6
172.12544	1.2
173.09656	4.1
173.13307	4.0
175.11206	3.0
175.14833	2.7
177.09142	1.8
177.12729	1.9
179.08623	2.6
181.10182	4.8
181.12196	8.6
182.10942	3.2
183.11685	12.9
185.13240	6.8
187.11220	2.9
187.14908	3.3
189.12692	5.1
191.10721	2.9
191.14366	2.6
193.10182	2.8
193.12119	1.2
194.10866	1.8
195.11696	4.8
195.13591	1.0
196.12430	1.3
197.09514	1.7
197.13252	5.5
199.11234	1.7
199.14856	1.9
203.14319	16.1
207.11749	3.5
207.13853	5.2
208.12492	1.8
209.13306	5.3
209.15146	1.5
210.13966	1.4
211.11192	2.3
211.14841	6.4
213.12801	2.8
215.14282	1.9
219.11743	1.4
220.12444	1.2
221.13419	3.8
221.15369	100.0
222.15829	2.0
223.14870	2.8
225.12788	2.0
225.16328	1.5
227.14317	2.6
229.15956	2.7
231.13815	1.2
233.13379	1.7
233.15308	6.7
235.14848	1.9
237.16409	1.5
239.14468	1.2
247.16940	17.7
251.14215	1.4
251.18060	1.1
271.17017	2.0
279.17499	1.1
281.18909	1.8
285.18616	1.3
286.19257	1.7
287.20041	7.3
299.20206	5.6
301.20050	1.6
302.20447	2.5
303.20053	10.7
311.20230	1.9
313.21686	2.0
325.21411	1.7
327.23343	2.6
347.23740	1.5
364.23541	1.3
365.24780	4.1
377.23984	1.4
379.25607	1.1
391.26300	9.6
413.27228	1.3
419.29526	4.4
427.28394	7.7
507.34625	10.7
519.34686	2.9
525.34186	1.0
539.22217	1.3
539.29395	2.6
581.39972	3.6
587.80414	1.2
599.26489	8.2
599.40894	83.5
600.41260	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.7
60.92794	0.6
65.03931	2.2
67.05498	1.1
69.03423	0.6
69.38042	2.0
74.43299	0.5
75.04485	3.6
77.03918	0.6
78.04713	2.4
79.05502	2.6
79.41951	0.6
81.07049	0.7
85.02894	2.0
87.40087	0.5
89.03894	1.1
91.05479	9.2
93.03412	9.6
93.07045	4.4
95.04977	3.9
96.74809	0.5
97.06505	1.6
99.52177	0.6
103.05466	5.0
105.03423	0.6
105.04504	1.6
105.07022	1.9
106.04178	21.3
107.04948	1.5
109.06508	0.5
117.03354	0.6
117.06989	0.8
118.04155	0.6
119.04943	1.4
121.06509	25.1
123.04430	1.2
123.08083	0.7
125.05997	7.0
131.04965	2.7
132.05702	1.0
133.06456	2.1
134.03638	4.5
135.04366	0.7
137.05986	3.4
138.06752	1.6
139.07567	1.9
145.02859	1.5
148.05196	2.7
149.05981	37.0
151.07509	1.6
153.05472	1.1
153.09102	10.6
161.05986	2.5
162.03043	0.7
163.03931	0.8
163.07533	1.2
166.06381	1.1
167.07028	1.6
176.04660	0.8
177.05478	24.5
178.05913	0.8
181.08604	18.1
191.01579	0.6
191.07040	8.4
192.07744	2.0
193.08621	3.9
209.08092	100.0
210.08469	1.5
223.04237	0.6
240.21938	0.5
251.09155	9.2
281.04800	0.8
313.07373	4.2
317.24445	0.6
337.74493	0.7
369.12949	1.0
383.14767	0.7
401.15973	1.5
411.14963	0.6
424.24454	0.5
485.20004	0.6
600.27411	0.7
601.27466	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
65.03945	1.4
67.05507	1.1
68.96763	0.5
68.99796	7.6
69.03439	0.9
70.06586	0.9
70.45259	0.9
72.08154	0.8
78.04707	0.5
79.05510	4.2
81.03464	0.6
84.08157	0.7
85.02917	1.1
86.09686	0.6
89.03906	0.9
91.05482	17.3
95.04959	3.2
97.06510	0.8
103.05464	2.3
105.03391	1.3
105.07022	2.1
107.04974	4.3
109.06493	1.6
111.04436	1.4
115.05453	0.8
117.03341	3.6
118.04173	0.7
119.04951	15.8
120.02028	0.6
121.02891	2.7
121.06509	2.5
122.03644	0.6
122.79837	0.5
123.04436	0.8
123.08045	0.8
124.05222	1.1
125.06008	2.6
127.03911	0.7
129.07045	0.8
130.04181	0.9
131.04936	3.3
131.08554	0.9
133.02826	2.1
133.06511	3.3
134.03621	2.2
135.04417	9.7
136.05167	0.9
137.05978	9.0
139.07564	4.6
145.02850	1.7
145.06586	0.8
146.03548	0.7
147.04408	19.8
148.04848	0.5
149.06001	2.2
151.07561	4.9
152.04724	0.6
153.05464	1.9
159.08067	1.0
161.05977	7.5
162.03145	1.3
162.06760	6.8
163.03908	18.0
163.07487	2.2
164.04541	0.5
165.05464	0.7
167.07043	7.9
175.03929	0.8
175.07602	0.6
177.05522	2.5
179.07033	18.5
180.04166	6.4
180.07576	0.7
181.04933	2.1
181.41331	0.6
182.05307	0.8
187.07523	1.2
191.07028	0.7
195.06522	9.6
203.49380	0.5
204.10207	1.3
205.08495	0.7
207.06551	1.3
207.70190	0.6
208.03621	1.9
209.08064	1.0
223.06017	100.0
224.06355	1.8
225.07645	1.1
227.09215	0.6
233.08153	0.8
233.11598	0.9
249.07541	1.9
249.11234	10.5
250.14398	0.7
261.07544	0.7
279.98303	0.6
292.20267	0.7
309.83606	0.6
353.10226	5.3
371.11240	4.1
375.14468	0.7
385.12836	2.8
403.13803	0.8
438.24139	0.6
600.28876	3.5
601.18494	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	600.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.2
61.83845	1.2
65.03930	1.2
68.99794	7.6
69.09418	5.8
69.09838	3.9
70.06613	1.6
79.05494	3.9
84.68758	1.3
85.02897	2.5
86.09681	1.9
91.05479	16.6
91.81876	1.4
93.51025	1.2
95.04952	1.9
103.05466	4.2
105.03356	1.7
105.07040	2.7
107.04945	4.3
117.03413	2.2
119.04950	15.9
121.02877	1.5
121.06508	3.4
125.05986	2.3
131.04927	10.2
133.02808	1.9
133.06473	2.7
134.03670	2.5
135.04419	7.9
137.05981	11.2
139.07553	3.8
147.04395	12.6
149.06006	2.4
151.07542	5.8
153.05473	2.5
161.05971	10.0
162.06744	6.1
163.03918	17.9
163.07529	15.4
164.04678	1.5
167.07013	3.6
170.77914	1.2
177.05435	2.4
179.07033	17.6
180.04190	5.7
181.05081	1.2
194.14531	1.4
195.06512	8.7
208.03732	2.1
209.08087	1.7
223.06007	100.0
224.06396	2.8
237.07381	1.4
249.11235	5.3
274.41058	1.6
296.95108	1.3
353.10272	7.6
371.11325	3.3
385.12653	4.8
599.43866	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	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16747	0.3
50.86605	0.3
53.93076	0.3
55.01872	0.3
57.03415	0.4
60.10735	0.2
61.02901	0.4
67.05498	0.5
69.03417	1.3
70.06585	0.5
79.05477	0.5
81.03432	0.3
85.02926	2.7
89.75661	0.3
91.05476	1.4
95.04955	0.3
97.02875	0.9
105.07024	0.8
107.04954	16.8
108.05295	5.2
115.05443	0.8
115.69836	0.3
116.06219	0.4
117.03405	0.3
117.07031	0.6
123.04426	0.4
127.03914	0.7
128.06206	1.8
129.07007	5.6
131.08566	6.0
133.06497	1.1
133.10147	0.6
141.07001	2.5
142.07762	0.5
143.08559	1.5
144.05682	2.2
145.04997	0.6
145.06477	1.5
146.07214	0.8
147.04436	0.7
147.08066	0.4
149.06030	0.7
150.06348	0.5
151.03938	0.7
153.07047	0.5
155.06032	0.5
156.05707	0.4
157.06493	2.7
158.07227	0.4
159.08049	10.7
160.08528	0.3
161.05981	0.7
161.09642	2.9
162.07570	0.6
163.03868	1.1
164.04294	0.4
167.07065	2.2
169.04958	2.1
169.07617	1.1
170.05324	0.7
170.07289	2.5
171.08070	2.6
172.05220	0.6
173.05966	1.7
174.06766	0.9
175.07526	0.6
178.06267	0.5
180.08646	1.0
186.06790	0.4
187.07527	8.2
188.08319	0.5
189.09113	3.6
191.06984	0.9
191.48601	0.3
199.07524	1.3
203.07028	1.4
204.07819	5.0
205.08574	0.9
206.09398	0.6
207.10182	0.6
216.07817	1.1
217.08575	0.6
218.09407	0.7
219.10176	2.5
221.11658	1.7
231.10161	3.1
234.09006	0.4
237.11275	0.8
244.20239	0.3
249.11217	100.0
250.11569	2.1
255.51010	0.3
264.96680	0.4
267.12289	1.8
274.89825	0.4
275.09131	4.1
276.09503	4.3
318.10492	0.6
342.10638	0.4
402.23859	0.4
420.25418	0.4
438.25916	0.4
600.28778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.5
62.47408	0.3
67.05492	0.3
70.06593	0.4
70.25634	0.9
77.10215	0.3
81.03407	0.3
83.08607	0.8
85.02896	0.6
86.09692	0.7
91.05476	1.7
97.02893	0.4
98.22746	0.5
100.07608	0.8
100.11267	2.8
101.11587	0.9
103.05453	0.7
105.07020	0.7
107.04942	1.1
111.04431	1.4
115.05460	0.9
117.06992	0.8
119.04870	0.3
121.14268	0.3
128.06215	1.3
128.07066	1.2
129.07007	4.5
131.04915	1.4
131.08551	5.9
133.06490	0.9
133.10136	0.6
137.06001	0.8
140.07101	0.4
141.06995	1.7
142.07797	0.6
143.08528	0.9
144.05676	1.9
144.60641	0.3
145.06482	1.3
145.10077	0.3
146.07239	0.7
147.04390	0.9
147.07942	0.4
153.06987	0.7
157.06491	3.2
158.07237	0.6
159.08046	10.3
160.05138	0.4
161.06076	0.4
161.09595	2.4
163.07507	1.2
167.07042	1.4
169.06378	0.6
169.07602	1.2
170.07297	1.6
171.08017	2.1
172.05234	0.9
173.05975	1.3
173.09521	0.4
174.06734	0.6
175.07532	1.4
178.06227	0.5
182.15396	2.3
183.15712	1.6
185.05722	0.4
187.07547	7.7
188.08363	0.4
189.05415	0.4
189.09073	3.9
191.06964	0.7
198.06772	0.7
199.07529	1.5
201.05519	0.4
201.09102	0.4
203.07001	1.1
204.07793	4.6
205.08533	0.8
206.09497	0.5
207.10248	0.4
209.16394	0.3
210.14902	3.0
211.15184	1.4
216.07845	1.3
218.09360	0.6
219.10112	2.1
221.11697	1.4
223.05951	1.2
231.10170	3.1
231.70236	0.4
233.11702	1.2
237.11162	0.7
249.11209	100.0
250.11481	2.1
251.12781	1.6
267.12292	2.8
454.34750	0.5
581.40839	1.3
582.39789	1.3
583.39496	0.5
599.41980	3.0
600.42542	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	600.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
69.03403	0.4
69.14037	0.5
69.14436	1.7
77.86831	0.4
85.02898	0.5
86.03967	0.4
91.05488	0.9
98.23420	0.9
103.05442	0.5
107.04964	0.8
115.05441	0.5
119.04968	0.8
128.06232	1.3
129.07002	3.6
131.04910	1.0
131.08565	4.6
133.06505	0.7
141.06992	1.5
142.07796	0.5
143.08548	0.7
144.05681	2.0
145.06468	1.5
146.07291	0.5
147.04428	3.1
153.06966	0.4
155.06081	0.5
156.05794	0.5
157.06479	2.1
158.07217	0.8
159.08055	8.9
161.05994	0.5
161.09587	2.4
163.07570	0.4
167.07036	0.8
169.06360	0.5
169.07663	1.0
170.07278	1.6
171.08014	1.8
172.05234	0.6
173.05951	1.1
173.09564	0.5
174.06766	0.5
175.07558	0.9
179.05556	0.6
181.08591	0.5
187.07555	7.6
188.08156	0.6
189.09076	3.8
191.07104	0.6
193.08643	0.7
199.07523	1.3
201.05508	0.4
201.09114	0.5
203.07013	1.0
204.07796	3.5
204.95299	0.4
205.08640	0.5
206.09367	0.6
216.07776	1.3
219.10202	2.4
221.11742	1.3
223.06148	1.7
229.33922	0.3
231.10101	2.1
233.11674	1.1
234.08952	0.5
237.11234	0.3
249.11217	100.0
250.11510	2.5
251.12755	3.2
267.12244	4.2
578.08484	0.4
600.28113	0.6
601.14941	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67836	1.6
55.01886	1.9
70.06574	3.7
75.04478	3.5
78.04715	2.5
85.02908	2.0
86.09741	4.5
89.00105	1.7
91.05479	10.8
93.03414	11.7
93.07047	3.6
93.20084	1.9
95.04968	8.8
96.92068	2.0
97.06509	2.9
103.05471	6.2
105.07089	2.4
106.04180	22.2
107.04971	3.3
117.03395	2.1
121.06497	23.7
123.04453	2.9
125.00041	2.5
125.06001	7.2
133.06511	3.4
134.03676	3.3
137.05934	4.1
148.05164	3.1
149.05988	36.6
151.07607	2.2
153.05418	2.0
153.09132	10.7
159.47180	1.8
161.05952	6.2
167.07042	100.0
177.05470	17.3
181.08624	14.9
184.07487	9.4
193.08600	10.3
205.08781	2.0
209.08093	96.7
210.08463	2.5
211.09624	13.3
305.14847	1.9
387.14441	4.0
586.97168	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	600.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06586	0.9
64.38039	0.3
65.03927	0.9
69.03410	0.4
70.06583	0.6
71.14333	0.3
71.45567	0.5
72.07788	0.4
72.08153	6.2
75.09217	0.5
84.08145	1.9
85.02888	0.5
91.04945	0.5
91.05480	6.8
98.06016	0.3
112.11237	4.4
119.04940	20.0
129.13889	2.4
129.41747	0.3
137.05951	0.8
146.16473	1.8
147.04404	100.0
148.04759	2.6
155.11786	1.2
164.07179	0.4
185.26372	0.3
203.11813	1.0
204.10193	21.1
218.11763	6.8
221.12871	0.5
247.14357	0.6
274.19199	0.4
275.17535	3.4
292.20215	6.8
366.15662	0.5
394.22174	0.6
406.67178	0.3
421.21402	2.1
437.22867	0.9
438.23895	10.0
439.24188	0.7
454.25534	4.7
583.26428	4.6
600.29126	49.9
601.29425	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05517	2.9
56.05032	0.8
58.99577	1.7
65.03933	0.7
67.05505	14.3
67.91566	0.5
69.07073	3.2
69.79321	1.1
69.79705	1.1
71.05014	0.6
72.12788	0.5
74.00659	2.6
76.02247	1.9
79.05498	9.5
80.05003	1.3
81.03447	0.7
81.07059	6.9
83.04987	1.0
83.06100	1.3
83.08602	0.9
84.04515	5.3
85.01144	1.3
85.02930	0.8
86.00653	2.1
86.70088	0.5
87.02682	0.6
91.05469	6.8
93.07047	12.6
93.07608	1.0
94.06582	1.8
95.04981	1.6
95.08610	5.8
97.01106	1.8
97.10197	1.3
99.01427	1.5
99.05567	1.0
100.02220	1.4
105.04548	0.6
105.07042	5.5
106.06549	0.7
107.04977	0.9
107.08590	6.2
108.08096	0.5
109.06521	1.4
109.10167	3.8
111.02657	1.4
112.02184	4.3
113.00584	1.3
114.03753	4.9
116.01687	3.5
117.06988	2.6
119.08568	5.6
120.08168	0.6
121.06463	0.7
121.10168	3.8
129.06535	1.0
130.05002	1.6
131.08585	2.4
133.10139	4.1
135.08127	1.3
135.11688	2.1
136.03935	0.7
137.09641	0.9
138.03761	1.0
139.03242	0.6
139.05766	0.6
139.11201	1.9
140.05316	0.8
143.08630	0.8
144.01184	1.4
145.06168	0.6
145.10165	2.6
147.07996	0.6
147.11661	2.6
148.11148	0.6
149.09637	1.0
152.05350	0.7
153.06549	0.8
155.62178	0.5
159.11690	1.3
162.02238	1.4
162.12807	0.7
166.06819	0.5
168.08434	1.8
169.04294	1.0
171.08276	0.8
173.13318	1.3
179.04892	0.7
181.06111	0.9
185.03845	2.0
189.03391	0.9
193.06174	0.6
196.11565	3.9
203.12808	1.6
208.11569	0.7
215.04875	2.2
216.05678	2.0
224.11050	16.0
224.13222	0.8
225.09497	0.6
231.04353	3.3
233.05974	1.1
242.12120	26.4
243.12427	1.3
257.18918	0.7
269.10849	0.9
270.10223	0.8
272.82675	0.6
275.20053	3.9
282.15240	3.3
293.21014	1.0
299.14304	0.9
308.09256	0.6
323.20578	0.7
323.75018	0.5
324.19913	0.9
333.18799	2.2
343.13412	0.8
344.14001	6.1
345.14844	1.1
350.21469	11.3
351.19894	0.7
368.22513	7.8
384.16992	1.3
385.18155	0.6
407.23581	1.1
423.38245	0.7
453.24191	100.0
454.24405	4.0
525.26324	5.6
582.28156	1.4
600.29712	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	600.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	8.3
55.01870	7.5
57.03441	6.2
67.05517	8.1
69.03432	14.1
71.04992	7.0
79.05502	8.7
81.03434	20.6
81.07049	10.0
85.02907	42.3
85.06564	13.3
87.00841	20.4
91.05490	5.2
93.07046	8.0
95.08600	9.3
97.02901	25.5
99.04478	6.0
105.01862	20.6
105.07046	10.0
107.08626	12.8
109.02882	26.7
109.10154	8.1
119.08577	3.7
119.84683	3.5
121.10168	6.6
127.03924	40.8
127.07594	4.3
128.31317	3.3
129.01817	3.9
133.10202	5.2
135.11673	3.8
145.04945	19.6
147.11678	4.3
148.19911	3.2
149.13252	7.0
159.02931	12.0
159.11714	4.7
161.13249	5.5
170.41464	4.2
173.13298	6.1
175.14792	4.7
184.07433	4.9
227.17918	5.3
228.20010	3.4
229.19547	12.2
231.05049	11.8
233.06511	4.0
271.20581	4.4
289.21686	20.9
317.21106	100.0
318.21466	3.7
350.22379	3.6
453.24142	8.1
565.26111	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	600.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05041	0.9
57.28835	0.4
58.06596	1.1
59.07368	0.5
60.08167	5.9
67.05506	3.1
69.07063	1.1
69.12263	0.5
69.12731	1.6
69.71207	0.5
69.71517	0.5
71.07372	4.3
79.05500	1.2
81.07056	2.4
85.28389	0.4
86.09712	20.1
93.07054	1.4
95.08609	1.4
98.22649	0.6
104.10746	100.0
105.07042	0.5
105.11076	1.0
107.08601	0.6
119.08619	0.6
125.00016	2.5
127.83885	0.4
131.01941	0.4
146.96883	0.4
146.98036	0.5
147.81490	0.4
156.97488	1.6
163.01523	0.5
164.97981	0.6
166.58473	0.4
174.98520	0.7
181.02618	0.9
182.99048	8.7
184.07318	0.7
194.99063	1.1
198.98643	0.6
201.00089	8.7
206.00681	0.6
210.94685	0.5
213.00070	0.9
221.00633	1.3
224.01730	0.6
225.00131	2.0
227.01559	0.6
239.01631	5.8
240.10001	4.3
242.06335	0.5
243.01149	3.4
255.01222	0.5
262.03336	0.5
265.03336	0.8
266.06470	1.8
268.00427	0.9
284.07458	3.9
301.20105	4.8
317.19418	0.5
319.21387	2.6
322.01556	0.6
335.26089	0.5
342.06290	0.4
342.23059	0.6
455.20432	1.4
481.22043	1.0
484.26709	3.0
500.31424	0.7
502.28140	0.5
540.29572	3.3
582.30237	1.0
600.31537	7.0
601.31525	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17438	0.6
55.05495	1.3
56.05045	0.7
57.03449	0.7
58.06594	1.6
60.08165	6.2
61.87672	0.5
67.05509	4.1
69.07062	1.4
71.07379	5.0
71.62405	0.7
79.05495	2.6
81.07048	2.5
86.09710	24.5
91.05474	0.8
91.88651	0.7
93.07045	1.9
95.04961	0.8
95.08604	2.9
97.06505	0.6
102.09177	1.5
104.10743	100.0
105.07037	1.1
105.11069	0.9
107.08607	0.9
109.10169	1.0
119.08606	1.0
121.10147	0.8
121.55224	0.6
125.00015	3.1
146.98203	2.2
156.97498	2.0
164.97957	0.7
174.21097	0.7
174.98518	1.4
181.02650	0.9
182.99025	10.2
184.07239	1.0
201.00095	9.0
206.00433	0.7
213.00101	1.3
221.00601	1.8
225.00137	1.9
239.01680	6.2
240.09966	4.4
243.01163	3.8
262.03308	0.9
266.06409	2.1
268.00504	1.2
284.07318	3.4
301.20172	5.8
319.21277	2.8
335.25766	0.8
421.19788	0.9
437.19522	0.7
444.92169	0.7
455.20639	2.7
479.21573	0.7
481.22986	3.0
484.26801	2.8
500.31302	1.2
540.30096	8.0
582.30188	1.3
600.31409	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	600.325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.3
56.04995	0.8
57.07078	5.6
58.06614	0.8
60.08161	4.5
62.73541	0.9
67.05501	2.7
69.03422	1.1
69.07067	1.4
69.15842	4.6
71.07380	4.7
71.08636	2.7
73.88382	0.7
79.05512	1.0
81.07068	4.1
83.08641	2.0
85.10184	2.0
86.09708	24.9
91.05488	3.1
93.07053	2.7
93.57361	0.8
95.04987	1.7
95.08604	3.8
98.23534	1.8
104.10747	100.0
105.07012	2.3
105.11104	1.4
107.08600	2.1
108.75231	0.7
109.10177	2.0
113.45144	0.8
117.07023	0.8
119.08596	2.9
120.08885	0.9
121.10143	3.3
123.08038	1.8
129.06960	1.2
131.08559	1.4
133.10129	1.5
135.08046	1.7
135.11621	0.9
142.07793	1.3
143.08528	1.4
145.10060	1.8
146.10548	0.8
146.98187	18.6
147.08081	1.1
156.09268	1.0
157.10164	2.2
159.11644	1.8
161.09599	1.0
163.11134	1.3
165.09161	3.5
167.10655	1.9
171.11676	1.2
173.13254	1.0
176.99197	1.0
181.10101	1.0
181.12257	1.2
183.11671	0.9
191.10696	1.0
203.00807	10.9
203.14333	1.0
206.05621	1.0
213.24792	0.8
221.15314	5.6
222.15710	2.8
233.15346	0.9
262.08240	10.1
313.27292	9.5
437.20441	33.6
438.20206	0.9
453.53522	1.0
459.24841	32.2
460.25201	0.9
515.22064	1.1
518.32202	67.8
519.32385	3.5
551.89990	1.0
599.40106	1.0
600.30927	8.5
600.41101	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	600.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01863	3.0
55.05518	1.6
57.03434	3.5
58.99618	1.4
59.04989	1.3
61.02933	2.3
64.44656	1.2
65.03939	1.2
65.33604	1.3
67.05505	5.9
69.03429	19.5
69.07048	2.5
70.08920	3.9
70.55313	1.2
71.04983	3.0
73.02921	3.0
76.02214	4.6
79.05482	3.5
81.03422	11.1
81.07053	12.6
83.08605	3.4
85.02908	47.9
85.06536	12.0
87.00829	25.4
91.05470	4.3
93.07037	10.2
95.08593	12.3
97.02883	16.7
97.10124	1.3
99.04452	5.1
99.08093	2.8
105.01864	32.6
105.07024	11.8
107.08598	12.0
109.02871	11.1
109.06519	1.6
109.10163	8.1
111.08075	20.3
117.07040	3.1
118.98125	1.3
119.08604	8.8
121.10143	9.0
127.03915	45.8
129.07013	1.5
131.08545	9.9
133.10144	6.6
135.11710	9.1
137.09775	1.4
143.08553	5.5
145.04977	11.4
145.10126	10.7
147.11697	16.6
149.09659	1.9
149.13309	6.5
149.14383	1.6
157.10155	4.8
159.02913	4.0
159.11652	13.2
161.13254	10.4
162.02264	2.1
163.11235	1.8
165.12740	2.2
169.10237	1.9
171.11681	9.9
173.13234	7.3
175.14825	3.9
179.04822	5.7
185.13258	6.2
187.14803	4.8
189.03972	1.3
189.12767	5.0
197.13373	2.7
199.14845	6.5
201.16321	1.7
203.14279	1.8
211.14807	4.9
213.03979	4.2
213.16313	2.1
215.17886	4.2
217.15916	4.8
225.16290	6.1
227.17911	1.5
231.04996	26.3
239.17970	2.5
241.19504	3.6
249.06114	10.6
253.19594	4.8
255.21048	8.7
257.22617	4.8
271.20523	9.6
275.20251	2.3
281.22641	48.1
287.41602	1.4
299.23691	100.0
300.24017	3.1
317.24734	75.3
318.25098	1.7
335.25827	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40924	3.7
53.03956	7.6
55.01872	6.6
55.05516	5.4
67.05505	11.2
69.03426	24.8
69.34679	5.5
69.34972	21.7
73.02895	3.4
79.05486	5.5
81.03423	17.0
81.07056	25.7
85.02905	67.4
87.00823	28.8
91.05489	5.8
93.07053	15.6
95.08609	30.8
97.02926	21.0
97.81563	3.9
99.04474	13.9
105.01861	50.8
105.07045	16.8
107.08593	12.2
109.02889	20.1
109.06551	4.3
109.10179	11.3
110.27998	4.0
119.08596	14.1
121.10143	7.5
127.03918	47.2
131.08586	15.3
133.10141	11.0
135.08076	4.7
135.11714	11.0
138.97440	3.8
143.08534	7.3
145.04942	23.6
145.10144	18.3
147.11713	12.1
149.09619	31.6
149.13266	11.7
157.10194	12.6
159.02908	8.8
159.11711	9.1
161.13344	9.1
171.11656	9.0
173.13304	7.8
175.11205	6.1
175.14841	6.8
177.16441	3.8
183.17542	3.9
185.13281	5.2
199.14928	7.5
211.14973	7.2
213.16393	5.5
215.18044	4.6
225.16364	6.1
231.04980	24.9
239.17984	4.2
241.19562	11.4
249.06136	8.8
255.21117	8.5
281.22577	53.3
299.23700	100.0
300.24078	5.4
301.25031	4.7
317.24753	25.6
342.32602	4.7
527.70496	5.7
600.26910	33.7
601.27490	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
55.01888	3.2
55.05511	17.1
57.07075	12.2
59.05002	3.9
59.83684	2.7
65.03957	4.2
67.05510	33.0
69.03416	18.5
69.07069	13.2
69.23123	14.7
69.35956	2.9
71.04998	5.5
74.22874	2.8
76.46616	3.1
79.05486	31.1
81.07058	38.5
83.04995	17.1
83.08617	8.7
85.06534	8.0
89.06043	7.9
91.05479	51.9
93.07050	73.9
95.04961	23.9
95.08614	41.6
97.06564	10.3
103.05487	4.8
104.29263	3.1
105.04532	5.3
105.07027	91.4
106.07836	4.1
107.04925	4.2
107.08591	64.5
109.06497	21.8
109.10149	21.6
111.08071	5.8
115.05466	8.7
117.06987	21.9
119.04919	3.5
119.08587	79.2
119.09425	5.8
121.06504	19.7
121.10149	46.9
122.07301	4.3
122.10522	3.1
123.08075	34.2
123.11752	3.7
125.05994	6.9
125.09639	7.4
125.74981	2.6
128.06195	13.3
129.07018	24.1
130.07777	8.5
131.08568	43.8
132.09364	4.1
133.06488	9.8
133.08609	5.1
133.10126	53.7
134.10854	3.2
135.08034	29.4
135.11684	14.6
137.09601	15.8
139.07555	3.4
141.06995	6.5
142.07782	27.4
143.08556	57.0
144.09380	13.7
145.06500	6.8
145.10123	63.2
146.10400	3.6
147.08055	38.3
147.11684	16.7
149.09602	22.1
149.13161	3.5
151.07570	23.8
153.05235	2.6
153.06888	4.1
154.07764	4.7
155.08578	17.1
156.09354	23.1
157.10133	75.6
158.10863	11.2
159.08047	17.1
159.11697	40.7
160.08810	3.8
161.09639	21.1
161.13251	6.7
163.07556	2.7
163.11166	16.5
165.07024	6.9
165.09135	49.7
167.08585	5.3
167.10712	11.2
168.09315	5.4
169.10121	26.9
170.10941	15.8
171.11714	34.9
172.12383	8.2
173.09587	16.4
173.13258	17.3
175.11183	25.2
175.14853	6.5
177.12759	7.7
179.08566	10.8
179.10687	5.9
180.09283	5.2
180.11401	4.0
181.10139	13.3
181.12234	10.2
182.10931	7.7
183.08046	3.7
183.11746	28.2
184.12471	6.2
185.09589	5.6
185.13272	22.2
186.14063	3.6
187.11198	11.0
187.14836	7.6
189.12762	18.5
190.13486	11.5
191.08723	3.5
191.10648	10.1
191.14340	4.1
193.10133	11.7
193.12228	10.4
194.10880	6.0
195.11716	26.8
195.13414	4.8
196.12410	7.1
197.09637	6.4
197.11671	4.2
197.13274	19.9
198.10246	4.4
199.11176	11.3
199.14818	7.7
201.12747	11.1
203.08672	3.1
203.14293	32.8
205.10170	5.7
206.10847	7.0
207.11708	15.6
207.13838	21.4
208.12416	8.7
208.14549	8.7
209.13258	19.7
209.15169	6.3
210.13742	4.4
211.11235	8.5
211.14836	14.1
212.11945	3.9
213.12764	9.7
213.16425	3.5
217.15883	3.7
219.11832	6.2
219.13818	7.7
220.12405	3.9
221.13280	15.5
221.15338	100.0
223.14780	10.5
224.15503	4.9
225.12729	7.7
225.16396	7.1
227.14185	5.5
233.13312	6.4
233.15317	24.2
234.14011	5.3
234.16020	14.3
235.14819	10.0
235.16870	3.7
236.15564	3.5
237.12706	8.0
237.14703	35.9
239.14214	4.4
241.15880	5.6
247.14752	5.6
247.16965	9.0
248.14015	15.0
249.16412	7.7
251.18326	3.8
253.15825	3.5
255.17509	27.2
256.17984	3.4
259.14832	3.8
261.16269	8.6
262.16910	3.9
263.17969	3.2
267.17563	3.5
269.15430	3.5
269.18860	3.4
270.19778	8.0
271.16876	7.7
273.16156	4.3
273.18802	5.2
274.19305	14.1
277.15732	4.0
281.18973	7.7
285.18585	7.2
286.19339	17.9
287.20001	12.3
294.19788	5.8
295.20428	6.9
297.18652	5.2
298.19055	4.1
299.20023	13.8
303.19583	51.2
310.19247	3.3
312.20697	7.0
313.21658	17.2
319.20398	4.2
325.21649	18.8
333.22263	3.0
337.21494	8.6
352.23941	93.9
353.24280	6.5
360.03836	3.2
365.24695	22.4
377.24619	5.5
419.29248	4.6
420.30243	5.0
502.34503	12.1
503.35013	7.4
505.33295	5.4
507.34744	13.8
508.34698	8.0
520.35455	54.4
521.35992	5.2
582.40424	3.6
583.41260	5.8
585.39142	5.0
600.24066	3.4
600.41229	29.0
601.42078	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19882	3.4
53.03935	7.2
55.01870	5.0
55.05507	22.8
57.07063	11.1
65.03938	4.2
67.05505	39.1
69.03426	14.8
69.07075	23.8
71.05002	9.1
75.99761	3.2
76.40608	3.2
79.05492	32.3
81.07055	45.5
82.07387	4.2
83.04975	21.7
83.08620	11.7
84.74512	3.2
85.06543	9.2
85.89066	3.1
87.04472	7.4
89.06042	13.5
91.05482	62.2
93.06452	4.4
93.07043	77.0
93.07600	5.2
95.04966	23.5
95.08604	39.5
97.02499	2.9
97.06543	16.6
97.10173	5.9
98.23548	5.4
105.04529	5.9
105.07031	100.0
107.04996	3.4
107.08601	68.0
108.08833	3.4
109.06524	19.0
109.10155	40.9
111.08059	7.5
113.05959	6.9
113.09655	5.4
115.05460	6.5
116.40235	3.0
117.07027	28.0
119.08578	81.5
120.09421	3.7
121.06516	12.8
121.10146	52.2
123.08072	37.5
123.11724	11.9
125.09629	11.5
128.06195	15.8
129.07028	25.4
129.09140	3.5
130.07802	11.0
131.08580	47.8
132.09306	3.7
133.06502	9.7
133.08623	8.2
133.10127	47.9
135.08090	21.5
135.11685	16.8
136.69034	3.7
137.09628	11.2
139.11194	4.9
141.06976	10.3
142.07802	33.0
143.08557	49.6
143.09622	5.3
144.09305	14.3
145.06512	7.4
145.10106	73.1
146.10867	3.9
147.08054	11.8
147.11676	23.5
149.09573	17.4
149.13220	7.4
151.07518	8.2
153.06976	5.9
155.08591	21.6
155.10672	15.1
156.09326	22.1
157.10127	65.7
158.10852	12.7
159.08060	23.1
159.11682	43.1
160.08862	6.3
161.09624	18.4
161.13257	6.5
163.11212	10.7
165.07002	9.8
165.09061	7.7
166.07706	6.8
167.08582	10.3
167.10692	23.0
168.09386	7.8
169.10138	38.1
170.10910	13.7
171.11699	46.7
172.12486	4.7
173.09641	11.4
173.13237	24.8
175.11183	17.4
175.14798	8.7
177.09096	3.6
177.11307	4.6
177.12712	5.6
179.08572	14.1
180.09323	9.9
181.10138	26.8
181.12236	10.6
182.10928	14.4
183.11653	33.5
185.13243	29.1
186.13924	5.2
187.11185	9.7
187.14854	12.8
189.12730	8.1
190.13562	6.5
191.14272	9.0
192.09293	5.3
193.10153	23.1
193.12383	4.6
194.10918	9.9
195.11710	34.1
196.12416	10.3
197.13264	37.9
199.11192	10.5
199.14835	19.7
201.12782	6.5
201.16418	4.5
203.14337	13.1
205.10301	5.0
206.11053	6.4
207.11714	17.0
207.13576	6.8
208.12444	11.6
208.14455	4.4
209.13264	28.2
209.15141	6.6
210.13988	7.1
211.11217	4.3
211.14790	22.5
212.15402	3.9
213.12712	9.6
213.16351	8.8
215.14270	9.1
217.10150	4.7
217.15938	3.6
219.11757	8.6
219.13737	3.7
220.12578	5.3
221.13245	16.7
221.15385	42.7
222.15846	3.9
223.14796	16.7
224.15514	4.7
225.12746	9.5
225.16347	7.1
227.14317	6.8
229.15900	4.7
231.11679	5.5
232.12273	4.0
233.13254	10.2
233.15387	23.4
234.13934	6.4
234.16054	9.0
235.14804	14.7
236.15459	4.2
237.16476	15.5
239.17992	4.9
241.15800	5.6
245.13139	4.3
247.14766	6.4
249.16338	9.4
251.17911	6.8
253.15919	5.0
253.19470	5.3
255.17377	39.1
261.16357	6.3
263.18021	9.0
265.19479	6.8
267.17282	3.8
268.18124	6.4
269.18988	6.9
270.19745	7.6
271.17175	4.7
271.20407	4.3
273.18576	8.8
275.17871	4.4
277.19379	4.5
281.18933	9.9
282.19745	4.2
283.20517	5.9
284.74451	3.4
285.18701	4.2
286.19250	6.7
287.20074	8.2
289.19601	5.0
295.20584	9.5
297.18707	6.8
299.20041	5.1
303.20148	3.6
307.20514	4.6
309.18668	5.3
329.22842	4.1
333.26111	3.3
347.23611	6.0
352.23770	3.5
354.27979	3.4
360.24490	4.8
365.24973	7.8
366.24738	3.5
383.25851	15.0
428.14871	4.2
434.36914	5.4
456.14032	4.5
513.17438	19.8
567.37848	6.2
600.41516	25.5
601.22705	25.8
601.42603	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99338	3.2
52.58683	3.8
55.05521	20.9
57.07071	9.5
59.04993	7.4
67.05505	25.3
69.03426	19.7
69.07083	17.7
69.54803	14.2
71.04966	3.4
79.04624	3.9
79.05497	26.1
81.07060	39.8
81.95231	3.1
83.04977	14.5
83.08624	11.4
87.04500	3.7
89.06029	7.1
91.05475	51.8
93.07048	81.9
95.04969	29.2
95.08621	36.1
95.81203	3.5
97.06516	14.9
98.22749	7.5
103.05431	4.3
105.04517	4.5
105.07027	100.0
107.04951	7.8
107.08603	60.5
109.06521	19.5
109.10159	17.6
111.08105	4.1
112.33257	3.4
115.05444	10.5
117.07018	27.2
119.08577	89.2
121.06511	14.5
121.10139	51.0
123.08060	36.0
123.11726	4.1
125.05946	5.7
125.09605	8.4
128.06224	13.9
129.06999	24.9
130.07761	7.3
131.08577	46.2
133.06523	11.1
133.10124	42.5
135.08058	26.2
135.11693	14.2
137.05954	7.3
137.08713	3.7
137.09601	18.3
141.06993	12.1
142.07793	23.8
143.08548	53.1
144.09319	16.2
145.10124	64.9
146.07237	3.7
146.10507	5.7
147.08049	43.9
147.11736	16.9
148.43549	3.6
149.03635	3.3
149.09605	20.9
149.13281	5.3
151.07585	20.8
153.07013	4.8
154.07834	5.3
155.08574	20.3
156.02211	3.6
156.09323	20.4
157.10129	77.4
158.10896	7.7
159.08043	17.4
159.11699	34.3
161.09616	27.7
161.13242	10.6
163.11180	20.9
165.07019	8.2
165.09116	52.0
167.08597	9.3
167.10678	13.4
168.09285	4.3
169.10106	22.6
170.10867	12.5
171.11688	37.5
172.12415	6.6
173.09583	16.0
173.13263	15.0
175.11159	24.7
175.14894	7.1
177.09137	4.6
179.08621	7.5
179.10652	4.0
180.09274	7.6
180.11237	3.3
181.10103	19.7
181.12231	10.8
182.10887	13.2
183.11707	27.7
184.12378	4.1
185.09567	4.2
185.13235	21.6
187.11192	10.5
187.14815	5.7
189.12738	18.7
190.13533	6.6
191.10698	4.2
193.10149	14.8
193.12187	11.1
194.10915	7.6
195.11707	26.2
196.12427	10.6
197.09631	6.0
197.13272	26.7
199.11177	8.3
199.14801	6.7
201.12767	12.2
203.14336	27.0
205.10022	4.0
206.10840	7.5
207.11710	22.0
207.13681	7.1
208.12392	9.5
208.14511	7.1
209.13281	28.7
209.15096	6.3
210.14053	6.8
211.11238	7.9
211.14806	14.9
213.12723	13.1
214.13603	5.4
215.10619	5.1
215.14458	5.7
217.15944	4.0
218.10936	4.2
219.11737	6.9
219.13693	5.4
220.12531	5.6
221.13245	12.9
221.15314	85.5
222.13939	4.2
222.15849	5.9
223.14787	15.5
225.12724	10.9
225.16382	10.8
227.14255	5.8
233.13194	8.7
233.15388	28.2
234.13971	5.5
234.16177	9.5
235.14815	10.6
237.12636	8.0
237.14601	31.4
239.14110	5.3
247.14743	5.7
247.17014	10.6
248.14056	13.7
253.15791	7.9
255.17490	24.0
261.16388	8.7
270.19696	6.5
271.17105	6.3
273.16187	5.2
274.19244	9.8
275.17889	4.0
279.17584	6.2
281.18924	8.4
285.18558	4.9
286.19302	12.5
287.20035	9.9
294.19736	5.2
295.20526	8.0
299.20065	15.0
303.19553	43.5
312.20728	4.9
313.21600	13.1
319.20645	5.5
325.21613	14.0
337.21555	10.3
352.23990	95.8
353.24545	5.6
365.24643	13.8
377.25043	5.9
378.25082	4.9
383.25995	6.4
420.30066	4.3
429.27551	3.7
502.34003	13.5
505.32642	5.1
507.34549	9.9
508.35239	4.3
520.35486	46.2
521.35822	4.2
582.40161	4.7
583.41791	3.6
600.41357	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	4.1
53.03942	6.2
55.05514	25.6
57.07072	9.1
58.39027	2.5
59.05002	6.0
65.03953	6.9
67.05508	31.0
69.03440	19.6
69.07067	26.3
69.70209	5.5
69.70602	6.5
71.04989	7.5
74.29259	2.7
77.03936	2.9
79.05492	38.6
80.06245	2.5
81.07059	47.9
83.04971	17.1
83.08626	20.3
83.65940	3.1
85.06554	11.0
87.04478	2.6
89.06039	4.3
91.05482	59.7
93.07052	82.9
95.04977	31.6
95.08611	39.7
96.05794	2.9
97.06525	16.8
98.23420	2.9
99.08096	3.7
100.49206	2.7
103.05477	5.6
105.04537	6.5
105.07030	95.3
107.04954	7.6
107.08600	82.7
109.06517	23.0
109.10164	44.2
110.49773	2.9
111.08094	12.7
113.09652	7.8
115.05483	7.3
117.07021	29.7
119.04951	4.1
119.08589	100.0
120.09427	4.3
121.06513	13.3
121.10155	69.5
123.08078	42.3
123.11716	8.5
125.06024	2.6
125.09619	13.2
128.06212	16.8
129.07024	22.5
129.09108	2.8
130.07779	11.1
131.07645	4.9
131.08575	60.5
132.09348	3.9
133.06497	8.2
133.10136	64.5
134.10927	3.1
135.08098	21.7
135.11696	16.7
137.09625	12.2
139.11171	6.1
141.07002	11.8
142.07797	29.6
143.08575	68.5
143.09631	5.3
144.09348	13.7
145.06488	8.1
145.10130	87.8
146.10658	2.6
147.08089	18.3
147.11722	28.3
148.08873	3.8
149.09660	22.6
149.13297	2.9
151.07585	12.9
151.11168	3.1
153.07033	6.3
154.07776	5.2
155.08586	27.0
155.10652	19.9
156.09335	26.9
157.10141	93.4
158.10986	12.6
159.08057	28.8
159.11700	63.9
160.08826	10.1
160.12349	3.1
161.09637	21.6
161.13263	11.2
162.10352	4.0
163.11176	9.7
165.07004	11.3
165.09113	14.9
165.12849	3.3
166.07787	4.5
167.08553	17.5
167.10677	32.9
168.09395	5.8
169.10136	35.6
170.10954	13.0
171.11696	61.4
172.12363	3.2
173.09612	18.9
173.13269	32.9
175.11189	28.7
175.14813	8.7
177.09116	5.8
178.07811	4.1
179.08537	15.0
179.10681	3.2
180.09360	8.5
181.10101	28.1
181.12192	13.1
182.10959	16.9
183.08069	4.2
183.11710	44.8
184.08853	4.0
184.12437	8.0
185.09679	9.1
185.13243	29.3
186.10339	3.2
186.14006	9.6
187.11214	12.1
187.14821	15.5
189.12769	11.7
190.13525	9.5
191.14323	7.8
192.09381	6.6
193.10126	13.5
193.12230	5.2
194.10866	13.8
195.11699	40.7
196.12415	10.9
197.09560	4.4
197.13280	40.1
198.13892	6.1
199.11186	12.2
199.14816	22.9
200.11983	3.7
200.15392	2.9
201.12759	9.5
201.16460	5.2
203.14304	20.5
205.10229	7.4
205.15891	3.5
206.10912	10.4
207.11700	24.3
207.13818	9.1
208.12448	9.4
209.13284	34.6
209.15204	4.4
210.14009	7.9
211.11191	6.3
211.14819	30.3
212.11868	2.9
212.15511	6.1
213.12791	16.4
213.16319	8.3
215.14282	20.5
216.15103	3.1
217.10158	3.2
217.15915	5.9
218.10931	5.4
218.16844	5.9
219.11760	5.9
219.13818	5.4
220.12456	6.9
221.13216	20.6
221.15388	43.3
221.74600	3.0
222.13937	7.6
223.11253	4.9
223.14796	29.0
224.15457	5.5
225.12704	9.1
225.16237	13.0
227.14348	11.5
228.14825	3.3
229.15907	7.3
231.11661	5.7
232.12314	6.0
233.13219	12.7
233.15385	32.9
234.14055	4.3
234.16147	11.8
235.14784	18.1
236.15520	6.0
237.16461	23.6
239.14336	4.4
239.17998	7.6
241.15819	7.9
243.17415	3.3
244.12440	3.6
245.13179	8.8
245.15472	4.7
246.13878	3.6
247.14845	11.1
247.17078	3.4
248.15660	4.2
249.16417	11.1
251.14397	3.8
251.17976	11.7
253.15868	5.9
253.19637	3.1
255.17473	56.1
256.18155	3.6
257.13412	4.8
257.19016	3.6
259.14789	9.9
261.16321	13.2
263.17963	11.7
265.15689	3.9
265.19449	7.1
267.17435	8.8
268.18399	4.9
269.19043	9.1
270.19791	9.6
271.17065	5.0
273.16220	7.0
273.18549	8.2
274.19443	4.4
275.17856	5.7
277.19363	8.5
279.17523	7.7
281.19028	10.4
282.19888	5.9
283.20352	6.2
285.18579	5.8
286.19330	4.6
287.20047	8.1
289.19400	6.6
291.17471	4.6
293.19009	3.4
294.19647	3.4
295.20483	3.7
297.18646	4.2
299.20013	8.9
303.19702	3.3
307.20483	5.4
311.20221	3.2
315.21109	3.7
323.23502	3.7
324.20782	3.6
325.21634	5.7
345.21716	4.7
347.23651	7.3
352.24002	8.5
360.24313	5.2
361.25427	3.5
365.24731	15.6
383.25751	13.9
502.33948	3.2
520.35327	3.2
582.40729	4.5
583.40973	3.3
600.41449	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45888	1.6
52.11298	1.7
53.03952	3.4
55.01857	3.6
55.05511	24.3
55.59836	1.8
56.65907	1.9
57.07076	13.1
59.04991	3.0
65.03935	8.0
67.05166	2.8
67.05509	39.8
68.71571	1.8
68.97678	1.9
69.03423	12.8
69.07066	24.6
69.91866	6.2
70.21416	1.9
71.04988	7.4
71.08660	2.3
71.49168	1.9
77.03926	2.5
79.05489	36.8
80.06256	3.0
81.07059	51.9
83.04983	21.7
83.08617	15.1
85.06554	8.3
87.04463	7.0
89.06034	17.7
91.05479	55.4
93.07045	80.0
93.98615	1.9
95.04967	34.0
95.08606	39.5
97.06528	17.4
97.10161	3.5
103.05460	5.7
105.04527	4.9
105.07029	98.4
107.04922	4.3
107.08595	84.9
109.06524	26.3
109.10168	44.0
111.08086	7.9
111.11745	1.9
113.06027	3.2
113.09643	6.7
115.05447	10.9
117.07021	27.0
119.06096	3.4
119.08579	100.0
120.09372	2.8
121.06516	14.6
121.10148	75.4
122.07338	2.8
123.08066	36.4
123.11702	8.6
125.09615	14.4
128.06203	17.0
129.06985	28.8
130.07784	9.6
131.08565	55.4
132.09352	2.2
133.06514	4.8
133.08627	11.8
133.10126	60.3
135.08064	19.9
135.11682	19.0
136.08826	2.0
137.08734	2.0
137.09625	13.1
137.13261	2.3
139.11180	7.6
141.06996	13.4
142.07770	34.8
143.08566	60.9
144.09361	15.8
145.06491	5.4
145.10127	79.5
146.07327	3.6
146.10901	5.4
147.08037	18.3
147.11679	27.9
148.08788	3.0
149.09599	23.0
149.13304	4.4
150.10345	2.7
151.07553	9.0
153.07002	6.6
154.07800	4.8
155.08548	28.3
155.10614	15.8
156.09349	25.6
156.55190	2.0
157.10129	86.2
158.10930	15.1
159.08078	27.4
159.10356	3.2
159.11688	60.5
160.08823	6.6
160.12379	3.0
161.09627	22.2
161.13260	11.0
163.11177	8.5
165.07050	9.4
165.09059	10.7
166.07733	5.4
167.08551	18.0
167.10672	23.6
168.09361	12.1
169.10117	35.6
170.10930	14.6
171.08073	4.5
171.11685	60.1
172.08841	3.7
172.12436	7.6
173.09631	12.3
173.13258	29.9
174.10347	2.6
175.11168	21.6
175.14812	12.1
177.11282	4.3
177.12750	5.9
179.08511	17.7
179.10742	1.9
180.09258	8.0
181.10107	28.7
181.12196	5.3
182.10899	15.1
183.11681	38.5
184.12456	6.4
185.09659	7.3
185.13252	34.4
186.14053	4.7
187.11151	12.3
187.14813	12.8
189.12770	11.4
190.13547	7.4
191.08559	2.9
191.14302	8.9
192.09312	7.8
193.10143	19.2
193.12204	4.7
194.10896	13.1
195.11679	39.9
195.13539	3.2
196.12436	11.6
197.09618	6.8
197.11559	3.7
197.13261	40.0
198.10538	2.2
198.13850	3.5
199.11221	11.4
199.14822	19.4
200.15604	2.7
201.12746	9.9
201.16374	5.7
202.18843	2.1
203.14325	11.7
205.10144	3.7
205.12164	2.4
205.15977	3.6
206.10883	8.6
207.11697	25.0
207.13802	6.0
208.12474	10.8
209.13293	37.5
209.15202	2.6
210.13950	8.0
211.11159	7.2
211.14812	25.8
212.11972	3.2
212.15541	2.6
213.12726	13.8
213.16359	9.9
214.13426	2.4
215.14284	13.2
216.14737	2.4
217.10149	7.0
217.12152	2.2
217.15901	4.3
218.10849	4.1
218.16556	5.9
219.11685	9.1
219.13731	3.6
220.12463	8.2
221.13248	19.7
221.15378	26.1
222.14012	7.7
223.11255	3.2
223.14809	25.0
224.15469	5.2
225.12791	10.7
225.16248	10.7
227.14386	10.8
227.17967	2.8
228.14912	2.6
229.15880	8.8
231.11641	5.5
232.12392	3.5
233.13211	10.2
233.15382	34.1
234.14024	4.3
234.16115	8.2
235.14838	16.2
236.15579	4.1
237.12683	6.5
237.16431	19.8
239.14328	4.9
239.17963	4.0
241.15887	8.3
243.17468	3.4
244.12372	2.7
245.13200	4.8
245.15544	3.6
246.14130	3.9
246.16272	4.2
247.14818	11.3
247.16870	3.4
248.15460	4.9
249.16455	12.9
251.17903	7.8
253.15843	6.7
253.19450	3.6
255.17442	59.3
257.13132	2.5
257.19040	4.3
259.14822	5.0
260.15625	3.0
261.16287	9.6
263.17853	10.4
265.16055	4.0
265.19510	6.6
265.25290	8.3
267.17435	5.4
268.18192	6.3
269.19022	10.9
270.19702	11.0
271.14612	3.7
271.17200	3.6
271.20367	4.0
273.16077	3.9
273.18771	9.4
274.19284	2.4
275.17935	6.1
277.16037	2.9
277.19418	5.0
279.17441	4.7
279.21161	2.6
281.19077	10.8
282.19775	3.7
283.20404	4.7
285.18475	6.7
286.19302	6.2
287.17392	2.9
287.20129	8.1
289.19479	5.3
293.18890	3.1
294.19736	3.8
295.20499	6.4
299.20041	8.1
307.20712	4.2
317.22195	2.0
329.22778	4.5
333.22192	2.2
334.22879	3.8
335.23624	3.5
339.28827	9.5
345.22321	5.0
347.23776	4.4
349.25314	2.2
360.24429	4.5
365.24921	9.3
383.25839	15.4
415.25320	6.8
444.90808	2.1
457.31134	2.6
509.33371	2.4
549.37482	3.0
567.38373	4.2
582.40027	6.1
600.41583	19.1
601.17126	2.2
601.41858	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76891	3.0
53.03942	3.7
54.36021	2.9
55.01447	3.3
55.05514	8.1
57.07075	10.0
59.05000	6.2
67.05511	17.5
69.03428	12.4
69.07056	9.3
71.04993	3.6
72.90765	3.0
78.63476	3.0
79.05499	16.0
81.07051	25.0
83.04971	8.9
83.08627	6.8
85.06525	4.7
87.04475	3.9
91.05484	30.9
93.07040	42.4
95.04984	17.1
95.08603	22.8
96.08894	4.0
97.06533	8.0
98.23505	7.3
105.07036	63.4
107.08586	38.6
109.06517	11.6
109.10159	10.5
111.08080	4.8
117.07023	14.1
119.08578	53.8
121.06527	9.1
121.09353	5.5
121.10137	32.5
123.08068	25.7
125.09624	5.9
128.06226	10.4
129.07019	12.5
130.07803	5.0
131.08577	28.2
133.06480	5.9
133.10103	30.9
135.08049	17.1
135.11665	8.0
137.09602	11.8
141.07013	7.6
142.07822	16.9
143.08549	31.2
144.09319	11.9
145.06500	5.8
145.10135	39.8
147.08052	19.9
147.11696	10.7
148.08875	4.1
149.09605	14.7
151.07527	12.1
152.91446	3.2
155.08554	13.6
155.10693	6.1
156.09337	10.6
157.10143	48.9
158.10817	8.3
159.08064	14.1
159.11696	29.6
160.08836	10.7
161.09637	22.2
161.13278	6.8
163.11201	14.1
165.07025	5.4
165.09096	25.2
167.08595	6.5
167.10670	11.7
168.09344	6.5
169.10143	19.3
170.10916	8.9
171.11703	28.6
172.12456	7.9
173.09697	6.4
173.13258	16.3
175.11147	19.1
179.08548	7.4
180.09247	7.3
180.11443	3.6
181.10094	12.4
181.12210	9.2
182.10844	3.6
183.11714	16.0
184.12541	5.5
185.09601	5.1
185.13269	11.3
186.13991	4.1
187.11189	5.7
187.14801	5.7
189.12688	7.2
190.13550	13.0
193.10159	12.4
193.12190	5.8
194.10849	3.9
195.11720	20.7
195.13318	4.2
196.12439	6.8
197.09586	4.1
197.13310	17.3
198.13931	3.7
199.11230	5.2
199.14854	7.1
203.14305	19.3
205.10187	3.8
206.10796	5.9
207.11870	6.9
207.13834	13.9
208.12601	4.4
208.14626	10.7
209.13312	19.0
209.15112	5.9
210.13750	4.0
211.11183	4.4
211.14815	10.8
212.12057	4.0
213.12740	5.8
213.16583	3.8
215.14462	5.1
219.11798	3.6
219.13704	8.8
221.13284	10.2
221.15343	100.0
222.15796	3.7
223.14879	8.8
225.12885	7.7
225.16393	3.6
228.15501	3.4
233.13281	5.8
233.15393	13.2
234.16090	12.5
235.14851	8.1
237.14735	34.2
247.16991	10.3
248.14037	13.2
255.17435	26.0
261.16281	8.4
269.18854	4.6
270.19788	5.2
271.16934	5.3
274.19302	7.7
279.17380	4.1
281.18881	6.1
285.18604	5.4
286.19278	16.1
287.20023	10.9
294.19788	9.6
295.20480	5.8
297.18423	7.3
299.20056	14.4
300.20844	4.5
303.19574	56.1
312.20895	6.5
313.21600	16.4
325.21753	19.5
352.23975	79.5
353.24384	5.8
359.23788	4.5
365.24826	22.5
377.24591	8.2
383.25745	7.3
420.29782	4.8
502.34384	11.5
503.35022	8.0
507.34534	9.9
520.35437	52.2
578.83246	3.7
583.41376	4.5
585.39325	4.7
600.41559	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	15.5
57.07058	13.4
61.23332	5.4
67.05515	28.6
69.03440	11.6
69.07069	16.7
69.35092	11.1
69.35502	20.9
79.05496	22.4
81.07061	41.3
83.04986	22.7
83.08623	6.5
85.06531	9.4
86.69995	5.3
89.06050	13.4
91.05468	43.1
93.07051	68.8
95.04964	20.6
95.08609	40.8
96.21844	5.7
97.06544	17.5
98.42900	6.2
105.07037	76.4
107.08601	69.0
109.06517	23.5
109.10143	23.8
111.08084	7.0
116.42743	6.7
117.07018	19.7
119.08582	75.4
120.09410	7.2
121.06530	12.0
121.10160	51.8
123.08111	33.4
123.11734	7.8
125.05972	6.9
125.09644	11.4
128.06221	9.3
129.07010	24.2
131.08563	41.2
133.06554	7.6
133.10156	51.1
135.08031	21.0
135.11713	15.0
137.09610	14.5
141.07004	6.1
142.07791	18.7
143.08565	51.3
144.09360	13.1
145.10127	68.3
146.07307	7.7
147.08063	35.1
147.11674	28.0
149.09641	21.5
151.07567	21.8
155.08588	24.0
155.10654	6.7
156.09401	16.6
157.10149	64.8
158.10895	19.5
159.08060	23.0
159.11714	48.3
160.08815	8.1
161.09560	23.1
161.13307	10.7
162.10374	5.9
163.11177	24.6
165.09125	56.5
167.08560	5.7
167.10719	7.0
168.14951	5.8
169.10178	23.2
170.10854	16.8
171.08034	6.5
171.11690	55.1
173.09618	18.2
173.13319	21.0
175.11209	21.0
179.08614	10.2
179.10692	6.9
180.09406	7.1
181.10168	17.3
181.12209	15.0
183.11717	37.2
184.12534	7.2
185.13235	31.3
187.11250	13.2
187.14758	8.3
188.11969	8.8
189.12848	14.2
190.13503	16.1
193.10188	13.1
193.12196	14.0
193.97787	5.6
194.10913	6.1
195.11647	29.9
196.12529	6.5
197.13271	33.1
199.11252	9.6
199.14803	8.5
201.12750	9.3
203.14334	38.7
207.11729	14.2
207.13794	15.9
208.12511	12.9
208.14467	9.0
209.13229	23.9
210.14012	8.6
211.14856	22.3
213.12749	12.3
215.14331	13.4
219.11703	9.3
219.13715	6.4
221.13268	12.4
221.15367	100.0
222.15839	8.1
223.14735	15.4
225.12697	9.4
225.16371	10.2
227.14328	8.6
232.12506	7.3
233.13264	7.4
233.15329	29.0
234.16119	14.7
235.14824	17.8
237.12799	10.0
237.14590	34.6
238.17079	6.2
239.14395	5.6
239.17894	8.3
247.14767	7.7
247.17065	12.2
251.17999	6.9
255.17532	32.2
259.16989	9.3
261.16150	9.3
263.18082	6.3
265.19452	5.5
268.18243	7.9
270.19730	8.1
274.19260	21.1
281.18878	8.1
285.18597	13.3
286.19275	19.3
287.19974	17.6
294.19833	8.2
295.20401	7.8
299.20084	14.7
303.19629	54.2
304.20074	5.9
313.21616	24.0
325.21646	23.8
337.21649	15.7
352.23920	86.8
353.24258	10.3
365.24814	28.5
377.25015	11.1
383.25775	11.6
502.34586	13.4
507.34579	12.6
520.35602	58.8
562.38269	6.0
582.41193	8.4
600.41925	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	600.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47893	5.7
57.07068	9.2
67.05519	7.1
69.07079	6.0
69.48338	21.7
79.05479	9.4
81.07054	12.9
85.06573	6.7
91.05476	22.9
93.07044	15.2
95.04959	12.4
95.08624	13.0
98.23438	12.5
105.07049	30.9
107.08602	14.9
117.07008	7.1
119.08607	38.3
121.10136	14.5
123.08067	13.2
131.08585	13.3
133.10101	11.2
135.08078	6.7
137.09615	9.1
143.08525	14.8
145.10132	26.0
147.08038	14.5
149.09618	9.0
151.07642	6.7
155.08501	7.4
157.10114	22.6
159.11708	14.0
163.11195	17.1
165.09142	30.5
169.10114	12.2
171.11716	10.6
173.09511	7.6
173.13301	9.5
175.11166	14.6
181.12248	24.6
183.11685	13.1
185.09724	6.4
190.13533	12.4
197.13266	12.6
201.12698	8.4
203.14290	22.4
208.14613	7.8
211.14915	8.9
221.15352	100.0
234.16161	26.9
247.16815	16.2
274.19321	7.8
287.19971	9.3
299.20065	20.6
306.96744	7.3
325.21530	17.0
334.85443	6.1
340.24017	13.4
352.23984	34.8
365.24609	8.4
419.29623	8.6
427.28214	16.1
440.29135	43.2
441.29575	8.7
520.35382	31.2
600.41412	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2625
Annotation	Granaxylocarpin C
Peak:m/z	Relative Intensity
58.47889	0.4
67.05488	0.5
69.47985	2.0
69.85680	0.4
72.40659	0.4
81.07066	0.6
85.02923	0.9
87.72881	0.4
91.05496	0.4
93.07003	0.4
98.97601	0.7
103.69561	0.5
105.01865	0.5
127.03964	0.6
131.00151	0.5
131.27797	0.5
165.60004	0.4
185.04306	0.8
191.02393	0.5
255.09006	0.6
331.10062	1.5
365.16464	0.7
473.20355	0.9
541.26251	0.6
583.24902	0.9
601.26428	100.0
602.26782	4.2
624.58514	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	1.1
69.24383	5.2
77.38451	0.9
85.02915	0.8
86.09695	2.5
94.01501	1.0
95.08617	1.5
97.02884	1.0
98.22741	1.7
98.97568	1.7
99.04475	1.4
130.80603	0.9
170.11800	2.3
231.04996	2.0
232.05096	1.0
249.06100	1.3
318.25180	1.1
443.18625	1.0
574.06018	1.1
575.83557	1.0
601.26306	100.0
602.26788	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	601.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55874	0.4
62.25614	0.5
66.23748	0.3
67.05497	0.6
70.01661	0.9
73.09261	0.4
75.94695	0.3
77.71900	0.3
79.05471	0.5
81.07056	0.9
84.61295	0.3
91.05463	0.5
93.07055	0.6
95.08572	0.6
115.03699	4.8
124.62091	0.3
130.32001	0.4
131.01881	0.6
133.03467	1.7
133.10104	0.4
136.30206	0.3
147.39821	0.4
149.02109	1.9
158.59988	0.4
159.11626	0.4
167.01883	0.4
171.04971	0.6
175.04559	0.5
177.98553	0.4
182.98134	0.5
184.85124	0.4
185.02953	0.7
201.06090	1.6
212.98326	0.6
230.99371	4.2
249.00516	2.8
267.00476	0.5
269.42950	0.5
281.01889	0.9
301.20038	4.3
319.21539	0.5
335.25952	0.7
341.05145	13.2
342.23157	0.4
357.23990	0.9
375.25058	100.0
376.25378	3.3
417.26050	0.7
467.27332	0.5
503.29694	1.3
513.24316	0.5
541.23059	1.3
583.25397	4.4
601.25940	9.7
602.25604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.9
57.03416	0.5
66.29993	0.6
67.05500	1.7
69.90769	1.8
79.05513	1.2
81.07064	1.1
84.59290	0.6
86.09720	1.0
87.21854	0.5
93.07037	0.8
104.10746	3.9
107.08598	0.9
110.19791	0.6
115.03692	4.9
124.22877	0.6
133.03497	1.1
145.03543	0.8
147.25102	0.6
149.02121	2.3
151.04597	0.7
171.05135	0.8
175.57210	0.7
185.02940	1.2
201.06107	1.4
230.97820	0.5
230.99408	4.8
249.00586	3.8
281.01685	0.8
301.20071	5.9
305.01599	0.7
319.21066	1.1
319.39862	0.7
341.05157	13.8
357.23740	0.7
375.25070	100.0
376.25549	3.9
379.61963	0.7
446.19815	0.7
503.29770	1.8
541.23242	0.8
583.25311	4.5
600.41107	0.8
601.25610	8.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.5
65.03931	1.4
68.99789	0.8
69.03419	0.6
69.11153	2.6
70.06587	0.5
72.08153	9.7
76.07635	0.5
83.22759	0.3
84.08158	1.8
84.95205	0.4
85.02924	0.7
86.09703	0.5
88.43774	0.4
91.04934	0.7
91.05479	10.1
95.04913	0.4
103.05465	0.5
112.11211	0.8
117.03373	0.4
119.04940	23.1
120.05305	0.4
121.06512	0.5
125.08002	0.3
130.12274	20.1
131.04903	1.4
132.05229	0.4
135.04422	0.7
137.05969	0.9
147.04402	100.0
147.14912	6.8
148.04753	2.5
149.06009	0.4
151.07504	0.5
161.05998	0.4
163.03905	1.0
163.07541	2.1
164.04086	0.4
164.07874	0.6
167.07037	0.5
173.12840	1.1
177.05434	0.7
179.06999	1.0
180.07419	0.7
195.06509	0.7
196.06921	0.4
204.10208	0.6
218.11755	4.4
223.06026	5.4
224.06335	4.0
249.11244	0.5
250.11525	0.6
275.17480	0.7
276.15945	0.9
293.18579	44.1
294.18857	1.0
354.10425	0.6
421.21088	1.9
437.08353	1.5
439.22281	19.6
440.22604	0.8
455.09546	1.6
455.23840	20.7
456.24026	1.2
469.77704	0.4
583.26459	1.3
601.15045	6.3
601.27368	6.0
602.15430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70923	0.1
57.03432	0.2
65.03928	1.2
69.03409	0.7
70.06584	0.4
72.08155	7.9
76.07639	0.2
80.35383	0.2
84.08138	2.1
85.02892	0.5
86.09700	0.3
90.81002	0.2
91.05483	9.0
92.05820	0.2
98.06078	0.2
103.05457	0.4
104.05780	0.2
105.50391	0.2
105.56537	0.2
107.04933	0.2
112.11267	1.2
119.04945	21.7
120.05260	0.5
127.03876	0.3
129.13939	0.2
130.12280	18.2
130.28535	0.2
131.04912	1.2
131.12611	0.3
132.05281	0.6
137.05977	0.2
147.04407	100.0
147.14920	4.8
148.04750	1.9
159.08121	0.2
163.06381	0.2
163.07516	1.1
164.07877	0.6
173.12852	1.4
185.12871	0.2
204.10132	0.9
205.08575	0.4
213.16043	0.3
218.11769	4.8
223.05913	1.0
224.06332	0.6
249.11250	1.4
250.11600	1.3
275.17554	1.1
276.15912	1.0
293.18585	29.4
294.18954	0.9
319.16599	0.6
421.21307	1.6
439.22299	17.8
440.22485	1.3
455.23883	12.0
456.24179	0.7
583.26447	1.3
601.17261	0.3
601.27728	6.3
602.27850	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	1.1
65.03936	1.1
69.53160	1.3
70.06599	0.4
72.08155	20.0
76.07604	0.6
84.08144	2.3
85.02886	1.0
87.46493	0.3
91.05480	7.5
97.02888	0.4
98.55829	0.4
98.97580	3.3
112.11221	1.7
112.55413	0.4
116.98611	0.9
119.04941	20.6
124.99119	0.3
125.85701	0.3
130.12279	28.3
131.12619	0.6
134.99588	0.4
143.00171	1.0
147.04405	100.0
147.14914	14.2
148.04771	2.2
161.01224	0.5
173.12848	1.6
182.99661	0.5
197.84399	0.3
201.00749	0.9
204.10179	0.9
218.11761	8.1
219.01765	1.1
247.10017	0.6
249.02846	1.2
265.11148	0.7
275.17505	1.3
276.15900	1.2
289.11176	1.4
291.03882	2.5
292.17670	0.8
293.18582	78.8
294.18985	2.8
319.16678	0.7
329.10522	1.6
338.79843	0.4
421.15234	2.9
421.21268	2.8
439.22290	32.1
440.22617	1.4
455.23779	3.1
541.19556	1.5
601.28198	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.9
53.58837	3.6
55.05507	25.3
57.07082	20.6
59.05006	7.9
65.03939	4.7
65.88599	5.0
67.05506	54.3
69.03431	13.0
69.07065	28.5
69.68818	7.9
69.69147	4.8
71.05016	7.2
71.08614	8.6
78.91321	3.8
79.05499	31.8
81.07052	48.8
83.04984	14.9
83.08622	21.1
85.06548	8.0
85.10211	4.9
87.04467	5.9
89.06028	46.6
90.06361	5.4
91.05471	68.7
92.05814	5.6
93.07050	78.4
95.04972	33.4
95.08607	57.6
97.06534	10.5
97.10149	5.7
105.07034	99.5
106.43136	4.8
107.08591	72.7
108.08914	7.3
109.06530	19.8
109.10147	39.4
110.10501	9.7
111.08051	5.2
111.11725	4.7
115.05391	6.8
116.06246	4.3
117.07043	25.5
119.08578	100.0
120.08943	7.8
121.06480	12.8
121.10138	78.2
123.08070	17.9
123.11725	9.1
125.06014	7.0
125.09655	12.6
128.06241	13.3
129.07010	12.6
130.07771	13.7
131.08577	43.2
133.08635	24.5
133.10124	52.9
134.08981	6.6
134.10509	6.6
135.08070	16.9
135.11659	20.8
137.09636	8.5
139.11227	5.0
141.06953	7.0
142.07790	23.6
143.08575	35.8
144.09172	8.5
145.10118	74.6
146.10452	6.4
147.08051	14.8
147.11702	25.7
148.12085	4.6
149.09647	13.7
149.13284	5.5
151.07509	9.8
154.07664	5.2
155.08638	21.2
156.09412	15.4
157.10141	65.9
158.10686	12.2
159.08054	14.9
159.11699	40.7
161.09644	13.0
161.13248	9.6
163.11230	13.0
165.09135	17.2
167.08568	10.5
167.10674	54.7
169.10141	31.7
170.10887	10.2
171.11676	35.3
173.09561	7.1
173.13268	22.5
175.11169	11.3
175.14838	14.8
177.11237	7.5
179.08493	10.0
181.10138	17.1
181.12289	7.7
182.10718	7.2
183.11699	27.5
184.12271	4.8
185.09682	6.8
185.13249	27.7
186.13638	7.5
187.11192	8.7
187.14835	14.2
189.12720	10.5
191.14287	11.3
193.10143	13.5
193.12189	5.1
194.10863	7.7
195.11690	26.7
196.12297	9.1
197.13269	28.2
198.13756	5.1
199.11212	5.9
199.14796	10.2
201.12769	5.8
201.16507	5.0
202.16724	4.5
203.14334	14.1
206.10939	6.7
207.11699	13.7
208.12456	8.2
209.13275	25.5
210.13829	7.2
211.11188	8.8
211.14850	20.0
213.12762	8.3
213.16331	7.3
214.13109	4.8
215.14301	9.9
219.11613	10.2
220.12430	7.9
221.13271	13.7
221.15381	44.2
222.14032	6.8
223.00357	5.0
223.14758	13.7
224.15207	9.0
225.12633	4.9
225.16331	8.3
225.57156	4.3
227.14362	5.3
231.11621	5.1
233.13278	8.8
233.15396	28.5
234.13840	4.9
235.14680	7.7
236.15201	6.9
237.16357	7.4
238.16702	6.2
246.13785	5.0
247.14702	8.8
249.16344	5.7
255.17642	9.2
256.17764	7.5
263.17896	9.2
269.18958	5.2
271.20294	5.4
273.16223	5.8
281.19131	4.9
299.20142	5.9
411.27585	6.0
412.27615	12.1
416.26199	4.4
493.68225	4.8
565.39465	10.3
583.41290	11.6
601.42639	31.9
624.97998	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	601.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26654	1.6
55.05512	7.9
57.07075	7.1
59.04998	1.9
65.03932	2.6
67.05508	9.4
69.03436	7.3
69.07077	2.9
70.63824	3.1
75.61976	2.1
79.05483	8.4
81.07063	12.5
83.04967	2.7
85.06545	2.0
91.05481	18.3
93.07047	23.1
95.04970	5.2
95.08588	14.5
95.21558	1.6
97.48369	1.8
105.04529	2.7
105.07027	26.6
107.08598	12.9
109.06521	6.4
109.10150	5.8
112.79559	1.5
117.07024	7.3
119.08585	32.2
121.06512	2.6
121.10144	14.2
123.08064	10.5
125.06011	3.9
128.06190	5.1
129.07004	6.8
130.07770	2.7
131.08563	11.7
133.10144	12.0
135.08066	6.9
135.11674	5.4
137.09631	7.9
138.09930	2.1
141.06918	1.9
142.07762	2.9
143.08578	8.9
145.10101	21.2
147.08041	17.4
147.11629	3.9
149.09660	5.1
151.07578	7.5
154.07802	2.0
155.08565	3.5
156.09331	4.4
157.10115	12.7
158.10730	3.0
159.08044	1.9
159.11664	11.1
160.78697	1.6
161.09633	5.2
161.13292	6.0
163.11203	5.0
165.07051	1.8
165.09120	30.9
168.09464	2.5
169.10165	6.0
170.10841	2.7
171.11644	8.0
173.13257	4.3
174.70639	1.9
175.11179	2.8
181.10132	2.8
181.12228	7.6
182.10916	3.5
183.11731	6.0
185.13322	4.5
187.11223	1.9
187.14853	3.9
189.12761	2.9
191.14308	2.0
193.10172	3.3
194.11089	2.2
195.11740	4.3
197.13318	5.1
199.11092	2.7
201.12708	2.4
203.14351	11.6
207.11789	3.6
207.13676	3.8
209.13181	5.6
209.15262	3.2
211.14838	4.1
212.15088	2.0
213.16362	2.5
221.15356	100.0
222.15735	7.9
223.14595	2.3
225.70667	1.6
231.13800	2.1
247.17009	3.7
249.16461	2.4
275.20123	2.4
283.20880	3.5
287.19952	7.3
297.22174	2.3
300.20743	4.3
301.21738	3.8
313.21725	2.9
340.23929	2.6
352.24139	2.4
353.24448	3.5
367.26297	9.3
375.26913	1.9
393.27982	2.5
428.28714	2.6
440.29294	3.8
441.29633	5.3
491.35504	8.6
521.35840	8.7
583.41003	12.1
601.42407	32.2
602.42474	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	601.424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	7.3
55.01881	3.4
55.05512	26.7
57.07078	15.4
59.04997	5.6
61.99927	2.7
65.03938	3.6
67.05509	26.3
69.03443	12.1
69.07070	25.0
71.04985	5.6
77.03942	4.0
79.05496	36.6
81.07053	37.8
83.04978	18.2
83.08627	14.1
85.06569	5.5
85.10177	5.1
87.04459	5.3
89.06025	28.5
91.05477	60.1
92.05828	5.2
93.07047	70.4
94.07368	2.8
95.04962	24.3
95.08609	46.5
97.06528	16.2
97.10210	3.5
103.05479	5.0
105.04555	4.2
105.07035	100.0
105.07741	6.0
106.07323	5.1
107.04944	6.1
107.08591	67.6
108.08913	6.7
109.06532	17.2
109.10149	35.9
110.10489	3.6
111.08080	6.5
113.09688	6.0
115.05429	5.4
116.06246	3.3
117.07044	22.9
118.86849	3.1
119.04999	3.1
119.06071	3.7
119.07740	6.0
119.08580	89.8
119.09421	4.7
120.08920	5.5
121.06521	14.1
121.10149	69.8
122.10473	4.3
123.08066	21.1
123.11727	7.6
125.09631	14.5
128.06201	16.6
129.07007	17.6
130.07797	8.3
131.08577	43.3
132.08994	3.6
133.06505	5.8
133.07721	2.8
133.08649	15.0
133.10127	60.9
134.10501	4.3
135.08052	19.0
135.11690	14.6
136.80415	2.8
137.09648	8.8
139.11151	6.5
141.07016	11.6
142.07800	19.9
143.08566	45.7
144.09143	6.4
145.06474	6.8
145.10124	68.3
146.10518	8.7
147.08040	14.3
147.11685	22.6
149.09628	17.8
149.13226	4.8
151.07567	5.7
151.11217	2.7
153.07054	4.7
154.07692	3.6
155.08548	14.4
155.10612	6.9
156.09325	17.7
157.10123	59.3
158.07292	2.5
158.10652	10.4
158.73018	2.8
159.08038	15.6
159.11711	41.0
161.09628	10.9
161.13240	8.2
163.11224	9.9
165.07001	4.9
165.09131	9.7
167.08572	8.6
167.09277	3.2
167.10680	41.0
168.09352	5.9
169.10124	31.0
170.10841	6.3
171.08113	2.9
171.11690	31.6
172.12123	6.4
173.09666	5.6
173.13280	22.5
174.13618	4.8
175.11189	10.9
175.14737	14.4
179.08589	7.7
180.09286	5.4
181.10130	16.6
181.12273	5.7
182.10808	7.5
183.11662	22.9
184.12361	6.0
185.09779	3.8
185.13260	24.4
186.13857	2.8
187.11092	4.0
187.14816	11.6
189.12772	14.5
191.14352	6.2
192.09360	5.6
193.10092	15.2
194.10851	9.9
195.11702	21.0
196.12341	10.1
197.13222	22.4
198.13747	5.8
199.11130	6.3
199.14844	12.7
201.12717	6.1
201.16399	6.3
203.14340	8.5
205.10168	3.1
206.10931	6.2
207.11678	12.6
207.13647	3.7
208.12392	9.9
209.13277	21.2
210.13838	6.4
211.14876	16.5
212.15309	4.6
213.12759	4.8
213.16350	4.6
215.14384	8.2
217.10100	3.3
217.15956	3.5
219.11740	6.6
219.13750	3.5
220.12476	5.6
221.13217	14.8
221.15382	21.4
222.15767	3.0
223.14807	16.8
224.15372	5.9
225.12837	2.8
225.16307	7.8
226.16776	4.8
227.14340	5.2
232.12422	3.8
233.13268	5.0
233.15375	23.4
234.13893	3.7
234.15967	5.1
235.14796	8.2
237.16376	8.2
238.16866	3.1
239.18044	5.0
243.11720	3.3
246.13803	4.2
247.14798	8.0
248.15332	5.3
249.16312	8.6
251.17934	6.0
255.17413	6.8
256.17838	8.4
257.19128	3.3
259.14761	4.5
261.16357	6.3
263.17947	6.2
265.19550	4.0
269.19031	6.7
270.19879	2.7
270.98834	2.9
273.18631	5.0
275.17639	4.6
281.19104	4.4
283.20535	5.2
287.20264	3.7
295.20517	4.6
297.21948	3.9
299.20288	3.9
361.24832	4.3
399.46286	3.2
409.28226	2.5
452.71414	3.3
497.97394	2.9
583.41278	7.5
601.26318	43.2
601.41559	16.4
602.26477	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	602.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
55.05515	2.2
57.03442	4.0
59.20458	0.9
61.02935	1.4
67.05514	4.6
69.03436	3.6
69.07077	1.8
69.31052	4.7
71.04981	0.9
73.02925	8.9
79.05488	4.9
81.03423	1.5
81.07079	5.5
83.08643	1.0
85.02915	6.7
86.09688	1.4
87.00850	1.5
91.05452	4.8
93.07044	3.0
95.04959	1.6
95.08598	5.6
97.02902	5.7
97.10211	0.8
105.07024	2.0
105.43597	0.8
107.04958	40.3
107.08620	2.4
109.02891	1.3
109.10116	1.8
115.03943	3.4
117.07030	1.5
121.02871	9.9
121.06494	5.3
121.10158	2.8
123.04458	1.9
125.00031	0.8
125.09666	1.6
127.03944	2.5
131.04958	2.1
131.08603	2.6
133.06479	13.4
133.10139	5.7
134.98102	0.9
135.04414	1.1
135.08139	0.9
137.09637	0.9
139.11198	2.4
144.05756	1.1
145.04979	1.8
145.06499	10.4
147.04491	1.9
147.08093	2.2
149.05952	4.0
150.07669	1.2
157.06508	9.8
159.08061	10.5
161.05992	6.2
161.09584	1.4
171.08047	6.5
173.06041	2.5
173.09726	1.3
175.07552	1.3
177.05478	1.8
179.10672	1.0
184.07454	1.8
185.09650	1.4
187.07632	0.9
195.08110	1.6
198.39751	1.0
211.11136	1.9
227.14322	8.4
237.12741	4.6
245.15355	1.9
255.13759	4.4
255.21080	1.4
270.40140	0.9
273.14865	100.0
274.15207	3.1
291.15939	33.8
291.23163	1.1
292.16098	1.0
301.21661	1.3
319.22809	1.2
341.11179	0.8
408.22879	1.0
602.27240	1.4
602.42621	1.1
603.27258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.4
55.01847	1.0
55.05517	3.5
56.05022	0.7
57.07082	0.5
58.99564	0.9
62.48784	0.2
65.03947	0.3
67.05508	12.6
69.03399	0.5
69.07072	6.1
69.16187	1.6
71.04986	0.4
71.08605	1.2
74.00322	0.3
74.00665	2.8
76.02231	1.7
76.03985	0.5
77.03912	0.3
79.05496	5.5
79.07326	0.3
80.04999	1.2
81.03387	0.9
81.07057	12.1
83.04979	1.2
83.06123	1.6
83.08636	1.3
84.04507	5.0
85.01125	0.5
85.06535	0.3
86.00653	2.4
86.99045	0.7
87.02676	0.6
88.01713	0.2
88.02223	0.9
91.05479	3.5
93.07050	6.7
93.51382	0.2
94.06566	1.0
95.04976	2.1
95.08611	11.5
96.54276	0.3
97.01080	1.2
97.06509	1.0
97.10146	0.9
98.00642	0.5
98.23503	0.4
99.01408	0.8
99.02645	0.5
99.05578	0.6
99.08088	0.4
100.02184	1.2
102.05550	0.4
105.07034	2.4
106.06615	0.4
107.06100	0.4
107.07919	0.3
107.08601	3.1
109.06512	0.7
109.10146	2.5
111.02647	0.9
111.08036	0.5
112.02194	4.5
113.00585	0.7
113.02960	0.5
113.09694	0.3
114.00108	0.4
114.03756	4.8
116.01683	2.9
117.07018	0.8
119.08591	3.5
120.08089	0.5
120.82217	0.3
121.10153	2.1
122.23936	0.3
123.02585	0.4
123.08051	0.9
123.11672	0.8
125.09560	0.3
126.03709	0.9
129.06508	1.3
130.05022	1.5
131.08540	0.8
133.10135	1.6
135.08064	0.6
135.11655	1.5
136.02342	0.2
136.03917	0.3
136.11200	0.5
137.04192	0.5
137.09627	2.5
137.13261	2.1
138.03748	0.5
138.12808	0.3
139.03204	0.4
139.05724	0.3
139.11176	0.6
140.05287	0.7
143.02731	0.7
143.08603	0.6
144.01140	0.6
145.06049	0.6
145.10123	0.9
147.11705	1.2
149.09605	0.3
149.13251	1.0
150.12788	0.6
151.05783	0.4
151.11166	1.0
153.07446	0.4
159.11710	0.3
161.13251	0.8
162.02161	0.7
162.12758	0.5
163.11182	0.3
163.14813	0.4
163.37741	0.3
164.14359	0.6
165.09041	0.2
165.12770	0.7
166.06824	0.2
167.08920	0.6
167.14337	0.3
169.04311	1.0
171.08470	0.3
171.11693	0.5
176.14406	0.6
178.12231	0.4
179.04855	0.5
179.08826	0.3
179.14285	0.6
181.06128	0.8
181.12251	0.5
185.03816	1.7
187.05370	0.6
189.03320	0.7
190.12453	0.3
190.15860	0.3
193.06122	0.5
193.15793	0.3
196.11555	4.7
196.13164	0.3
199.07053	0.4
206.09970	0.4
210.13156	0.6
215.04839	2.1
216.05656	2.0
216.10484	0.4
221.15456	0.4
224.11041	20.1
225.11574	0.6
229.06470	0.3
231.04362	2.7
231.21048	0.3
233.05936	1.2
240.10461	0.5
241.11319	1.3
241.19553	0.4
242.12105	34.6
243.12415	0.6
249.22116	1.2
252.10484	0.4
259.20566	0.6
269.10727	0.7
277.21631	5.6
278.21140	0.3
281.13287	0.4
282.15213	0.3
291.17755	0.6
292.22794	0.3
293.18860	0.3
294.24188	1.0
295.22656	4.2
297.12854	0.4
298.13504	0.8
299.14249	0.6
301.21622	0.3
306.24097	0.3
307.20996	0.3
308.09021	0.9
308.20435	0.3
309.18903	0.6
311.20151	0.2
317.19339	0.5
325.21881	0.7
326.21497	1.4
334.21915	1.3
335.20450	2.4
344.14023	8.2
345.14737	1.0
352.23022	12.0
353.21356	2.4
362.21280	0.3
370.24106	8.7
371.25018	0.3
380.22845	0.5
409.25250	0.9
454.24191	0.3
455.25757	100.0
456.26065	3.3
468.22568	0.3
509.26553	0.4
527.27966	4.4
539.28070	0.4
584.29706	0.8
585.28009	0.5
602.31067	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	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	9.5
55.01871	5.6
55.05516	8.0
57.03424	3.5
57.07078	1.4
61.02932	4.4
67.05502	7.1
68.99780	2.6
69.03065	1.6
69.03427	23.6
69.07059	7.6
71.04982	5.7
71.23254	1.4
72.69410	1.0
73.02918	7.3
77.03923	1.2
79.05489	22.0
80.61888	0.9
81.03416	27.0
81.07056	64.7
83.04992	1.1
83.08591	8.0
85.02905	60.3
87.00829	34.3
87.01220	0.8
87.04446	1.8
91.03975	2.4
91.05489	6.4
93.07052	10.5
95.04954	3.2
95.08610	18.1
97.02895	46.0
97.06528	6.9
97.10154	1.8
98.14001	1.0
99.04459	13.7
105.01862	36.5
105.07029	20.0
107.04942	3.6
107.08597	16.9
108.04511	1.4
109.02177	2.1
109.02882	30.5
109.06522	2.9
109.10154	15.7
111.04472	1.7
111.08097	2.3
111.11692	1.7
115.03934	1.1
117.01856	2.5
117.07022	2.6
119.08577	20.1
121.10154	10.7
123.08115	2.0
123.11712	6.8
125.05991	33.0
125.09573	1.1
127.03915	50.4
129.01791	2.7
129.06955	1.3
131.08574	11.0
133.06474	2.3
133.10126	14.2
135.08080	1.4
135.11693	3.6
137.05954	4.5
137.13277	2.8
143.08536	4.4
145.04967	25.8
145.10141	17.4
147.02873	3.6
147.08026	3.0
147.11670	13.6
149.06006	1.8
149.13245	5.9
151.07520	2.1
157.10165	5.9
159.02902	14.6
159.11700	10.0
159.49174	1.1
161.09613	3.1
161.13280	6.0
163.07524	1.2
163.14827	2.6
165.09122	2.2
171.11745	5.5
173.09573	1.9
173.13257	8.7
175.11192	2.5
175.14819	15.0
177.09074	2.3
177.16434	3.1
185.13237	6.7
187.14822	4.3
189.12772	1.5
191.10664	2.9
199.11212	1.3
199.14841	7.2
201.12775	2.2
201.16467	2.2
203.14323	35.5
205.12187	1.9
213.03986	4.4
213.12822	1.2
213.16376	2.3
219.13838	9.2
221.15355	16.4
227.14394	1.5
227.17973	1.6
229.19467	6.6
231.04993	18.8
233.15314	3.2
239.17935	1.3
245.15378	1.8
249.06003	6.2
255.21075	13.4
257.19070	1.4
271.20532	3.7
273.22153	9.6
283.20523	10.4
301.21622	100.0
302.21857	4.0
319.22717	11.8
387.68280	1.2
446.20877	1.3
451.19675	12.1
481.20859	1.7
519.26135	1.2
531.25751	2.2
549.26971	22.0
566.01868	1.0
581.04480	1.3
602.27710	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	602.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	6.0
53.04197	1.0
55.01870	8.5
55.05513	4.5
57.03444	5.2
61.02943	6.7
63.99068	1.1
65.03903	1.9
67.05503	11.7
68.99787	3.0
69.03432	34.9
69.07066	6.1
69.71430	3.5
71.04987	5.7
73.02914	6.1
79.05489	10.3
81.03417	30.2
81.07054	23.5
83.01313	1.2
83.08612	3.9
85.02904	83.9
85.69926	1.1
87.00831	35.5
87.04444	1.9
87.09177	1.3
91.03929	1.3
91.05473	9.6
93.07046	17.6
95.05003	1.6
95.08597	22.1
97.02892	29.0
97.06517	2.1
97.10184	3.1
99.04449	13.8
104.91537	1.1
105.01868	35.5
105.07030	25.5
107.04926	1.5
107.08589	23.4
107.09263	2.2
109.02879	37.0
109.06533	1.5
109.10159	22.6
111.04482	2.2
111.11724	1.3
115.03959	2.2
117.01869	3.4
117.06994	3.0
119.08582	16.4
121.06558	1.4
121.10138	18.0
123.08060	1.5
123.11699	8.5
125.06001	3.9
125.09624	2.4
127.03915	55.5
127.71715	1.0
129.01865	4.1
129.07018	1.8
131.08553	16.7
133.06496	1.5
133.10126	19.2
135.11684	11.0
137.13283	2.3
139.11249	1.6
140.04225	1.1
141.38922	1.2
143.08572	7.8
145.04945	26.4
145.10118	31.7
147.08104	1.4
147.11682	27.5
149.13249	12.4
151.11185	3.3
152.89276	1.2
154.85114	1.1
155.08592	1.3
157.10118	9.4
159.02885	15.5
159.11699	19.9
161.13272	14.2
163.14816	4.3
167.10747	1.5
169.10294	1.6
171.11708	8.6
173.13237	16.8
174.13802	1.5
175.14819	5.6
177.04051	1.2
177.12749	1.9
179.10670	3.7
183.11610	1.6
185.13272	11.4
187.14801	6.3
189.04007	1.5
189.16441	1.9
191.14345	2.0
193.12273	11.0
197.13222	2.2
199.14789	13.2
201.16428	2.4
203.14330	3.2
205.12236	3.6
213.03943	6.9
213.16403	6.0
215.18011	2.2
217.12122	1.6
223.14905	1.8
227.17865	8.4
229.19481	6.1
231.04979	23.2
231.21036	1.5
239.18028	2.2
245.15446	1.8
249.05943	5.7
253.19597	2.0
255.21065	67.3
256.21402	2.0
257.22690	3.4
265.19455	2.1
271.20706	3.4
273.19199	1.5
273.22125	36.5
283.20602	5.8
289.21661	1.6
291.23166	20.8
301.21600	100.0
302.21927	3.2
304.18887	1.2
314.90439	1.4
319.22656	29.0
337.23633	2.6
363.23111	1.5
381.24179	2.5
394.44000	1.2
409.23672	1.4
427.24872	3.0
463.26834	4.7
485.25290	4.1
503.26608	5.8
507.00778	1.5
513.25110	2.3
518.73468	1.5
521.27612	11.5
531.25812	6.6
539.28717	2.1
548.93329	1.2
549.26807	9.8
567.27972	22.4
585.29614	2.1
631.75397	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61084	2.6
53.03950	7.8
55.01871	8.6
55.05514	3.4
58.41563	2.6
61.52887	2.2
67.05502	10.1
69.03430	25.3
69.07076	5.5
70.38628	4.7
71.04980	5.7
73.02914	7.5
75.37705	2.6
79.05489	16.0
81.03424	26.2
81.07050	25.4
83.08638	3.5
85.02911	67.0
87.00840	37.7
91.05467	10.9
93.07030	18.5
95.04959	4.0
95.08613	23.7
97.02899	36.2
98.23587	2.9
99.04467	14.0
99.15022	2.5
101.85675	2.5
105.01865	31.0
105.07043	24.8
107.08575	25.2
109.02896	31.6
109.10134	13.9
111.08101	4.6
119.08569	17.3
121.10100	13.3
123.11725	7.4
124.03178	3.0
125.06012	4.3
127.03910	52.1
127.84709	2.7
129.01840	4.0
129.06996	2.7
131.08618	13.1
133.10121	15.3
135.11723	5.6
137.13197	3.2
143.08543	5.4
145.04958	23.6
145.10120	24.5
147.11638	14.3
149.13275	10.3
157.10132	11.8
159.02957	12.9
159.11717	12.6
161.09622	4.3
161.13300	8.3
171.11780	6.3
173.13280	16.1
175.14844	10.8
185.13261	7.0
199.14827	9.4
203.18045	3.3
213.03957	6.6
213.16443	5.9
227.18053	6.2
229.19548	3.6
231.04993	16.6
249.06070	5.9
254.79445	2.9
255.21074	38.3
273.22147	36.2
283.20605	4.3
283.23975	4.1
291.23102	3.7
301.21628	100.0
319.22662	24.8
320.23151	2.9
485.24969	3.9
531.25983	7.2
549.26978	27.8
550.14673	3.0
567.28040	21.2
577.11877	2.7
602.27789	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	602.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.3
55.01869	10.1
55.05519	1.7
55.06412	0.9
57.03429	5.2
61.02924	6.0
67.05508	3.6
68.99785	3.5
69.03427	33.8
69.07068	2.0
70.18509	2.5
71.04995	5.0
72.87273	1.0
73.02925	8.1
73.41212	1.0
79.05496	2.6
81.03417	28.8
81.07050	6.4
85.02904	100.0
86.03239	1.2
87.00826	43.0
87.04476	1.5
91.03947	1.4
91.05499	3.9
93.07057	6.2
94.06503	1.0
95.04937	1.1
95.08624	6.5
97.02889	48.5
97.10188	2.7
98.22813	1.2
99.04455	17.4
99.05070	1.4
105.01864	63.6
105.07014	5.4
107.08615	7.1
108.04514	5.0
108.16177	1.1
109.02878	41.4
109.10158	7.4
115.03944	1.2
117.01852	3.6
117.07024	2.7
119.08557	5.9
121.10159	4.8
123.11709	2.4
126.05545	1.3
127.03913	82.0
129.01842	5.4
130.20946	1.1
131.08568	4.8
133.10156	4.0
135.11696	4.7
144.38800	1.4
145.04956	43.6
145.10075	6.1
147.02908	3.3
147.11708	7.8
148.34801	1.1
149.13260	4.0
157.10124	2.2
159.02887	20.1
159.11662	7.0
161.13258	3.8
173.13226	7.4
175.14771	1.3
177.03870	1.5
177.12782	3.0
185.13298	3.6
191.14291	3.5
193.12242	2.4
199.14854	4.3
201.16547	1.1
205.12169	1.1
213.03975	5.5
213.16405	1.9
215.14624	1.3
227.18001	1.5
231.04984	31.8
245.22606	1.6
248.07721	3.8
249.06062	11.0
255.21071	42.7
266.08636	1.9
273.22122	47.7
283.20660	4.8
301.21603	27.0
302.22183	1.5
319.22711	15.6
337.23654	2.1
400.14807	1.0
503.26138	2.1
531.26013	1.6
549.26965	14.2
564.70667	1.2
602.26923	10.5
602.42316	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	602.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83004	1.1
53.03946	4.6
55.01859	2.0
55.05502	6.1
56.75388	1.3
57.03428	3.3
57.07070	1.4
61.02932	2.9
65.03928	1.5
67.05500	8.4
68.22780	1.2
69.03433	13.8
69.07063	6.1
71.04982	2.0
73.02933	2.0
76.02232	1.7
79.05490	32.8
81.03415	13.9
81.07057	100.0
81.31815	1.4
83.08621	4.0
85.02906	31.8
85.06548	1.3
86.06023	1.6
87.00834	13.7
91.05465	11.4
93.07042	14.3
95.04974	4.8
95.08616	16.8
97.02891	23.3
97.06519	9.4
97.10155	2.5
99.04443	7.2
105.01868	26.3
105.07029	13.8
107.04977	3.4
107.08577	12.1
109.02865	14.4
109.06516	4.1
109.10157	12.9
111.04429	1.8
116.01675	2.4
117.06982	1.4
119.04944	1.5
119.08582	16.8
121.06535	2.3
121.10146	8.0
121.60567	1.3
123.11703	6.4
125.05994	49.3
127.03917	25.1
129.07091	1.6
131.08588	8.5
133.06508	1.5
133.10127	9.0
135.11687	6.2
137.05952	6.2
143.08554	4.4
145.02936	1.3
145.04956	15.3
145.10118	8.9
147.04489	2.1
147.08038	2.8
147.11661	8.7
149.13287	4.1
151.07581	2.3
155.08577	1.7
157.10095	4.2
159.02893	6.9
159.07982	2.0
159.11708	7.5
161.09740	2.6
161.13312	2.3
162.02200	3.9
163.07564	2.3
163.14865	2.1
165.09096	1.7
171.11684	4.2
173.13284	5.3
175.11218	2.8
175.14806	7.9
177.05441	3.3
177.09120	2.3
177.16377	2.7
183.11653	3.3
185.13287	6.1
187.14882	2.5
189.12689	1.7
191.10629	3.0
193.12288	2.0
199.14890	3.3
201.12779	3.8
203.14307	23.0
213.04019	2.4
219.13820	15.6
221.15392	15.9
227.14479	1.7
229.19556	1.8
231.04964	10.1
243.14217	1.4
245.15253	1.8
249.06169	7.7
255.21091	13.5
257.22519	1.6
271.20618	1.8
273.22168	7.8
276.96045	2.1
277.21658	10.0
283.20544	12.5
301.21619	55.2
302.21982	2.8
319.22614	5.7
370.24136	2.9
423.14508	1.2
451.19702	2.8
455.26535	2.2
473.26883	3.6
485.25140	1.5
488.26111	1.6
513.25098	1.9
531.25934	4.1
549.26849	14.9
602.33197	9.7
603.28381	2.1
608.14087	1.8
629.40784	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	602.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.7
55.01877	10.4
57.03442	7.7
61.02938	3.9
61.70284	2.7
69.03428	39.4
69.15385	7.8
69.15797	10.7
71.04987	4.7
73.02914	11.4
81.03414	31.4
81.07043	5.1
85.02906	100.0
87.00835	46.4
88.39774	2.8
91.05473	2.9
95.08633	7.4
97.02886	46.1
97.10162	5.4
98.44265	2.7
99.04446	22.4
105.01869	69.8
105.02538	5.4
105.07005	5.7
107.08576	3.1
108.04490	5.3
109.02892	43.8
109.10135	4.7
117.01894	7.5
117.07046	4.3
119.08605	5.1
121.10190	3.5
127.03922	96.3
129.01863	4.1
131.08505	4.2
133.10196	2.9
145.04956	42.2
145.10120	5.4
147.02951	3.7
147.11702	4.6
149.99361	2.5
151.86732	2.6
159.02885	18.8
159.11722	6.7
161.13350	3.8
173.13280	7.7
184.07265	2.5
191.14316	5.9
199.14853	3.0
213.03958	7.1
218.23257	2.6
231.04990	38.5
232.68079	2.6
249.06055	10.9
255.21068	28.6
273.22128	42.0
291.23282	4.1
301.21655	10.4
319.22662	12.4
337.23849	4.5
369.57144	2.5
405.26913	2.6
549.27039	14.8
602.26569	30.3
603.28180	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	602.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.0
56.05023	1.0
57.03437	0.6
58.06593	1.0
58.13386	0.4
59.07378	0.5
60.08162	6.6
67.05503	2.5
69.07063	1.4
71.07372	4.8
79.05479	1.0
81.07037	2.4
83.08608	0.8
86.09705	23.0
87.10044	0.4
91.05499	0.5
93.07046	1.2
95.08592	2.1
102.09181	0.7
104.10741	100.0
105.07041	0.6
105.11092	1.6
121.10143	0.6
124.99971	2.9
146.98199	1.5
156.97496	1.8
163.01544	0.6
164.98114	0.6
174.98564	1.5
181.02612	1.0
182.99046	10.0
184.07356	0.9
194.99098	0.5
198.98428	0.9
201.00095	11.5
201.01884	0.8
202.00269	0.6
206.00587	0.6
208.92931	0.6
210.94543	0.5
213.00053	1.3
216.99541	0.7
221.00626	1.9
224.01671	0.5
225.00114	1.8
239.01657	7.0
240.10004	3.4
243.01141	2.9
262.03244	0.9
265.03043	0.5
266.02988	0.5
266.06451	1.8
268.00406	1.0
281.02585	0.7
284.07419	3.1
303.21677	1.8
307.09033	0.6
321.22800	4.2
322.01346	0.9
337.27374	1.2
339.23788	1.4
344.05789	0.4
397.42291	0.5
427.20886	0.5
439.20935	0.6
457.22119	2.5
483.24072	1.7
486.28290	2.5
502.33121	1.2
542.31592	5.0
584.32001	0.9
602.33032	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	602.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77769	0.3
53.36823	0.3
55.05514	0.4
56.05038	0.7
56.50805	0.3
57.07056	0.5
58.06595	1.3
60.08162	6.9
62.86591	0.3
67.05514	1.6
69.07060	1.2
71.07375	3.1
71.46619	0.4
73.72212	0.4
77.00924	0.4
79.05471	0.4
79.13024	0.4
81.07053	1.2
83.08604	0.6
86.09190	0.7
86.09707	13.0
91.05514	0.5
92.46196	0.4
93.07079	0.6
95.08607	1.4
97.10194	0.3
104.10744	100.0
105.11093	1.1
107.08613	0.5
109.06376	0.3
109.10152	0.5
125.00013	1.1
138.46497	0.4
156.97470	1.3
163.01575	0.7
174.98523	0.9
182.99062	6.2
190.59460	0.3
198.98578	0.4
201.00081	6.3
201.75153	0.4
206.00642	0.6
213.00255	0.6
216.99730	0.6
221.00667	0.9
224.01784	0.6
225.00172	1.1
238.83063	0.4
239.01659	2.8
240.10014	1.0
243.01085	1.9
262.03464	0.4
266.02704	0.3
266.06421	0.8
284.07492	2.0
303.21732	0.7
321.22696	2.8
337.27402	0.5
339.23770	1.2
340.00879	0.3
348.45889	0.4
426.07565	0.5
457.21762	1.3
483.23889	1.1
486.28287	1.8
502.33020	1.0
542.31476	2.8
584.32275	0.7
602.32983	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	602.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58027	1.5
53.03941	4.7
55.01876	5.3
55.05516	2.2
57.03439	3.4
59.88034	1.4
61.02938	5.1
67.05502	8.8
68.84861	1.6
69.03432	29.3
69.07072	2.2
70.94648	1.4
71.04980	3.7
73.02917	5.3
79.05505	6.3
81.03417	20.1
81.07053	21.7
83.08624	5.6
85.02908	83.2
87.00836	32.7
91.05477	9.7
93.07048	15.0
95.08612	19.0
97.02894	21.7
97.06570	2.2
99.04455	11.5
105.01868	59.2
105.07030	16.7
107.08601	13.9
109.02882	24.9
109.10131	8.6
117.01900	2.8
117.07009	2.4
119.08589	14.5
121.06484	1.7
121.10167	11.6
123.11683	2.7
127.03920	51.9
129.01840	1.8
131.08583	5.8
133.10144	16.7
135.11713	22.6
145.04953	27.9
145.10132	8.4
147.02879	2.2
147.11694	13.5
149.13245	13.8
159.02902	9.8
159.11713	6.3
161.13278	9.8
163.14818	5.0
165.12808	1.9
168.45940	1.7
173.13297	7.8
175.14844	6.7
187.14781	7.7
189.03999	2.8
189.16376	6.1
201.16377	10.2
213.03935	3.8
215.17863	2.4
219.17651	2.5
227.17979	2.3
231.04999	23.6
249.06119	14.7
255.21127	2.9
257.22662	22.1
258.22739	1.9
283.24197	100.0
284.24512	5.4
301.21631	6.2
301.25308	24.9
319.22690	7.3
391.95422	2.1
602.27338	29.2
602.37476	3.6
603.27594	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.3
53.31076	0.4
55.01871	4.6
55.05512	4.3
57.03437	4.0
61.02924	4.5
65.03938	0.9
67.05510	10.4
68.99806	2.6
69.03432	27.7
69.07072	4.0
69.41926	1.1
69.42316	1.1
69.66409	0.5
71.04979	2.8
73.02931	3.9
75.24137	0.5
77.03934	0.5
78.92854	0.4
79.05495	7.4
81.02956	1.1
81.03422	17.7
81.07059	25.5
83.04980	0.8
83.08617	5.7
85.02908	66.4
87.00831	31.5
87.04501	0.9
87.94060	0.5
91.03960	1.2
91.05476	9.4
93.07046	21.8
95.04952	1.2
95.08607	36.8
96.08949	0.7
97.02895	27.3
97.10172	1.6
99.04461	9.3
101.02397	0.5
103.03949	0.7
105.01871	51.6
105.07034	17.3
107.08595	18.6
108.04485	0.7
109.02881	22.9
109.10166	11.6
115.03939	1.2
117.01844	2.2
117.07033	2.4
119.08585	15.0
121.09264	0.8
121.10146	14.9
121.10988	1.1
123.11709	4.3
127.03918	53.3
129.01830	2.1
129.06990	1.0
131.08592	6.9
133.09169	0.9
133.10133	13.7
135.11690	13.9
137.13229	1.3
143.08574	1.9
145.04962	24.4
145.10118	10.2
147.02876	1.8
147.04321	0.4
147.11690	15.6
148.12016	0.6
149.13264	10.2
151.11156	1.0
151.14851	0.7
157.10155	2.0
159.02888	9.3
159.11700	10.4
161.13264	12.9
163.14821	6.3
171.11668	1.9
173.13255	9.1
175.14835	11.0
177.16380	0.9
185.13287	2.7
187.14810	9.2
189.03934	2.0
189.16367	7.2
190.16731	0.7
199.14812	3.6
200.80571	0.5
201.16389	8.8
203.17967	3.7
205.15691	0.6
213.03938	2.9
213.16360	6.4
215.17950	14.7
216.18227	0.8
225.16479	0.5
227.17940	3.6
231.05000	21.7
231.07320	1.1
231.21066	2.6
233.18956	1.5
241.19554	2.3
249.06056	14.7
255.21019	1.5
257.22650	39.0
258.22943	1.3
273.21994	0.6
281.22653	0.9
283.24200	100.0
284.24609	4.5
285.25739	1.1
301.21640	1.9
301.25220	23.3
302.25412	1.0
319.22629	3.5
319.25992	0.8
383.30240	0.5
513.28259	1.2
531.29236	1.9
549.30591	7.0
584.27356	0.6
602.27838	6.4
602.42993	3.8
603.27094	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	603.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73285	0.3
69.78682	1.1
80.07742	0.3
82.60291	0.3
82.79231	0.3
137.83713	0.3
144.99509	0.3
145.50749	0.3
152.95888	0.3
185.04193	1.7
193.46188	0.4
232.07120	0.5
242.57199	0.3
425.12314	1.0
440.14368	2.0
441.15219	2.7
459.22476	0.4
460.09348	0.3
557.78113	0.3
603.20575	100.0
603.29584	8.1
604.20721	5.5
604.28497	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2163
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09719	1.8
145.02817	2.0
177.05530	4.1
181.04959	2.4
203.05222	1.5
223.95486	1.2
244.06036	1.6
265.15604	1.4
277.09680	1.9
317.18854	1.2
359.09937	1.6
363.09650	3.2
375.42542	1.2
391.12729	2.6
395.13306	1.2
408.10205	5.3
409.10760	1.2
539.16553	1.6
543.19617	1.5
571.18976	48.6
572.19287	2.2
603.21198	100.0
603.30017	29.3
604.21204	4.8
604.30310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03588	0.4
55.36145	0.4
56.96557	0.4
57.07071	0.5
58.27315	0.3
62.17659	0.3
67.05477	0.4
69.14993	0.8
69.15408	1.6
70.06602	2.0
72.64278	0.3
81.07019	0.3
88.07636	2.0
98.97579	2.0
102.09155	1.8
102.58939	0.4
103.09528	0.4
110.97563	0.9
116.98656	0.4
119.47490	0.3
143.00092	0.3
149.02333	3.6
150.02673	1.0
158.99657	0.3
164.92828	0.3
167.07356	0.3
167.55550	0.3
172.85063	0.4
193.04936	4.2
194.05283	1.1
200.20074	4.1
201.20473	2.2
202.09642	0.4
203.05244	1.1
219.01768	0.5
237.07600	1.0
259.07910	1.9
323.05673	0.3
331.18640	0.5
341.06802	0.7
342.06882	0.6
355.94070	0.4
357.34586	0.3
385.09048	1.3
386.09323	1.2
405.22562	3.1
415.21277	0.5
429.11584	1.3
429.16998	0.4
430.12207	2.1
441.20120	0.4
485.20007	0.8
517.24951	1.0
523.72156	0.5
535.26031	2.6
559.25574	0.7
567.27814	14.8
568.28479	0.5
577.26617	0.6
602.29303	1.5
603.25153	100.0
604.25757	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	603.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06577	1.9
78.27355	0.4
88.07631	1.7
88.62474	0.4
98.16958	0.5
102.09140	0.6
126.62085	0.5
149.02307	2.0
160.77979	0.5
193.04976	1.4
194.05327	0.9
200.20108	2.1
200.76625	0.5
201.20386	1.2
311.56204	0.6
360.61166	0.6
385.08972	0.8
386.09390	0.8
405.22449	2.3
567.27747	12.4
602.29431	0.7
603.25238	100.0
604.25531	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	603.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
63.45377	0.3
69.08377	0.3
70.06599	0.5
70.37856	0.7
72.46432	0.3
98.97595	0.8
112.40882	0.4
112.91800	0.3
118.09507	0.3
130.47197	0.3
131.42400	0.3
136.43491	0.3
137.05936	0.7
181.04942	0.5
185.04190	1.8
203.05252	0.6
231.03450	0.3
246.70044	0.4
259.07919	0.9
291.12631	0.7
297.16653	0.3
363.08606	0.6
411.17194	0.3
425.11993	1.1
440.14435	1.5
441.15585	2.4
441.24460	1.9
459.21918	4.9
461.19916	1.5
487.21338	0.7
517.22015	0.4
528.54498	0.4
543.20886	1.7
585.28088	0.3
603.20209	100.0
603.29761	73.5
604.20544	8.1
604.29987	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	603.2993
Annotation	His Gln Tyr Arg
Peak:m/z	Relative Intensity
56.16974	0.7
69.51022	0.8
69.51358	2.5
70.06556	0.6
85.02921	0.9
86.09711	1.2
89.66725	0.6
91.05488	0.7
95.08613	0.7
98.22742	1.3
105.07022	0.9
107.08577	1.0
113.69935	0.7
164.91116	0.7
175.03743	0.7
185.04292	0.9
203.05298	1.0
205.04735	8.1
218.05493	1.3
259.07697	0.8
283.20624	0.7
293.09912	2.6
301.06824	1.5
301.21591	2.5
307.11563	3.5
319.22830	1.9
363.08530	3.0
366.53281	0.7
367.20749	0.9
408.10239	1.5
441.24600	3.0
459.21930	5.7
461.19778	2.0
487.21518	0.8
603.20013	41.9
603.29688	100.0
604.20459	4.9
604.30060	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	603.2993
Annotation	Unknow
Peak:m/z	Relative Intensity
67.25562	0.6
69.50570	2.2
86.09721	0.9
94.00265	0.6
98.23390	1.3
98.97562	0.8
119.97446	0.7
155.03159	1.4
266.65060	0.6
417.11832	0.7
440.14233	1.1
441.24783	3.5
459.22034	6.2
461.19907	1.8
487.21524	1.2
561.16260	2.3
603.19879	33.5
603.29626	100.0
603.83453	0.8
604.20148	3.2
604.30048	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	605.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03006	0.5
54.64083	0.6
64.03175	0.6
67.47727	0.5
70.06583	1.1
105.20161	0.6
107.74100	0.5
137.05949	1.2
177.05473	0.5
185.04185	0.7
189.05174	4.7
198.81395	0.6
199.88881	0.5
204.03920	0.5
427.13611	2.0
442.15820	1.4
443.17221	3.1
443.22153	0.6
461.06683	0.7
509.90182	0.7
605.22046	100.0
606.22150	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	605.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.32673	0.2
69.11971	1.9
69.69994	0.2
70.06219	0.2
70.29144	0.2
75.62341	0.2
83.01055	0.3
84.01876	0.3
95.01075	0.6
98.23447	0.5
113.02112	0.7
125.36310	0.3
140.82202	0.2
157.04675	0.3
167.03259	0.3
185.04218	1.2
185.05640	0.3
246.04999	0.5
398.02188	0.3
472.69250	0.3
489.41556	0.3
605.22180	100.0
606.22546	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	605.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.66309	0.2
68.81931	0.2
70.06596	1.5
71.06947	0.2
71.47633	0.2
71.59966	0.2
72.08156	0.3
84.04529	0.2
84.08145	0.9
91.28039	0.2
97.06562	0.4
101.12187	0.2
105.07051	0.2
112.07595	1.1
121.06606	0.2
140.07086	0.5
167.06978	0.3
181.05141	0.2
181.87874	0.2
259.46552	0.2
333.07941	0.4
368.81985	0.2
397.12561	1.4
427.27716	0.2
443.17188	0.3
510.71057	0.2
573.21790	0.5
590.19464	0.4
605.22052	100.0
606.22430	6.6
611.59143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28136	0.4
57.89380	0.3
61.53251	0.3
71.35674	0.5
72.08160	0.4
80.02410	0.5
83.01094	0.9
88.81969	0.4
93.07019	0.4
95.01096	1.2
99.68806	0.4
106.04171	0.6
107.05005	0.4
113.02122	2.2
117.03412	0.4
141.05219	0.9
145.02870	0.4
149.05940	0.7
163.03926	2.0
169.04732	1.8
185.04210	4.0
187.05791	2.1
214.76804	0.4
217.04823	2.2
217.08414	0.7
232.04736	0.9
232.07057	18.3
233.07845	5.0
340.33438	0.5
375.83496	0.4
395.13138	2.4
411.14059	3.8
458.82751	0.4
459.16519	0.5
605.22003	100.0
606.22430	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	605.271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57158	3.4
53.75127	4.0
59.59649	4.1
65.43642	4.3
69.03435	9.4
82.62634	3.6
85.02905	20.9
97.02905	4.4
137.05994	45.2
161.05978	8.1
162.06799	5.2
171.04395	4.3
201.05490	28.0
213.05492	5.4
234.06717	10.9
235.07510	7.2
247.07599	10.4
249.09195	7.1
262.06250	15.1
265.08469	4.9
273.05499	5.7
275.07095	6.5
277.08630	14.5
290.05704	26.6
295.09515	4.7
305.08096	48.7
306.08969	4.1
307.09592	13.2
319.09634	4.8
325.10660	28.6
337.06903	7.6
337.10703	100.0
355.11765	57.1
587.25610	6.7
605.26984	46.9
629.88177	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	605.2936
Annotation	CHEBI:70544
Peak:m/z	Relative Intensity
59.04990	0.7
64.62627	0.6
66.09734	0.6
71.09583	0.6
71.31905	0.5
79.05486	0.9
81.07060	0.8
87.04471	6.8
88.04820	0.7
91.05485	0.9
93.07059	0.8
95.08630	0.8
98.23456	1.1
105.07067	0.6
119.08612	0.9
135.04387	0.8
157.10245	0.7
159.11824	0.6
163.03915	2.3
192.14684	0.7
205.78059	0.6
289.05414	3.2
397.40884	0.6
561.30267	4.6
605.29333	100.0
606.29663	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	606.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24115	0.6
58.22055	0.6
60.06083	0.6
63.39698	0.6
66.91827	0.6
70.03139	1.2
70.03499	1.4
73.34579	0.6
95.08692	0.7
111.81606	0.6
148.04379	0.7
182.09686	0.8
284.19843	0.6
288.87604	0.7
325.14703	1.0
363.15665	1.0
373.14279	0.8
375.16220	1.3
376.16681	0.9
387.15036	2.0
388.15424	4.8
389.17731	2.8
390.18393	3.2
400.15872	2.3
401.16693	3.3
402.17203	12.1
403.17957	7.8
404.19266	2.1
405.20847	1.6
412.15546	0.7
413.17322	0.8
414.17380	3.1
415.18045	3.9
416.18802	13.8
417.19754	6.9
427.18301	1.2
428.18829	4.0
429.19760	4.6
430.20706	5.8
431.21704	3.7
432.22150	15.6
442.20590	2.8
443.21188	2.5
444.22836	3.9
445.19699	1.5
446.19745	3.3
447.20547	1.1
454.20786	0.9
456.18335	1.9
457.19064	1.9
458.19263	2.3
458.23715	3.8
459.20471	9.0
460.21472	18.5
461.22873	2.5
471.20554	2.2
472.21408	9.0
473.22150	1.3
474.19650	1.0
475.20602	2.0
486.22925	15.6
486.29422	1.2
487.23883	7.8
488.20972	1.9
489.21576	1.0
490.22955	1.5
491.19662	4.2
498.22849	0.8
500.20572	4.6
501.25467	6.9
502.25839	0.9
504.20480	2.0
514.22443	4.3
515.23169	10.7
516.20581	2.8
518.25391	1.4
519.22675	1.1
530.25610	6.9
531.22510	9.2
532.23547	1.6
542.22211	0.9
546.25043	9.6
547.25592	1.1
574.24475	28.9
575.24457	1.2
592.25500	11.2
606.27118	100.0
607.27271	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	606.458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89480	2.0
53.03942	4.2
55.05302	2.3
55.05516	27.9
57.03439	4.8
57.07064	8.4
62.63884	2.0
65.03944	2.3
67.05163	3.7
67.05508	70.5
67.30216	2.5
69.06709	2.5
69.07070	36.1
71.04989	3.0
71.08615	4.2
79.05502	17.0
81.07059	95.1
83.08622	32.2
91.05468	10.3
93.07051	20.0
95.08608	87.7
97.06511	4.8
97.10174	26.2
105.07039	5.0
105.28227	1.9
107.08608	14.4
107.09220	2.7
109.10165	39.5
109.78099	2.1
111.08121	4.8
111.11717	10.6
117.06986	3.7
119.08601	5.6
121.10149	23.5
123.11717	15.7
125.05982	8.7
125.09598	2.2
131.07202	2.3
131.08562	5.7
133.10114	6.6
135.11710	15.9
137.09561	3.8
137.13272	6.7
143.41037	2.0
145.10165	5.0
147.11678	7.2
149.13274	6.1
151.14732	2.4
161.13260	4.5
165.16449	2.0
173.13232	2.5
175.14815	3.3
177.16451	2.5
184.07330	3.3
263.23505	4.5
263.96609	2.1
296.14120	3.2
341.32004	4.6
359.33148	17.3
361.34421	3.5
377.34290	12.1
387.32562	8.9
405.33612	9.9
415.35526	4.3
420.85873	2.2
479.37357	33.3
497.38446	33.8
498.38904	3.7
553.41022	41.3
571.42072	100.0
572.42175	7.8
606.35364	3.0
607.25537	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	607.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52328	4.0
57.81447	3.9
62.48180	4.4
66.67921	3.7
69.47992	19.6
70.06603	9.0
75.76022	4.0
86.09700	6.1
98.23487	4.6
122.04957	4.1
205.04732	17.3
307.11310	6.5
479.20358	4.5
575.17053	5.5
607.16187	100.0
607.24634	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29551	1.2
56.19581	1.6
62.72205	1.4
65.16887	1.3
67.05498	2.7
71.27126	1.6
81.07041	4.0
85.02873	2.8
93.07046	1.8
95.08592	4.4
107.08565	2.4
108.44923	1.3
109.10107	3.9
110.10442	1.4
121.10130	2.1
133.10001	1.6
135.11711	1.7
149.13223	2.4
155.61246	1.4
176.45602	1.6
182.37688	1.4
271.04300	2.1
281.23184	1.4
287.23618	2.0
301.20248	1.5
306.24918	1.9
395.10956	2.2
410.13339	8.2
475.62299	1.7
607.20984	100.0
608.21106	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
86.09673	1.1
98.22697	1.7
100.11232	2.5
143.61023	1.0
152.44804	1.0
182.15482	1.8
187.84801	0.9
188.76965	1.2
210.14896	2.1
253.56067	0.9
350.32074	1.0
395.10730	3.6
410.13293	8.0
427.05750	1.0
563.27692	3.2
606.45197	1.8
607.20807	100.0
608.21155	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	607.2154
Annotation	Kadsuphilol L
Peak:m/z	Relative Intensity
56.86912	0.5
62.85520	0.5
64.95898	0.6
70.06602	1.7
70.16846	1.2
108.03423	0.5
117.26849	0.7
137.78009	0.6
361.10263	1.4
365.10077	1.3
377.10019	1.4
380.12314	2.1
392.12109	2.6
395.11099	4.3
410.13434	6.4
411.14096	1.2
577.20709	1.2
607.21448	100.0
608.21893	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	607.2552
Annotation	Kadangustin D
Peak:m/z	Relative Intensity
53.69614	0.5
55.05504	0.9
57.17366	0.5
63.04748	0.4
67.05506	2.0
69.07050	0.8
69.40351	0.5
70.56379	0.4
70.85418	0.6
73.74194	0.5
79.05489	1.8
81.07072	1.6
82.18077	0.4
89.98927	0.4
91.05487	2.0
93.07055	1.3
94.06558	0.5
95.08593	1.0
104.83916	0.4
105.07052	2.0
105.08259	0.4
107.08599	1.1
109.10191	0.8
115.18903	0.5
117.07030	0.5
119.08611	1.1
126.25827	0.4
129.06918	0.5
131.08636	0.9
133.10167	1.2
134.65500	0.6
135.11649	0.5
145.10146	0.9
147.11707	0.6
196.10115	0.6
197.10840	0.5
215.61111	0.4
219.17506	1.9
225.13959	0.6
239.11580	0.5
249.10350	0.8
275.20224	1.2
290.40848	0.5
298.13354	0.5
315.23270	0.7
333.45984	0.5
374.15594	0.7
375.15906	0.9
388.17001	1.1
389.17722	2.8
390.18515	1.4
391.19308	0.7
401.18002	1.0
402.18713	1.0
403.14816	0.8
403.19324	6.2
404.19974	1.9
405.20795	2.1
416.15860	1.1
416.20654	0.9
417.16132	3.8
417.21161	2.7
418.17554	1.5
418.22177	0.9
419.22479	6.5
420.23044	1.3
430.18082	1.6
431.18259	8.0
431.23666	0.5
432.19031	3.9
433.20084	2.9
444.19705	0.8
445.20148	5.4
446.21030	6.6
447.21777	9.5
447.27133	0.8
448.22421	1.1
458.21100	0.8
459.17767	1.7
459.22369	1.6
460.18869	0.7
461.20041	1.3
473.19250	0.9
474.20377	9.3
475.21207	11.7
476.21533	0.9
487.21317	2.5
488.22031	1.1
490.23987	0.9
491.20361	1.3
501.22525	1.4
503.24515	0.9
505.22516	1.1
519.24115	11.2
520.24292	1.5
547.23431	58.4
548.23621	4.4
561.24884	1.0
575.23096	0.7
579.26172	3.0
589.24506	1.3
607.25494	100.0
607.42773	2.7
608.25903	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	607.2552
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
59.97187	0.3
69.40361	1.5
83.36922	0.4
98.23448	0.6
141.91446	0.3
174.98602	0.3
182.44710	0.3
211.81863	0.4
235.12169	0.4
267.84100	0.4
310.13885	0.3
375.15964	0.7
387.16385	0.4
388.17130	1.2
389.17517	2.4
390.18509	1.4
391.19357	1.1
401.17780	0.6
402.18619	0.9
403.14932	0.6
403.19604	3.7
404.20013	1.8
405.20828	2.9
416.16220	1.0
417.16248	3.9
417.21219	2.0
418.17090	0.7
418.21631	1.4
419.17926	0.5
419.22443	5.2
420.23022	1.1
429.20966	0.4
430.18002	1.0
431.18384	7.7
432.19113	3.9
433.20163	3.9
434.20782	0.4
435.21695	0.3
444.19904	0.7
445.20120	4.7
446.20963	7.2
447.21646	6.6
447.27020	0.5
448.22687	0.9
459.16974	0.5
459.22079	1.3
460.22836	0.5
461.19379	1.9
463.25293	0.9
473.19196	0.7
474.20337	4.5
474.25687	0.4
475.20923	4.6
476.22009	0.4
477.22867	0.7
478.23331	0.6
479.24557	0.4
487.21530	1.7
488.21255	0.4
490.23822	0.6
491.19830	2.4
501.22760	0.9
505.22330	0.7
519.24060	15.6
520.24579	1.7
532.21490	0.3
547.14752	0.6
547.23358	12.8
548.24121	1.5
561.24634	0.4
579.26123	5.1
580.26532	0.7
607.25482	100.0
608.25812	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	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
72.11445	0.2
72.77039	0.2
99.98941	0.2
135.38231	0.3
198.12187	0.3
209.03264	0.3
209.10690	0.4
220.54898	0.3
223.12190	0.4
374.15234	0.6
375.16168	0.8
384.76541	0.3
387.16550	0.4
388.16867	0.9
389.17621	2.0
390.18472	0.9
391.19302	1.0
392.19339	0.5
401.17825	0.9
402.14331	0.5
402.18933	0.6
403.19437	4.2
404.20291	1.4
405.20923	2.4
406.21405	0.4
416.16229	1.0
417.16943	2.7
417.20929	2.7
418.17819	1.3
418.22018	0.9
419.22504	5.7
420.23087	1.4
430.17795	0.7
431.18369	7.0
432.18958	3.2
433.20108	3.7
434.20425	0.4
443.18759	0.5
444.19400	0.3
445.20105	5.0
446.21005	7.3
447.21704	7.2
448.22537	0.8
459.17761	0.9
459.22134	1.2
460.18396	0.7
461.19479	1.9
462.24417	0.6
463.25516	0.5
473.19275	0.8
473.24234	0.5
474.20364	4.0
475.21057	3.8
476.22116	0.4
477.23135	0.5
478.23624	1.0
487.21149	1.5
490.24417	0.5
491.19995	2.6
501.22800	1.1
503.23911	0.4
505.22406	1.2
506.23193	0.5
519.24017	15.4
520.24487	1.2
525.99951	0.3
529.22137	0.5
533.22205	0.4
547.23376	13.8
548.24097	1.5
561.24628	0.4
579.26013	5.8
580.26227	0.5
589.24084	0.4
607.25494	100.0
608.25885	8.2
608.33813	0.2
639.41010	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48995	0.9
52.24194	0.9
65.79845	0.8
81.07065	1.4
83.34921	1.0
127.58698	0.9
179.05743	1.1
271.04391	1.5
274.86743	1.0
359.22006	2.6
521.26953	5.7
545.26843	1.3
556.88104	1.4
563.28223	17.4
589.25983	3.2
607.27240	100.0
608.27515	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	607.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
63.88651	0.8
69.45431	4.2
69.45757	0.9
72.42059	1.0
74.27635	1.1
78.61448	1.0
81.07055	1.2
87.90519	0.9
116.58630	0.8
117.18417	0.9
119.08545	1.0
135.04381	1.0
163.03940	2.7
227.05299	2.1
228.40273	0.9
245.06325	2.2
271.04288	2.0
289.05289	13.6
325.12592	1.4
408.20572	1.1
410.13727	1.2
484.08679	1.0
521.27045	4.3
545.28027	1.5
563.28088	10.7
564.28491	1.2
589.26147	1.5
607.27338	100.0
608.27863	4.9
613.11621	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2911
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
51.10955	0.4
55.15709	0.4
69.87683	1.0
69.88074	0.8
75.07649	0.4
95.14587	0.4
111.71510	0.4
131.50777	0.5
183.09151	0.6
186.32133	0.4
207.09161	0.5
219.09175	0.6
237.13974	0.5
249.13972	0.5
286.13693	0.5
312.14917	0.6
314.16812	0.5
330.97028	0.5
387.16342	1.3
388.16891	1.9
389.17746	3.0
390.18829	0.7
401.17865	1.7
402.18271	3.4
403.19263	8.3
404.19821	3.3
405.20801	6.2
406.21167	0.7
415.14874	0.7
415.19586	1.6
416.20554	3.0
417.16934	2.2
417.21313	10.3
418.21698	7.1
419.22305	10.5
420.23026	0.9
421.23898	0.9
429.16696	0.9
429.21442	0.8
430.17804	2.6
430.22043	2.0
431.18085	21.1
432.18533	5.9
432.23886	1.6
433.24118	17.7
434.24826	2.6
443.18524	0.7
444.19504	2.2
445.19846	25.4
446.20755	14.3
447.21744	8.1
457.20377	1.1
458.21103	1.2
459.21503	11.0
460.22522	18.1
461.23331	15.9
462.20370	0.5
462.23874	0.4
472.22601	0.5
473.23724	6.2
474.24164	1.5
475.21069	0.6
476.21933	1.0
477.22928	1.4
487.25192	2.2
488.26184	0.7
489.23129	1.6
491.24286	1.8
492.25089	1.4
504.25531	0.5
505.21521	3.8
506.26846	0.7
509.77054	0.6
515.24445	0.7
519.24768	1.9
519.27228	2.1
532.24677	1.0
533.25507	0.8
547.27063	34.9
548.27350	3.4
575.26288	1.1
578.25220	0.8
579.29492	0.6
607.29132	100.0
608.29572	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	607.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48040	0.4
59.20213	0.4
63.75006	0.4
70.73487	0.5
76.04935	0.4
80.41064	0.4
84.35662	0.5
127.56169	0.5
137.01082	0.4
209.10796	0.4
378.39871	0.4
387.15961	1.0
388.16843	0.7
389.17557	1.7
390.18622	0.5
391.19009	0.5
401.18011	0.9
402.18616	1.9
403.19183	5.5
404.19849	1.5
405.20853	2.7
415.19653	0.8
416.20074	1.6
417.16867	1.3
417.21231	7.0
418.21655	4.4
419.22354	5.9
429.21442	0.8
430.17929	1.6
430.22375	0.9
431.18143	13.8
431.23663	0.8
432.18552	3.6
433.24026	13.9
434.24875	2.0
434.30438	0.4
443.18649	0.8
444.19110	1.2
445.19730	16.1
446.20728	6.3
447.21783	6.3
449.23541	0.5
455.28043	0.4
458.20578	1.0
459.21390	6.5
460.22504	15.7
461.23312	18.6
462.24283	0.4
473.23523	4.7
474.23822	1.8
474.29947	0.5
477.22720	1.1
487.25031	1.7
488.25626	1.1
489.22855	0.8
491.25085	0.6
492.25217	1.2
493.26111	0.5
505.21579	3.2
515.24432	0.7
519.27338	2.1
532.24780	1.0
547.27063	55.7
548.27368	3.4
575.26367	1.4
579.29694	1.3
599.00970	0.5
607.29138	100.0
608.29419	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	607.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44418	0.6
56.41194	0.5
61.38000	0.6
69.87634	0.8
69.87965	1.4
79.32420	0.6
88.56161	0.5
107.69966	0.5
109.52646	0.6
134.91556	0.5
164.17577	0.6
387.16489	0.8
389.17737	1.9
402.18567	0.9
403.19226	4.0
404.19962	1.5
405.20694	2.9
415.19427	0.8
416.20151	1.4
417.21451	4.4
418.21677	2.6
419.22580	4.3
430.22345	0.8
431.18262	9.0
432.19092	1.5
432.23990	0.8
433.19492	0.7
433.24182	9.1
434.24747	0.9
442.50726	0.6
445.19745	11.4
446.20847	5.6
447.21707	6.7
459.21518	5.2
460.22647	11.2
460.79095	0.6
461.23373	9.6
473.23871	3.4
474.24283	1.2
477.22998	0.7
487.25211	1.3
491.24380	1.3
492.25229	0.8
505.22000	3.4
519.23523	1.1
519.28375	0.5
532.25220	0.9
547.27100	28.4
548.27612	2.2
607.29163	100.0
608.29456	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	607.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84731	1.1
69.24335	7.0
70.30465	1.0
79.05508	2.0
81.07075	2.8
89.27388	1.0
93.07065	1.9
95.04979	1.7
95.08619	2.2
105.07074	1.4
109.10183	2.8
121.10170	1.6
127.47246	1.1
150.86476	1.4
154.68712	1.1
278.66675	1.6
507.35089	1.5
537.57355	1.3
563.31848	4.9
607.30933	100.0
608.31219	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	608.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	3.8
55.05514	13.0
57.03428	4.3
57.07069	4.8
67.05508	13.7
69.03429	10.2
69.07072	43.5
71.05006	5.2
73.02910	3.4
79.05492	9.9
81.03420	8.1
81.07055	48.1
83.08625	16.2
85.02886	20.0
85.06573	3.5
87.00824	9.5
91.05484	10.9
93.07050	72.6
93.07612	6.2
93.73434	2.8
95.04977	33.2
95.08601	41.1
96.66293	2.9
97.02895	5.1
97.06506	7.4
97.08714	3.2
97.10197	4.1
98.97586	7.5
105.01871	6.6
105.07024	11.0
107.08598	23.7
109.02868	4.4
109.10168	27.3
111.08086	10.9
111.11716	4.5
114.10636	3.2
114.41470	2.7
119.07819	3.0
119.08619	10.2
121.10139	21.8
123.08038	3.9
123.11720	20.2
125.09601	2.9
127.03949	7.3
133.10127	6.2
135.11739	14.0
137.13257	9.6
145.10132	4.8
147.11707	12.7
149.13277	13.7
159.02882	3.9
159.11690	10.7
161.13364	4.5
163.14786	3.4
167.14339	9.4
175.14890	2.9
177.16440	3.8
185.15390	8.8
187.59010	3.4
188.70502	3.1
271.24210	3.3
289.25201	29.1
295.26355	31.4
302.26001	4.1
307.26306	100.0
308.26724	4.7
325.27368	17.0
343.28400	6.6
345.71472	3.3
439.70828	3.3
608.28198	13.5
631.16577	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	608.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	5.3
57.03437	1.2
57.07078	17.5
59.05007	1.7
62.06098	0.8
63.59490	0.3
65.03947	0.9
67.05506	47.5
68.05860	0.5
69.07070	4.5
69.42935	1.3
71.04994	1.6
71.08635	12.9
79.05501	1.3
81.07059	12.0
83.08625	7.3
85.06541	1.0
85.10182	6.9
87.04427	0.5
91.05481	2.9
93.07045	1.8
95.04989	0.4
95.08607	11.7
97.10169	2.4
98.23410	0.8
98.98481	0.6
99.11751	0.6
105.07059	0.5
107.08611	1.1
109.10160	40.6
110.10495	0.5
111.08084	1.3
113.09685	0.3
119.08587	2.2
123.11742	2.0
124.01626	0.6
137.09630	1.2
137.13307	0.5
155.01089	1.0
155.10649	2.0
173.11729	6.3
180.13817	4.3
198.14886	5.1
210.97714	0.3
229.14381	2.6
239.23766	1.6
278.11572	1.1
282.27930	1.8
296.12531	0.5
313.27377	2.9
334.14090	1.0
352.15192	2.6
393.23459	0.5
467.37329	100.0
468.37616	5.4
590.38159	7.0
591.38702	0.7
608.40894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1815
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
55.01827	0.9
57.03371	6.1
60.17313	0.7
65.14947	0.7
69.03371	0.7
69.17382	1.3
69.17789	2.8
71.01290	0.8
71.04922	32.3
71.05345	2.3
73.02867	1.1
81.03355	0.9
83.04915	1.5
85.02905	37.5
85.03390	1.7
109.02783	0.8
109.04520	0.6
129.05482	7.0
141.01727	1.0
147.06541	0.9
149.05899	2.1
151.03909	3.9
165.01819	7.8
167.03340	1.6
175.03862	0.9
183.02798	1.6
189.01860	0.9
195.02809	1.0
202.05649	0.7
220.61850	0.8
227.71631	0.7
243.02872	1.7
262.65787	0.7
270.05209	1.1
271.06088	1.8
282.05225	4.1
286.04648	1.0
291.67584	0.8
294.34335	0.7
296.06717	6.3
297.07593	4.1
298.04718	14.5
299.05447	1.3
300.06326	6.1
301.07086	6.5
308.06943	0.7
309.07297	1.2
310.04730	5.0
310.08365	2.5
311.05835	1.3
311.08981	4.8
312.06281	1.7
313.07050	93.1
314.07642	8.4
316.77902	0.8
320.06677	1.2
324.06317	11.8
325.06964	6.5
325.10590	1.5
327.08542	2.3
328.05743	19.3
329.06183	1.5
335.09229	1.7
336.06274	1.2
337.07001	2.0
338.07825	7.9
339.05029	1.6
339.08643	18.2
341.06601	1.1
343.08133	100.0
344.08395	3.9
348.06226	2.1
351.08606	1.9
352.05923	1.6
353.06155	1.7
353.10172	16.9
355.07568	0.9
363.08731	3.3
364.05829	2.0
366.07111	1.5
367.08130	48.7
368.08395	1.7
376.05954	2.0
379.08115	15.6
381.09659	3.9
391.08084	9.2
394.07086	2.0
397.09177	32.4
398.09521	1.1
409.09198	19.6
410.09399	1.1
427.10245	25.4
428.10751	1.1
445.11298	61.4
446.11710	3.0
463.12357	77.0
464.12912	3.7
557.57147	0.8
609.18170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
56.72614	0.8
57.47040	0.7
69.14836	5.2
82.86246	0.7
86.19800	0.8
96.37473	0.7
98.22672	1.3
112.49860	0.8
238.14622	0.9
376.17084	1.8
377.17828	2.3
378.18948	1.3
389.18256	1.6
390.18524	1.7
391.19388	2.1
392.19885	2.5
393.20926	0.9
401.17734	2.4
403.19308	0.9
404.20203	2.1
405.20874	7.0
406.21667	4.4
407.22223	4.7
414.18341	1.4
415.19373	4.2
417.20886	1.1
419.22818	1.6
420.23163	1.6
421.24048	5.2
422.24362	1.1
427.19492	1.3
428.20093	1.9
429.20941	4.6
430.21686	1.6
431.18240	1.3
432.19150	2.0
433.20230	2.8
442.21826	1.1
443.22928	1.2
444.23212	2.9
445.20355	2.1
446.21228	1.2
447.18054	2.4
449.23602	1.5
457.24411	4.0
458.25662	1.0
459.21848	2.3
460.23190	1.6
461.19293	8.7
462.20016	3.8
463.21396	2.3
472.23038	1.7
473.19647	1.7
474.20230	1.3
475.21072	10.9
476.21704	8.3
477.22601	8.3
478.23495	1.8
479.24402	1.5
485.23526	13.8
486.19943	3.5
487.25241	1.1
488.21552	1.6
489.22891	7.3
493.22223	0.9
494.27173	1.2
497.23383	1.2
499.21426	4.4
500.21991	2.1
502.23911	0.9
503.24509	8.0
504.24692	2.4
513.22876	2.2
515.24341	12.1
517.22559	1.6
518.22021	1.1
521.26495	3.8
522.26251	1.2
531.23920	19.8
532.24255	1.2
535.23383	1.2
549.24860	2.2
550.25775	6.8
559.23248	8.4
577.24432	1.9
591.26025	30.3
592.26495	2.0
609.27057	100.0
610.27435	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	609.271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.2
60.65055	0.2
67.05500	0.8
77.71183	0.2
81.07063	0.6
91.05476	0.3
93.07066	0.4
95.08598	0.5
105.07059	0.3
105.18277	0.2
109.10175	0.5
119.08589	0.3
155.41240	0.2
199.14937	0.2
209.10826	0.3
210.11481	0.2
211.12341	0.5
212.13058	0.2
221.10612	0.2
222.11607	0.2
223.12305	0.5
224.13210	0.3
225.13968	0.3
236.13206	0.3
237.13928	0.5
238.14536	0.2
239.15424	0.5
249.13731	0.3
251.15282	0.3
302.16495	0.3
328.14197	0.2
371.13794	0.2
374.15921	0.3
375.16745	0.4
376.17456	0.5
377.17538	1.2
379.19443	0.2
388.18036	0.4
389.18369	0.8
390.18744	1.0
391.19217	2.6
392.20053	1.5
393.21002	0.5
400.16986	0.7
401.17911	0.6
402.19305	0.4
403.19754	0.8
404.20697	1.2
405.20935	3.7
406.21509	2.4
407.22321	3.4
413.17627	0.4
414.18677	0.5
415.19290	2.1
416.19775	0.7
417.20828	0.8
418.22159	0.4
419.18204	0.8
419.22446	1.2
420.23672	1.0
421.18823	0.3
421.23993	3.6
422.24603	0.6
423.21872	0.2
427.19232	0.6
428.20087	0.5
429.20865	2.3
430.22360	1.2
431.18771	1.1
432.19196	1.0
433.16165	0.9
433.20313	1.5
433.24463	0.9
435.21863	0.5
442.21677	0.5
443.22473	0.9
444.22964	0.7
445.20410	1.5
446.20764	0.8
447.18201	2.2
448.19128	0.9
449.23456	0.9
451.20874	0.3
452.22308	0.3
456.19678	0.4
457.24301	1.9
458.20953	0.7
459.22452	1.8
460.18271	0.7
460.22836	1.0
461.19220	5.8
462.20328	2.5
463.20938	1.5
465.22626	0.4
467.37061	0.3
468.37393	0.4
471.18198	0.7
472.22513	0.7
473.19064	1.0
474.19745	1.4
475.21152	8.4
476.21899	6.0
477.22400	4.0
478.23611	0.9
479.24301	0.6
484.18796	0.4
485.23752	5.5
486.20102	2.6
487.21439	1.1
487.26089	0.3
488.22098	1.2
489.22989	4.7
490.23276	0.5
493.22598	0.9
494.26733	0.7
497.23495	0.5
499.21359	3.5
500.21829	1.3
501.22858	0.3
502.23828	0.4
503.24594	6.8
504.24631	1.1
505.22531	0.8
507.23953	0.9
513.22852	0.8
515.24524	5.2
515.31012	0.2
517.22394	1.5
518.23230	0.5
521.26227	2.4
531.23981	7.8
532.24274	0.6
533.25439	0.7
535.23499	0.9
541.22467	0.6
549.24994	1.7
550.25653	4.4
559.23364	4.9
560.23633	0.3
563.26654	1.2
577.24689	1.7
591.25970	10.5
592.26465	0.8
609.27032	100.0
610.17706	0.5
610.27356	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	609.2711
Annotation	Trigonosin C
Peak:m/z	Relative Intensity
55.05510	2.1
57.03452	0.6
57.07080	0.7
67.05506	4.3
69.07075	2.4
69.59742	1.4
69.60141	1.0
79.05509	3.6
81.07050	3.7
83.08632	1.0
91.05431	3.0
93.07050	3.8
95.08615	4.1
97.06551	0.7
105.07037	2.8
107.08617	2.4
109.10195	2.0
117.07028	1.3
119.08600	3.4
119.10020	0.6
121.10166	1.5
129.07019	2.2
131.08595	2.6
133.10162	1.9
135.11684	1.0
141.07039	1.1
143.08582	2.9
145.10167	2.0
147.11702	0.8
149.13219	0.8
155.08556	1.6
157.10165	2.3
159.11729	1.1
163.49655	0.6
167.08601	1.2
169.10176	1.6
171.11745	1.5
173.13403	0.7
181.10175	1.5
183.11749	2.0
184.07407	0.9
185.13322	0.8
187.14830	0.9
195.11707	1.1
197.13300	1.8
207.11679	0.6
211.14986	1.4
215.06569	0.6
223.14748	0.7
225.16499	0.9
236.62566	0.6
237.16432	0.7
275.20071	0.7
389.17682	0.9
391.19025	0.9
403.19440	1.7
404.20081	0.8
405.20700	1.7
406.21555	0.9
407.22272	1.7
415.19260	0.7
417.16492	1.2
417.21280	1.2
419.22647	3.1
420.23251	0.9
421.23373	1.0
430.17639	1.4
431.18573	2.9
432.19107	1.2
433.20279	6.9
435.21317	0.9
444.19565	2.8
445.20282	2.6
446.21115	2.3
447.21851	4.6
448.22751	1.8
449.23312	0.9
458.20856	4.6
459.21701	3.5
460.23151	3.1
461.19434	0.8
463.20959	3.2
473.23569	0.8
475.21411	0.8
476.22107	1.2
477.22379	1.4
517.40338	2.2
518.22925	2.6
519.23969	8.5
520.24762	0.9
521.25122	2.1
531.23901	1.4
532.24530	1.4
549.24908	3.4
591.26031	10.8
591.44177	2.4
592.26581	0.9
609.27063	100.0
609.44611	20.6
610.27533	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	609.271
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
55.05508	2.6
57.07068	4.6
67.05508	13.1
69.07058	1.5
71.08630	2.9
79.05495	3.1
81.07064	7.2
83.08627	1.8
91.05443	2.1
93.07049	3.6
95.08604	4.9
97.10207	1.0
105.07015	2.2
107.08608	2.4
109.10159	9.1
110.10491	1.4
119.08563	1.3
121.10178	1.6
131.08551	1.7
133.10112	2.0
135.11699	1.7
145.10147	2.5
157.06441	1.2
159.11708	1.5
180.13910	1.1
222.13638	1.2
231.75499	1.1
257.19061	1.1
405.20563	1.2
429.20908	3.1
431.18442	1.7
433.24323	1.2
436.18842	1.1
444.23105	1.4
449.23557	1.3
459.21906	3.5
460.22726	2.5
461.23694	3.5
462.20496	2.2
467.37399	10.4
468.37817	13.5
472.22549	2.5
473.23795	1.7
475.20963	1.4
476.22281	3.5
477.23068	2.9
487.25058	3.0
503.24405	1.8
511.33911	1.6
519.23865	2.1
521.21771	3.1
531.24036	20.4
532.24603	3.2
545.39807	1.5
549.24890	13.9
550.25934	1.6
591.26080	2.8
591.39825	2.9
609.27051	100.0
609.44830	6.2
610.27380	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	609.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
64.56580	1.3
64.78294	1.4
69.60178	5.6
73.04756	3.0
91.05796	4.0
95.43557	1.5
147.04451	2.1
150.10498	1.7
249.15771	12.2
253.88234	1.3
355.07019	3.8
383.13116	100.0
384.13348	5.3
496.62628	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03945	1.3
55.01876	1.4
55.05512	12.1
57.03437	3.6
57.07060	1.9
65.03937	1.6
67.05502	21.6
69.07066	10.2
70.64276	0.9
71.05000	1.2
73.04784	0.8
76.46069	0.5
77.03955	0.9
78.61349	0.4
79.05492	14.3
81.07055	22.9
83.04982	1.0
83.08636	6.1
85.06553	0.6
91.05469	13.7
93.06445	0.9
93.07043	17.5
95.04969	2.4
95.08608	20.1
97.06528	1.6
97.10174	3.6
99.08108	0.9
100.60651	0.5
103.05454	0.5
105.04532	1.2
105.07032	15.2
107.08593	11.9
109.06548	1.1
109.10163	7.7
111.08086	1.5
112.80246	0.4
115.05488	1.0
116.06263	0.9
117.07023	9.3
117.29456	0.5
119.08578	14.0
119.09422	0.9
121.10130	7.3
123.08123	0.9
123.11731	2.1
125.09637	1.5
128.06218	3.2
129.07002	9.9
130.07800	0.6
131.08562	12.4
133.10124	9.8
135.08038	0.5
135.11674	3.4
137.13254	0.5
141.06984	5.6
142.07787	2.8
142.08725	0.5
143.08559	13.9
144.09373	0.7
145.10124	13.1
147.11684	5.6
149.13229	2.7
153.07034	1.4
154.07790	1.2
155.08553	9.8
156.09306	1.5
157.10123	13.2
158.10876	0.6
159.11700	8.5
161.13184	2.4
163.14812	0.8
165.07071	0.9
166.07724	0.7
167.08551	5.4
168.09354	1.7
169.10123	13.6
170.10712	0.6
171.11688	10.9
173.13283	5.5
175.14827	2.2
179.08644	2.0
180.09340	0.9
181.10110	7.1
181.11525	0.8
182.10973	1.5
183.11690	12.7
184.12384	0.6
185.13261	7.8
187.14842	3.3
189.16408	1.1
193.09996	2.6
194.10945	0.7
195.11682	8.9
196.12425	1.4
197.13255	10.4
198.14044	0.7
199.14799	5.3
201.16415	2.3
203.18060	1.0
207.11742	3.3
209.13248	7.7
211.14804	5.6
213.16455	3.7
219.11682	0.8
219.74440	0.5
221.13309	2.6
223.14778	4.6
225.16386	4.4
227.18066	2.1
229.19579	0.9
233.13330	1.2
235.14885	1.8
237.16351	3.1
239.18042	2.8
241.19713	1.0
247.14954	1.1
249.16428	1.4
251.18005	1.9
253.19690	2.4
255.17404	0.7
257.18930	1.1
259.20413	0.5
261.16467	0.6
263.18045	1.1
265.19580	1.3
267.21005	0.9
275.20203	1.1
277.19559	1.0
279.21188	0.5
281.22668	0.6
283.20456	0.7
285.21771	0.5
291.20959	0.6
293.22684	0.6
295.20724	1.1
297.21814	0.6
299.06274	0.6
311.20065	0.8
311.23819	0.7
313.21744	0.7
321.22287	1.2
323.23672	1.0
325.21820	0.8
327.23190	0.8
331.22833	0.7
335.26544	0.7
337.25339	1.4
339.23236	0.6
349.25232	1.1
351.23120	0.7
351.26889	1.3
353.25012	0.6
355.06952	1.1
355.26541	0.7
363.26868	1.0
365.24564	0.7
365.28485	1.4
370.46307	0.5
375.26639	0.7
377.28409	1.1
379.30200	0.9
381.28104	0.8
391.30060	0.6
417.31693	0.7
421.30814	0.6
429.31604	0.6
435.32721	0.8
447.32361	1.4
461.34125	0.7
465.33688	0.6
499.39621	1.7
517.40424	10.3
521.25043	0.7
521.36353	0.7
535.41309	4.6
539.37396	0.9
540.38403	0.7
541.11346	0.6
553.39178	0.7
555.41998	1.0
573.43024	1.5
591.44043	12.3
592.44714	0.6
609.26471	5.0
609.45123	100.0
610.27826	0.5
610.45435	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	611.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
61.02928	0.9
66.36642	0.7
69.03423	2.6
73.02913	3.2
73.04752	1.1
81.03389	1.1
85.02909	3.9
87.26724	0.8
91.05811	1.5
96.95784	0.7
97.02882	3.6
103.03983	0.9
107.04961	4.3
107.80739	0.8
109.02934	1.5
121.02845	1.1
127.03905	1.0
135.04393	3.9
137.02293	4.0
145.02843	1.6
147.04424	1.2
149.02377	1.4
153.01910	0.8
158.23276	0.8
161.02379	1.3
163.03912	4.9
165.01796	8.6
167.03394	1.7
167.06995	1.0
177.05463	2.5
183.02881	3.4
191.03337	1.1
195.02902	2.1
209.05626	3.0
215.03358	0.8
237.00800	1.6
245.04472	0.9
255.06386	1.1
270.07648	0.9
271.05975	1.3
283.05997	7.9
286.04761	3.2
287.05472	6.7
295.05914	1.0
297.07571	8.1
299.05493	100.0
300.06085	11.2
301.06912	1.1
311.05505	10.4
311.09097	2.9
313.07092	2.8
317.11304	8.0
320.35800	0.9
321.07690	3.8
323.05588	2.2
325.03586	1.8
325.07047	22.9
329.06546	73.9
330.06848	2.1
337.07019	1.8
339.04947	1.0
339.08591	16.1
349.07031	2.7
353.06555	32.5
353.10919	1.9
354.06985	0.9
356.07028	1.8
365.06506	10.4
367.08090	2.9
377.06549	10.9
383.07635	12.5
394.15018	0.8
395.07599	15.9
413.08655	17.5
431.09735	18.7
449.10901	3.1
461.10907	5.4
479.16403	5.0
491.11844	16.6
515.11841	7.9
545.12891	11.1
557.12646	2.4
575.13953	7.5
593.14984	11.6
594.16089	1.0
611.20233	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	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03939	0.3
55.01873	0.3
57.03433	1.6
61.02921	0.4
68.99779	0.5
69.03415	1.2
69.36847	0.5
69.37235	0.4
70.06560	0.5
71.04990	9.6
73.02908	0.3
73.04753	0.3
75.04463	0.7
81.03413	0.7
83.04967	0.6
85.02899	13.2
86.01985	0.2
87.04451	0.5
95.04941	0.3
97.02888	1.2
99.04459	0.3
103.69532	0.2
107.33365	0.2
109.02864	0.4
111.00825	0.8
111.04401	0.2
120.08137	0.3
121.02861	0.8
123.04377	0.3
127.03905	0.9
129.05470	2.5
137.02330	2.3
137.03267	0.4
145.04942	1.2
147.06494	0.9
149.02357	0.3
153.01807	2.3
163.03918	0.7
165.01796	1.8
170.39256	0.2
173.06021	0.3
177.05492	0.2
180.95544	0.2
183.02876	0.6
183.04378	0.2
187.03827	0.2
195.02888	0.5
201.05481	1.1
205.05017	0.3
215.03281	0.3
219.02884	0.2
229.04951	3.2
247.06024	0.6
257.04407	2.3
274.04666	0.8
285.03827	1.3
303.04962	100.0
304.05252	3.1
349.17230	0.3
355.07242	0.3
356.07083	0.4
386.18646	0.2
395.52039	0.2
452.21939	0.2
465.10294	0.5
611.31146	0.3
614.94745	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	0.1
52.83493	0.1
58.02959	0.1
62.34651	0.1
65.03938	0.2
66.04715	0.2
67.05507	0.4
69.07074	0.8
69.96967	0.1
69.97299	0.1
71.08642	0.1
77.03947	0.1
79.05498	0.5
81.07062	0.7
83.08591	0.2
84.08142	0.1
86.06046	0.1
91.05450	0.5
93.07041	0.4
94.04184	1.6
95.08615	0.2
97.06523	0.2
98.09797	0.1
98.22667	0.1
100.07645	0.1
105.07019	0.2
107.04934	0.2
107.08607	0.6
109.06528	0.1
109.10169	0.7
114.09174	0.5
122.03650	4.6
123.03999	0.1
123.11711	0.1
126.09157	0.3
133.10115	0.8
135.04437	0.1
135.11719	0.8
137.05978	100.0
138.06310	1.9
151.11208	0.3
153.12743	0.8
170.15401	1.8
182.15407	4.7
183.15746	0.1
276.55933	0.1
306.20636	7.6
307.20959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07084	0.3
58.30582	0.3
69.27554	1.2
69.59388	0.3
73.04725	0.3
91.05817	0.5
93.07005	0.2
104.10781	0.2
115.10377	0.3
128.68553	0.2
132.19446	0.3
159.37946	0.2
189.37320	0.2
275.38254	0.3
285.00806	0.3
286.00940	0.4
317.29059	0.3
356.07159	0.5
434.93839	0.2
537.37903	1.1
551.26605	0.4
611.41266	100.0
612.27069	0.3
612.30859	0.4
612.41571	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.05513	13.2
57.03437	4.3
57.07077	2.1
65.03933	1.5
67.05505	34.6
69.03431	0.8
69.07066	13.3
71.05006	1.4
76.58858	0.7
79.05492	24.8
81.07055	36.2
83.05006	0.9
83.08627	7.0
85.06541	1.2
91.05473	20.7
93.07041	29.1
94.15573	0.7
95.04970	4.0
95.08606	30.7
97.06546	1.8
97.10178	3.1
99.08116	1.4
105.04530	1.1
105.07028	25.2
106.07446	0.7
107.08592	18.8
109.06550	1.7
109.10159	14.5
111.08057	1.9
115.05473	0.9
117.07018	9.1
119.08589	20.5
121.10147	15.7
123.08096	1.7
123.11722	5.2
125.09666	1.1
125.88362	0.8
128.06277	1.3
129.07008	6.8
131.08565	16.9
133.10127	19.1
135.02367	0.7
135.11688	10.1
135.33426	0.8
137.09698	1.1
137.13258	1.7
141.07034	2.5
141.22758	0.7
142.07817	1.1
143.08566	7.3
145.10118	18.5
147.11679	14.7
149.13260	6.2
153.62518	0.7
155.08620	2.5
157.10136	9.0
159.11681	17.5
159.12930	1.0
161.13264	10.7
163.14850	2.5
167.08514	0.8
169.10152	5.3
171.11678	10.9
173.13252	12.2
175.11276	0.9
175.14809	5.1
177.16408	1.4
181.10156	2.3
183.11713	5.8
185.13243	8.2
187.14792	5.1
189.16386	1.7
193.10164	1.0
195.11705	2.3
197.13239	4.6
199.14854	5.4
201.16479	3.0
203.17906	0.9
207.11743	0.8
209.13287	1.8
211.14697	3.3
213.16411	4.3
215.18027	2.6
217.19600	0.9
219.17430	0.8
223.14920	0.8
225.16426	2.6
227.18008	2.4
229.19595	1.7
231.21153	1.7
233.19147	0.8
235.14815	0.7
239.18074	2.2
241.19646	6.1
243.21178	1.6
257.19009	3.3
259.20563	18.8
260.20816	0.8
261.22073	4.3
267.21555	0.8
275.20239	1.0
277.21613	0.9
285.22171	1.7
287.20023	0.9
297.22217	1.2
299.23709	0.9
311.23557	1.1
313.25482	1.0
315.23251	2.5
327.26834	0.8
331.22565	1.0
333.24246	11.6
335.25812	18.7
336.26266	1.1
337.27444	2.0
339.27145	0.8
353.28525	1.4
356.07031	0.9
367.30164	1.0
397.31094	0.7
415.32080	0.9
423.32486	0.8
427.32016	0.8
475.34125	1.4
501.35077	0.8
519.42041	5.9
523.39490	0.9
537.43073	3.9
541.38910	1.7
593.45789	7.8
594.45898	1.5
611.46686	100.0
612.47015	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	612.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01106	0.3
57.03439	2.6
60.04514	0.5
61.02923	0.8
69.03422	1.1
71.01366	0.3
73.02918	4.6
73.54870	0.2
85.02905	2.0
91.05478	1.1
93.07024	1.6
95.04948	0.4
97.02911	1.2
103.05479	0.7
107.04977	1.2
115.03919	1.0
121.02854	0.4
121.06508	21.6
122.06003	0.3
122.06804	0.3
123.04408	0.4
128.04918	0.3
131.04947	0.4
135.04407	0.3
137.05978	6.3
138.09146	6.0
146.06020	2.9
147.04396	0.5
152.07095	0.4
156.04457	0.4
162.60593	0.2
163.03893	1.4
164.07062	14.0
174.05516	1.7
175.03815	0.3
175.06235	0.3
181.06509	0.2
192.06508	1.6
194.09662	1.2
195.08070	0.5
204.07996	0.3
207.06680	0.4
212.10670	0.4
220.07501	0.2
221.08269	0.4
222.09145	8.6
223.07506	0.9
223.09547	0.4
236.07082	0.7
240.10199	4.2
241.08591	1.3
243.60251	0.2
249.07918	0.4
250.06042	0.3
250.08630	6.2
251.07108	0.5
251.09398	7.1
252.06557	0.6
252.09702	0.3
253.07358	1.0
254.08202	0.5
266.08102	0.8
267.08862	3.4
268.09677	100.0
269.10156	3.8
286.10721	6.1
300.12296	19.9
301.12469	0.9
310.10504	1.2
318.29633	0.3
318.99695	0.3
400.13922	1.1
430.15015	2.2
448.16043	5.8
462.17477	1.2
562.19000	2.2
580.20221	13.5
581.20300	0.8
594.21826	24.7
595.22003	1.6
612.22675	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	612.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79997	0.3
53.99903	0.3
57.03432	2.2
60.04528	0.6
60.11829	0.3
61.02911	0.9
65.09615	0.3
66.21891	0.4
69.03420	1.2
70.11570	0.3
70.11884	0.6
71.74065	0.3
73.02917	4.9
84.91381	0.3
85.02916	2.0
91.05470	0.4
94.92999	0.7
97.02888	1.0
98.22697	0.6
107.04929	1.4
112.89612	0.7
115.03948	0.5
118.06516	0.4
121.02824	0.5
123.08758	0.4
124.37768	0.3
128.05005	0.4
131.04948	0.4
135.04381	0.5
137.05972	6.3
146.05998	3.5
147.04431	0.4
156.04385	0.6
163.03891	0.6
164.07053	15.4
165.05400	0.3
165.07436	0.3
174.05447	1.9
175.06181	0.6
192.06543	1.8
194.09615	1.0
195.08020	0.7
198.09059	0.4
204.08110	0.5
205.06606	0.4
207.06702	0.5
212.85046	0.5
221.08421	0.4
222.09125	10.6
223.07584	1.1
225.07887	0.4
236.07065	0.8
240.10149	4.4
241.08511	1.3
250.08672	7.8
251.06895	0.7
251.09380	6.5
252.06523	0.9
253.07300	1.7
254.08110	0.6
258.11172	0.4
266.08109	0.8
267.08807	2.9
268.09668	100.0
269.10199	3.6
286.10739	5.5
288.99310	0.3
292.09781	0.6
300.12286	20.5
300.86703	1.2
301.12790	0.7
310.10828	1.7
364.11774	0.5
382.12955	0.4
400.13846	1.1
401.14560	0.3
430.14960	3.7
448.15997	6.7
462.17712	1.4
562.19135	2.3
580.20239	14.1
581.20233	0.7
594.21796	27.5
595.22162	1.6
612.22900	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	612.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02910	0.9
53.03950	1.9
55.01874	1.6
57.03432	1.0
61.02916	1.3
66.79935	0.8
68.99770	1.0
69.03431	10.0
69.48416	2.2
69.48807	1.6
73.02927	1.4
73.04756	1.0
75.35798	0.8
79.05490	2.9
81.03418	6.2
81.07052	2.0
85.02906	20.0
87.00827	10.7
91.05835	1.7
93.07055	9.5
95.04991	0.8
95.08581	1.2
96.95443	0.7
97.02896	9.2
99.04441	2.2
105.01868	11.3
105.07050	3.1
107.08585	2.3
109.02875	8.2
119.04955	1.0
119.08591	5.9
121.10155	2.0
123.04414	3.1
125.06031	0.8
126.04388	1.0
127.03914	15.2
129.01816	1.0
131.08508	1.4
135.97980	0.8
137.05969	3.3
137.09593	1.1
143.08537	1.7
144.34312	0.8
145.04939	4.2
145.10115	2.7
147.02808	0.9
147.08061	2.7
147.11661	1.4
149.05945	5.0
157.10095	2.3
159.02902	2.8
159.11662	2.0
163.07574	5.1
164.08333	15.7
165.09143	5.5
167.05597	1.3
168.19482	0.8
169.10115	1.3
171.11714	1.0
173.09636	1.3
175.07515	1.5
181.10088	0.9
183.11671	1.7
185.13205	1.0
189.09109	1.2
195.11597	2.3
197.13181	1.9
199.11105	1.0
209.13242	2.8
213.03876	2.0
222.14223	0.8
227.14322	2.0
227.17873	3.8
231.05045	5.2
237.12822	1.2
237.16432	2.7
239.17949	1.6
241.12440	1.0
255.13811	5.1
255.17488	5.9
265.15814	2.0
283.16907	15.4
283.19934	1.2
301.05899	0.9
301.17929	1.7
311.16516	2.7
329.17465	100.0
330.17838	3.5
347.18527	10.7
357.06757	0.9
360.70169	0.9
443.94843	1.0
457.57343	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	4.7
55.05516	10.0
57.07064	4.7
67.05499	24.9
69.07066	32.1
70.70914	6.0
73.04740	4.8
79.05493	17.9
81.07063	44.3
83.08614	13.3
85.02914	6.4
86.95135	4.2
88.04001	11.4
91.05445	8.0
93.07055	20.8
95.04956	19.9
95.08605	51.0
97.06516	6.2
97.10168	5.0
99.08091	3.7
101.69188	4.4
105.07029	84.2
107.08573	26.9
109.10146	38.9
117.07002	5.5
119.08591	44.9
121.10148	21.4
123.11715	12.5
125.06014	10.5
125.09637	7.0
125.13253	10.2
127.03946	4.7
131.08586	49.3
133.10149	24.9
134.04488	19.5
135.11699	11.5
137.13277	7.3
142.07726	5.0
143.08543	9.2
145.10121	100.0
147.08058	9.9
147.11650	23.9
149.05980	5.0
149.13293	14.1
155.08560	13.2
156.09290	6.2
157.10155	22.6
159.08052	5.1
159.11703	29.6
161.09639	5.9
161.13254	13.6
163.14832	5.7
163.28310	3.9
169.10120	11.4
171.11711	24.6
173.13251	42.6
175.11220	8.7
175.14847	7.7
183.11711	10.9
185.13251	7.6
187.14845	15.9
189.16399	9.4
197.13242	12.2
201.12837	5.7
203.14279	5.6
211.14870	7.3
215.14444	4.4
227.18027	11.6
229.19498	11.1
236.16656	3.8
243.21112	57.5
253.19473	24.4
271.20547	75.1
272.20798	4.4
272.83710	4.5
296.54733	4.8
299.20081	9.4
317.20911	5.2
354.56952	4.6
357.06927	9.7
386.23242	61.7
404.24274	88.1
414.22717	26.7
432.23840	82.5
450.24661	13.3
533.79834	4.7
612.30920	7.9
612.37109	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	612.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01873	5.1
55.05508	4.1
57.03440	4.0
59.05035	1.2
61.02923	4.5
61.93690	1.2
67.05505	10.0
68.99796	2.2
69.03429	22.7
69.07062	4.1
71.04996	4.0
73.02914	4.3
73.04763	3.4
79.05493	10.0
81.03414	15.2
81.07057	16.7
81.07494	1.4
83.08624	1.7
85.02904	68.2
85.06540	3.0
87.00830	25.8
91.05440	14.1
93.07045	18.9
95.08601	16.3
97.02893	19.0
97.06552	2.1
99.04453	11.6
99.08108	8.7
105.01868	39.3
105.04585	1.3
105.07037	18.0
107.04985	1.5
107.08595	20.8
108.04492	2.7
109.02880	26.2
109.06551	2.1
109.10150	17.2
117.06994	10.8
119.08581	18.7
121.10149	15.2
123.08052	3.5
123.11733	4.2
125.09641	7.3
127.03912	51.1
127.07568	2.3
129.01845	2.2
129.07028	4.2
131.08577	15.9
133.10132	16.1
135.08061	11.9
135.11697	14.5
137.09612	3.7
141.06958	1.9
143.08530	8.6
145.04961	25.6
145.10123	14.7
147.02950	1.9
147.11685	14.8
149.09605	7.2
149.13254	7.5
151.11186	8.8
155.08578	4.4
157.10097	10.8
159.02861	11.5
159.11694	23.9
161.09654	2.4
161.13254	13.9
163.11192	7.0
163.14824	1.8
165.12759	2.7
169.10121	5.2
171.11665	7.2
173.13246	18.6
175.11201	1.4
175.14835	10.9
177.12791	5.7
177.16341	1.6
181.10112	1.6
183.11670	7.4
185.13257	12.1
187.14821	7.9
189.03949	1.6
189.12819	2.3
195.11610	2.6
197.13318	5.7
198.13962	2.0
198.91034	1.4
199.14813	8.3
201.12819	3.1
201.16362	2.1
209.13293	3.1
211.14880	4.6
213.03911	1.7
213.16403	4.7
215.14291	2.2
215.18027	3.8
221.08331	1.6
223.14844	5.4
225.16399	2.9
227.17953	5.5
229.15883	4.1
231.05014	19.8
237.16354	4.7
239.18015	4.0
241.19426	2.8
242.25641	1.3
245.19032	1.3
248.07661	1.9
249.05940	6.6
251.17944	2.0
253.19598	5.7
257.18982	2.0
265.19562	1.4
267.21078	5.8
269.22607	18.7
283.20749	1.5
283.24124	1.9
287.23572	2.7
293.22626	19.0
299.06754	1.6
299.23563	1.3
311.23676	100.0
312.24084	6.4
329.24713	56.5
330.25116	2.3
342.43375	1.5
347.25986	4.1
355.07114	1.8
357.07016	1.9
467.76538	1.3
577.29926	3.2
612.29816	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	613.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17559	0.6
53.03936	0.6
55.01864	1.2
65.03949	5.4
65.04250	0.9
65.18320	0.8
67.05496	1.7
69.88681	0.6
71.01364	0.9
75.04501	0.7
79.05486	3.1
81.03408	1.8
81.07052	1.4
82.04172	1.3
85.02895	2.8
91.05446	4.7
93.03397	1.5
94.04182	1.7
95.04958	4.6
97.06540	1.3
98.23540	0.8
103.05463	18.7
105.03406	2.6
105.04520	0.8
105.07015	2.9
107.04941	3.4
108.02094	2.4
109.06499	2.5
109.75941	0.5
110.03657	1.5
111.04417	2.3
115.05442	3.3
117.07008	2.8
118.04151	3.4
119.04955	2.1
119.08607	1.0
120.05720	1.2
121.06471	1.7
122.03651	5.0
123.04436	3.5
124.05106	0.6
125.05988	3.1
128.06187	0.9
129.07002	2.2
130.04131	1.5
131.04924	26.9
131.08519	0.8
132.05695	0.8
133.02831	4.0
133.06499	5.2
134.03627	0.9
135.04420	1.2
135.08035	2.1
137.05975	58.5
138.03061	0.8
138.06268	0.7
140.04649	1.1
141.05492	1.4
141.06856	0.8
143.04955	1.4
144.05711	0.7
145.06459	3.3
146.03667	1.2
147.04422	2.7
147.08029	1.2
148.05171	10.4
149.06001	3.0
151.03909	78.2
151.04996	5.7
153.05463	6.8
155.05925	0.9
155.07043	2.0
157.06464	2.2
159.07997	0.7
160.05232	1.9
161.05954	3.1
162.06706	0.6
163.07547	20.0
165.05473	8.2
165.06827	1.0
166.06203	0.9
167.07043	9.0
171.04362	1.1
171.06564	3.2
173.06020	3.0
175.07585	6.8
176.04677	2.2
177.05486	4.6
177.09061	0.9
179.07021	2.3
180.07831	2.6
181.04953	49.1
182.05249	0.9
183.06583	1.0
187.07458	3.1
189.05479	1.0
189.06934	0.7
189.09085	1.8
191.07027	100.0
192.07402	2.9
193.04967	4.4
193.08583	2.3
197.08040	1.3
201.05409	1.1
203.07016	3.8
204.07744	0.7
205.06686	1.1
205.08589	4.1
206.07300	0.7
207.06502	3.9
207.10068	1.5
208.07274	5.8
209.08029	3.5
217.08598	1.5
219.10207	2.1
223.09610	1.4
225.07553	13.8
226.08286	3.9
231.06493	1.0
233.05998	1.1
233.08063	3.7
234.06679	0.7
235.07533	1.1
235.09651	4.8
237.09117	1.5
245.08134	1.0
249.09056	1.2
251.07066	1.0
259.09723	0.7
263.06686	0.9
263.09174	11.4
265.08563	1.3
267.10147	1.0
275.84140	0.6
277.08615	1.7
279.10001	0.8
291.12384	1.0
292.12555	2.0
295.09625	2.1
327.12299	2.8
329.10223	0.8
329.13831	1.7
337.10580	1.6
339.12378	1.4
341.13763	1.1
351.12231	2.1
355.11713	8.5
357.13284	2.1
359.14981	1.1
369.13211	3.1
372.09787	0.7
387.09567	1.1
387.14362	17.2
472.98163	0.7
526.01666	0.7
563.19482	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
65.03945	3.6
67.05506	2.3
69.29655	2.7
69.30058	2.4
71.01373	1.3
75.04454	1.0
79.05498	2.9
81.03424	2.7
81.07088	1.3
81.98336	1.0
82.04204	1.0
85.02893	2.7
91.05487	3.5
94.04187	2.2
95.04961	4.8
97.06557	2.5
103.05473	18.8
105.03392	2.4
105.04515	1.5
105.07055	1.8
107.04972	4.7
108.02100	1.3
109.06521	3.4
110.03652	1.4
111.04441	2.9
115.05473	3.7
117.07014	2.1
118.04182	3.2
119.04909	2.1
119.08645	1.3
119.89458	0.9
120.05760	1.3
121.06551	1.4
122.03663	4.1
123.04430	3.2
125.06039	2.1
129.06992	1.7
130.04128	1.2
131.04927	30.3
132.98369	0.9
133.02869	3.9
133.06479	5.8
135.08075	2.7
137.05977	59.7
138.03160	1.4
140.04684	1.1
141.05482	1.4
143.04897	2.1
144.05707	1.2
145.06505	3.0
146.03679	1.1
147.04427	2.9
148.05168	8.7
149.06038	2.0
151.03909	76.7
151.05013	6.5
151.07510	1.8
152.04153	1.1
153.05469	5.9
155.05937	1.3
155.07050	2.4
160.05270	1.0
161.05972	3.8
163.07549	21.7
164.07878	1.1
165.05475	7.9
167.07056	8.4
171.06534	1.5
173.05991	3.8
175.07561	4.5
176.04712	2.7
177.05437	4.5
179.07059	1.7
180.07793	2.4
181.04953	54.5
182.05313	1.0
183.06781	1.0
187.07585	1.6
189.05542	1.6
189.09084	1.4
191.07031	100.0
192.07376	3.3
193.04996	3.8
193.08595	2.5
195.06442	1.2
197.08234	1.2
203.07094	3.5
205.06693	1.4
205.08597	3.8
207.06543	3.7
207.10130	1.4
208.07285	6.3
209.08105	3.5
217.08624	2.0
219.06583	1.0
219.10159	1.5
221.08006	1.2
223.09624	1.6
225.07558	14.8
226.08295	2.1
231.06450	1.3
233.06044	1.2
233.08121	4.0
235.07475	1.4
235.09680	3.6
237.09071	2.0
247.07617	1.1
249.09145	1.3
263.06973	1.2
263.09174	9.8
267.10370	1.1
277.08759	1.1
279.06711	1.3
295.09637	1.5
309.11200	1.8
327.12195	2.0
329.13907	2.3
351.12155	1.2
354.76559	0.9
355.11829	8.5
355.16043	1.6
356.07266	1.0
357.13303	1.9
359.14682	1.3
369.13336	2.8
387.14395	19.0
406.81195	1.0
449.92896	1.0
548.45764	1.2
552.42432	0.9
613.30273	0.9
627.00488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2659
Annotation	Karajinone B
Peak:m/z	Relative Intensity
53.10213	0.2
56.49681	0.2
67.05502	0.4
69.34338	0.9
69.34745	0.6
79.05455	0.3
81.07047	0.4
86.12195	0.3
91.05464	0.5
93.07031	0.6
95.04985	0.4
104.10747	0.6
105.07016	0.3
108.06194	0.2
109.06528	1.3
133.10161	0.3
135.11728	0.3
143.08571	0.4
158.09711	0.3
159.11604	0.4
162.09225	0.3
172.03947	0.3
197.10788	0.4
197.66907	0.3
204.06529	0.4
219.61957	0.3
239.11723	0.3
249.10106	0.4
251.11804	0.3
318.12418	0.3
338.15631	0.3
352.13074	0.4
352.16980	0.4
353.17822	0.7
365.14011	0.6
366.14566	0.7
367.15445	0.7
367.19412	0.8
379.15640	0.5
380.16357	1.0
381.16824	2.5
381.21194	0.3
382.17920	0.5
392.16415	0.3
393.17233	0.8
394.17822	0.9
395.14935	0.3
395.18839	4.1
396.19504	3.5
397.20251	1.1
407.14417	0.4
407.19061	0.5
408.15366	0.6
408.20258	0.4
409.15640	1.7
409.20447	1.2
410.16718	0.4
410.21457	0.3
411.18250	0.2
411.21982	2.5
421.20605	0.5
423.17612	3.4
423.22711	0.8
424.18814	3.2
425.19806	0.5
435.17950	0.3
436.19382	0.5
437.16159	1.9
437.20605	0.8
438.20673	2.2
439.21408	5.6
449.19781	1.1
450.20679	0.5
451.16986	3.5
452.17810	2.2
453.19165	1.1
465.19406	1.4
465.24472	0.4
466.19824	4.0
467.20773	3.2
469.22693	0.5
479.20877	2.8
480.21701	0.6
482.23181	1.0
483.24133	1.5
493.22418	1.8
495.20197	0.3
497.18250	0.4
497.25378	1.5
508.24200	0.4
510.22787	1.3
511.19891	0.9
513.25079	0.5
521.21606	0.8
525.25024	10.2
526.25403	1.2
535.23376	1.0
536.24274	0.4
538.22180	2.4
539.22986	1.5
539.30804	0.4
552.20099	0.5
553.24487	19.3
554.24884	1.9
581.23633	0.3
584.22821	0.5
585.27435	0.5
595.25714	0.4
598.24438	0.8
613.26550	100.0
614.26801	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	613.266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81346	1.1
65.80911	1.1
80.23186	1.2
90.65530	1.2
93.06995	1.3
95.08659	1.6
184.51736	1.4
185.10765	1.5
198.97530	5.2
225.13829	1.4
237.14000	2.0
238.14664	1.9
249.13908	2.5
316.18182	1.4
353.17950	1.8
364.17935	1.4
378.18939	1.5
379.19385	1.8
391.19806	1.5
393.21027	1.4
397.20425	1.4
407.22751	1.6
421.20380	4.6
423.22318	1.9
424.19156	1.8
425.19678	2.7
435.21872	3.9
436.22247	3.8
437.23489	5.6
439.21078	10.2
447.22067	1.9
449.23642	3.3
450.18115	1.5
450.24313	3.1
453.22946	3.8
455.24783	1.8
463.20685	1.8
463.25983	2.1
464.22147	2.2
465.23486	1.5
467.24173	1.5
475.21451	5.2
477.22076	1.4
491.24417	3.2
493.22751	2.5
494.23718	1.7
508.24689	1.6
509.25674	3.0
511.12375	1.5
511.23618	2.2
512.24310	3.9
523.27020	25.2
524.26514	2.0
526.25714	7.7
527.26257	2.5
541.28094	57.6
542.28418	4.0
551.26733	10.5
552.25031	3.3
555.26917	5.1
567.26105	4.8
569.27667	13.1
571.25562	4.8
577.24756	1.9
585.27002	1.8
595.25470	8.8
613.26575	100.0
614.26190	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	613.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68809	0.9
56.96566	33.9
59.17614	1.1
67.05507	2.2
69.90000	3.7
70.06618	1.0
74.97626	1.3
79.05473	1.8
81.07066	1.5
84.96037	4.1
88.07613	1.0
91.05457	1.3
93.07047	2.4
95.08648	1.2
97.96822	1.5
98.91959	2.3
98.97582	80.9
105.07017	3.3
107.08602	2.9
110.97556	6.4
112.99129	36.5
116.97775	1.9
116.98618	38.4
117.96007	1.0
119.08607	1.6
121.10124	2.3
124.99100	2.7
128.98590	6.9
131.00169	43.8
133.10167	1.3
134.99655	9.1
135.08046	1.0
140.00208	4.4
140.98546	1.3
143.00151	8.9
145.10165	1.4
146.99611	3.4
149.01222	29.6
149.05930	1.5
151.07559	2.0
151.33337	1.1
152.00189	1.5
154.01764	3.5
155.00148	1.6
157.10265	1.2
158.01317	2.2
158.99658	36.7
161.01218	8.8
167.02290	3.6
170.99661	3.4
172.02856	4.7
173.01234	7.1
173.13246	1.3
177.00714	39.0
185.01210	5.3
187.02724	1.3
189.00708	6.0
191.02277	7.1
195.01709	2.7
199.02780	12.9
200.02298	5.1
201.00638	1.4
203.02287	3.2
209.01222	3.0
212.02260	1.3
215.02292	3.9
217.03871	5.5
219.01833	8.6
227.02258	2.2
233.03380	1.6
237.02779	6.7
240.05444	1.5
255.03883	1.5
256.26144	1.4
275.04297	18.0
293.05435	46.1
309.05081	1.4
311.06512	10.2
316.07104	8.0
317.17868	100.0
318.18280	4.0
334.08130	2.9
335.18921	32.0
358.20526	12.4
359.64688	1.3
373.20340	1.3
377.20035	10.8
391.21436	3.0
399.03403	1.1
403.21570	2.0
470.08667	1.1
491.06815	1.1
497.24484	5.7
508.54156	1.1
535.25305	1.2
537.30011	1.8
553.26868	92.9
554.27002	7.0
613.22498	1.5
613.41748	1.4
614.36401	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	613.289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	33.6
69.30453	5.2
72.04100	1.1
79.05502	0.9
81.07052	1.0
84.96043	4.9
95.04942	1.0
97.96822	1.0
98.91956	2.3
98.97579	83.9
101.87799	0.9
104.10791	1.0
110.97568	6.4
112.99129	30.3
115.97776	1.0
116.98619	34.9
124.99112	2.7
128.98618	6.1
131.00165	38.8
134.99660	8.6
140.00197	4.3
140.98642	1.4
143.00185	10.5
144.98090	1.3
146.99646	3.7
149.01222	28.1
152.98547	1.7
154.01750	4.8
155.00204	1.3
157.01765	1.1
158.99654	33.7
161.01244	8.0
162.99124	1.4
167.02263	2.5
170.99651	3.2
171.03294	1.0
172.02773	2.2
173.01228	8.1
175.02739	1.0
177.00710	33.5
185.01195	4.0
189.00717	3.7
191.02278	6.0
195.01791	3.4
199.02769	8.9
200.02316	5.1
201.00693	1.1
203.02248	4.4
209.01233	3.2
215.02237	2.7
217.03854	6.7
219.01801	9.4
226.03717	1.3
227.02289	2.1
233.03276	2.2
237.02896	6.7
240.05408	1.5
241.76721	0.9
245.10646	1.0
255.03821	2.1
275.04382	17.9
291.03607	1.7
293.05420	57.9
311.06451	10.9
316.07062	8.9
317.17862	100.0
318.18201	4.1
334.08093	2.5
335.18900	29.3
336.18988	1.0
358.20490	11.6
377.20004	11.7
391.21643	4.6
403.21741	2.3
412.97409	1.0
497.24524	5.3
535.25616	1.0
553.26837	74.5
554.27081	4.5
562.39392	1.0
613.38000	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4829
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.21704	9.9
52.05671	6.6
52.06272	7.2
55.05507	21.6
57.03446	8.0
67.05501	56.3
69.07076	20.7
79.05487	29.6
81.07053	59.6
83.08638	9.1
85.67076	7.7
91.05485	21.4
93.07034	38.1
95.08610	62.1
105.07025	29.0
107.08593	26.6
109.10152	18.6
112.11689	7.1
117.07021	13.2
119.08603	21.3
121.10164	10.4
131.08600	25.1
133.10141	31.1
135.11661	17.6
145.10130	18.3
147.11662	17.3
149.13249	10.4
157.10112	11.5
175.14873	10.2
259.20639	9.8
261.22046	12.5
335.26093	18.1
337.27386	11.6
521.43524	11.6
613.48511	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	7.2
60.92151	1.0
65.03934	1.2
68.92219	1.2
68.99779	4.7
70.02982	1.3
70.03301	2.6
70.06597	1.4
79.05492	2.8
89.91550	1.1
91.05472	13.1
91.05874	1.1
93.07063	7.7
95.04951	3.6
98.22786	1.4
102.80848	1.1
103.05469	9.4
105.07003	1.2
106.04153	1.9
107.04942	3.6
117.03373	3.8
119.04953	3.4
121.02869	1.7
121.06509	17.4
125.05971	2.1
131.04938	6.1
132.05692	4.7
134.03642	5.0
135.04405	4.3
139.07555	3.2
145.02876	3.0
147.04434	2.5
148.05234	2.8
149.05984	35.2
152.33229	1.3
153.05479	3.3
161.05992	2.4
162.03142	1.8
163.03931	11.6
163.07599	1.5
166.06248	1.6
167.07031	5.5
176.04715	4.0
177.05464	25.5
180.04190	3.9
181.05048	1.8
181.08583	28.6
188.34503	1.5
191.07030	24.9
191.08688	2.0
192.07787	4.3
195.06566	4.2
209.08090	81.8
210.08495	2.9
223.04074	1.1
223.06004	28.3
227.31760	1.4
251.09155	100.0
252.09738	2.8
259.10437	1.3
281.04803	1.8
313.07468	4.5
383.11069	7.9
415.13882	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	614.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01864	4.8
55.36318	2.9
57.03452	4.0
61.02950	3.7
66.18266	2.7
67.05530	3.4
69.03432	33.1
73.02927	4.7
79.05470	3.7
81.03417	15.6
81.07043	6.1
85.02905	91.6
85.06487	2.5
86.09703	4.1
87.00829	50.1
93.07057	3.9
95.08633	5.4
97.02900	30.7
97.06548	5.1
99.04466	8.3
105.01865	100.0
107.08630	2.8
109.02886	22.1
109.06514	4.6
110.71768	2.7
111.08080	7.8
119.08613	3.8
121.06438	3.0
121.10157	3.8
127.03914	69.2
131.08588	3.9
133.10114	4.0
133.59259	3.1
144.68375	3.2
145.04970	27.7
145.10162	3.7
149.06003	2.7
159.02864	5.7
163.03926	6.7
167.07043	5.6
209.07928	3.7
213.03845	3.0
213.12703	3.3
225.12758	5.4
231.04985	25.1
237.16415	5.1
249.06042	18.6
251.17921	4.6
253.19630	5.5
291.58377	3.2
295.20554	22.6
313.21631	40.8
314.22092	3.9
331.22632	36.6
492.37283	3.3
604.56915	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	614.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.5
55.01864	4.8
55.36318	2.9
57.03452	4.0
61.02950	3.7
66.18266	2.7
67.05530	3.4
69.03432	33.1
73.02927	4.7
79.05470	3.7
81.03417	15.6
81.07043	6.1
85.02905	91.6
85.06487	2.5
86.09703	4.1
87.00829	50.1
93.07057	3.9
95.08633	5.4
97.02900	30.7
97.06548	5.1
99.04466	8.3
105.01865	100.0
107.08630	2.8
109.02886	22.1
109.06514	4.6
110.71768	2.7
111.08080	7.8
119.08613	3.8
121.06438	3.0
121.10157	3.8
127.03914	69.2
131.08588	3.9
133.10114	4.0
133.59259	3.1
144.68375	3.2
145.04970	27.7
145.10162	3.7
149.06003	2.7
159.02864	5.7
163.03926	6.7
167.07043	5.6
209.07928	3.7
213.03845	3.0
213.12703	3.3
225.12758	5.4
231.04985	25.1
237.16415	5.1
249.06042	18.6
251.17921	4.6
253.19630	5.5
291.58377	3.2
295.20554	22.6
313.21631	40.8
314.22092	3.9
331.22632	36.6
492.37283	3.3
604.56915	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	614.333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35252	0.2
55.05496	0.4
55.23458	0.2
56.05024	0.3
56.72586	0.2
57.07077	7.2
58.06603	1.8
60.49137	0.2
62.24672	0.2
65.03936	0.9
68.05023	0.4
69.89034	0.8
70.06593	17.1
71.08630	2.6
72.08131	0.3
74.06062	0.5
85.10169	0.8
86.37260	0.2
88.07630	21.0
100.07595	0.3
102.09178	16.5
102.22531	0.2
102.84613	0.2
103.05470	0.4
103.09535	0.3
104.02642	0.3
121.02818	0.3
131.04893	0.3
136.95634	0.2
139.03874	0.4
147.04396	0.4
149.02339	40.0
150.02657	0.7
153.07005	0.2
175.03920	1.0
193.04965	48.0
194.05342	1.5
212.23755	0.6
219.06577	0.8
225.05489	0.9
238.25189	0.2
256.26352	41.5
257.26645	1.3
269.04471	1.7
297.03934	2.3
313.07089	2.8
341.06555	10.1
342.07016	0.4
359.07602	5.6
359.11874	0.4
385.09167	47.8
386.09613	2.5
473.84015	0.2
596.31885	0.6
614.33215	100.0
615.33539	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	614.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73266	1.4
53.03938	6.8
53.69785	1.5
55.01870	4.7
55.05511	7.4
57.03425	3.8
61.02930	3.2
62.90975	1.7
63.48540	1.7
67.05495	21.5
67.97617	1.4
69.03427	29.3
69.07070	12.3
71.04993	5.9
73.02912	4.6
79.05504	22.7
81.03419	24.1
81.07058	48.0
83.08617	5.2
85.02905	82.2
85.06535	3.8
87.00830	32.2
91.05477	28.3
93.07041	40.6
95.04970	3.8
95.08610	46.5
97.02902	26.5
99.04478	9.8
105.01862	51.1
105.02533	3.4
105.04514	1.8
105.07030	36.9
107.08592	46.5
108.04507	2.7
109.02168	3.3
109.02875	25.9
109.06560	2.3
109.10155	25.8
113.09629	2.8
117.01880	2.1
117.07011	9.0
119.08584	33.9
121.06566	1.9
121.09277	2.7
121.10139	41.8
123.08049	2.6
123.11732	11.3
125.09618	2.0
127.03916	61.7
128.06238	1.7
129.01823	2.9
129.07018	5.2
130.07791	2.5
131.08578	19.4
133.10136	42.9
135.07994	2.1
135.11693	29.9
137.09642	6.9
137.13255	3.6
143.08565	14.7
145.04945	24.2
145.10130	29.4
145.74123	1.6
146.05493	1.8
147.11684	34.6
149.09586	3.0
149.13266	21.9
151.11200	5.9
155.08546	1.6
157.10101	17.4
159.02875	13.0
159.11691	32.3
161.13251	34.5
163.03941	5.1
163.11195	3.3
163.14827	69.4
164.15282	2.4
165.12740	3.4
169.10085	3.5
171.11670	11.9
173.13266	23.8
175.14822	34.8
177.12846	2.0
179.14224	2.1
183.11713	3.8
185.13240	12.8
187.14851	15.7
189.03899	2.3
189.16412	20.1
197.13272	5.5
199.14828	16.5
201.16449	7.7
203.14305	2.8
208.69182	1.8
211.14844	6.4
213.04024	5.0
213.16359	11.3
215.18007	3.1
217.15906	2.4
225.16365	5.1
227.18013	2.7
231.05025	24.9
239.17937	6.1
241.19591	2.3
249.06076	10.4
253.19597	5.2
267.21030	4.0
269.22641	100.0
270.23004	5.4
285.22058	2.2
287.23752	14.0
293.22720	2.0
295.24207	89.2
296.24652	4.2
307.49176	1.6
313.25235	54.5
314.25467	2.2
331.26395	3.4
407.54138	2.1
499.26804	2.6
535.28809	7.7
561.29907	4.2
582.41785	1.7
614.39252	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	614.484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	4.2
57.07078	57.8
67.05499	2.7
69.07065	10.8
69.35139	6.3
71.08635	52.5
72.08944	1.4
73.06556	6.8
79.05476	2.0
81.07050	3.7
83.08616	5.8
85.10178	33.5
86.12226	1.4
87.04481	5.8
89.06033	100.0
91.05473	3.0
93.07027	2.0
95.04976	2.0
95.08614	2.2
97.10163	3.1
99.11706	7.3
105.07001	3.1
107.07067	1.8
107.08608	2.7
109.10149	3.5
111.11720	2.5
113.13255	7.5
117.09128	6.0
119.08607	2.3
121.10146	1.7
125.13270	2.3
127.14853	4.0
130.08626	2.9
131.07028	3.3
133.08606	74.9
135.10188	2.0
145.10117	2.6
145.20854	1.6
151.51782	1.7
159.11723	2.0
175.09538	1.8
177.11226	32.0
180.13824	3.2
198.97453	2.7
221.13702	7.4
235.14774	1.6
239.14865	1.8
240.23204	1.7
271.26312	4.1
283.17542	1.9
315.28946	5.9
317.99854	1.8
327.20044	2.8
371.22855	3.1
386.81961	1.5
415.25452	9.9
529.25134	2.2
597.45892	14.5
614.48859	7.2
615.40594	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	614.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	3.1
55.30164	0.7
56.13974	0.7
57.07076	49.6
60.34156	0.8
67.05489	1.4
69.07072	7.2
69.77856	1.7
71.08632	51.5
73.06557	6.7
81.07054	1.6
83.08614	2.7
85.10180	30.7
87.04458	6.1
88.97809	0.9
89.06030	100.0
91.05498	0.9
91.07588	1.1
93.07050	2.0
95.08609	1.5
97.10179	3.4
99.11745	7.7
105.07050	1.8
107.07069	2.8
107.08571	1.6
109.10144	0.9
111.11720	3.6
113.13279	7.0
117.09143	7.0
119.08572	1.8
121.10159	1.1
125.13276	1.9
127.14821	4.1
130.08676	1.7
131.07045	3.0
132.28287	0.8
133.08603	69.8
135.10173	1.2
151.29256	0.8
161.11786	2.6
167.10809	1.0
171.11748	0.9
175.09665	2.2
177.11220	30.2
183.21080	2.2
189.12601	1.0
207.11183	1.0
221.13774	8.3
222.14070	1.0
227.23676	3.1
239.14848	2.0
247.50082	0.9
265.16476	2.9
271.26346	6.4
283.17538	3.3
309.19043	1.5
315.28867	6.6
322.01743	0.9
327.20294	2.1
353.22046	1.2
371.22925	2.1
415.25403	11.4
529.25110	1.7
553.43005	2.2
597.45813	17.2
614.48932	6.3
615.39771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.258
Annotation	Unknow
Peak:m/z	Relative Intensity
71.22749	1.8
74.37786	1.4
75.72833	1.3
76.51120	1.4
89.06021	1.4
103.43707	1.1
126.83517	1.1
142.99141	1.2
307.15509	1.2
506.78165	1.2
509.19421	1.5
510.20142	7.1
524.21796	2.4
539.24164	100.0
540.24365	7.7
615.25488	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	616.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50642	1.9
51.28540	1.9
69.03415	2.2
69.21635	6.7
69.22041	2.9
70.06583	4.4
73.34883	1.8
79.05489	9.1
81.03417	8.2
83.20552	2.2
85.02922	7.3
85.24648	1.8
86.09704	3.9
91.05462	4.3
95.04973	4.3
105.07038	2.5
105.92726	2.0
107.04945	18.5
115.05457	5.4
117.03375	2.2
117.06992	9.5
121.06501	2.3
123.04472	5.8
124.05209	3.6
125.06042	2.7
128.06177	2.2
129.07030	4.1
131.04878	2.5
131.08583	3.2
141.06970	3.9
142.75470	2.0
144.05692	4.9
145.02895	9.3
145.05338	2.6
145.06487	29.9
147.04382	3.2
155.06032	6.7
156.05681	8.5
157.06442	3.3
159.08072	9.9
161.05984	5.0
163.03973	3.2
167.07048	100.0
168.07314	2.6
170.07253	2.4
172.05278	2.9
173.05997	48.5
177.05470	13.9
178.05795	6.3
181.08585	12.2
184.05278	2.5
187.07555	10.1
190.06255	30.1
193.08655	7.6
202.06244	6.1
203.06982	4.5
204.07671	2.6
205.08603	79.6
206.08922	2.9
215.06906	2.2
217.08600	50.6
219.08170	3.3
219.10181	7.4
223.09578	4.2
231.08047	3.4
231.10141	17.2
233.09731	3.1
235.09647	23.4
236.08281	2.4
243.33224	2.1
245.09587	2.6
247.07458	4.2
247.09683	11.1
248.08267	3.5
249.11162	9.9
251.10809	2.2
261.09027	2.6
263.10587	4.0
264.07672	2.6
265.08398	3.5
265.10791	23.4
269.08087	4.2
276.07709	3.2
278.15714	3.3
279.10052	4.3
290.09357	3.5
291.10236	4.6
293.08020	3.1
295.16788	4.3
296.16898	8.2
308.10434	2.9
315.08679	11.7
323.12701	4.5
330.10968	13.6
331.11752	4.9
336.09866	2.8
337.10501	5.2
351.12210	6.3
353.13748	3.1
356.12381	2.6
368.12411	4.5
369.13229	2.5
371.14871	7.7
383.14890	54.7
383.57980	2.3
385.16394	22.1
401.15976	35.8
430.07007	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	616.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38685	1.0
55.01871	2.3
67.05610	0.9
70.06594	1.1
71.46046	1.0
71.46464	1.2
75.04492	2.8
78.04718	2.2
79.05512	2.4
79.96597	1.0
85.02918	3.7
88.65034	1.0
89.03911	2.4
89.06025	1.7
91.05475	10.0
93.03412	11.2
93.07064	4.1
95.04980	5.7
97.06532	1.6
103.05470	6.0
105.03444	1.1
105.04506	1.9
105.07031	9.4
106.04173	23.8
106.04832	1.8
107.05006	1.3
115.05490	1.2
119.04926	1.6
121.06503	27.2
123.08090	1.2
125.05977	8.4
131.04980	3.0
133.06502	9.6
134.03656	3.1
137.06009	3.7
138.06749	1.1
139.07515	1.7
143.22928	1.0
145.02797	1.6
148.05162	2.3
149.05989	47.6
151.07565	2.0
153.05440	1.1
153.09114	12.0
161.05980	20.1
163.03848	1.4
163.07536	4.3
166.06261	1.1
167.07034	2.5
177.05461	22.7
181.08611	17.1
181.10118	1.7
191.07039	21.4
193.08612	23.7
195.06555	1.4
208.86107	1.0
209.08087	100.0
210.08443	3.1
273.87210	1.0
276.47238	1.1
387.14377	3.3
503.04816	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05384	1.5
53.03941	2.0
53.21321	1.5
55.01861	2.9
69.03437	3.3
69.58549	4.5
69.58933	4.0
70.06577	3.0
74.87766	1.7
78.04697	2.9
79.05489	9.5
81.03419	14.1
85.02901	6.5
91.05477	6.1
93.07035	1.8
95.04999	2.1
97.02867	3.8
97.06502	3.3
103.05415	2.5
105.06999	2.7
107.04955	21.2
115.05424	5.8
117.07021	12.8
121.06503	3.1
123.04430	6.3
124.05214	5.8
125.05983	2.3
128.06178	1.8
129.06999	4.5
131.04956	2.1
131.08559	5.2
133.06488	3.3
137.05969	2.9
141.07018	3.2
144.05682	4.8
145.06485	33.5
147.04430	3.3
149.06001	4.2
152.04630	3.2
155.06026	7.4
156.05698	10.7
157.06442	2.8
159.08017	10.8
161.05994	5.4
163.03961	2.8
167.07045	100.0
168.07294	1.8
171.08014	2.3
173.04510	2.9
173.05992	52.1
175.07620	1.8
176.04672	1.7
181.08643	11.2
184.05161	2.7
187.07603	11.7
190.04590	1.1
190.06253	29.5
191.07056	4.3
193.08583	7.7
195.06609	2.6
199.07574	2.2
201.09256	2.2
202.06273	4.3
203.07039	5.7
203.10677	2.1
205.08607	86.4
206.09065	2.3
215.06956	2.4
215.92398	1.7
217.08603	52.7
219.08130	3.7
219.10170	7.5
229.08725	2.4
231.08168	3.2
231.10202	16.9
233.09637	4.0
235.09665	24.3
236.49837	1.9
247.07498	5.2
247.09689	10.4
248.08301	5.2
249.08978	2.6
249.11208	8.2
250.14459	2.4
256.31052	1.9
261.08984	3.4
263.10919	2.6
264.07837	5.2
265.08167	2.4
265.10712	28.9
269.08130	3.3
271.09525	3.1
276.07834	2.8
277.08447	3.4
279.10181	2.8
291.10059	4.1
299.09055	2.2
307.09637	3.7
308.10352	3.7
311.12677	2.6
315.08673	10.8
319.09525	3.0
321.11035	2.8
323.12555	4.2
330.10983	16.7
331.11700	5.6
336.09879	3.3
337.10632	3.0
339.12186	2.8
343.11853	2.5
351.12161	7.1
353.10052	2.7
356.12463	2.1
368.12323	3.4
369.13251	3.0
371.14743	4.8
383.14911	48.9
385.16510	22.9
386.17017	1.9
401.15967	33.1
402.16125	2.0
431.18628	2.0
505.19977	2.1
616.25433	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	616.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.8
65.03935	2.1
69.03429	3.5
69.04292	1.9
69.16911	7.7
69.17322	4.9
75.80363	1.8
78.04691	2.6
79.05498	7.7
81.03425	7.9
82.10229	2.5
85.02908	6.6
86.46868	1.9
91.05468	6.1
95.04977	4.1
97.02908	3.4
103.05493	2.5
103.09112	1.8
107.04971	14.7
112.11184	2.2
115.05476	3.6
117.07026	6.3
119.04948	4.9
123.04453	4.5
124.05235	4.7
127.03938	3.6
129.07011	3.2
130.12271	9.8
131.08595	4.0
137.90344	1.8
142.74191	2.0
144.05765	2.7
145.06487	23.8
147.04420	15.7
148.04703	5.3
152.04657	2.2
155.06009	4.5
155.07083	3.1
156.05717	9.0
157.06541	2.8
158.07268	2.3
159.08084	8.0
161.05908	2.4
162.13936	2.1
163.03961	6.5
167.07040	100.0
168.07310	1.9
169.06487	2.5
171.08005	2.1
173.05995	32.6
181.08635	6.4
187.07578	8.1
190.06265	20.3
191.07019	3.5
193.08612	3.8
199.07399	3.1
202.06297	5.1
202.14854	2.0
203.07050	4.2
204.07855	2.7
204.09856	1.9
205.06671	3.0
205.08609	53.9
205.10442	3.4
206.24448	2.0
207.06473	2.4
215.06973	2.3
217.08592	54.6
218.07376	2.0
219.08192	2.9
219.10143	4.6
231.08109	3.2
231.10193	26.3
232.09729	13.5
233.09995	8.6
235.09567	13.4
247.07562	4.1
247.09697	12.3
248.08400	4.0
249.11197	3.8
261.08823	2.6
263.10706	3.3
264.07840	4.4
265.08426	2.4
265.10736	17.0
269.08151	3.2
275.06863	2.3
279.10349	4.1
281.08148	2.7
282.48383	2.1
291.10229	4.4
307.09781	4.9
315.08630	11.3
319.09607	3.0
323.12726	4.3
330.11053	15.1
331.11682	4.8
337.10794	2.2
339.12155	2.8
351.12424	4.5
353.10266	3.4
368.12698	6.1
371.14856	5.7
383.14905	36.6
385.16541	22.3
401.16013	23.1
401.27359	2.6
453.20511	2.3
454.20526	6.0
548.71600	2.2
616.25934	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	616.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	0.2
56.05034	0.6
56.96567	3.9
58.06599	0.8
60.07864	0.4
60.08163	6.6
61.87221	0.2
65.04719	0.2
67.05514	0.6
68.85953	0.2
69.10226	1.7
69.64014	0.2
71.07378	3.3
72.08149	0.8
79.05481	0.3
81.07032	0.4
84.96031	0.4
86.09709	14.3
91.50061	0.2
97.96799	0.5
97.99173	0.2
98.23452	0.5
98.97595	0.7
102.92636	0.8
104.10744	100.0
105.11082	1.0
110.97607	0.6
115.97860	0.3
116.98663	0.3
118.92089	0.6
123.07773	0.2
124.99175	0.4
125.00018	0.3
128.98625	0.9
136.93112	2.5
143.00143	0.3
154.94162	3.5
161.01270	0.5
162.94684	1.3
172.95232	3.4
180.95728	5.5
190.96335	0.7
198.96794	11.8
203.97318	0.7
210.96774	1.3
216.97841	5.9
221.98422	1.1
228.97874	1.7
239.09583	0.3
239.99438	0.3
240.09953	0.4
250.01147	0.3
254.99409	1.1
279.12573	0.3
282.03906	0.6
283.01874	0.5
296.05557	0.3
300.05008	0.3
314.06732	0.6
317.17871	19.1
318.18292	0.4
333.17337	0.5
335.18915	6.5
358.20471	2.0
437.17740	0.8
441.17084	0.7
453.17139	1.5
471.18268	2.8
494.19284	0.3
497.19690	2.8
500.24490	7.4
501.24026	0.3
506.68372	0.3
556.27100	15.7
557.27753	0.9
616.29071	9.2
617.22394	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.2
56.05023	1.9
56.96561	4.2
58.06576	1.0
60.08164	6.6
66.03655	0.5
67.05498	2.1
69.03412	0.8
69.07072	0.9
70.00083	0.8
70.00397	0.9
71.07378	6.0
72.08144	1.0
79.05490	1.4
80.34905	0.5
81.07053	2.3
83.04956	0.8
83.08627	1.2
85.06571	0.6
86.09707	24.1
86.52299	0.5
91.05481	2.1
93.07043	3.3
95.05004	1.2
95.08607	2.2
97.06525	0.9
97.96797	0.6
98.97587	0.6
102.92595	0.7
104.10744	100.0
104.98996	0.5
105.07036	2.5
105.11047	1.0
106.07300	0.6
107.08580	2.6
108.08950	0.6
109.10156	0.7
110.97578	1.0
116.75314	0.5
117.07006	0.9
118.92064	1.0
119.08575	2.0
120.08937	0.6
121.10126	2.5
122.10481	0.6
123.08052	1.7
125.00008	0.8
125.05968	0.6
125.09605	0.5
128.06281	0.5
128.98607	1.4
131.08591	1.6
133.10159	1.3
135.08081	1.2
135.11749	0.5
136.51369	0.5
136.93140	3.9
137.09628	0.6
142.07803	0.8
143.00252	0.6
143.08545	0.6
145.10132	1.5
146.99611	0.8
147.08087	1.1
147.11597	0.7
149.02364	0.5
149.09621	0.7
151.07536	0.8
154.94147	4.5
155.08534	0.5
156.09241	0.5
157.10063	1.1
162.94733	1.0
163.11150	0.9
165.09064	0.8
167.10687	3.1
168.11050	0.8
169.10152	1.0
171.11653	1.0
172.95216	4.9
173.09639	0.6
177.09052	0.5
178.18871	0.5
180.09286	0.5
180.95737	8.1
181.10107	0.8
181.12184	1.0
183.11696	0.8
187.11420	0.5
189.12801	0.7
190.96298	1.8
195.11671	0.7
197.13388	1.0
198.96796	21.0
201.12698	0.5
203.14252	0.9
203.97411	0.8
207.11812	1.0
210.96808	1.7
216.97874	9.6
221.13304	0.6
221.15430	1.9
221.98453	2.0
228.97774	2.6
233.15424	2.1
233.98227	0.6
234.15717	0.9
239.99463	0.6
240.09901	2.0
254.99472	1.7
264.03677	0.6
300.05103	1.4
314.06760	0.8
317.17883	28.3
318.18430	0.7
335.18961	9.9
358.20605	2.7
373.20633	0.7
437.17661	1.8
441.17032	1.4
453.17313	3.1
461.30972	0.5
471.18185	3.1
497.14807	0.8
497.19821	3.8
498.14667	2.7
500.24554	10.5
556.27124	20.3
557.16357	4.5
557.27795	1.0
598.39209	0.9
615.40247	1.5
616.17706	7.4
616.29175	16.2
616.40656	4.9
617.18304	1.4
617.29852	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15709	1.0
55.05500	2.8
57.06818	1.8
57.07078	28.4
59.05003	2.2
67.05504	2.0
69.03423	2.5
69.07066	3.3
71.04962	0.9
71.08630	24.8
73.06557	9.0
73.45142	0.9
77.31988	0.9
79.05486	3.6
81.07049	5.0
83.04958	1.6
83.08628	3.3
85.10181	22.6
87.04474	8.0
89.06031	100.0
91.05476	4.4
92.55816	0.9
93.07045	6.8
95.04972	1.9
95.08606	2.8
97.06516	1.8
97.10197	1.2
99.11745	2.2
105.07029	6.2
107.07053	3.1
107.08558	5.4
109.06541	2.0
109.10142	2.3
111.08116	1.1
117.07000	2.4
117.09128	8.7
119.08583	5.1
121.06467	1.3
121.10145	6.7
122.10498	1.2
123.08077	4.2
127.28831	1.0
129.07021	1.8
130.08652	1.8
131.07089	2.2
131.08560	2.6
133.08604	47.0
133.10164	2.9
135.08075	1.5
137.09576	1.5
141.16362	3.1
142.07794	2.3
143.08548	2.9
145.10078	5.1
146.10417	1.1
147.08072	2.1
147.11632	1.4
149.09647	1.5
151.07533	2.0
157.10172	3.1
158.10551	1.1
159.11719	2.4
161.09637	1.3
161.11697	2.6
163.11169	2.1
164.15341	1.1
165.09163	2.8
167.10616	7.6
168.10918	1.6
169.10097	1.5
171.11659	1.6
173.13280	1.3
175.09721	1.9
175.11108	1.2
177.11209	20.1
181.12267	1.9
183.11684	1.3
185.09680	1.2
185.18985	5.8
187.14905	1.0
189.12669	1.1
197.13264	1.3
199.14819	1.4
203.14346	1.9
205.46002	1.1
210.14050	1.0
213.12706	1.0
216.52959	1.0
221.13741	4.4
221.15402	3.8
223.11153	1.1
229.21626	12.2
233.15344	2.3
239.14789	1.6
265.16342	1.2
271.17047	1.0
273.24182	6.5
278.20300	1.1
283.17566	2.7
286.19275	2.0
287.20206	1.6
309.18964	1.1
459.27734	2.1
557.16345	3.0
599.43536	7.6
616.17383	3.9
616.39294	5.7
616.47369	1.4
617.42371	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	617.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	17.3
56.96841	1.4
59.68372	0.7
70.06597	0.9
71.64805	0.6
72.08166	0.6
76.59182	0.6
77.94051	0.6
84.96041	2.5
89.79838	0.6
91.05470	1.3
98.97582	53.7
105.07059	0.8
109.06541	1.3
110.97566	3.8
112.99142	2.1
115.00702	1.2
116.98621	19.1
119.04969	1.1
121.06582	0.7
123.08080	2.6
124.99141	2.5
127.00747	0.9
128.98648	3.7
130.12294	1.2
131.00183	1.8
133.98387	0.8
134.98720	0.6
134.99637	3.6
138.97040	0.8
139.00690	1.1
140.00195	1.7
140.98624	1.1
143.00159	6.8
145.01736	1.5
146.99658	1.4
147.04362	4.7
149.06111	0.7
149.09589	3.1
151.07510	3.6
153.02284	1.6
156.98145	1.2
157.01711	4.3
158.99658	8.1
161.01233	6.0
161.04826	0.9
163.04008	1.6
169.05472	0.7
170.99606	4.9
171.03355	2.2
173.01187	0.9
173.88306	0.7
174.99095	1.0
175.02821	2.5
177.00729	7.1
179.02298	0.7
179.03828	1.1
182.99701	3.8
185.04964	1.1
189.00705	7.2
189.04333	1.6
189.12762	1.5
191.02243	1.0
193.05342	1.4
195.06848	0.8
197.04803	4.8
201.00711	8.8
203.06047	1.7
205.05460	1.8
207.01709	1.2
207.03413	0.8
207.06960	1.3
209.08052	1.7
211.06422	3.2
213.00793	1.5
213.07903	0.8
215.05986	2.1
219.01738	10.2
219.03481	0.9
219.06931	0.9
221.08531	1.7
223.06375	5.3
225.07957	1.1
229.07559	1.3
231.01831	2.4
237.02800	3.7
237.08072	3.0
239.05898	1.4
239.09537	9.9
241.07440	5.2
245.08510	3.1
247.06671	0.7
249.02766	11.2
249.04854	0.8
253.07336	0.9
257.10608	4.4
263.09552	20.1
265.07672	1.2
265.11011	1.3
267.03815	3.6
281.10599	25.1
281.13727	1.2
283.12216	1.1
287.09552	0.8
291.03854	14.1
299.11768	3.2
305.10577	29.8
309.04935	1.0
309.18149	1.8
317.10699	2.6
323.11606	10.3
335.11752	1.2
345.10117	9.8
347.11688	1.6
363.11169	2.5
365.12701	1.7
377.12930	1.2
407.14023	0.8
425.14871	13.8
437.14877	11.5
443.16159	0.9
557.19055	100.0
558.19458	5.1
617.20685	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	6.8
57.36434	1.0
70.06593	1.0
70.61847	1.4
84.08134	1.8
84.96017	0.8
86.09686	1.0
98.96978	1.8
98.97583	22.8
107.02117	0.7
110.97577	2.1
112.21267	0.7
112.99108	1.3
115.00706	1.2
116.98621	7.6
124.99128	2.8
128.98595	3.2
129.10205	1.8
131.00154	1.9
133.01711	0.9
134.99681	1.6
139.00674	2.8
139.76831	0.9
141.02238	1.9
143.00154	7.2
146.99626	1.3
149.09602	1.8
157.01724	2.3
158.99655	2.9
159.03310	3.3
161.01219	4.9
161.02614	1.9
167.07033	3.4
168.07436	1.6
170.99609	5.4
173.05980	0.9
175.02779	2.3
177.00743	2.8
179.02414	0.9
179.03799	22.2
181.05217	0.9
182.99680	3.6
185.01151	0.8
189.00713	3.9
189.12802	1.0
191.02237	0.9
197.04858	21.6
201.00684	7.8
205.05324	3.5
205.08542	1.5
215.05894	8.2
218.08786	1.0
219.01744	10.9
219.06940	1.0
223.06329	6.7
231.01645	1.8
233.06920	1.5
235.09692	1.0
237.02814	7.0
237.08049	2.0
241.07632	1.5
245.08481	16.0
249.02811	15.6
263.09543	45.2
264.09912	1.0
267.03906	3.7
281.10559	13.9
286.11145	1.2
291.03903	4.3
299.11627	3.5
305.10635	3.9
317.10425	5.0
323.11734	1.2
345.10083	49.3
346.10419	1.8
351.28873	1.0
363.11032	1.7
384.15070	1.3
425.14868	9.3
437.14835	22.8
438.15283	1.6
473.24142	1.0
557.19031	100.0
558.19269	6.2
617.26184	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	21.4
67.05502	1.5
69.87897	2.1
76.67645	0.6
79.05519	0.9
81.07069	0.8
84.96037	18.8
93.07048	0.8
95.08624	0.8
97.96801	0.6
98.97580	15.0
102.97083	1.5
104.10760	0.8
105.07013	1.1
108.39804	0.6
110.96889	0.7
110.97562	3.1
112.99129	1.4
115.97889	0.8
116.98610	6.5
124.99137	5.6
128.98605	5.0
131.00171	2.5
131.01048	0.8
134.99698	1.3
136.99184	0.9
140.00214	1.1
140.98579	4.4
143.00162	13.3
144.98088	4.6
146.99673	2.9
149.01225	3.6
155.00188	2.2
157.01808	1.0
157.10139	0.6
158.99724	2.4
161.01222	11.5
162.99152	6.0
164.98572	0.6
166.01813	1.0
167.02342	1.6
171.11784	0.7
172.94363	1.0
173.01181	3.0
175.02965	0.8
179.02306	1.1
180.94766	2.9
182.99689	5.4
184.02925	0.9
186.00847	0.8
187.02837	0.8
190.95355	1.4
191.02280	0.8
198.95844	3.9
201.00716	10.5
203.02353	1.0
216.96967	1.1
217.03990	1.4
219.01782	2.2
224.02438	1.0
224.97437	1.4
228.97014	2.3
240.96916	4.2
242.98537	2.2
246.95923	2.6
254.98428	1.1
258.98047	1.3
264.96906	9.3
265.18710	0.6
265.99966	0.6
282.97946	16.7
287.98337	0.9
296.99554	1.0
300.98969	10.6
305.99570	2.6
317.17868	24.7
318.18246	0.8
335.18988	8.3
339.00760	0.6
357.02039	4.2
358.20563	2.7
375.02817	2.4
391.22174	4.7
394.01559	0.8
409.97385	0.7
522.20715	0.7
557.21283	1.3
599.22186	2.5
617.23029	100.0
618.23529	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.5
56.96568	3.6
57.03436	4.2
58.06636	1.2
60.08162	6.2
65.03983	0.9
67.05509	23.0
69.07083	5.5
71.07079	1.0
71.07427	3.2
76.79835	0.7
79.05495	10.8
81.07059	18.4
83.08662	1.7
86.09708	22.3
86.86274	0.8
87.10099	2.1
91.05479	5.1
93.07049	10.7
95.05019	1.5
95.08611	12.7
98.97592	5.6
98.98512	1.2
104.10745	49.6
105.04552	1.1
105.07040	3.7
105.11071	9.1
107.08618	5.3
109.10170	4.1
110.97664	2.0
112.99213	2.3
116.98688	2.6
119.08636	3.1
120.96708	1.6
121.10175	4.0
123.11785	0.7
124.99982	8.8
128.98656	1.5
131.00232	2.5
131.08629	1.9
133.10188	1.5
135.11760	2.1
136.93159	1.7
145.10100	1.0
147.11667	1.1
149.01251	2.1
154.94250	2.8
156.97572	1.6
158.99730	2.2
161.01314	0.9
161.13257	0.8
162.94720	0.7
170.99756	2.1
172.95273	3.3
173.01218	1.0
173.13365	0.9
174.98552	1.3
176.99344	1.0
177.00739	1.7
180.95728	3.5
184.07352	30.0
184.70146	0.7
185.01215	0.8
185.07687	1.1
189.00816	2.6
189.03302	0.7
190.96367	1.1
198.96837	9.7
198.98495	1.2
199.97325	0.8
203.02400	0.9
203.05341	4.1
210.96811	1.7
213.00134	2.4
216.97845	5.0
219.01796	1.3
221.00598	0.8
228.98058	1.6
240.09967	2.0
254.99493	1.2
261.02811	1.1
265.00848	3.6
279.03769	1.2
283.01892	100.0
284.02255	1.0
293.05453	1.7
301.01764	2.1
317.17847	7.7
318.18207	10.3
321.04889	3.2
324.04440	2.8
335.18991	2.2
335.25797	22.6
336.19421	3.8
336.25980	1.2
358.20627	1.1
375.25113	1.4
437.09839	0.8
437.20035	2.1
455.10239	1.2
459.18237	1.1
472.18564	1.2
498.20105	1.8
500.24393	1.0
501.25085	4.2
518.32324	2.3
519.32874	1.0
535.78564	1.1
556.26373	1.1
557.27411	11.4
599.24976	0.8
616.82056	3.6
617.26501	27.8
618.26868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00251	0.6
51.13645	0.7
53.03914	0.9
55.05522	3.6
57.03439	3.6
57.06997	0.6
65.03921	0.9
67.05507	17.0
69.07060	4.5
69.57537	2.6
72.65440	0.7
79.05496	9.0
81.07063	16.3
83.08593	1.2
91.05476	3.5
93.06538	0.7
93.07050	9.4
95.04922	1.8
95.08610	12.3
95.79778	0.6
97.06514	0.6
98.22701	0.7
105.04488	0.6
105.07037	3.0
107.08588	4.1
109.06451	0.8
109.10183	3.9
119.08537	2.5
120.96645	1.1
121.10126	3.4
123.11663	1.4
128.49397	0.6
131.08542	1.5
133.10109	1.8
135.11667	2.2
145.10092	1.0
156.97482	1.0
170.89127	0.6
174.98540	1.2
176.99220	1.0
198.98550	1.0
203.05200	4.8
212.99997	1.5
227.30298	0.6
265.00897	3.4
283.01901	100.0
284.02280	0.8
301.01578	1.2
324.04486	3.1
335.25806	18.6
357.04495	0.7
357.24249	0.9
375.24826	0.9
393.06815	0.7
405.69949	0.7
437.20224	0.7
455.20535	1.1
492.42740	0.7
524.59625	0.7
599.26483	0.8
617.26868	27.3
618.26959	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
56.05025	0.9
56.96562	4.2
57.03431	0.3
58.06594	0.9
60.08164	6.1
66.28682	0.3
67.05489	1.2
68.82994	0.3
69.07056	0.5
71.07370	4.5
71.95260	0.4
72.08142	1.0
81.07045	0.9
86.09704	20.2
89.67015	0.3
91.05515	0.3
95.08611	0.6
97.96784	0.5
98.22614	0.6
102.92607	0.7
104.10740	100.0
105.11090	1.1
106.88386	0.3
110.97561	0.5
112.66949	0.3
118.92107	0.9
124.99992	1.2
128.98607	0.5
136.93129	3.5
154.94171	5.6
162.94661	2.5
172.95265	4.1
177.95912	0.4
180.95721	10.2
181.02641	0.7
190.96310	1.2
192.95824	0.5
198.96796	19.9
203.97401	0.5
210.96835	2.0
216.74753	0.3
216.97844	8.2
216.99878	0.5
221.98354	1.7
228.97862	2.4
236.98318	0.4
239.09619	0.4
239.99500	0.4
240.09927	1.9
244.02589	0.3
254.99422	1.8
258.04318	0.4
282.04126	0.8
296.05899	0.3
300.05255	1.0
314.06967	0.8
319.19418	13.4
320.19803	0.7
337.20486	16.7
338.20999	1.1
355.21701	0.6
360.22052	2.5
375.22079	0.5
439.19360	0.9
443.18771	1.5
455.18494	1.7
473.19653	5.3
496.21494	0.4
499.21387	4.4
502.26102	8.9
503.26276	0.7
506.73862	0.9
507.23837	0.4
558.28680	16.3
559.28766	1.1
618.30774	17.9
619.30811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90795	0.4
55.05526	2.2
56.05031	0.7
56.96569	2.6
57.07056	0.7
58.06593	0.9
58.51432	0.3
60.08170	6.6
67.05500	2.1
69.03452	0.6
69.07069	1.3
69.57548	0.3
70.62510	0.6
71.04989	0.7
71.07374	3.5
71.25857	0.4
72.08155	0.4
76.03252	0.3
79.05501	1.7
81.07056	2.4
83.04983	1.3
83.08619	2.3
85.06059	0.4
85.06549	0.5
86.09710	12.8
87.04460	0.8
91.05469	2.3
93.07050	3.6
95.04953	2.0
95.08604	2.3
97.06537	1.2
99.04463	0.4
102.92564	0.6
104.10747	100.0
105.07041	4.9
105.11040	0.9
107.08609	3.2
109.06512	1.6
109.10157	1.8
113.09661	0.5
117.07047	1.1
118.92070	0.4
119.08601	4.1
121.06512	0.8
121.10159	3.2
122.84985	0.4
123.08062	1.5
125.09669	1.0
128.06277	0.8
129.07005	1.5
131.08543	2.5
133.10138	2.6
135.08084	0.7
135.11703	0.9
136.93158	2.2
137.09651	0.8
139.11172	0.7
141.06964	0.5
142.07796	1.4
143.08572	1.9
144.09308	0.5
145.06461	0.4
145.10135	3.9
147.08032	0.5
147.11722	1.3
149.09654	0.8
151.07454	0.5
154.44899	0.4
154.94194	2.9
155.08554	0.9
155.10609	0.5
156.09360	1.1
157.10156	3.3
158.10835	0.5
159.08138	0.9
159.11729	1.4
161.09639	0.9
162.94714	1.2
163.11211	0.4
165.09198	0.7
167.08598	0.9
167.10774	1.2
169.10149	1.7
170.10858	0.7
171.11658	1.8
172.95264	3.1
173.09705	0.5
173.13232	1.0
175.11244	0.6
179.08585	0.4
180.95726	5.7
181.10146	0.7
181.12253	1.3
183.11737	1.0
184.12350	0.6
185.13264	1.0
187.14810	0.7
189.12843	0.7
190.96315	1.4
193.10158	0.8
194.10904	0.7
195.11732	1.5
196.12511	0.5
197.13283	1.7
198.96797	12.9
199.14828	1.0
207.11742	0.9
208.12613	0.4
209.13290	1.3
210.96858	1.1
211.14865	1.1
215.14331	1.1
216.97879	6.3
219.11714	0.8
221.13295	0.7
221.15379	1.7
221.98409	1.1
222.15791	0.4
223.14856	0.8
228.97833	2.0
233.13374	0.5
233.15356	2.0
235.14827	0.7
237.16496	0.4
239.99384	0.5
240.09947	0.8
249.16451	0.7
254.99409	0.9
255.17505	1.7
282.04163	0.9
299.20389	0.4
300.05045	0.4
314.06650	0.6
319.19455	8.9
337.20514	12.0
337.24716	0.7
338.20776	0.7
360.21997	2.0
365.24973	0.4
383.25958	0.5
443.18488	0.5
473.19781	3.9
484.19394	0.4
499.21216	2.7
502.26184	6.8
558.28766	12.6
559.29065	0.9
600.41309	0.5
618.31018	10.9
618.41724	2.1
619.31549	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48954	4.7
53.03954	4.0
55.05513	39.1
57.07077	15.6
65.03939	8.9
65.65808	4.0
67.05510	34.9
69.03421	11.4
69.07068	22.4
69.46120	20.3
71.05004	9.5
71.08649	6.1
79.05505	31.0
81.07057	42.0
83.04985	17.9
83.08620	54.1
85.06547	10.7
89.06023	20.7
90.06403	4.6
91.05479	53.0
92.05830	5.3
93.07046	58.8
95.04969	30.1
95.08598	29.6
97.06530	21.5
98.22732	9.6
99.04467	6.5
104.10744	7.0
105.04578	5.1
105.07036	100.0
106.07355	7.0
107.04960	7.1
107.08600	70.2
109.06516	22.5
109.09512	4.2
109.10154	25.8
111.08077	6.3
113.09662	11.3
115.05422	5.8
117.07020	17.9
119.08592	74.1
121.06542	17.9
121.10152	51.1
123.08085	17.5
123.11668	9.5
125.09667	17.7
128.06238	15.4
129.07018	20.8
130.07707	4.5
131.08577	47.9
132.09296	4.6
133.08606	7.8
133.10126	41.7
134.09006	5.1
135.08084	10.7
135.11722	14.5
137.09662	8.9
139.11179	14.1
141.07025	12.2
142.07796	26.5
143.08583	40.1
144.09337	10.7
145.06493	9.3
145.10123	65.5
147.08054	13.9
147.11703	19.3
149.09612	14.1
149.13290	5.5
151.07611	5.1
155.08594	18.6
155.10603	9.0
156.09338	16.1
157.10141	63.1
158.10884	11.8
159.08067	12.8
159.11670	31.3
160.08940	10.4
161.09630	12.1
163.11212	8.0
165.07008	4.7
165.09113	10.0
167.08614	9.3
167.10728	19.0
168.09370	9.0
169.10126	33.9
171.11641	37.4
173.09641	9.7
173.13275	16.4
175.11189	17.4
175.14902	5.1
178.07843	5.1
179.08598	14.0
180.09256	6.4
181.10103	16.8
181.12260	18.6
182.10905	13.5
183.11739	32.4
185.13271	19.0
187.11272	6.9
187.14882	7.6
189.12773	8.9
191.14374	10.0
193.10176	16.2
194.10893	6.6
195.11703	20.7
196.12495	10.3
197.13289	35.1
199.11270	5.5
199.14844	15.7
203.14325	8.3
206.10921	5.2
207.11690	14.4
208.12489	8.0
209.13290	21.6
209.15161	5.5
210.13918	9.1
211.14854	15.0
215.14357	19.3
217.15851	5.6
221.13211	9.4
221.15384	35.5
222.15796	7.0
223.14909	13.0
225.12856	5.9
225.14671	8.1
225.16576	10.5
227.14339	6.3
233.13158	10.2
233.15393	36.5
235.14850	11.2
237.16483	9.0
239.17928	5.6
247.17149	7.1
249.16531	5.9
251.18108	8.2
253.15791	5.5
255.17368	26.2
259.14774	9.6
261.16367	5.9
265.19583	10.8
270.19836	6.6
281.18939	6.2
282.19919	6.1
283.20563	6.3
286.19229	8.7
287.19952	11.1
337.25269	8.2
365.24820	7.7
383.25806	16.4
582.40662	5.1
600.41138	6.4
618.42627	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35112	1.5
69.17704	2.3
69.18105	7.9
107.81425	1.5
137.05994	5.4
167.07089	6.0
173.06021	1.7
181.04939	1.8
203.05389	1.8
209.97287	1.6
237.15074	1.6
333.00946	1.6
367.08441	1.8
404.41034	1.6
447.05441	1.8
449.14108	12.5
457.20462	2.9
587.17407	2.4
619.18347	100.0
619.27222	28.8
620.18433	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33959	2.4
55.53691	2.4
58.19008	2.4
59.72256	2.1
70.06606	7.3
81.45383	2.5
98.15327	2.2
98.23513	4.9
120.08155	2.3
137.06020	4.3
177.05380	3.6
202.25955	2.3
203.03165	8.3
205.04716	2.7
217.04797	6.8
225.30894	2.2
231.06454	3.0
232.07062	65.2
232.09238	3.8
233.07802	5.4
247.05838	16.2
305.08078	3.1
393.11697	7.6
409.10886	11.9
410.11642	4.6
457.14709	81.6
457.21063	4.2
458.15155	3.0
619.20044	100.0
620.20148	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	619.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90675	0.8
55.23686	0.9
56.96578	1.8
88.31645	0.9
98.97610	1.7
107.39702	0.9
116.98605	0.9
129.10222	0.9
132.39253	0.9
137.06004	2.1
147.04420	1.3
161.05992	2.1
177.05478	1.2
185.04248	1.4
205.04848	1.3
237.46928	0.9
270.04050	1.2
287.02811	1.9
324.69669	0.9
356.04974	1.7
366.98691	1.4
367.10040	1.9
374.05634	1.0
409.12558	2.6
439.13821	2.9
508.96146	0.9
517.17053	1.0
559.19464	6.8
571.17828	2.1
587.18488	1.3
596.14624	2.1
601.18848	21.6
602.19073	1.2
619.19934	100.0
619.27515	3.8
620.20380	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
66.20387	0.6
67.14075	0.6
69.48009	1.1
69.48404	1.4
83.01150	0.5
86.09694	0.5
95.01093	1.1
98.23478	1.1
109.48420	0.6
112.01420	0.7
113.02128	1.2
127.02886	0.5
133.06503	0.8
161.06038	1.4
184.04979	8.2
185.04189	2.4
185.05798	5.4
201.03737	2.2
201.05327	1.4
215.06784	23.0
216.07440	0.7
217.04788	1.4
227.06793	0.8
231.06297	1.0
232.06927	0.8
233.07828	0.8
360.26526	0.6
365.12201	0.9
379.10144	2.4
393.11832	0.9
394.12329	20.5
395.13113	7.8
409.11847	1.4
439.13947	1.0
457.14813	0.8
465.13995	1.1
588.17334	0.9
589.18884	2.3
619.19989	100.0
620.20264	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	619.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.45424	1.7
64.56652	1.5
67.05497	1.7
69.59325	6.3
122.86170	1.7
149.02342	16.7
150.02673	6.4
193.04959	23.8
194.05289	7.6
237.07489	5.5
238.07788	3.0
261.96451	1.5
341.06567	1.8
342.06723	4.4
353.08191	1.8
359.07452	2.9
360.07916	3.3
385.09024	4.7
386.09625	8.6
429.11792	17.0
430.12128	31.8
459.84750	1.6
472.17279	2.8
559.21820	2.0
619.22388	100.0
620.22833	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	619.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01853	0.8
55.02156	0.8
57.03439	1.2
61.02929	1.7
69.03439	8.3
70.06581	1.7
70.15076	0.8
70.66746	0.8
72.34996	0.8
73.02896	0.8
81.03438	2.5
81.04596	0.7
85.02906	22.7
86.09704	1.2
87.04459	1.3
95.04977	0.9
96.57180	0.7
97.02904	5.0
99.04435	1.1
105.86300	0.9
109.02903	2.8
119.05022	0.8
122.03671	1.7
127.03946	2.9
129.10281	1.2
133.06592	1.1
137.05974	41.1
145.04956	2.2
147.04446	1.1
150.06755	1.0
151.03941	3.0
158.03693	1.4
160.46222	0.9
161.05917	5.2
173.06023	3.6
185.06059	1.1
185.44902	0.8
186.03043	1.9
189.05434	1.5
189.07008	1.4
192.67023	0.8
201.05460	37.6
202.05704	1.2
205.06549	2.4
206.07246	2.2
213.05484	5.7
214.06262	1.0
217.06476	1.5
218.07307	2.5
219.08133	0.9
222.06859	1.0
231.06369	4.7
233.06036	3.0
234.06743	11.6
235.07446	4.2
237.09244	1.5
245.06061	2.4
246.06779	1.5
247.07584	1.1
249.05431	1.0
249.09174	6.2
250.06265	2.1
251.07057	2.2
259.07703	2.4
261.05481	1.9
262.06235	16.4
263.07074	3.7
264.08023	0.9
265.08667	4.6
266.09454	0.9
273.05527	3.4
274.06293	2.4
275.07236	1.3
276.07825	2.1
277.08569	19.8
278.05927	1.1
278.09183	1.8
279.06586	2.6
287.07141	2.0
289.05103	0.9
290.05722	27.4
291.06470	1.0
291.10336	1.7
292.07422	2.5
293.08063	4.8
294.08899	3.1
295.09689	2.9
297.11026	1.2
304.07352	2.7
305.08047	53.2
306.08658	3.2
307.06137	1.9
307.09656	5.0
309.11343	2.5
319.09531	4.7
322.08484	4.3
325.10675	22.1
337.10687	100.0
338.10956	4.9
355.11743	61.2
356.12161	3.6
427.22433	1.8
439.22406	1.0
457.23203	4.5
619.28607	51.3
620.28918	3.4
633.76184	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75846	1.0
57.03442	1.5
61.02923	1.9
69.03433	8.3
70.06592	1.2
70.32564	2.1
70.32904	1.4
71.04988	1.5
73.02929	1.6
81.03445	1.8
84.04510	1.1
84.08152	2.2
85.02915	17.9
86.09689	5.7
94.04199	1.7
97.02898	6.1
99.04432	2.0
103.12335	1.4
109.02886	3.1
117.22272	1.2
118.63593	1.0
122.03620	2.2
127.03931	2.8
137.05981	44.6
145.06537	1.5
149.05989	1.8
151.03961	3.4
158.03662	1.2
161.05991	6.5
162.06754	1.4
167.07027	5.6
173.05974	2.7
185.05962	1.8
186.03168	2.3
189.05443	2.6
189.07031	2.4
201.05463	46.9
205.06563	4.0
206.07246	1.9
213.05530	6.9
217.06502	1.6
218.07219	1.4
222.06796	1.6
231.06554	3.7
233.05998	5.6
234.06741	16.0
235.07590	4.5
237.09109	3.3
245.06093	4.3
247.07756	2.6
248.08449	2.1
249.05717	1.1
249.09006	5.6
250.06316	4.5
251.07066	2.6
255.42755	1.1
259.07690	2.4
261.05603	3.1
262.06244	19.3
262.08847	1.4
263.07065	5.0
264.07837	2.1
265.08585	10.9
266.09311	3.8
273.05505	5.4
274.06418	2.8
275.07254	1.6
276.07932	3.5
277.08585	23.9
278.05948	2.6
278.08978	1.3
279.06531	3.2
287.07159	3.5
289.05127	1.5
290.05719	29.3
291.06522	3.4
291.10202	1.7
292.07321	6.2
293.07993	13.5
293.10513	1.1
294.08951	5.2
295.09680	5.2
297.11304	1.3
304.07388	3.5
305.08084	62.2
306.08472	2.6
306.62344	1.2
307.06320	1.8
307.09616	16.9
308.10031	1.8
309.11346	3.9
319.09589	8.5
322.08420	5.1
325.10696	35.2
329.90646	1.2
337.10690	72.4
338.11188	3.5
355.11755	24.1
427.22290	36.7
428.22476	2.1
439.22318	3.9
453.14746	1.7
453.78397	1.2
457.23468	17.0
523.85376	1.3
553.25195	2.4
557.35974	1.3
579.13409	1.3
589.27527	18.6
619.28571	100.0
620.28839	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	620.324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.4
56.05022	1.4
56.96565	2.7
57.07076	0.4
58.06587	0.7
60.08163	6.6
60.41794	0.3
67.05508	0.6
69.07066	0.6
70.06562	0.4
71.07370	4.9
72.08129	0.8
81.07046	0.7
83.08616	0.4
86.09702	18.8
95.08571	0.6
98.23468	1.5
102.92632	1.0
104.10740	100.0
105.11069	1.2
118.92065	0.9
124.99999	1.7
126.16270	0.3
136.93102	3.3
139.40987	0.4
154.94164	6.4
162.19499	0.4
162.93445	0.5
162.94614	2.1
172.95238	6.3
176.26134	0.4
180.95737	10.9
182.34892	0.4
184.07378	1.3
190.96228	1.6
192.95697	0.4
195.96869	0.5
198.96791	27.0
203.97250	0.7
210.96735	2.3
216.97853	13.7
221.98370	3.4
228.97896	3.5
236.98282	0.6
239.99484	1.2
240.03064	0.4
240.09915	2.0
251.99500	0.4
254.99400	1.7
258.03998	0.4
273.00455	0.5
282.04269	0.7
296.05905	0.4
300.05243	0.9
314.06717	0.5
321.20966	4.3
339.17975	0.7
339.22067	12.4
340.22830	0.4
357.23221	1.1
362.23578	1.8
419.18570	0.4
441.21021	0.6
445.20480	1.7
457.20181	1.1
475.21375	5.0
498.22696	0.4
501.22858	4.8
504.27585	9.6
505.28442	0.6
508.75745	0.4
560.30231	12.4
561.30499	0.9
576.12494	0.4
620.32300	18.9
621.32727	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51841	2.0
55.05524	3.7
57.07080	66.8
58.98619	2.9
59.80047	2.0
61.27563	1.9
61.85363	2.1
63.81696	2.0
69.13549	14.8
71.08643	2.5
86.09704	3.9
87.04479	19.2
89.06036	100.0
90.13124	2.3
91.05484	8.7
93.07063	6.4
95.04950	2.9
95.26839	2.3
104.10764	22.3
105.04574	2.6
105.07061	3.5
107.08636	3.9
119.08614	5.9
121.06513	26.7
131.07033	6.0
133.08611	60.1
133.09560	3.9
135.08104	5.5
135.11731	2.7
145.10066	2.7
147.08057	13.7
149.09563	3.2
150.06783	2.6
159.11758	3.3
165.09114	12.8
170.87021	2.3
177.11269	24.3
177.12669	4.3
191.10735	3.3
193.12279	2.7
209.11780	4.8
211.13261	4.7
221.13890	6.0
233.18993	22.9
259.20551	5.1
277.21646	32.8
286.14728	2.6
303.23157	3.8
321.24359	11.0
324.95435	2.7
380.32196	3.2
491.28552	10.3
535.29974	3.7
603.40997	28.1
604.41772	3.3
620.43579	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	621.1947
Annotation	Dahuribirin G
Peak:m/z	Relative Intensity
51.64099	1.0
53.26772	0.9
58.67428	1.0
63.42342	1.2
65.32623	1.0
69.45842	1.2
69.46115	5.0
88.85953	1.1
99.89933	1.0
148.02142	1.2
205.04526	1.9
459.18985	14.8
478.60074	1.3
589.18073	1.3
621.18732	100.0
622.18939	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61676	0.6
57.41642	0.5
69.29056	3.5
81.35551	0.6
118.95255	0.6
137.06055	0.7
145.88524	0.6
185.04288	0.7
256.40411	0.7
362.60342	0.6
376.22186	1.0
377.20593	1.1
451.15430	0.8
457.31650	0.7
492.35275	11.0
493.35437	5.2
511.65823	0.7
589.19519	1.1
620.39917	100.0
621.19611	53.1
621.40198	63.0
622.19470	3.1
622.40692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74981	0.3
69.16669	0.2
69.50446	0.5
69.50841	0.6
70.06607	0.3
153.46510	0.3
153.75871	0.3
157.73070	0.2
159.75183	0.3
167.07088	0.4
181.04944	4.3
181.06403	0.3
201.25706	0.3
203.05336	0.6
205.04738	2.6
223.37250	0.3
235.53792	0.2
252.08727	0.5
293.10052	0.5
307.11636	0.8
329.11649	0.9
423.10330	0.3
441.15872	0.3
444.46014	0.3
459.19000	0.7
491.16479	0.3
603.21002	0.3
616.27094	0.3
621.21515	100.0
622.21710	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	621.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06580	0.8
101.87177	0.6
104.80530	0.6
154.36034	0.7
185.04250	1.2
202.05859	0.6
203.05186	0.8
205.04756	8.9
205.06555	0.9
217.04796	2.3
218.05518	2.7
219.06305	1.9
221.78786	0.6
232.04765	1.0
232.07066	19.8
232.09271	1.0
233.07718	3.2
249.07358	3.7
381.11642	8.3
393.11444	0.8
395.13162	11.0
459.16342	7.4
518.13318	0.7
621.21515	100.0
622.21539	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	621.2711
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
57.20978	0.3
66.54926	0.2
69.07071	0.3
69.74210	0.4
69.74537	0.4
86.22971	0.2
94.39181	0.3
104.10746	0.9
105.11146	0.3
116.85390	0.2
183.09193	0.3
202.16106	0.3
232.07646	0.2
283.01990	1.2
324.14886	0.4
336.14896	0.3
359.63452	0.3
374.15619	0.5
375.16220	1.0
376.17929	0.5
387.16205	0.6
388.16943	1.5
389.17477	2.8
390.18402	1.0
391.19302	1.0
401.17752	0.9
402.14185	0.4
402.18655	1.2
403.19424	4.8
404.19992	2.0
405.20718	2.8
415.19263	1.0
416.15366	1.3
416.20706	0.7
417.16199	4.8
417.21222	2.5
418.17606	1.0
418.22488	1.3
419.22406	7.3
420.22858	0.9
429.16794	0.5
430.17188	0.7
430.21768	0.8
431.18204	7.2
431.23737	0.4
432.18866	3.2
433.20032	2.9
442.17480	0.3
443.18713	0.6
444.19513	0.7
445.20169	5.7
446.21033	6.2
447.21759	8.3
448.22208	0.8
459.22842	2.4
460.22504	0.8
461.19177	1.4
462.20953	0.4
463.21027	0.3
473.19537	1.0
473.23837	1.0
474.20233	5.4
475.21304	7.1
476.21658	0.6
477.22882	0.4
478.23724	0.5
487.21445	2.7
488.22113	0.7
491.20261	1.3
501.23291	1.6
502.23975	0.5
505.21829	0.4
505.26895	0.5
506.23288	0.6
518.23065	0.6
519.20117	0.4
529.22461	0.3
533.25562	14.0
534.25970	1.3
546.22522	0.5
561.24982	19.7
562.25525	1.8
589.24316	0.9
593.27832	2.5
594.28003	0.6
621.27051	100.0
622.27405	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	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
56.05571	0.4
57.02397	0.4
69.53362	0.4
71.36289	0.5
73.70420	0.5
78.62745	0.5
113.01166	0.5
135.72728	0.5
152.22122	0.4
179.26244	0.5
197.10796	0.5
297.10257	0.5
368.67773	0.5
374.15271	0.6
375.16147	1.3
376.17654	0.6
386.16690	0.6
387.16238	1.3
388.16891	1.6
389.17615	4.7
390.18542	1.4
391.19373	1.5
401.18060	1.1
402.14114	0.9
402.19128	2.4
403.15094	0.8
403.19443	6.3
404.19955	4.2
405.20761	4.1
406.21741	0.6
413.17062	0.5
415.14935	0.8
415.19492	1.3
416.16116	1.9
416.20645	1.2
417.17038	5.1
417.21143	3.5
418.21542	1.7
419.17194	0.6
419.22415	11.5
420.22974	1.6
429.16574	0.7
430.17688	1.4
431.18091	10.0
431.23715	1.0
432.18933	3.7
432.24530	0.7
433.20145	4.3
443.18475	1.0
444.19595	0.9
445.20108	9.4
446.15494	0.9
446.21054	10.5
447.21796	13.5
448.22467	1.5
458.21237	1.0
459.21942	3.3
460.18411	0.8
461.19815	1.6
473.19852	2.3
474.20389	7.4
475.21313	10.3
476.21762	0.6
478.23602	1.0
487.21326	4.5
488.22223	1.6
491.20932	1.8
501.23059	2.6
505.25754	2.1
517.22522	0.6
518.23322	1.1
519.20477	1.2
529.22687	0.6
529.96014	0.6
533.25525	21.4
534.25922	1.1
546.23126	0.6
561.24982	28.8
562.25635	1.4
565.27386	0.6
589.24683	0.6
593.27588	4.3
594.28766	0.6
621.27063	100.0
622.27515	8.6
646.77521	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02587	0.3
58.15893	0.3
62.79045	0.3
63.32037	0.3
66.90761	0.3
70.08630	0.3
92.59953	0.3
97.64690	0.3
113.75481	0.3
172.38571	0.3
205.02957	0.3
221.10811	0.4
255.82701	0.3
374.15631	0.4
375.16077	0.7
387.16306	0.9
388.17047	1.3
389.17636	3.0
390.18225	1.4
391.19290	0.6
398.84412	0.4
401.17651	1.2
402.18637	1.5
403.19446	4.7
404.19849	2.4
405.20605	1.8
415.19415	1.1
416.15826	0.9
416.20578	0.8
417.16916	2.7
417.20920	3.0
418.17334	0.7
418.22232	0.6
419.22385	6.0
420.22855	0.8
429.21362	0.6
430.17746	1.1
431.18036	6.3
431.23697	0.5
432.18918	2.4
433.19977	1.7
443.18649	1.0
444.19342	0.8
445.20285	5.2
445.24942	0.4
446.20935	3.1
447.21808	6.7
459.17435	1.2
459.22119	1.7
460.18491	0.5
461.19711	0.5
473.19312	0.6
473.24228	0.5
474.20386	5.8
475.21240	8.3
476.22171	0.7
487.21497	2.2
488.21811	0.8
501.22800	1.4
502.22906	0.5
505.26053	0.7
533.25476	5.9
546.22858	0.5
561.24963	51.4
562.25366	4.9
589.24835	1.7
593.27283	2.6
621.27032	100.0
622.27350	10.8
622.51971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.88065	0.6
60.19309	0.5
71.15011	0.5
98.24075	0.5
107.87025	0.4
118.98333	0.5
280.23898	0.6
372.89374	0.5
388.16647	0.6
389.17554	1.1
396.67847	0.6
401.18118	0.8
402.18634	0.7
403.19263	1.2
417.21124	0.9
419.22299	2.3
431.18671	1.9
432.19327	0.7
445.20358	2.0
446.20956	2.1
447.21735	3.9
448.22116	0.9
459.18021	0.9
460.18900	0.8
461.19580	0.8
473.23651	0.6
474.20377	5.1
475.21298	8.3
476.21561	0.8
487.21307	2.0
501.22980	2.1
502.23734	0.7
533.25470	7.4
561.24957	22.0
562.25879	2.5
589.24426	1.2
593.27612	1.2
621.27026	100.0
622.27411	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	622.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53979	0.7
55.05511	1.4
56.05044	0.9
57.03442	0.8
58.06595	1.4
58.59735	0.6
60.08169	5.1
67.05507	6.0
69.07076	1.7
69.73653	1.6
69.74036	1.3
71.07368	4.9
71.07664	0.5
79.05501	3.1
81.07056	3.9
83.08643	1.5
86.09715	31.0
89.79536	0.7
91.05480	1.4
93.07045	3.3
95.05004	0.6
95.08633	3.8
104.10748	100.0
105.07104	0.7
105.11089	2.2
107.08603	1.3
109.10177	1.8
119.08598	1.1
121.10154	0.7
124.93798	1.3
131.08606	1.1
135.11713	0.9
146.98184	17.2
176.99261	1.2
184.07318	1.2
198.97438	1.6
203.00827	13.0
203.02599	1.2
206.05527	2.3
262.08194	11.9
287.48853	0.7
306.05582	0.7
335.25674	2.6
344.07358	0.8
357.24216	1.0
437.20993	1.6
459.18887	33.1
460.18906	1.6
481.16342	1.5
481.23288	31.4
481.34164	1.2
482.23508	1.6
506.25061	1.1
519.19647	2.5
540.30646	58.3
541.30865	2.7
562.27496	1.2
622.29755	7.9
622.39026	1.4
623.29364	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
54.85395	1.0
55.05513	5.1
56.05031	1.9
57.03440	5.1
57.07082	1.0
60.42399	1.1
67.05507	21.6
69.07074	6.0
71.04977	1.4
71.07368	8.2
71.46484	1.0
79.05502	13.2
80.70071	1.1
81.07063	21.8
82.07387	1.3
83.08640	2.8
86.09709	48.9
91.05495	5.3
93.07056	12.0
95.04978	1.8
95.08615	17.0
97.06516	1.2
104.10745	13.3
105.07030	2.9
105.11098	1.8
107.08593	4.9
109.10176	6.1
109.10796	1.0
117.07023	1.7
119.08595	2.2
121.10126	6.2
123.11717	1.3
124.36835	1.2
125.00024	1.2
133.10085	2.0
135.11674	2.2
146.98184	63.7
147.11740	1.7
149.13190	1.4
161.13155	1.6
163.14813	1.2
164.99216	1.3
184.07349	1.5
203.00815	12.2
206.05518	1.4
210.14568	1.0
262.08151	9.3
292.69891	1.0
335.25793	11.9
357.24158	3.4
459.18799	6.2
481.23279	52.9
482.23627	2.3
540.30640	100.0
541.30963	6.2
622.06897	1.3
622.29657	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	623.1891
Annotation	DIOONFLAVONE
Peak:m/z	Relative Intensity
69.89834	16.9
81.76804	6.6
86.09658	7.0
88.15590	5.4
90.18216	5.6
94.52947	5.2
111.75812	6.6
118.74268	5.5
135.72693	8.0
181.55956	6.0
183.26479	6.9
184.07417	9.3
378.15262	5.8
396.68665	6.0
623.18903	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68954	0.3
67.05484	0.4
70.64285	0.6
81.07076	0.7
86.09714	0.3
93.07034	0.3
95.08605	0.5
102.52479	0.3
105.06995	0.4
107.08588	0.3
111.01533	0.3
123.22140	0.3
127.23146	0.3
178.35728	0.3
183.09106	0.4
184.07359	0.7
207.09236	0.4
209.10753	0.5
220.09888	0.5
223.12495	0.9
224.13036	0.3
225.10393	0.3
272.12091	0.3
272.88046	0.3
273.13428	0.4
298.13629	0.5
324.15283	0.3
328.14468	0.5
362.16104	0.4
363.16235	0.5
374.16827	0.3
375.17242	0.7
376.17221	0.7
377.17548	1.4
378.18411	0.9
380.54599	0.4
387.16339	1.0
389.17950	0.5
390.18823	1.0
391.19458	2.6
392.19952	2.0
393.20798	1.8
399.16534	0.8
400.16913	1.0
401.17700	2.8
402.18457	0.9
403.19589	0.7
404.16025	0.5
405.16510	0.8
405.21472	1.9
406.21658	0.5
407.22305	3.3
408.22931	0.5
411.16083	0.4
413.17752	1.1
414.18677	1.8
415.19385	3.4
416.20319	0.9
417.17065	1.0
417.21445	0.8
418.18173	0.6
419.18411	1.6
419.23169	0.7
420.19220	0.6
421.20352	1.2
425.18063	0.4
427.19446	1.1
428.20163	1.3
429.16196	0.5
429.20868	1.2
430.21567	1.1
431.18649	1.5
433.16376	1.0
433.20941	1.0
434.21027	0.5
435.21893	1.5
436.22391	0.7
441.17239	1.0
442.17581	0.5
443.22388	1.8
444.19568	2.0
445.20688	1.6
446.21439	1.4
447.17560	3.1
448.18579	1.8
449.19778	0.6
455.18634	0.6
456.19800	0.5
457.15854	0.5
457.20673	1.1
458.21472	1.5
459.17825	1.9
460.19000	1.0
461.19189	3.3
462.20490	2.0
463.20428	1.8
468.19727	0.4
469.16675	0.7
470.17380	0.5
471.22687	3.9
472.19006	1.3
472.23853	0.4
473.19244	3.1
474.20432	2.9
475.17389	1.3
475.21802	1.4
476.17892	0.6
477.18997	0.4
483.22867	0.4
484.19150	0.7
485.19894	1.9
486.20447	2.0
487.21719	0.6
488.22446	0.4
489.18668	1.8
489.23007	3.7
490.19357	4.2
491.20355	3.6
492.21265	0.6
493.22098	0.6
499.21384	8.9
500.18524	1.2
500.22076	1.1
501.23633	3.4
502.19995	0.9
503.20755	3.2
507.23776	1.2
508.24631	0.9
511.21643	0.8
513.19257	3.5
514.20020	1.3
516.21771	0.9
517.22418	12.4
518.23138	3.0
519.20654	0.4
521.21729	0.4
527.21027	2.1
529.22375	5.8
530.22205	1.0
531.20166	2.1
532.21094	0.8
535.23529	3.4
536.23999	1.6
545.21826	21.0
546.22125	2.7
547.23364	0.5
555.20355	1.3
563.22766	2.5
564.23358	2.7
573.21375	6.8
574.21692	0.5
577.24451	2.4
591.22491	2.8
595.25537	0.8
605.23938	33.8
606.24390	3.9
623.24994	100.0
624.25348	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	623.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.1
57.04249	0.8
67.05487	1.6
69.07043	0.8
79.05469	2.2
81.07039	2.7
91.05430	1.8
93.07009	1.3
95.08583	1.8
98.22629	1.9
105.07022	1.2
117.06938	0.9
118.89754	0.8
119.08565	0.9
120.13126	0.7
121.10129	1.0
131.08554	1.3
137.68875	0.7
143.08578	0.9
145.10124	1.0
173.13371	0.9
186.43756	0.8
188.55746	0.7
209.10699	0.8
210.11557	0.9
221.10814	0.9
235.12296	0.9
271.11978	0.9
275.20081	1.1
362.15518	1.4
375.16409	0.9
376.16962	1.1
377.17380	1.8
378.18466	1.4
379.19495	1.0
387.15793	1.4
388.17899	1.4
389.18076	1.8
390.18848	1.5
391.19418	4.4
392.19711	2.8
393.20459	2.3
399.16058	1.5
400.17084	1.2
401.17627	5.3
402.18182	1.6
403.19357	1.9
404.20044	1.0
405.16330	1.5
405.20599	2.5
407.22403	5.4
413.17593	1.5
414.18210	2.9
415.19345	6.4
416.19632	3.5
417.20596	2.8
419.18494	2.9
421.20114	2.4
427.18961	2.2
428.19727	3.2
429.21567	4.5
430.21204	2.6
431.22391	2.2
433.15897	1.7
433.23883	2.5
434.20865	1.0
435.21518	3.2
441.16705	2.2
442.17551	0.9
443.18082	3.0
443.22824	2.1
444.18674	3.9
445.20007	3.3
447.17221	5.6
448.18637	1.1
449.19272	1.6
456.19666	1.4
457.19891	3.3
458.20468	2.8
460.18234	1.0
461.19193	3.9
462.20068	3.6
463.20377	3.6
464.21970	0.9
469.16275	0.9
470.17325	1.3
471.22330	8.4
472.17987	1.7
472.23230	1.5
473.18750	4.4
474.20142	2.5
475.20923	5.0
477.23285	5.4
484.18533	1.5
485.19403	2.5
486.20178	4.7
487.24634	2.6
489.22382	6.9
490.19879	3.4
491.19476	1.7
491.25293	1.1
499.21329	19.9
500.18756	2.4
500.20023	2.4
501.23288	6.3
503.20648	3.9
507.23380	2.2
511.20886	1.5
513.18872	1.8
514.20044	1.8
516.21716	1.1
517.22504	13.4
518.22455	2.1
527.20178	2.9
529.22272	10.8
530.21631	1.1
535.23358	4.8
536.23816	1.6
545.21722	44.4
546.21942	4.9
547.27332	4.4
549.25165	3.5
550.25836	5.4
555.20135	2.1
563.23016	2.4
564.24036	1.0
573.13800	1.2
573.21436	12.9
577.24414	0.9
579.29144	3.4
591.26550	3.7
595.25281	1.1
605.23859	86.7
606.24200	8.9
623.24908	100.0
623.42389	3.6
624.25189	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	623.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
65.29709	0.3
66.78296	0.3
67.48001	0.3
71.21905	0.5
124.39075	0.3
125.88432	0.4
144.81572	0.3
169.02669	0.6
171.11203	0.4
315.16870	0.9
385.38596	0.4
412.26239	0.4
461.20465	63.0
462.20700	5.8
503.21240	0.4
623.25702	100.0
624.26031	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	623.258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02503	0.3
57.52745	0.2
59.29555	0.3
63.77524	0.3
69.29916	1.3
69.42370	0.3
70.06546	0.4
84.08074	0.3
86.09673	0.5
95.54080	0.2
98.23401	0.7
132.03783	0.3
147.04311	0.4
168.79811	0.3
169.02605	0.4
189.36508	0.3
209.91438	0.3
315.16724	1.3
331.07895	0.6
345.70468	0.3
352.03027	0.3
353.13596	0.3
438.02527	0.4
461.20459	62.1
462.20847	4.8
503.20743	0.3
551.60022	0.3
623.25714	100.0
624.26038	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	623.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97805	0.3
70.73824	0.6
89.49242	0.4
128.39014	0.3
133.38617	0.3
188.10262	0.3
224.13222	0.5
237.13960	0.8
251.07811	0.3
336.14923	0.4
377.17746	1.3
378.18210	0.5
378.83124	0.4
389.18121	0.5
390.18677	0.8
391.19394	1.8
392.19958	1.9
393.20721	1.1
398.15137	0.4
400.17032	0.8
401.17841	0.7
403.19601	0.9
404.20343	1.0
405.20972	2.6
406.21497	3.0
407.22284	6.8
408.22711	0.9
413.17822	0.9
414.18375	1.0
415.19250	1.4
417.21191	0.7
419.22513	1.5
420.23190	1.1
421.23932	8.2
422.24829	1.9
426.18774	0.4
427.19235	0.7
428.20306	1.0
429.20923	3.5
430.21567	1.0
431.18488	0.7
432.19315	0.5
433.19769	1.0
433.24384	1.2
434.25385	0.4
442.21805	0.5
443.22745	2.7
444.23154	1.8
445.20264	1.5
447.17593	0.7
448.18997	0.6
449.23373	0.6
456.19458	0.6
457.23990	1.3
458.25244	1.6
459.21896	2.4
460.22479	1.3
461.18967	3.0
462.20682	1.1
463.21078	0.7
471.22195	0.4
472.22845	2.2
473.19464	0.9
474.20544	0.6
475.21240	4.5
476.21829	3.5
477.22571	3.2
478.23547	0.7
484.19250	0.9
485.23633	4.5
486.20322	1.2
486.24655	1.1
487.20563	0.7
488.22055	1.3
489.23029	2.7
491.24408	0.6
497.23315	0.5
499.21240	4.1
500.21844	1.0
502.23822	0.6
503.24567	7.0
504.24756	1.0
505.22452	1.0
507.24118	0.6
508.27921	0.6
513.22986	1.3
514.23334	0.7
515.24945	1.6
517.23322	1.8
517.25818	2.0
521.25293	0.8
529.25635	0.7
531.24188	0.6
535.27197	5.9
545.25488	22.4
546.25989	1.8
549.25208	0.6
563.26440	1.0
564.27264	1.7
573.24951	6.7
574.25232	0.7
577.28339	1.6
591.26251	2.0
605.17877	0.8
605.27643	14.2
606.27649	1.3
623.28638	100.0
624.28876	9.6
624.39270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.286
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
78.72608	0.4
83.66955	0.5
86.60741	0.4
93.99493	0.4
272.02325	0.5
310.81833	0.5
391.19043	0.8
392.19952	0.5
404.20673	0.7
405.20932	0.7
406.21371	1.0
407.22305	3.9
415.19174	1.1
419.22525	0.6
420.23148	0.9
421.23917	3.4
422.24771	1.2
428.20215	0.6
429.20932	3.3
430.21640	1.3
433.24454	0.8
435.25824	0.6
443.22522	1.5
444.23367	2.2
457.23941	1.5
458.25394	2.2
459.21552	3.6
460.22525	0.8
461.19876	1.3
470.20914	0.6
472.22739	3.2
473.23212	1.2
475.21423	1.8
476.22202	1.6
477.22598	2.1
485.23453	6.9
486.19528	1.0
486.24615	1.3
488.22244	0.9
489.22845	1.2
491.24515	0.5
499.21332	1.9
500.22220	1.5
503.24530	4.1
507.23218	0.9
513.22906	2.2
514.23383	1.3
517.26434	4.3
529.25995	0.9
531.24127	0.8
535.27350	2.6
545.25470	54.7
546.25708	4.4
563.26172	0.9
564.27515	0.9
573.24933	10.6
574.25708	1.0
591.25995	1.4
605.27588	87.6
606.27820	9.0
617.78082	0.5
623.28601	100.0
624.28973	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	623.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29487	1.1
69.21479	6.5
79.05524	1.2
94.94146	1.0
139.56931	1.0
143.02051	1.0
145.06755	1.0
391.19275	1.4
395.43167	1.1
403.19699	1.9
405.20758	5.1
406.21729	1.5
413.17838	1.2
415.19302	3.3
417.21143	1.3
420.23206	2.3
421.23917	3.0
427.19550	1.5
428.19824	1.7
429.20929	3.4
430.21954	2.2
431.18533	1.5
433.20273	3.4
443.22656	1.7
445.20422	3.0
447.18433	3.9
448.22467	2.3
450.21149	1.4
457.24057	3.2
459.21924	4.7
460.22589	4.1
461.19482	14.4
462.20584	1.3
473.19113	1.5
475.21106	2.9
476.21954	11.0
477.22247	1.7
485.23685	10.5
486.20621	3.6
488.21997	2.3
491.20642	1.7
500.22220	2.5
503.24512	10.1
505.21725	1.2
515.24396	9.0
519.02783	1.2
519.23560	1.5
521.25427	10.6
522.25806	1.3
531.23950	18.9
532.24182	1.5
535.23138	1.3
545.25421	2.7
549.25012	15.4
550.25000	1.9
559.23309	7.9
563.25677	4.6
564.25934	2.2
591.26123	39.3
592.26660	2.5
623.28583	100.0
624.28870	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	623.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69873	0.6
69.55274	2.1
89.98927	0.5
104.96823	0.6
120.36510	0.5
136.36240	0.5
158.87160	0.6
166.65616	0.5
215.84543	0.6
255.80362	0.5
389.18970	0.7
392.20633	0.6
403.20068	0.8
404.20505	0.8
405.20624	2.8
406.21268	0.9
415.19336	2.4
416.19977	1.3
417.21048	1.0
420.23343	1.5
421.23987	1.7
427.19159	0.8
428.20663	1.1
429.20923	2.9
430.21814	1.6
431.18387	0.8
433.20129	1.9
433.24930	0.7
442.21692	1.0
443.22348	0.8
444.23276	1.9
445.20117	1.1
447.18484	2.1
448.23138	0.9
456.19614	0.6
457.24045	2.2
459.21451	3.2
460.23044	3.6
461.19604	9.1
472.22983	1.2
473.19781	0.9
475.21381	2.3
476.21967	9.8
477.27066	1.1
485.23553	11.5
486.19995	3.4
487.25540	0.8
488.21878	1.0
489.22763	1.9
497.23911	0.7
499.21173	0.8
500.22479	1.4
503.24374	10.1
505.22272	0.8
513.22827	1.5
515.24530	9.6
516.24536	1.0
521.25555	10.2
531.23926	16.7
532.23956	1.3
535.23224	1.3
541.22589	1.0
545.24988	0.7
549.25000	13.8
549.33313	0.9
550.25415	1.1
559.23450	6.4
560.23810	0.7
563.26514	1.3
564.27002	1.7
591.26019	36.3
592.26538	3.5
623.28638	100.0
624.28888	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
68.44901	0.3
71.22514	0.4
98.23540	0.5
103.82326	0.4
130.76923	0.4
140.79958	0.5
192.17720	0.4
355.33484	0.4
360.36267	0.4
389.17816	0.9
391.19141	1.5
401.18045	0.8
402.18591	0.7
403.19342	1.2
404.20145	1.0
405.20920	1.6
407.22516	0.7
415.19431	1.1
416.20251	0.6
417.20853	1.5
418.21713	0.8
419.17685	0.7
419.22928	2.8
420.23398	0.8
420.44019	0.4
429.16522	0.6
429.21539	0.6
430.18115	1.6
431.18750	2.3
431.23587	0.7
432.19153	0.6
433.20065	4.3
434.20721	0.8
443.18701	1.6
444.18900	2.0
445.19849	4.4
446.21191	2.2
447.21927	4.6
448.22458	1.3
449.23288	0.6
457.20123	0.5
458.20908	5.8
459.21863	3.4
460.22733	3.9
461.18942	0.5
462.20575	0.7
463.21283	1.4
471.21680	0.6
472.22867	0.6
473.23422	1.1
475.21283	1.2
476.21957	1.4
477.23376	1.9
487.25409	0.6
490.23666	0.5
517.21704	1.0
518.23145	4.2
519.23615	0.8
521.22107	1.4
531.23492	0.7
532.25183	0.8
533.25385	6.9
534.25806	0.6
535.27338	1.9
545.25531	2.7
546.26190	1.2
563.26501	5.7
564.26550	0.8
573.25012	0.9
577.27686	0.7
591.25775	0.6
605.27600	9.3
606.28345	0.9
623.28601	100.0
624.28857	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	623.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95567	0.5
55.05511	1.1
57.01250	0.4
67.05518	1.2
69.56705	0.8
69.57086	1.2
79.05499	1.5
81.07062	1.8
83.04993	0.8
91.05492	1.3
93.07058	2.0
95.08649	1.3
105.07029	1.7
107.08612	1.3
108.50253	0.5
109.06527	0.5
109.10172	1.1
109.38229	0.4
114.53734	0.5
117.07043	0.8
119.08611	0.7
121.06527	0.5
121.10209	0.6
129.07039	0.6
131.08603	0.6
131.77794	0.5
133.10165	0.9
140.62962	0.4
141.00772	0.4
141.54669	0.5
145.10118	0.6
147.11755	0.8
185.13306	0.5
218.63983	0.5
275.20203	2.3
389.17685	1.2
390.18387	0.8
400.17096	0.8
401.17761	0.7
402.18222	0.7
403.19293	1.9
404.20343	0.9
405.20731	1.8
415.19604	1.1
416.20126	1.0
417.16898	1.9
417.20944	2.2
418.21704	1.1
419.22501	5.2
429.16785	0.7
430.17749	1.1
431.18689	3.0
431.22952	2.0
432.19327	1.4
433.20340	2.4
435.21982	0.7
443.18460	3.7
444.19266	1.3
445.19992	7.1
446.20895	4.9
447.22427	3.7
449.23392	1.7
457.20282	0.8
459.22052	3.6
461.19867	1.0
462.20627	1.6
463.21295	2.2
473.23761	0.9
475.21585	1.8
476.22238	4.9
477.22897	6.0
478.23074	0.7
489.22897	2.1
491.20224	0.8
503.24225	0.9
505.26761	0.7
508.24799	0.7
517.22766	0.5
521.22034	1.0
533.25568	14.6
545.25574	0.9
563.26587	16.5
564.26917	1.5
591.26196	1.3
593.27344	3.8
605.26752	0.8
623.28638	100.0
624.28778	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	623.2866
Annotation	Cyclotaxinine NN-2
Peak:m/z	Relative Intensity
50.08008	0.7
67.05493	2.0
69.56731	0.9
69.57013	3.5
73.48420	0.7
75.50026	0.7
79.05485	1.1
81.07050	1.8
82.99645	0.7
91.05482	1.4
91.41525	0.7
93.07037	1.3
95.31792	0.7
105.07027	1.0
167.54251	0.9
173.81569	0.7
188.04143	0.8
236.33755	0.7
237.10245	0.7
265.68390	0.8
359.31226	0.7
376.16949	1.0
391.19208	2.1
403.19089	1.0
405.20850	1.8
407.22183	1.1
417.21323	1.5
419.18365	2.5
419.23108	1.5
421.23865	2.7
431.22784	1.4
433.20062	3.8
434.20868	1.5
435.21713	1.3
443.18756	1.3
445.20486	2.9
446.21185	2.3
447.22714	4.9
448.22897	1.1
449.23837	3.8
458.21167	1.1
459.21906	5.4
461.19617	1.9
462.20596	1.1
463.21487	1.3
465.22565	0.9
475.21103	2.1
476.22073	4.8
477.22870	4.3
489.22928	2.8
490.23526	1.1
491.21286	0.9
503.24356	1.0
519.23895	1.7
533.25555	3.4
535.27380	4.8
545.25385	2.2
547.26965	1.8
563.26581	20.1
563.35284	1.0
564.27606	1.5
591.25543	1.4
595.28705	0.8
605.27557	3.2
606.28259	6.4
623.28662	100.0
624.29199	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	623.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30941	2.7
55.05515	13.9
57.07085	5.0
63.44687	2.7
64.26411	3.0
65.03944	5.7
67.05509	26.4
69.07071	32.0
70.49570	5.0
77.03903	4.4
79.05493	59.1
81.07059	86.6
83.08632	15.4
91.05479	35.2
93.07047	36.0
95.04955	9.1
95.08606	59.8
97.06526	17.5
97.10184	7.8
105.04508	2.9
105.06348	5.9
105.07032	79.2
107.04937	9.5
107.08597	41.7
109.06511	8.1
109.10155	33.2
110.13683	2.7
111.11732	5.3
115.25475	2.3
117.07009	8.1
119.08572	53.8
121.10152	26.0
123.11695	15.5
125.05997	82.5
125.13280	2.7
129.06990	5.1
131.08572	50.9
133.06503	5.8
133.10141	37.2
135.11703	13.1
137.05977	8.3
137.13200	4.3
143.08542	11.6
144.09294	3.3
145.10127	68.3
147.08057	7.1
147.11690	27.6
149.13275	9.0
151.07536	6.8
151.14723	2.9
157.10124	13.8
159.08072	3.3
159.11699	29.4
161.09633	23.4
161.13240	16.2
163.11307	2.3
163.14882	6.9
171.11684	13.2
173.09543	3.1
173.13271	43.8
175.11211	17.0
175.14830	48.6
177.09059	2.7
177.16367	14.8
179.10660	6.1
183.11696	4.3
185.13264	7.6
187.14786	20.3
189.12819	2.6
189.16356	4.0
193.12299	5.9
199.14803	20.4
201.12762	4.8
201.16388	25.2
203.14314	19.6
203.17915	6.2
205.15858	3.4
213.16304	7.6
215.17926	4.0
219.13823	12.6
221.15366	17.7
227.17902	16.0
229.19547	10.7
231.21126	3.5
241.19356	3.1
255.21033	4.1
257.22528	5.2
267.21024	3.5
284.36713	2.6
285.22089	40.8
303.23160	5.4
367.42307	2.8
385.30792	2.9
429.74796	2.8
474.85910	2.6
541.44232	17.7
543.01874	2.9
559.45093	100.0
560.44806	9.9
587.44794	13.6
605.45673	21.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45041	0.6
52.47838	0.5
65.68467	0.6
70.19595	1.4
79.05503	1.0
83.24926	0.6
89.03923	8.4
95.04916	0.8
107.04965	2.8
108.07769	0.6
117.03391	9.0
135.04422	19.5
136.06224	1.3
139.05417	0.7
145.02861	13.8
150.05495	1.1
163.03909	100.0
164.04289	3.3
165.07014	1.0
166.36784	0.7
167.05031	1.1
178.24730	0.7
182.09727	0.6
184.84241	0.6
185.05994	1.6
187.53389	0.5
192.08139	1.0
197.05943	0.7
206.07990	1.2
211.07576	2.5
213.05473	11.2
213.07487	0.8
221.06036	3.0
223.03958	0.7
223.07762	0.9
224.07004	1.0
225.05550	0.7
227.07077	1.0
231.06448	1.3
238.08662	4.5
239.07033	3.1
239.09352	1.2
241.04991	9.2
249.05446	1.7
251.05849	1.0
252.06665	1.0
258.07736	0.8
259.06061	1.7
266.08130	9.7
267.06528	2.8
267.09018	0.9
268.09882	0.7
269.04459	25.9
284.09100	2.5
294.07629	14.6
295.04449	34.7
296.04755	1.3
298.09872	0.7
312.08670	7.3
347.52194	0.6
348.79269	0.7
390.08386	2.3
400.11707	1.0
416.09619	2.8
421.76260	0.7
428.11401	4.3
431.07016	0.6
444.09277	16.5
445.09686	1.1
456.10800	1.3
462.10391	0.9
578.12921	7.4
606.12506	22.3
607.12323	2.1
624.13770	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81543	0.4
79.05501	0.9
82.44067	0.3
87.98196	0.3
89.03915	8.2
95.04948	0.9
96.04482	0.4
107.04955	2.6
111.08430	0.3
117.03380	9.3
123.04471	0.8
131.04889	0.5
133.02914	0.4
135.04411	18.8
137.02351	0.7
139.05391	0.8
145.02844	15.0
147.04401	0.8
150.05531	0.6
163.03899	100.0
164.04210	2.0
164.07080	0.4
165.07040	1.0
167.04971	0.8
175.03912	0.4
177.06924	0.5
181.06473	1.0
185.05988	1.5
192.08046	0.9
193.06480	1.1
195.04402	1.1
197.05930	0.7
197.83572	0.4
199.07553	0.8
205.06523	0.9
206.08107	0.4
209.06035	0.4
211.07547	2.5
213.05438	11.0
214.05827	0.4
217.05048	0.5
220.07651	1.0
221.05934	2.8
223.03877	1.0
223.07558	1.2
227.07048	2.2
231.06483	1.6
233.05901	0.5
237.05380	0.7
238.08592	3.0
239.07065	2.5
239.09219	0.7
241.04950	8.8
241.08704	0.5
249.05432	2.9
251.07007	0.6
255.04143	0.4
255.06425	2.3
258.07504	1.0
259.06006	0.7
265.04831	0.4
266.08124	9.4
267.06482	1.9
267.08890	0.8
269.04437	24.2
270.04834	0.6
279.06564	1.0
283.06030	2.6
284.09259	2.6
294.07608	14.5
295.04404	34.6
296.04858	1.6
297.07513	0.7
312.08682	6.5
314.10135	0.9
330.09573	0.4
359.11694	0.5
382.10815	0.5
390.08212	1.2
400.11609	0.6
416.09991	1.0
428.11353	3.6
444.09213	7.9
445.09723	0.6
446.12466	0.6
456.09927	0.7
462.10266	1.4
562.13629	0.7
578.04645	0.6
578.12885	8.5
606.12366	20.0
607.12457	1.3
624.13800	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	624.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.8
55.01872	11.3
55.05505	2.9
67.05500	2.8
69.03420	2.2
69.07070	6.6
71.04993	1.3
71.46018	1.1
77.03931	0.8
79.05479	2.9
81.03426	1.6
81.07072	8.6
83.05009	0.9
83.08605	1.6
85.02898	3.3
85.06525	1.3
87.00831	1.9
87.30182	0.7
91.05471	11.3
93.07040	16.7
95.04968	4.1
95.08629	4.6
97.06549	1.0
100.11262	1.9
103.05465	10.4
105.01826	1.1
105.04520	1.6
105.07031	2.5
106.04166	2.7
107.04945	2.1
107.08613	4.6
109.10147	4.3
111.08084	1.5
111.11716	1.3
112.16289	0.9
113.16108	0.7
117.03365	1.8
118.04176	1.2
119.04894	1.1
119.08586	2.3
121.06511	25.3
121.10150	4.5
122.09711	0.8
123.11707	2.2
127.03875	1.7
131.04939	4.8
131.05821	0.8
131.08508	0.7
133.06534	1.5
134.03635	6.7
135.11652	3.0
139.11214	1.9
140.10765	1.0
145.02834	4.0
145.10144	1.5
147.04437	1.7
147.11743	1.2
148.05190	3.4
148.45293	0.9
149.05978	48.5
149.13264	2.1
150.06271	1.1
153.05470	1.9
153.12801	1.1
157.70203	1.0
159.04404	0.8
161.05992	2.4
163.07529	2.8
163.15031	0.8
166.06244	1.1
167.05676	0.8
167.07024	2.4
173.05995	1.2
176.04739	4.0
177.05466	21.1
180.07808	0.9
180.53436	0.8
181.08600	32.7
182.08965	1.1
182.15454	1.2
187.13185	0.9
191.07040	27.5
193.08563	1.6
208.01854	0.8
209.08089	100.0
210.08403	3.0
223.04250	10.0
225.04230	0.8
230.65398	0.8
233.84006	0.7
239.09442	0.9
251.09152	95.9
252.09537	3.0
274.65680	0.9
287.23801	1.1
293.24741	2.7
305.24759	5.0
311.25818	2.7
312.08786	1.8
323.25763	8.8
341.26752	1.1
411.14389	2.2
443.16992	2.0
547.06073	0.8
604.51093	0.8
624.28223	1.2
625.25781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01869	2.1
57.03433	1.2
61.02914	1.3
67.05513	0.6
68.99799	1.1
69.03426	7.7
69.49233	2.3
73.02923	2.0
79.05500	2.0
81.03419	9.2
81.07067	1.8
84.04510	1.5
85.02908	11.4
86.29029	0.6
87.00816	4.2
87.04509	0.6
91.05466	6.2
94.04185	2.7
95.04961	1.4
95.08549	0.5
97.02887	5.4
97.16758	0.6
99.04458	2.1
103.05460	8.2
104.06250	0.6
105.01861	2.5
105.07042	5.6
107.04956	1.8
107.08616	0.6
109.02881	6.4
109.06496	1.2
115.03976	1.3
115.05472	3.4
117.01838	0.7
117.07031	2.9
119.08604	5.4
121.06549	0.6
122.03637	6.3
127.03919	9.9
128.06180	2.8
129.01860	0.7
129.06963	3.9
130.04976	1.1
131.04927	17.5
132.05702	5.7
133.06497	2.8
137.05975	99.4
138.06277	1.7
139.07520	0.8
141.07027	1.7
143.04979	0.8
145.04961	3.1
145.06467	1.4
146.03609	0.8
147.08055	9.1
148.06039	1.2
149.05963	0.9
151.07547	1.7
154.39871	0.6
157.06512	1.5
158.07246	0.7
159.02899	3.8
159.08069	0.8
160.05179	4.7
161.05972	10.1
163.07539	33.3
166.67210	0.7
167.06946	0.6
169.06464	1.0
171.07928	0.9
175.07544	100.0
176.07874	1.8
179.07039	0.9
184.05212	1.2
187.07523	5.9
189.09103	2.0
190.07797	1.2
191.08548	2.3
193.08571	3.7
199.07556	9.5
201.09134	2.6
202.07811	1.8
203.08607	4.1
205.06503	0.7
207.07951	0.7
218.07076	0.8
219.08084	4.0
220.08809	1.8
231.05081	1.3
231.08057	5.5
232.08823	1.5
233.09581	1.0
235.07626	0.6
236.08298	0.8
237.09145	0.8
247.07584	3.1
248.08299	2.3
249.09024	0.9
251.10672	6.9
259.07504	3.3
260.08322	2.3
261.09210	1.3
263.10638	3.2
265.08456	0.8
276.07816	1.7
277.08548	2.0
279.10220	4.1
280.10971	0.8
291.10141	10.6
292.10840	2.7
293.07968	1.2
293.11575	0.8
295.13358	0.8
296.10254	0.9
307.54602	0.7
308.10370	1.6
309.11047	1.4
311.12769	13.8
323.12775	25.4
324.13074	1.2
325.14374	11.0
335.12857	1.2
341.14011	3.2
347.12772	0.6
385.44852	0.6
426.28421	0.9
493.67075	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89013	1.3
55.05515	9.3
56.05031	2.0
57.03443	6.3
57.07052	1.7
67.05502	17.6
69.07069	12.8
70.52191	2.4
71.07385	9.8
74.20156	1.0
74.25080	1.1
79.05479	5.1
81.07056	21.9
83.08610	7.4
86.09705	47.1
91.05474	3.0
93.07045	5.9
93.75933	1.1
95.08604	12.8
97.10161	3.9
97.80133	1.3
104.10725	7.4
105.07040	2.3
107.08585	3.5
109.10166	4.9
119.08618	1.8
121.10138	2.3
123.11725	1.8
133.10132	1.8
135.11722	1.4
137.13263	1.7
146.98181	60.4
147.11714	1.8
164.99313	1.3
188.00734	1.3
203.00792	12.5
206.05444	2.1
219.49187	1.1
262.08142	9.0
306.05432	2.1
325.01962	1.2
337.27365	17.1
359.25409	2.3
369.77444	1.2
461.20462	6.9
478.47888	1.2
483.24814	47.5
484.25308	1.7
542.32166	100.0
543.32446	5.8
624.32599	6.9
624.40527	1.4
625.26563	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	624.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.6
56.05029	1.1
57.03436	1.3
58.06592	1.1
60.08155	4.8
67.05518	5.4
69.07064	2.7
69.70985	2.0
71.07388	3.8
79.05497	1.7
81.07059	4.8
83.08604	1.3
86.09708	27.9
91.05477	1.5
93.07047	1.6
95.08622	4.1
100.67287	0.6
104.10744	100.0
105.06955	0.9
105.11089	2.1
107.08598	1.4
109.10130	1.2
121.10148	0.6
123.11674	0.7
124.93832	1.4
133.10130	1.3
146.98189	18.4
164.99265	0.8
181.05940	0.7
198.97482	0.8
203.00810	11.6
206.05511	1.5
262.08167	10.9
306.05548	1.3
337.27347	5.6
344.07132	0.6
359.25601	0.7
392.11230	0.7
439.22458	1.5
461.20380	33.2
462.20444	1.2
483.24838	30.3
484.24936	1.5
521.21356	1.4
539.22510	0.7
542.32166	57.3
543.32678	4.1
564.29059	0.9
624.31616	7.0
625.25446	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
55.05511	19.5
57.07076	13.9
59.51264	0.8
63.75445	0.8
67.05505	11.1
69.03440	2.2
69.07074	4.9
71.08636	11.9
72.50323	0.8
79.05489	6.4
81.07062	11.8
83.05000	1.0
83.08621	15.0
85.10176	6.2
89.74111	0.9
91.05495	1.8
93.07044	3.0
95.08620	9.7
97.10168	26.4
98.23519	2.0
105.06934	1.0
107.08594	6.6
107.17557	1.0
109.06512	1.1
109.10184	4.7
120.30292	0.9
123.11732	1.4
124.83387	0.9
125.09637	21.6
135.08090	2.4
139.05486	0.9
153.09135	1.7
184.07413	1.1
189.11234	11.5
196.13322	3.8
205.49348	1.1
214.14401	3.6
227.12735	8.0
239.23840	1.3
245.13794	2.2
253.61082	0.9
282.27795	2.1
313.27350	3.1
351.66696	0.9
433.16504	0.9
449.16293	0.9
450.16724	3.4
462.20255	1.1
472.22153	1.2
479.20828	2.3
483.36810	100.0
484.37067	7.1
500.21451	2.9
518.22321	2.1
530.22620	1.4
536.20105	1.1
537.21130	1.0
546.21924	4.2
550.25464	1.3
564.23077	1.4
565.24438	15.8
574.21826	1.1
606.24255	10.0
606.34094	1.4
624.25342	18.7
624.41455	2.6
625.26331	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	624.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08466	0.2
55.05510	4.4
56.05028	0.7
57.03442	1.6
57.06857	0.2
57.07082	2.8
58.06600	1.2
60.03705	0.2
60.04522	0.5
67.05503	3.7
69.07069	4.9
70.06593	4.7
70.11768	0.5
70.12107	0.3
71.04994	1.5
71.08630	1.1
74.06070	0.4
76.62386	0.2
79.05481	0.6
81.07056	6.3
83.08624	4.1
84.08138	1.1
85.06550	0.5
85.10204	0.4
91.05431	0.3
93.07050	0.4
95.08606	5.6
97.10160	1.7
98.09683	0.4
98.23442	0.3
102.09178	0.8
104.10764	0.5
107.08606	0.3
107.85145	0.3
109.10155	3.1
111.11731	0.4
123.11707	0.9
137.13242	0.3
198.22197	0.4
198.96367	0.3
207.66061	0.3
212.23840	0.3
238.25294	11.7
239.25662	0.5
256.26346	100.0
257.26660	4.7
270.98608	0.6
288.99576	0.4
311.61972	0.3
408.91098	0.3
581.23413	0.3
624.25055	6.2
625.25067	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
57.03436	5.9
57.73132	0.4
58.75333	0.4
61.02915	0.5
62.00658	0.3
65.68823	0.3
67.74672	0.3
69.03412	1.3
69.45379	0.4
69.45682	1.7
70.06588	0.5
71.04994	1.3
73.02930	2.1
73.03283	0.5
73.05672	0.3
75.04481	15.5
81.03407	0.4
83.04967	1.0
84.08184	0.4
85.02467	0.5
85.02911	5.6
87.10467	0.4
88.44549	0.3
92.02612	0.5
93.03403	0.8
97.02908	0.9
99.04480	0.4
101.06030	0.5
105.59827	0.3
111.04437	1.3
120.08148	0.3
121.02875	0.8
127.03950	0.8
129.05463	1.3
139.03903	1.1
145.02904	0.4
145.04955	1.7
147.06552	0.5
147.78099	0.3
151.03867	0.7
153.01816	5.7
163.03915	0.9
165.01820	0.6
177.23773	0.3
201.05475	0.6
217.04974	0.5
218.05956	0.4
219.10030	0.4
228.04237	1.0
229.04890	2.1
245.04489	1.1
246.05298	1.0
254.59871	0.4
257.04419	1.8
273.03964	1.1
274.04712	3.3
284.03091	0.6
285.03931	4.4
301.03409	0.4
301.06973	0.7
302.04196	10.9
303.04453	0.5
303.79791	0.3
317.06546	100.0
318.06812	3.6
359.07632	0.5
463.12152	0.7
467.15530	0.4
479.11728	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1766
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
53.03923	0.2
55.01865	0.2
55.05508	0.4
57.03442	1.7
59.06156	0.2
61.02914	0.7
61.54390	0.2
65.93675	0.2
69.03429	1.2
70.06586	0.2
70.73931	0.3
71.04994	10.2
73.02905	0.4
75.04458	0.3
81.03410	0.6
83.04974	0.6
83.08589	0.2
83.53162	0.2
85.02905	14.4
86.68124	0.2
87.04461	0.4
92.02622	0.5
93.03389	0.7
97.02909	1.5
99.04473	0.3
100.11269	0.4
109.02869	0.5
111.04423	0.7
121.02855	0.4
126.03117	0.3
127.03901	0.9
128.07094	0.2
129.05484	3.5
137.05989	0.2
139.03918	0.8
139.20251	0.2
145.04953	0.6
147.06519	0.8
151.03891	0.5
153.01822	5.1
163.03888	0.2
165.01823	0.4
177.05498	0.2
182.15373	0.6
201.05449	0.2
203.03365	0.3
210.14864	0.7
217.04993	0.3
218.05704	0.4
219.02950	0.2
228.04158	0.9
229.04959	2.1
231.02803	0.3
243.06535	0.2
245.04495	0.5
246.05289	1.6
257.04468	1.4
258.05167	0.3
261.07407	0.2
273.03998	1.2
274.04700	3.7
284.03192	0.4
285.03943	3.7
286.04587	0.3
302.04205	10.3
303.04620	0.6
317.06546	100.0
318.06934	4.9
359.07690	0.4
425.76929	0.2
432.64227	0.2
438.07062	0.2
479.11685	0.4
608.40131	0.3
625.42926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	2.3
60.41040	1.3
62.09195	1.2
62.97918	1.2
64.55564	1.2
67.05511	3.9
69.07088	1.4
69.21098	1.2
69.35703	7.0
70.15040	1.5
78.00240	1.6
79.05502	3.0
81.07056	4.7
83.08627	2.3
83.17523	1.3
91.05467	3.4
93.07063	3.0
95.08650	3.1
105.07072	2.7
107.08658	1.8
109.10172	2.5
115.41233	1.6
119.08627	2.4
131.08569	1.9
131.70753	1.4
133.10138	2.0
143.08615	1.6
145.10187	2.1
146.09502	1.4
147.11690	1.9
164.10759	5.5
171.11694	1.7
198.97429	2.9
223.12497	1.7
237.13876	3.3
238.14714	5.7
264.15027	2.2
274.13617	1.5
275.37357	1.4
279.86160	1.3
292.14810	1.4
307.16977	2.4
370.12006	1.9
391.19226	1.7
405.21008	2.6
406.81149	1.4
414.11020	6.8
415.11465	1.7
419.22324	1.8
431.18607	2.3
445.20416	2.5
457.16428	2.0
458.21399	1.8
461.23615	1.5
462.16867	4.0
463.21414	1.9
464.22247	2.2
473.23929	10.9
476.22394	1.7
477.22736	2.1
478.07428	1.5
479.24734	3.6
487.21179	2.3
488.22067	4.1
489.22446	1.8
501.23361	6.6
503.24466	5.9
504.23050	2.0
507.23798	14.1
515.38525	1.7
527.23450	3.6
531.23486	6.8
532.22650	1.8
533.21655	2.0
534.19574	1.7
535.19720	1.4
547.23431	4.9
550.21344	2.0
558.19830	1.8
565.23096	2.4
575.22852	17.1
576.21582	7.2
593.23901	26.7
607.25519	100.0
608.24963	12.9
625.26556	98.7
625.44037	5.3
626.26501	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	625.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.46257	1.2
79.05500	1.5
81.07078	2.1
85.15038	0.8
91.05497	0.9
93.07045	1.7
95.08611	1.1
104.10796	1.3
105.07074	1.3
119.08550	1.1
126.66730	0.8
145.10172	1.2
164.05872	0.9
164.10725	1.7
197.50737	1.1
223.12312	1.2
238.14677	2.0
248.05815	0.8
249.12614	1.1
255.11308	1.1
264.14963	1.6
269.98846	0.9
292.14511	1.3
370.11819	1.4
392.17447	1.1
403.19556	1.2
407.22501	1.5
414.10944	3.1
415.11731	1.3
416.19226	1.0
419.18604	1.3
421.20331	1.7
433.20300	4.4
434.21494	1.2
440.83044	0.9
449.19742	3.0
462.16235	1.5
463.21661	2.4
464.21780	2.5
473.23676	4.1
477.19006	1.4
478.20493	1.1
479.24899	1.4
492.21796	1.8
493.22592	1.2
501.22751	2.1
507.23694	6.0
531.23590	2.0
533.21942	1.4
535.20251	1.2
547.23138	2.1
548.23260	1.3
550.21643	2.0
551.22925	1.3
565.24799	6.0
575.22974	7.2
576.21704	2.7
583.25427	1.1
593.23950	13.7
593.33044	0.7
607.25562	25.3
608.24261	5.5
625.26495	100.0
625.43494	2.4
626.26807	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	625.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91275	0.9
55.01889	0.9
55.05509	1.7
57.37696	1.0
58.87678	0.9
67.05479	2.1
69.07078	1.4
79.05505	3.4
81.07070	5.0
82.63123	1.0
87.22292	1.1
87.36015	0.9
91.05502	2.7
93.07055	3.3
95.04907	1.1
95.08578	1.4
98.22706	2.8
105.07047	1.6
107.08615	1.2
109.06532	2.5
109.10168	1.1
117.06955	1.2
119.08598	2.5
121.10184	1.3
125.44044	1.2
131.08595	1.5
133.10130	1.2
142.73863	0.9
145.10138	1.4
145.36003	1.2
178.50714	1.1
273.18567	1.3
291.19641	2.8
335.26050	1.3
338.16553	1.3
375.07495	1.1
377.17786	1.9
391.19229	3.8
392.19937	2.6
393.20923	1.2
403.19565	1.6
404.19870	1.3
405.20715	10.2
406.21436	4.3
407.22443	6.9
419.22467	4.3
420.23026	6.7
421.23880	9.9
422.17386	2.0
422.24222	1.7
433.24075	2.8
434.24698	2.8
435.18259	3.2
436.18820	2.6
448.26624	1.5
451.21298	19.2
452.21872	3.4
461.23700	2.2
463.21439	1.3
464.22049	3.2
465.22836	19.1
466.23453	3.8
478.23431	1.5
479.24445	3.6
488.22412	1.4
491.21085	2.5
493.26123	14.3
494.26559	3.2
503.24786	8.9
504.24612	2.5
509.21960	3.6
519.23645	1.5
521.25372	7.9
523.23297	9.3
537.25073	7.0
538.25781	20.8
539.26550	2.0
547.23535	4.0
556.56116	1.1
565.24347	10.1
566.25146	2.1
581.27448	7.2
607.25739	5.6
625.26581	100.0
625.42969	3.5
626.26782	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	625.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13768	0.9
51.42214	0.8
55.05510	2.3
57.03436	1.1
67.05507	5.9
69.07080	2.3
79.05503	2.7
81.07058	4.8
83.08640	1.6
91.05497	3.7
93.07059	2.1
95.04977	1.0
95.08625	3.0
97.06568	0.9
104.10788	2.1
105.07053	3.3
107.08618	2.7
107.27051	0.8
109.10181	1.6
117.07034	2.2
119.08588	2.5
121.10153	2.8
129.07025	1.6
131.08586	2.5
133.10152	2.4
143.08600	1.7
145.10167	1.6
147.11678	2.2
149.09628	0.9
157.10173	1.9
159.11749	1.1
168.09500	1.0
169.10121	1.2
171.11752	1.1
173.13264	1.1
183.11739	1.5
192.54373	0.9
195.00429	2.2
197.13336	1.1
198.97496	2.6
210.11658	0.9
275.20065	1.5
356.29111	0.8
389.17618	1.2
403.19583	1.6
404.20230	1.0
405.20645	1.0
417.20911	2.6
419.22491	1.4
421.24225	1.8
429.20761	1.3
431.18573	2.8
433.24292	2.0
445.19769	1.2
446.21115	1.1
447.21524	2.0
449.19101	1.0
457.23920	1.5
459.22311	1.1
460.22672	1.3
461.23901	1.1
471.22687	1.1
472.19403	1.0
473.19693	3.6
474.20126	2.3
475.20996	9.7
476.22205	1.9
477.22940	3.3
483.21747	2.2
484.22571	1.3
485.23849	1.1
486.20432	1.6
487.21445	6.5
488.21484	1.2
491.20544	1.6
492.25659	1.4
501.23132	8.9
502.20227	4.1
503.20938	4.5
505.22510	2.5
510.26471	1.1
511.21371	0.9
513.22565	1.8
519.24268	5.2
527.23517	3.5
529.22089	5.2
531.24237	2.4
533.21832	1.3
537.24957	1.6
539.20953	1.0
540.32800	1.1
542.23657	1.0
547.23425	19.8
548.24066	3.5
549.24152	0.9
557.21228	1.2
566.25378	1.6
575.22870	7.0
579.26379	1.3
589.24573	2.4
607.25525	44.9
607.43463	2.6
608.25916	3.3
625.26575	100.0
625.44275	9.2
626.26831	5.7
640.30243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	3.2
55.08179	0.6
57.03440	1.2
59.74430	0.5
65.03926	0.7
67.05501	7.6
67.48990	0.6
68.58342	0.6
69.07082	2.2
70.61021	1.1
79.05492	7.4
81.07060	8.4
83.04992	0.7
83.08617	1.3
91.05479	5.7
93.07046	6.9
95.05000	1.0
95.08603	6.0
105.04504	0.7
105.07038	4.6
107.04993	0.8
107.08589	3.5
109.06561	1.4
109.10190	2.0
117.07079	1.9
119.08605	4.4
121.10183	2.6
123.11758	0.8
128.06299	0.6
129.07028	1.2
131.08620	2.9
133.06549	0.6
133.10162	2.7
134.04622	0.6
135.11742	1.8
143.08604	2.0
145.10106	3.2
147.08084	0.8
147.11732	1.8
149.09627	1.3
157.10176	0.9
159.11720	1.8
161.09721	1.7
161.13303	1.3
163.11211	1.4
171.11681	1.4
173.13368	1.3
183.11745	1.1
184.07492	1.6
185.13301	0.9
211.14844	0.6
236.09761	0.7
245.19084	1.2
246.91338	0.7
249.18503	0.7
255.17519	0.9
273.18491	6.6
291.19586	2.3
301.65063	0.6
311.72589	0.7
335.25717	0.7
347.22290	1.9
376.17230	0.7
379.19196	0.7
391.18985	1.0
392.19827	0.8
393.20892	0.8
405.21115	1.1
407.22223	3.1
417.16806	1.1
419.18332	1.6
421.16446	1.2
423.17929	1.2
433.20432	3.9
434.21179	1.8
435.22382	1.4
436.18689	1.0
437.19913	2.5
449.15689	5.7
451.21432	5.9
452.21747	1.0
463.17004	4.8
464.18036	3.3
465.18951	3.4
477.18634	3.0
478.19968	8.2
479.20761	7.5
491.20630	3.0
505.22443	2.6
521.25818	1.7
523.20142	2.2
537.24713	1.9
550.23138	0.9
565.24451	30.5
566.25079	3.0
593.23950	1.5
607.43280	3.3
625.26599	100.0
625.42676	12.5
626.26855	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	625.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33954	0.3
55.05521	0.4
67.05521	0.9
79.05518	0.6
81.07070	1.1
82.11243	0.4
83.01110	1.2
83.08634	0.4
86.09698	0.4
88.33205	0.3
91.05496	0.5
93.07050	0.8
95.08606	0.8
98.03420	0.4
104.10765	1.6
105.07064	0.4
107.08606	0.5
111.04192	2.4
119.08611	0.6
121.10152	0.5
127.03722	1.5
131.08640	0.4
133.10173	0.6
141.05212	0.4
145.10162	0.5
147.11693	0.4
155.06812	1.8
156.07640	0.6
170.09145	0.5
171.06316	1.2
175.14684	0.4
184.10701	0.5
186.08522	0.5
199.09436	2.2
200.10078	0.4
214.11882	0.6
215.08955	1.0
227.12411	0.5
230.11230	0.6
243.12074	1.1
246.42776	0.4
259.11310	0.5
271.15079	0.6
273.18570	0.6
285.22220	0.6
287.14783	1.4
303.14087	0.4
334.67487	0.4
347.17181	0.6
375.19879	1.2
394.07935	0.4
442.17459	0.5
553.29968	0.7
565.24231	0.5
581.79419	0.4
583.26025	1.2
625.39160	100.0
626.27795	0.7
626.39569	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	626.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
62.58900	0.7
63.02360	0.9
70.05666	0.6
70.06025	1.9
70.57449	0.6
79.05476	1.7
84.08221	0.6
89.03914	11.2
91.05467	0.7
95.71762	0.6
97.34029	0.6
107.04968	3.7
111.04426	0.8
117.03373	13.1
118.06551	0.7
123.04430	13.2
131.04922	1.5
131.20331	0.6
135.04408	22.3
137.02324	0.9
137.06012	0.9
143.04863	0.7
145.02850	15.2
146.06006	3.1
147.04417	4.6
159.04355	0.8
160.05200	1.7
161.05933	1.7
162.05475	1.7
163.03900	79.2
163.06221	4.5
164.04234	2.6
164.07074	7.3
165.06982	1.2
167.08586	1.7
175.03911	2.3
176.06163	0.9
177.06900	5.6
181.06442	1.6
183.48889	0.6
187.03885	1.0
193.06303	0.7
195.08075	3.0
204.08104	1.7
205.06480	21.4
206.06992	1.0
211.07564	2.2
221.05971	2.8
223.07516	25.0
224.07780	1.0
226.06140	1.0
232.07555	1.1
233.05939	15.7
233.08167	0.9
234.06654	2.1
239.06964	3.3
241.08611	1.6
249.05414	1.8
250.06261	1.1
250.08597	9.4
251.07011	38.1
252.07498	1.4
257.07990	1.2
261.05402	4.3
267.06494	4.3
268.09711	1.0
269.08041	14.9
278.08127	8.4
279.06494	70.6
280.06943	2.9
282.05197	1.7
285.07535	11.4
286.10709	9.7
295.04520	1.7
296.09180	17.7
297.07544	44.0
298.07953	1.4
306.07669	0.7
314.10199	100.0
315.10541	4.2
321.07635	1.0
446.10825	1.6
464.11871	40.1
465.12015	2.5
618.35022	0.8
626.15002	12.2
627.15063	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01862	1.2
55.05490	0.5
57.03431	1.3
61.02922	0.6
62.60552	0.4
67.42209	0.5
69.03432	4.3
69.52171	1.9
73.02916	0.7
74.10957	0.5
81.03425	2.5
82.06611	0.6
83.08627	0.8
85.02909	7.8
87.00834	3.9
87.04453	0.7
90.04991	0.5
91.05490	1.2
96.45282	0.5
97.02904	3.0
98.22744	0.9
99.04467	0.7
100.07627	0.6
100.11244	4.8
103.05495	0.7
105.01872	2.4
105.06980	0.5
106.84728	0.4
109.02868	1.9
111.04426	1.2
115.03932	3.1
115.05440	1.3
116.45621	0.5
117.07055	0.6
120.68664	0.5
125.02364	0.7
127.03916	4.1
128.06226	1.7
128.07068	0.8
129.07008	4.9
131.04936	2.1
131.08577	6.4
133.06427	0.8
137.05989	4.8
140.07101	0.5
141.06993	5.3
143.05022	0.7
143.08574	1.5
144.05724	0.6
145.04941	1.1
145.06488	1.4
146.07277	0.8
147.04434	0.6
151.07541	1.3
157.06480	5.1
158.07257	1.1
159.02847	1.4
159.08054	5.7
160.05246	0.8
161.04434	2.4
161.05907	1.2
161.09653	0.9
162.06752	1.1
163.07530	1.2
169.06487	2.2
170.07245	1.0
171.08061	2.1
174.06775	11.4
175.07562	3.9
177.07819	0.8
178.08643	2.0
182.15410	4.2
186.06731	2.5
187.07466	0.7
188.08282	1.0
189.09103	25.1
190.08623	0.9
191.10600	2.3
201.03918	1.0
201.09094	7.7
203.10657	8.8
208.09778	1.2
209.08173	0.6
209.16513	0.7
210.14894	4.5
219.10164	100.0
220.10530	3.9
221.11768	1.6
237.11269	1.4
247.04607	2.4
247.07167	0.6
265.05630	0.9
325.14053	0.8
337.21155	0.9
356.22733	0.5
608.39716	1.4
626.25317	3.1
626.41156	3.1
627.20227	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.3
55.01868	0.5
57.03439	0.8
59.05029	0.1
61.02928	1.0
67.45615	0.1
68.99792	0.4
69.03431	2.5
70.06588	0.2
71.04985	0.2
73.02917	0.8
73.08930	0.1
81.03417	1.2
83.01347	0.1
85.02906	6.7
87.04456	0.2
89.03929	0.7
90.04247	0.2
91.03953	0.3
93.03404	0.3
95.04958	0.2
97.02898	2.1
99.04451	0.3
107.04952	0.9
108.05311	0.1
109.02872	1.0
111.00790	0.9
115.03871	0.1
117.03358	0.8
118.03657	0.2
121.02861	0.7
123.04434	0.6
124.04733	0.1
125.05489	0.1
127.03924	1.5
133.02869	0.2
135.04414	1.8
136.04720	0.4
137.02342	2.8
137.03340	0.1
137.05942	0.3
145.02850	0.9
145.04961	1.4
145.06181	0.2
145.06367	0.2
146.03149	0.3
147.04402	0.4
148.04803	0.1
149.02336	0.5
152.07082	0.4
153.01816	3.2
153.03059	0.2
153.07350	0.1
155.04926	0.2
155.91679	0.1
161.05995	0.3
162.05315	0.1
163.03908	6.2
164.04231	2.2
165.01843	2.0
166.02600	0.2
167.03395	0.1
173.06032	0.3
177.04121	0.2
177.05569	0.2
178.05017	0.1
183.02936	0.8
183.04375	0.2
191.03322	0.2
192.06557	2.6
193.06961	1.3
194.08011	0.2
195.02884	0.3
201.05482	1.5
205.04887	0.2
207.02873	0.1
219.02853	0.1
219.06590	0.3
219.97015	0.1
223.07504	0.1
224.07629	0.1
229.04968	4.1
247.06038	0.7
252.07339	0.1
257.04459	2.5
257.07156	0.1
269.07870	0.3
270.08359	0.4
274.04724	0.7
275.05405	0.2
279.06470	0.2
280.06909	0.3
285.03952	1.3
285.06873	0.2
297.07474	0.5
298.07977	0.8
300.12366	0.7
301.12601	0.8
303.04974	100.0
304.05331	3.7
314.10269	0.3
315.04880	0.1
315.10547	0.3
345.05948	0.2
388.47610	0.1
447.08728	0.1
448.09799	0.2
462.17429	0.6
463.18002	1.4
464.11978	1.0
465.10400	8.7
466.10571	0.4
594.21210	0.1
595.22186	2.2
627.15338	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01871	0.4
57.03422	0.6
61.02921	0.8
65.03918	0.2
68.99782	0.4
69.00835	0.1
69.03425	2.5
69.37853	0.5
69.38267	0.3
70.06598	0.2
71.04966	0.2
73.02901	0.2
81.03416	1.2
83.01328	0.2
85.02903	7.8
86.09682	0.3
87.04462	0.2
89.03899	0.4
91.03919	0.2
93.03393	0.3
95.04977	0.3
96.41461	0.2
97.02892	2.4
99.04424	0.4
109.02860	1.1
111.00803	0.8
117.03401	0.3
119.65881	0.2
121.02869	0.9
123.04407	0.4
127.03922	1.9
135.04382	0.7
136.04718	0.3
137.02342	2.9
145.02795	0.3
145.04959	1.9
146.03247	0.2
147.04422	0.3
149.02345	0.6
153.01819	3.5
161.05988	0.3
163.03908	1.8
163.05977	0.2
164.04243	0.6
165.01837	2.1
166.02542	0.2
177.01910	0.2
177.05511	0.3
183.02855	0.8
183.04362	0.3
187.03943	0.2
194.10989	0.2
195.02843	0.3
201.05458	1.2
205.04967	0.2
207.02971	0.2
219.06628	0.4
229.04964	4.2
247.06027	0.9
257.04443	2.8
274.04688	0.7
275.05487	0.3
285.03830	1.1
297.07666	0.3
298.07999	0.2
303.04968	100.0
304.05307	3.6
452.12061	0.2
464.11832	0.5
465.10315	13.7
465.43158	0.2
466.10934	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
55.01865	0.5
57.03432	1.7
61.02933	2.5
69.03432	6.0
69.70846	1.0
70.06591	2.4
71.01331	0.4
71.04994	0.6
72.08142	0.7
73.02919	0.7
81.03410	2.2
85.02906	16.2
86.09688	0.7
87.04461	1.1
89.35052	0.3
91.03967	0.9
93.03421	0.3
97.02895	5.1
98.23373	0.6
99.04461	1.0
103.03980	0.4
109.02887	2.4
111.00812	1.0
121.02876	1.1
123.04414	0.3
127.03909	3.6
135.04440	0.6
137.02332	1.8
137.05975	0.3
145.02940	0.4
145.04945	3.1
153.01825	3.1
163.03926	2.4
163.05963	0.3
164.04201	0.7
165.01822	1.4
177.05450	0.3
183.02939	0.8
183.04605	0.3
183.06584	0.3
183.14902	0.9
201.05457	1.0
211.14340	0.6
229.04938	3.1
247.06038	0.6
257.04498	2.1
274.04794	0.7
275.05457	0.6
285.03943	1.2
286.04657	0.3
302.04230	0.6
303.04984	100.0
304.05362	3.9
327.05212	0.3
345.05930	1.6
385.24573	0.6
465.10312	13.8
466.10852	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.8
55.08275	2.3
59.50958	2.1
60.60306	2.1
67.05506	15.9
69.07040	6.0
69.48103	6.0
69.48492	4.2
79.05501	16.4
81.07047	19.8
83.08630	3.7
91.05473	8.1
93.07031	12.4
95.08605	8.4
96.20382	2.4
98.22732	4.7
105.07043	11.5
107.08590	7.0
109.06497	2.9
109.10133	5.0
117.07012	3.6
119.08612	5.1
121.10107	3.3
131.08598	5.8
133.10164	6.1
145.10147	4.6
146.16725	2.4
147.11678	4.4
159.11713	4.3
168.07858	2.4
213.07733	2.9
230.02513	2.4
275.20047	5.4
297.12640	2.7
335.25937	5.9
352.17596	3.7
353.17889	3.7
365.17676	2.9
367.19266	7.5
379.19165	3.5
383.22214	2.9
395.18399	4.6
397.20056	5.9
409.20081	5.9
411.22012	6.3
422.20688	4.0
423.21976	5.9
424.22733	3.3
425.19745	11.7
437.23502	3.5
438.20038	6.2
439.21017	11.7
440.21863	8.3
453.22766	7.1
454.23499	3.0
470.23526	3.1
481.21875	2.9
483.24515	3.5
493.22589	3.0
496.24396	4.6
497.24979	19.4
498.25919	8.9
509.25534	5.6
525.25006	4.7
526.25458	5.0
541.27844	14.4
583.29187	15.2
584.26215	8.7
585.27069	100.0
586.26807	3.4
609.45166	4.2
627.28217	66.8
627.45300	8.8
628.28278	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	627.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78109	0.6
55.05530	0.9
67.05536	1.1
69.40607	2.2
69.40936	0.7
70.55462	0.6
77.09842	0.6
81.07102	0.8
85.73223	0.6
91.05497	1.4
91.71616	0.6
94.06638	0.7
95.04948	0.8
105.07066	0.7
106.06609	0.7
112.20932	0.6
120.08187	0.9
130.06544	0.7
131.07411	1.2
131.08644	0.6
132.04497	0.6
136.07585	1.5
138.09189	1.3
144.08122	0.8
146.09726	0.8
151.13193	0.6
160.11446	0.7
172.07698	0.9
174.09134	4.9
176.92450	0.8
186.09346	1.0
187.08762	1.5
187.12321	6.2
188.10835	2.2
197.07130	1.1
197.10800	1.5
198.09314	1.0
199.08803	1.1
200.09427	1.0
200.11177	0.6
210.09366	0.8
211.08769	2.0
211.12416	1.1
212.09407	0.8
213.10382	1.4
215.11803	4.0
222.09283	1.0
223.08704	1.5
224.09409	1.4
225.10216	3.2
226.08743	0.8
226.10927	0.7
227.11839	2.5
228.08900	0.6
229.09734	0.7
235.08815	1.8
236.09557	0.8
237.10313	1.1
238.10963	1.1
239.08234	0.8
239.11797	3.3
241.09808	0.7
241.13510	2.7
243.11272	28.5
244.11801	1.1
244.96129	0.6
249.10402	2.3
250.08678	0.9
251.08203	0.8
251.11938	2.3
252.09073	1.3
253.09891	2.3
253.13498	1.3
255.11386	0.7
259.11673	0.8
261.10495	0.9
263.08289	0.6
263.11761	0.8
265.09869	1.5
267.11243	9.2
269.12875	1.9
277.09818	1.9
278.10544	0.8
283.14420	1.2
285.12524	1.9
287.11343	0.7
291.11264	1.1
293.12988	1.4
295.10745	4.2
300.11490	1.0
301.12329	1.1
301.15680	1.4
304.11218	0.8
305.11838	0.7
309.12354	1.6
314.12967	1.7
315.13898	0.8
316.10907	1.8
316.14438	1.4
317.11813	0.7
318.12698	0.8
319.10809	1.7
320.13815	1.3
325.15540	11.2
326.12823	1.0
327.13406	5.3
328.10889	1.8
328.14587	2.0
329.11752	1.1
330.12350	3.5
330.15982	1.0
331.13297	1.3
332.14114	0.7
334.15634	1.9
335.12967	0.9
336.13498	1.2
342.12430	4.2
342.16229	0.9
343.13144	3.3
344.14047	4.6
344.17667	1.2
345.14886	2.4
346.15503	2.6
348.13467	5.5
354.12234	1.0
356.10107	1.1
356.14047	3.6
357.14737	2.2
358.15549	3.3
359.16248	1.4
360.17261	1.3
362.15363	0.9
366.18399	0.9
368.13895	0.9
370.15607	3.0
371.16501	1.1
372.17178	4.1
374.15100	1.8
375.16504	0.9
384.13135	1.3
384.17380	1.6
385.18173	1.1
386.15118	2.1
386.19101	1.2
398.15091	1.0
400.16818	3.1
403.15506	1.6
407.15103	1.1
412.16663	2.5
413.17661	0.8
416.16299	1.0
417.16962	1.1
418.17889	1.1
419.18997	2.0
420.16699	1.4
421.17001	1.7
422.17877	1.8
423.18750	0.9
430.17511	1.3
431.18872	1.6
432.19604	3.6
433.19800	0.8
434.18475	0.8
435.14514	2.1
436.14816	0.7
437.19992	2.5
444.19351	0.8
445.20319	1.4
446.20587	0.7
447.22595	4.1
449.15472	1.6
449.20782	1.5
450.16531	1.8
450.21954	0.9
451.17764	2.0
452.22415	1.0
460.18890	1.4
461.23621	2.0
462.23999	3.2
463.22403	3.3
464.12482	0.8
464.18439	1.3
465.18851	17.1
466.20056	2.2
473.19785	1.0
475.21332	1.5
476.19827	0.8
477.18839	1.0
478.20432	2.2
479.20605	8.2
480.21387	8.3
481.22412	5.4
489.23041	1.7
490.21640	1.9
491.20752	1.3
492.21835	3.5
493.23257	4.4
494.22913	1.8
504.21555	1.5
506.23715	1.1
507.23926	6.6
508.21164	2.2
509.21472	0.8
511.34555	0.7
517.22626	2.8
520.21161	1.4
535.23358	9.4
537.21259	1.9
539.26886	1.6
549.24963	13.7
550.24036	1.0
552.23871	1.7
553.24493	2.2
563.22845	1.5
567.26038	91.9
568.26300	6.2
577.24396	2.5
595.25500	100.0
596.25781	5.6
609.27185	1.0
627.28137	68.4
628.28192	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	627.2819
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
50.31116	0.4
52.36752	0.4
67.05500	0.7
70.02962	0.5
77.54135	0.3
88.71096	0.3
91.05510	0.5
93.07069	0.4
93.17936	0.4
98.22680	0.7
110.96313	0.3
130.06578	0.6
131.07352	1.0
136.07585	1.0
138.09203	1.1
143.18448	0.4
146.09673	0.9
156.08112	0.4
167.07278	0.4
169.08978	0.4
172.07661	0.5
174.09169	3.6
184.09998	0.6
185.07211	0.4
186.09251	0.5
187.08723	0.9
187.12276	3.1
188.10735	2.0
197.10721	0.9
198.07835	0.5
200.09473	0.5
202.77341	0.4
206.09773	0.4
209.10635	0.4
210.09387	0.5
211.08717	1.5
212.09348	0.9
213.10324	0.9
215.11812	2.6
223.08705	0.8
223.12308	0.5
224.09285	0.8
225.10220	3.0
226.11043	0.4
227.11784	3.1
235.08704	1.3
237.10229	1.2
239.11826	2.0
241.09729	0.8
241.13194	2.0
242.11737	0.6
243.11304	20.1
244.11852	0.8
248.09488	0.5
249.10291	1.4
250.08687	0.5
250.11003	0.7
251.11859	1.7
252.08862	1.0
253.09877	1.7
253.13663	0.4
262.11337	0.4
265.10049	0.5
265.13254	0.5
267.11292	6.5
269.12927	1.6
277.09833	1.5
278.10529	0.7
285.12149	2.4
291.11124	0.5
295.10760	3.0
297.12375	0.6
299.14154	0.9
300.11505	0.5
301.12378	0.8
301.15598	3.2
302.12888	0.5
303.10672	0.4
309.12451	1.6
313.12799	0.7
314.13058	1.1
315.13989	0.5
316.10944	1.5
316.14572	1.1
317.11667	1.1
319.10876	0.8
323.14157	0.5
325.15540	6.3
327.13437	4.9
328.11002	2.0
328.14581	1.2
329.11902	1.3
330.12445	2.2
330.16125	1.1
331.13126	0.8
332.14185	0.7
334.15588	1.2
338.13177	0.4
340.14563	0.5
341.11829	0.6
342.12479	3.1
342.16098	1.1
343.13278	2.1
344.13852	2.4
345.14716	1.1
346.15570	1.4
348.13379	2.9
351.13153	0.7
354.12372	0.9
354.16232	0.7
355.13589	1.3
356.14017	2.4
357.14594	2.1
358.15482	2.5
359.16330	0.6
360.17270	0.7
362.15363	0.5
366.18512	0.6
368.14343	0.6
370.11679	0.9
370.15686	2.1
371.16553	0.8
372.17233	3.1
373.14139	0.5
382.15604	0.6
384.13052	0.8
385.18222	1.0
386.14832	1.2
386.18750	1.8
390.14481	0.9
396.17108	0.4
398.15048	0.9
400.16492	2.4
402.14474	0.8
403.16245	0.7
405.17310	0.5
407.14807	0.7
412.16895	0.9
418.18024	1.0
419.18979	0.8
420.16617	0.4
420.20023	0.5
421.16858	0.5
422.18051	0.4
428.16599	0.4
431.18478	1.6
432.19385	3.8
433.20331	0.7
434.18118	0.6
435.14584	1.4
436.19839	0.7
437.19724	1.5
438.20917	0.4
445.20255	0.9
447.21844	1.9
448.15808	0.9
449.15491	0.8
449.20642	0.8
450.16711	0.8
450.21863	0.6
451.17743	1.9
451.22763	0.5
460.18820	0.9
461.23834	0.8
462.25058	2.2
463.21957	2.8
464.18185	0.8
465.18781	10.6
466.19446	1.2
472.19281	0.6
476.18936	0.5
477.19376	1.3
478.20160	1.3
479.20557	5.1
480.21542	3.8
481.22592	1.9
489.22900	1.7
490.20773	0.5
490.23935	0.5
491.20398	1.8
492.21323	2.3
493.22830	3.7
494.23560	0.6
495.16971	0.6
503.20700	0.5
504.21609	1.9
505.18808	0.5
506.23645	0.6
507.24158	3.6
508.21518	1.2
517.22406	1.7
520.21088	1.3
521.24164	0.6
525.21136	0.5
534.22748	0.7
535.23499	5.5
537.21301	0.6
549.25024	8.3
550.24866	0.7
551.26019	0.4
552.23926	0.8
553.24390	1.4
554.25000	0.7
563.23053	0.7
567.26086	46.8
568.26434	3.1
577.24603	1.2
595.25500	34.0
596.25702	1.8
609.26508	0.6
627.28162	100.0
628.28851	5.9
644.45959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2819
Annotation	red chlorophyll catabolite
Peak:m/z	Relative Intensity
62.96021	1.1
69.13255	8.3
72.95844	1.3
74.46470	1.1
81.07091	2.1
88.75209	1.1
107.08663	1.3
109.10160	1.1
115.31268	1.3
131.80878	1.4
199.60469	1.3
286.97559	1.1
367.19141	1.8
367.86554	1.3
377.17661	1.6
380.20294	1.4
391.19464	1.4
395.18802	1.9
410.21017	1.8
421.20068	1.4
433.20370	2.0
437.23514	4.8
438.20737	1.9
439.21420	1.6
449.23306	6.8
451.21194	2.3
453.22809	10.1
463.25665	1.9
465.23151	2.2
467.24612	2.0
469.26224	2.6
475.21512	3.9
490.24313	1.3
497.25647	3.9
507.23944	2.3
512.27972	4.9
522.26086	4.1
523.27142	5.6
525.24982	4.6
539.26172	2.4
540.27332	25.5
549.24994	4.5
550.25464	2.3
567.25989	5.3
591.26025	4.5
595.25232	1.8
609.27032	5.4
627.28088	100.0
627.43665	3.5
628.28546	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	627.3743
Annotation	14-epi-Ponasterone A 22-glucoside
Peak:m/z	Relative Intensity
53.03938	3.0
55.01857	2.1
55.05506	4.2
57.03427	3.3
61.02922	3.8
67.05497	3.8
69.03434	12.3
69.06708	2.8
69.07067	40.3
69.64103	4.4
71.04988	1.4
73.06568	5.9
75.28608	1.2
79.05501	3.8
81.03424	7.9
81.07056	6.9
82.97140	1.2
83.04966	1.7
85.02903	32.9
87.04462	2.0
88.99319	1.3
90.40205	1.2
91.03945	1.3
91.05447	6.8
93.07040	9.2
95.04976	2.6
95.08612	4.5
97.02889	12.3
97.06528	10.0
98.22718	1.8
99.04467	2.0
105.07021	11.2
107.04964	1.3
107.08591	6.1
109.02879	3.1
109.06519	14.6
109.10158	2.8
115.07574	16.7
117.07013	4.2
119.08559	8.1
121.06517	2.9
121.10164	6.1
123.07999	1.6
127.03906	5.6
128.06215	1.5
129.07004	1.8
131.08583	5.5
133.10124	3.5
135.11682	1.7
143.08543	11.7
145.04967	5.2
145.10117	14.8
147.11685	34.0
149.13240	1.3
151.07527	1.3
153.05508	1.5
155.08577	3.2
157.10124	5.9
159.11687	15.3
161.09615	8.6
161.13257	2.3
167.10677	11.8
169.10127	4.0
171.11711	5.8
173.09566	2.3
173.13255	3.3
179.08466	1.2
181.04941	4.3
181.10086	3.4
183.11734	4.2
185.13289	4.7
187.11195	1.7
193.10149	3.1
195.11736	3.5
197.13240	7.1
199.14793	4.7
201.16364	2.1
207.11676	4.4
209.13284	3.0
211.14873	3.5
213.16347	5.8
219.11615	1.9
220.12486	1.9
221.13242	2.9
223.14777	7.9
225.12811	1.7
225.16434	4.8
234.13852	1.7
239.14354	2.4
239.17923	8.6
241.15866	2.6
249.16356	14.6
267.17401	35.1
285.18478	65.9
286.18875	2.2
287.20093	3.5
297.22183	4.3
303.19562	55.3
304.19980	2.0
315.23193	5.1
321.20642	11.9
338.37463	1.3
411.28976	3.5
415.36749	1.4
429.29999	3.8
447.30969	4.4
465.32117	100.0
466.32349	5.7
591.35388	2.8
627.37329	22.1
628.37866	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.3
55.01890	10.5
55.05515	50.5
57.03448	10.4
57.07083	2.4
62.24733	2.4
65.03944	4.9
67.05508	91.7
67.05862	5.0
69.03417	4.0
69.07066	31.1
70.58546	5.0
71.05016	9.9
77.03952	4.5
77.98335	2.5
79.05495	90.8
79.05930	4.9
81.03437	6.2
81.07059	88.1
83.04985	15.1
83.08623	30.0
85.06583	3.7
89.06062	4.7
91.05483	66.9
93.07047	92.9
94.88879	2.8
95.04975	63.5
95.08612	58.6
95.09203	3.2
97.06572	9.7
97.10194	10.2
99.04488	9.9
105.04565	8.6
105.07037	41.4
105.07728	2.5
107.04986	9.3
107.08605	59.3
109.06577	10.7
109.10172	27.6
111.04463	16.8
111.08139	7.3
117.07027	19.0
117.58736	2.6
119.08601	31.0
119.09318	2.8
121.06551	6.3
121.10146	38.3
123.08163	5.3
123.11742	7.3
125.09680	11.0
129.07068	6.6
131.08586	26.5
133.08643	3.7
133.10144	19.9
135.08070	3.4
135.11723	19.6
137.09784	3.2
139.11195	4.2
143.08536	4.5
145.10133	24.1
147.08089	4.6
147.11690	13.9
149.09631	27.4
149.13376	7.2
151.11214	3.0
153.12688	2.8
155.08582	3.4
157.10168	5.6
159.11690	15.4
161.09666	3.3
161.13336	7.0
163.11183	23.0
165.12769	3.9
169.10298	4.6
171.10397	3.4
171.11812	4.5
173.13332	8.2
175.14809	2.8
183.11702	3.3
185.13261	4.0
187.11284	2.6
187.14871	3.7
189.11324	11.2
205.12329	6.5
220.34706	2.8
223.13298	55.1
229.19672	3.6
239.18076	4.5
247.20854	3.9
251.93695	3.1
257.19147	8.8
261.22232	4.9
275.20068	55.8
275.22827	3.8
288.55283	2.9
293.21161	31.1
326.15479	2.6
331.23010	3.4
335.25824	14.2
349.23724	13.1
415.25363	4.2
609.45166	12.0
627.46326	100.0
628.46790	13.1
635.37012	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	628.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22020	0.7
58.63120	0.6
70.62670	1.0
77.77242	0.5
103.96923	0.5
111.08652	0.5
142.03618	0.6
164.92934	0.6
175.40198	0.7
305.63507	0.7
423.13455	0.6
437.14923	1.3
438.15567	1.2
439.17160	0.9
451.12991	0.8
452.17380	7.6
453.17206	1.0
465.14127	1.0
466.15002	4.4
467.20355	1.3
468.18881	0.6
469.18491	1.8
479.15829	1.0
480.16696	20.9
481.17191	5.0
482.16644	1.7
493.18097	0.8
494.18539	2.9
495.19077	32.6
496.19702	13.6
497.18204	3.1
499.16476	0.6
508.19949	1.1
509.19260	0.7
522.18024	0.8
523.18268	2.7
524.17786	1.0
525.20972	0.7
526.17230	3.1
527.18018	1.5
540.18854	7.7
541.17926	0.9
550.21039	0.9
555.21368	1.1
556.19861	2.5
568.21692	1.8
569.20947	0.7
597.20587	0.8
628.24048	100.0
629.23810	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	628.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79716	1.2
70.48752	1.7
70.49097	1.7
82.97749	1.2
84.04509	1.1
85.35511	1.1
86.09721	1.2
91.05493	1.8
93.21499	1.1
101.59100	1.1
106.04143	1.5
117.07051	4.1
123.04459	4.1
124.05219	1.5
144.59833	1.1
145.06461	6.2
146.98689	1.2
152.04642	1.5
155.06039	3.1
167.07040	100.0
168.07436	2.4
171.06511	1.5
173.05978	19.8
181.04948	21.3
181.06418	1.8
205.08606	3.9
233.08052	8.7
235.09723	3.8
387.14426	5.6
417.15448	82.6
418.15714	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	628.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
53.19751	2.2
55.01884	4.3
55.05517	12.4
56.34098	1.8
57.03444	2.9
60.47176	1.6
67.05511	16.9
68.90377	1.9
69.03429	11.5
69.07071	9.9
69.77311	2.8
73.02940	2.1
74.01683	1.9
79.05508	20.8
81.03427	10.3
81.07061	53.7
83.08627	4.3
85.02906	29.0
85.06551	5.9
87.00829	14.0
87.93867	1.8
91.05481	22.6
92.24144	1.6
93.07053	39.5
95.04993	3.4
95.08611	65.8
97.02885	9.5
97.06560	2.5
97.10155	4.1
98.02344	1.9
99.04469	5.2
99.08098	2.7
102.53130	1.7
105.01878	18.3
105.07033	40.9
107.08595	54.1
109.02891	8.5
109.06553	2.3
109.10165	31.0
111.08101	3.5
117.01872	2.4
117.07018	6.2
119.08589	33.1
121.10154	46.1
122.33930	1.9
123.08075	4.4
123.11741	11.7
127.03909	25.4
129.01823	2.5
129.07021	3.2
131.08588	17.4
133.10138	34.1
135.11705	32.3
136.06253	2.9
137.09651	6.2
137.13283	3.1
143.08585	11.0
145.05006	11.0
145.10132	22.9
147.11694	42.0
149.09605	4.0
149.13264	22.9
151.11182	4.1
157.10156	12.1
159.02925	7.6
159.11699	26.0
161.13268	29.8
163.11209	3.9
163.14877	14.3
165.12730	2.4
169.10202	2.8
171.11713	12.8
173.13246	25.0
175.14830	22.0
177.16411	28.2
179.14284	4.2
183.11696	5.5
185.13312	10.7
187.14830	18.8
189.04025	2.3
189.16370	27.6
197.13304	5.7
199.14807	16.2
199.53090	1.8
201.16367	21.0
203.17931	15.5
211.14877	3.6
213.16385	15.5
215.17986	4.8
225.16364	5.2
227.17982	5.5
231.05101	8.7
231.17413	4.0
239.17934	7.6
241.19666	2.5
245.19034	7.6
249.06110	4.3
253.19572	6.9
257.18982	3.3
281.22552	3.3
283.24228	100.0
284.24585	3.5
298.67825	2.1
301.25348	8.8
309.25772	81.5
310.26083	4.5
327.26840	62.5
328.27084	3.2
345.28030	2.3
381.25592	2.1
442.21317	2.0
508.28857	4.5
549.30725	3.1
575.32147	4.0
628.29633	3.0
628.39648	3.8
629.31317	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2245
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
63.85253	0.4
69.89863	0.5
69.90183	1.1
88.53496	0.4
97.94860	0.5
112.46352	0.5
124.54604	0.5
233.02185	0.5
272.96570	0.4
396.12134	1.1
397.12936	1.8
398.14078	1.3
399.14505	1.3
400.15356	1.3
409.13055	0.6
410.13855	2.3
411.14514	5.4
412.15314	5.1
413.16132	3.2
414.16437	0.8
423.14578	1.3
424.10751	0.8
424.15356	2.1
425.16248	12.5
426.16864	7.9
427.17572	2.8
428.18393	2.8
429.19290	0.7
437.16550	1.0
438.12268	2.7
439.13614	16.0
440.13684	1.7
440.19186	7.0
441.19293	33.2
442.19595	4.2
452.14120	2.6
453.15378	19.8
454.15778	6.0
455.16678	1.1
456.17993	1.6
458.19830	0.6
463.13831	1.1
465.15283	0.7
467.17175	22.9
468.17798	20.2
469.18686	12.8
470.19382	1.2
471.16693	1.5
481.14713	11.0
482.14801	2.5
483.15958	1.2
484.21820	2.7
485.18286	2.1
486.18918	1.0
495.16354	3.1
496.17096	14.7
497.17078	3.3
498.19153	0.8
499.19644	0.7
500.20566	3.8
501.21014	1.1
508.18008	0.5
509.17911	1.2
510.18161	0.8
512.20807	3.1
513.21747	5.4
514.22040	1.3
523.19495	1.9
525.21051	0.6
526.18542	0.7
527.19086	0.8
528.19836	2.0
537.19055	0.9
541.20862	33.4
542.21063	5.3
553.20813	0.9
554.17780	0.5
569.20294	100.0
570.20557	14.7
572.18781	0.6
573.23578	1.7
587.22449	0.6
597.19794	28.8
598.19995	4.0
600.22577	1.1
601.22968	11.3
602.22772	0.7
615.20886	1.1
629.22314	83.1
630.22626	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	629.2736
Annotation	Resiniferatoxin
Peak:m/z	Relative Intensity
51.64431	0.5
52.15718	0.5
60.28260	0.5
67.05498	0.9
69.07076	0.5
69.09760	1.6
69.10165	2.2
95.05045	0.7
95.08580	0.7
142.44917	0.5
289.19168	0.5
297.07654	0.6
297.11908	0.6
319.98990	0.6
427.85446	0.5
629.27356	100.0
629.47559	2.8
630.27667	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	629.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06603	11.8
59.07381	3.3
60.08167	25.9
71.05772	1.1
84.08157	2.2
86.09718	1.0
91.05479	10.2
93.07076	1.6
95.04970	2.2
96.08151	0.9
103.05465	12.4
104.06273	1.9
105.07020	7.2
105.07519	0.7
106.06613	1.5
107.04992	1.4
110.06065	1.2
117.07027	1.5
118.06541	1.3
119.04942	1.8
119.07304	4.1
120.08107	62.2
121.08391	1.2
123.04454	1.3
124.07632	1.3
130.06525	6.1
131.04924	23.9
132.08119	2.4
134.09622	1.8
135.06866	1.0
136.07603	3.5
144.08116	1.3
146.06024	3.4
148.07545	7.6
148.11223	4.7
160.07700	1.3
165.05482	1.8
168.81750	0.8
173.09669	3.5
175.08714	1.7
177.09103	9.0
177.10516	0.8
185.09688	1.0
188.07152	1.3
189.09154	2.7
190.12294	7.4
200.10715	7.5
202.12300	6.6
207.14938	5.9
208.07167	0.8
214.12213	4.3
215.13100	1.0
216.10266	1.2
219.10178	4.9
222.12733	4.2
228.10025	1.1
231.10226	2.9
236.12784	1.8
242.11896	1.5
248.12935	2.5
250.12387	1.2
257.12897	1.1
349.19019	1.2
365.86066	0.8
367.20096	1.0
377.76349	0.8
392.19662	1.8
393.67151	0.8
570.25885	16.6
571.26544	1.1
601.33807	19.0
602.34082	1.4
629.33325	100.0
630.33478	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.0
55.01858	2.0
61.02937	0.9
67.05471	1.0
67.97089	0.9
69.03426	4.4
69.26984	5.5
74.13118	1.0
78.04688	0.9
79.05506	6.1
81.03405	5.6
85.02901	8.9
91.03983	1.1
91.05475	3.0
92.55167	1.1
95.04948	4.0
97.02885	3.8
99.04445	0.9
103.05444	1.1
105.07047	1.2
107.04955	14.5
109.02846	1.0
111.85185	0.9
115.05467	2.6
116.06227	1.2
117.07029	6.9
121.06503	1.3
123.04417	4.8
124.05201	3.5
125.02442	0.9
125.05950	1.6
127.03914	1.8
128.06218	2.3
129.06992	2.3
131.04964	1.0
131.08574	3.8
133.06448	2.0
137.05960	1.6
141.06963	3.2
143.08603	1.7
144.05722	2.2
145.06494	11.6
149.05939	1.4
151.03918	1.4
151.07500	1.0
152.04724	2.7
153.06960	1.3
155.05997	2.5
155.07030	2.8
156.05702	6.5
157.06470	3.0
159.08047	5.9
161.05984	3.2
162.06665	1.0
167.07037	100.0
168.07352	1.5
170.07301	2.2
171.08005	3.1
173.05991	23.5
175.07506	1.5
177.05522	2.3
179.07074	2.2
181.04903	2.1
181.08661	7.5
184.05144	2.1
186.06738	1.8
186.35715	1.0
187.07544	9.3
190.06252	12.4
191.06781	1.3
193.08604	3.4
198.06892	1.1
199.07544	4.8
201.09053	1.3
202.06221	3.8
203.07059	2.8
203.10635	1.2
204.07878	1.6
205.08600	38.0
206.08939	1.3
207.06514	2.0
209.07990	2.0
215.07053	3.2
216.07867	2.0
217.08595	39.8
218.07149	1.3
219.08138	2.2
219.10161	5.5
223.09605	1.2
229.08577	2.9
231.08037	2.6
231.10146	28.8
233.09691	2.0
235.09564	9.5
235.58286	0.9
245.09567	1.7
247.07411	2.3
247.09631	12.7
248.08171	1.4
249.11227	2.4
256.44077	0.9
258.06894	1.0
261.09012	1.1
263.07080	1.4
263.10611	2.1
264.07874	2.7
265.08344	1.0
265.10745	12.3
269.07910	2.1
271.09680	2.4
276.07813	2.4
277.08502	1.8
278.09399	1.4
279.10098	3.2
281.07980	1.4
282.08716	1.1
289.08710	1.5
290.09296	2.1
291.10059	4.8
292.07230	2.5
293.07944	3.3
293.11368	1.4
295.09424	1.2
296.10428	1.2
299.08978	1.0
305.08167	1.0
306.08655	1.2
307.09680	4.0
308.10385	2.9
315.08484	6.4
319.09634	2.1
321.07492	1.4
321.11252	1.9
323.12811	2.5
330.10989	11.1
331.11594	3.8
336.09961	1.4
337.10706	2.9
339.12289	2.3
343.11856	2.1
350.11398	1.6
351.12036	4.7
352.12982	1.5
353.10001	2.9
353.13928	3.0
356.12619	1.0
368.12354	4.4
369.13120	1.6
371.14841	4.7
383.14868	41.4
384.15265	2.9
385.16476	29.3
401.15948	35.4
402.16064	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	630.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.3
57.03427	1.1
57.07079	33.8
59.05000	1.7
67.05509	17.1
68.05812	0.8
69.07064	3.0
71.04988	0.8
71.08633	25.1
73.06558	8.6
79.05499	5.0
81.07059	6.5
83.08625	3.7
85.09690	1.4
85.10182	19.6
87.04474	7.9
89.06033	100.0
90.06349	0.9
91.05492	3.8
91.07616	0.9
93.07049	4.7
95.04981	1.3
95.08624	4.0
97.10191	2.3
99.11729	3.5
105.07033	1.7
107.07056	2.4
107.08581	2.2
109.10168	11.2
113.13261	1.0
117.09127	7.7
119.08601	2.4
121.10136	1.9
123.24593	0.7
130.08655	2.0
131.07069	2.2
133.08607	50.7
135.10165	1.1
135.11691	0.9
145.10077	1.1
148.15092	0.7
148.16676	0.7
155.17990	4.0
161.11771	2.0
173.11760	1.5
175.09698	1.3
177.11220	23.1
179.14340	0.8
180.13867	1.0
184.07211	0.7
198.14951	1.1
199.20598	3.4
221.13867	4.5
239.14841	1.1
243.23164	10.5
265.16492	0.9
267.18323	0.8
283.17746	1.1
287.25787	6.1
304.26288	1.2
309.19193	0.8
327.20123	1.4
334.14111	0.7
357.43735	0.8
371.22571	1.1
415.25552	0.9
459.27905	3.4
489.35809	23.6
490.36346	2.0
525.40265	0.9
612.36450	1.7
613.44952	8.5
630.48230	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76841	0.4
52.98336	0.4
79.30291	0.4
94.93017	58.0
98.23440	0.4
112.89624	3.0
114.89350	1.7
116.89168	0.4
160.94066	0.7
161.94864	2.2
162.95436	0.4
174.89632	0.4
185.07353	0.4
202.89148	0.6
208.97292	1.0
212.85266	1.0
216.90721	0.9
218.92238	22.9
243.89516	0.5
244.90161	100.0
245.90540	1.1
268.92007	0.8
270.88095	0.9
284.89505	2.5
288.89133	65.0
289.89566	1.8
300.86780	2.9
310.87482	0.7
326.84616	1.1
328.84488	0.7
352.59610	0.4
381.07867	0.5
454.83008	0.7
520.80566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96633	0.3
56.96566	12.2
64.71239	0.3
67.05495	1.1
69.82998	1.1
69.83344	0.5
71.95257	0.7
72.96035	0.5
79.05515	0.5
81.07052	1.2
84.96027	0.4
91.05472	0.7
92.98690	0.3
93.07048	1.1
95.04993	0.5
95.08578	0.6
97.96793	2.0
98.97560	0.6
105.07037	0.7
109.10204	0.4
110.97530	3.0
111.75000	0.4
115.97832	1.4
116.98606	0.4
119.08479	0.4
123.01186	0.6
128.98593	4.3
137.02797	0.6
143.00130	0.5
146.99660	2.4
152.00153	0.5
155.03763	0.5
157.53159	0.4
161.01257	0.9
165.00681	0.5
170.01279	0.4
171.03343	1.1
175.02798	0.5
185.04829	0.5
189.04373	0.9
190.05125	1.0
201.04480	0.4
203.05865	0.7
204.06886	0.5
208.06268	0.6
209.04922	0.4
263.09644	1.1
270.92178	0.4
277.11008	2.1
278.11771	0.6
291.12671	0.6
315.16360	0.4
317.17841	35.6
318.18326	1.3
333.17273	1.9
335.18933	100.0
336.19202	3.1
353.19983	20.8
354.20367	0.8
358.20502	16.5
359.20929	0.7
371.21201	0.6
376.21527	2.3
378.19443	0.4
399.23358	0.5
428.51492	0.4
533.34332	0.5
595.40216	6.2
596.40216	0.8
631.33954	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	632.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01872	7.7
55.05508	5.6
57.03437	23.9
59.04988	2.5
61.02921	16.2
67.05494	5.9
68.71552	2.4
69.03432	41.5
69.07072	16.1
69.43578	12.0
71.01367	6.8
73.02921	100.0
73.03333	4.9
79.05495	21.8
81.03419	6.8
81.07060	34.1
83.08620	8.2
85.02903	94.4
87.04488	5.7
90.87387	2.5
91.03964	4.4
91.05486	4.0
93.07037	11.4
95.05002	3.6
95.08604	29.1
97.02892	75.8
97.06537	8.4
97.10201	4.3
98.22696	4.6
99.04453	7.0
103.03953	4.0
105.07034	19.7
107.04959	6.0
107.08609	16.8
109.02892	6.0
109.06528	6.3
109.10125	14.3
111.11714	4.4
111.63667	2.4
115.03931	47.2
119.08594	9.8
121.10181	4.6
123.11652	6.2
125.05988	52.1
127.03903	32.6
131.08604	2.8
133.04974	39.6
133.06516	6.8
133.10172	11.6
135.11789	3.3
137.05998	3.4
137.13268	3.2
143.08531	2.4
144.06644	3.0
145.04970	47.8
145.10126	5.8
147.07994	3.3
147.11722	8.3
149.13264	4.0
150.07693	4.1
151.07567	11.4
151.14832	17.9
159.11630	3.7
161.09630	10.8
163.06003	14.1
163.14845	2.4
165.16467	2.7
173.13242	2.9
175.11174	15.7
175.14816	3.2
179.10651	6.7
180.08711	2.9
185.13194	2.7
187.14764	4.4
189.12712	4.2
193.05133	3.2
193.12318	8.0
201.16403	3.5
203.14317	7.9
215.14346	2.9
221.15280	13.0
223.06052	5.0
241.07182	8.1
247.16960	4.9
257.22641	9.7
259.08182	10.1
267.21085	5.9
270.70096	2.3
277.09238	4.3
285.22144	39.4
294.11874	3.0
295.10272	5.9
303.23193	96.2
312.12848	3.2
312.83237	2.4
417.26291	9.2
434.49112	2.9
435.27271	4.6
571.30194	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	632.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20033	3.1
51.62474	3.7
53.03938	4.0
55.01879	14.6
55.05502	11.0
57.03439	22.2
57.07075	3.4
61.02927	18.7
65.81930	2.8
67.05497	11.2
69.03434	50.3
69.07061	32.0
69.90665	3.6
69.91017	9.3
70.06583	8.4
71.01353	6.2
73.02918	100.0
79.05495	39.4
81.03415	8.4
81.07058	45.4
83.08626	13.3
85.02905	100.0
87.04461	4.6
91.05484	17.3
93.07043	19.7
95.04956	4.2
95.08614	26.7
97.02892	82.3
97.03487	5.8
97.06527	12.7
97.10177	9.3
98.22805	4.2
99.04430	6.5
105.07024	30.8
107.04950	10.1
107.08595	11.4
109.02885	9.0
109.06528	5.3
109.10139	18.8
115.03928	51.5
117.07043	5.0
119.08566	20.9
121.10145	9.2
123.08076	3.6
123.11702	6.7
125.05992	95.2
125.13264	9.0
127.03910	32.2
131.08545	17.1
133.04977	43.2
133.06479	4.1
133.10135	26.1
134.10390	3.3
135.11679	4.3
137.05948	9.1
137.13261	4.6
143.08522	4.3
145.04962	36.8
145.10127	14.1
147.11687	22.2
149.13240	5.0
151.07529	6.5
151.14873	7.2
157.10129	4.2
159.11699	6.0
161.09618	59.5
161.13257	8.1
163.06018	18.0
165.38208	2.9
173.13269	10.6
175.11198	32.8
175.14781	7.8
177.09103	3.5
177.16417	3.4
177.45363	3.2
179.10675	36.0
187.14792	7.0
189.12798	4.0
193.12234	25.2
201.16385	7.5
203.14296	36.4
207.13864	3.2
215.12549	4.7
215.14499	3.9
219.13921	12.2
221.15379	37.2
223.05971	8.5
229.15901	5.3
241.07085	12.8
247.16928	5.5
250.68225	3.5
257.22589	18.9
259.08072	23.8
267.21234	6.7
277.09216	6.9
285.22137	91.0
286.22406	6.1
294.11633	4.1
295.10251	19.9
303.23178	43.3
312.13031	3.6
328.19373	3.1
365.19577	3.6
381.23880	2.9
389.26614	4.6
399.25168	6.6
417.26373	49.0
429.26315	3.8
435.27637	4.8
447.27106	4.8
462.07053	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	632.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95956	5.6
53.03948	5.5
53.72400	5.6
54.36535	5.0
55.05505	12.6
57.03434	27.3
57.07076	8.9
57.26687	5.7
60.42043	5.4
67.05510	15.3
67.29948	5.9
68.18031	5.7
69.03431	90.5
69.07063	36.9
69.44014	26.2
73.02927	21.9
79.05481	36.2
79.93854	6.9
81.07064	42.4
83.08614	16.6
85.02905	83.3
87.04456	51.4
91.05473	16.9
93.07044	17.3
95.08605	24.5
97.02344	7.5
97.02902	89.3
97.06526	15.2
97.10173	15.1
98.23445	13.7
105.07016	29.2
107.05003	11.3
107.08590	24.7
109.10150	20.5
115.03936	89.7
119.08573	23.5
121.10166	10.4
125.05979	95.0
127.03914	17.0
131.08504	8.3
133.04976	83.6
133.10141	24.0
137.05946	9.7
137.13303	7.8
145.04958	15.2
145.10188	13.9
147.11679	19.6
149.13208	7.4
159.11676	14.1
161.09642	57.4
161.13269	9.0
173.13286	7.1
175.11188	31.8
175.14920	13.9
179.10698	25.7
183.02495	7.0
193.12247	17.3
203.14311	41.8
219.13747	14.0
221.15366	58.2
243.20993	7.8
257.22665	26.9
259.08136	9.1
267.21106	10.4
285.22125	100.0
295.10214	13.3
303.23160	47.2
417.26379	31.3
447.27487	18.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.05502	7.4
57.03429	1.1
57.07065	1.8
59.04990	1.7
61.06382	0.7
65.03937	1.7
67.05505	65.8
69.03431	0.8
69.07067	8.4
71.04991	2.1
71.08618	1.2
79.05496	8.2
81.07061	28.3
83.08635	4.5
85.06536	1.7
88.61366	0.8
91.05479	7.1
93.07040	7.5
95.04966	1.6
95.08607	20.8
97.06522	1.2
105.07019	3.5
107.04974	1.0
107.08585	4.7
109.10161	41.8
111.08078	2.3
119.08601	4.4
121.10123	2.4
123.11702	3.2
133.10153	2.2
135.11707	1.3
137.09604	1.6
137.13292	0.8
145.10080	0.8
147.11702	1.0
149.13251	1.2
155.10663	2.0
161.57088	0.7
173.11748	6.8
176.83008	0.8
180.13849	3.8
198.14879	2.4
199.33607	0.8
229.14418	1.3
236.73869	0.8
263.23590	1.5
278.11536	2.4
306.28006	2.4
331.46838	0.9
337.27283	1.2
352.15189	4.0
414.79837	0.9
484.08392	0.9
491.37332	100.0
492.37683	7.1
614.38043	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	633.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08515	1.2
69.79295	3.1
70.06582	1.7
72.44878	1.0
74.24156	1.2
87.72082	1.2
95.01102	5.0
96.01884	2.0
103.31686	1.3
112.01376	2.7
113.02126	5.4
123.28889	1.1
126.02896	1.3
156.21634	1.1
157.04803	1.6
167.03166	1.4
173.13519	1.2
176.04485	1.8
177.05313	1.6
181.04964	1.3
185.04202	11.2
186.15794	1.1
192.37695	1.0
201.03694	10.6
203.03168	4.9
217.04713	5.1
219.06303	1.7
231.06183	7.6
232.06996	2.0
232.10632	1.1
246.05017	28.1
246.07602	1.6
247.05754	14.6
248.06598	3.2
249.07274	4.9
319.07852	1.3
379.10190	1.2
381.11340	1.5
393.11548	8.2
409.10974	11.0
410.11838	4.2
471.12656	75.2
472.13049	3.7
633.17798	100.0
634.18250	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	633.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58924	2.4
53.03957	4.4
55.01863	3.4
55.05508	13.9
56.86595	2.5
57.03424	2.7
57.07080	13.7
59.05003	3.5
65.03940	4.1
67.05508	21.9
69.03437	10.3
69.07070	9.2
71.05000	3.7
74.06850	2.4
79.05489	26.6
81.07053	33.7
83.04971	14.3
83.08624	6.8
85.02919	2.8
85.06535	7.4
91.05473	46.4
93.07045	54.5
95.04965	34.9
95.08614	30.5
97.06525	7.7
98.22643	6.8
103.05493	4.2
105.04535	3.9
105.07027	69.9
107.04936	5.4
107.08590	41.6
108.05710	4.2
109.06507	31.0
109.10170	11.7
109.19961	2.8
111.08097	6.2
115.05483	5.5
117.07033	20.0
119.08579	61.2
121.06525	9.4
121.10146	35.1
123.08065	28.6
123.11711	3.7
125.06011	9.5
125.09633	10.6
128.06247	12.6
129.06973	19.1
130.07813	4.6
131.08572	30.3
132.09286	2.7
133.06488	9.1
133.10132	30.5
134.33821	2.7
135.08069	19.9
135.11719	10.2
137.05939	4.9
137.09634	15.7
139.07597	3.5
139.11198	3.0
141.07028	7.9
142.07794	11.2
143.08574	31.4
144.09331	8.2
145.06494	5.6
145.10123	43.3
147.08043	32.8
147.11685	10.7
149.09576	14.2
151.07562	33.1
154.07800	7.1
155.08563	12.6
156.09352	9.7
157.10130	36.3
158.10965	6.2
159.08029	17.1
159.11690	25.0
160.08926	3.4
161.09627	21.8
161.13292	7.9
163.11183	19.5
165.07054	4.6
165.09105	51.3
166.07826	4.7
167.08585	5.8
167.10716	19.7
168.09409	7.3
169.10077	16.8
170.10930	5.1
171.08060	3.4
171.11731	18.2
173.09612	13.1
173.13258	16.0
174.10400	5.0
175.11224	11.5
177.09134	4.9
177.12660	4.4
179.08586	5.6
179.10759	3.6
180.09344	3.3
181.10175	10.1
181.12148	15.8
182.10918	3.2
183.08220	3.2
183.11690	27.3
185.09644	12.9
185.13319	9.0
187.11212	12.2
187.14877	3.5
189.12762	12.6
190.13559	5.8
191.10643	3.5
191.14354	5.2
193.10228	5.5
193.12102	3.5
195.11723	10.2
196.12482	4.1
197.09654	6.7
197.13284	13.6
198.10400	4.1
199.11209	11.5
199.14897	7.8
201.12761	9.9
203.10620	3.7
203.14304	18.2
206.11006	3.8
207.11723	9.5
207.13828	16.7
208.12598	3.9
208.14566	5.0
209.13239	10.4
209.15411	7.2
211.11189	10.1
211.14845	12.0
213.12766	8.1
213.16350	3.4
215.10683	3.9
215.14427	3.5
219.11852	3.3
219.13846	4.0
220.12456	4.6
221.13329	8.0
221.15350	100.0
223.14677	3.4
225.12856	5.4
225.16397	8.6
227.14169	3.4
230.13049	3.3
231.13736	3.2
233.13307	5.7
233.15451	10.2
234.16127	5.3
235.16902	4.0
237.14705	3.8
237.16736	3.2
239.14247	4.6
243.13853	4.6
247.16957	6.8
250.15791	3.3
253.15857	6.4
271.16959	17.0
277.63718	2.9
281.18903	5.1
285.18610	5.9
286.19247	68.6
287.20108	13.5
299.20142	19.0
311.20151	3.3
312.20752	6.9
313.21603	3.7
352.23953	7.4
365.24771	3.9
367.09839	2.8
393.24091	14.3
406.97443	2.8
435.29077	8.2
473.30804	4.1
493.32980	4.7
520.35638	4.6
536.35004	6.7
601.38452	3.4
615.40027	7.6
616.40637	3.5
633.41620	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	5.0
55.05514	26.2
57.07066	12.6
66.52100	3.6
66.98705	4.2
67.05505	37.9
69.03424	15.7
69.07072	23.1
71.05016	5.4
76.80038	5.1
79.05491	37.1
81.06702	3.8
81.07069	44.0
83.04989	25.5
83.08618	18.9
84.51044	4.4
85.02884	6.8
85.06541	15.8
90.01176	4.0
91.05479	55.6
93.07037	66.1
95.04967	44.0
95.08596	39.0
97.06525	18.3
97.10117	3.8
103.05470	4.9
105.04507	7.9
105.07025	100.0
107.05007	7.8
107.07925	5.8
107.08594	74.5
109.06508	26.3
109.10183	28.4
110.46191	3.8
111.08091	10.1
113.09634	7.1
115.05475	7.4
117.07059	23.1
119.08587	78.5
121.06533	14.5
121.10143	80.3
123.08075	41.5
123.11697	8.8
125.06003	12.2
125.09637	17.7
128.06244	15.2
129.06992	22.1
130.07816	5.6
131.08575	48.8
133.06433	7.5
133.10149	53.9
135.08026	26.2
135.11687	15.9
137.09628	13.1
139.11189	8.2
141.06947	6.5
142.07835	23.0
143.08551	42.7
144.09335	13.5
145.06516	8.5
145.10129	63.9
147.08038	23.0
147.11713	28.3
149.09608	23.3
149.13240	4.1
151.07529	20.5
153.06944	5.5
154.07729	4.8
155.08569	20.6
155.10681	14.9
156.09326	17.2
157.10107	59.5
158.10880	10.0
159.08070	22.9
159.11690	49.7
160.08900	6.2
161.09607	29.2
161.13272	13.8
163.11137	25.0
165.07018	4.5
165.09117	14.7
167.08551	7.6
167.10693	64.8
168.09279	7.1
169.10146	31.5
170.10918	6.8
171.11688	42.9
172.12392	4.7
173.09619	14.7
173.13252	20.6
175.11203	32.1
179.08580	10.5
180.09300	9.9
181.10083	17.9
181.12213	23.9
182.10918	9.4
183.11691	35.1
184.12491	4.7
185.09673	6.2
185.13280	22.7
187.11171	10.0
187.14818	9.3
189.12711	15.2
190.13570	5.5
191.10672	5.9
191.14314	9.6
193.10172	16.0
193.12259	28.4
194.10938	7.0
195.11737	25.0
196.12445	10.8
197.09636	6.9
197.13300	25.4
198.13965	7.0
199.11237	7.2
199.14757	13.5
201.12807	8.9
203.10629	4.2
203.14409	9.9
205.10110	5.8
206.10966	8.3
207.11687	15.1
207.13808	15.4
208.12340	8.0
209.13243	21.3
209.15186	7.7
211.11282	4.6
211.14836	17.9
212.12343	4.1
213.12785	11.7
215.14359	15.0
219.11691	7.4
219.13754	6.9
220.12500	5.0
221.09688	3.7
221.13246	14.4
221.15369	34.5
222.13960	4.9
223.11226	6.1
223.14828	16.8
225.12672	9.2
225.16429	9.7
227.14322	12.1
229.10069	6.5
229.15842	6.1
231.11584	5.3
231.13719	4.3
233.13263	8.5
233.15384	31.2
234.16124	6.6
235.14838	10.6
236.15540	6.6
237.12843	4.9
237.16444	10.7
243.17349	5.6
246.16180	4.9
247.14740	8.0
249.16385	11.5
253.15964	4.8
255.17439	17.5
259.14755	7.3
261.16397	9.8
263.18033	7.4
265.15921	6.0
267.17340	5.0
269.19061	8.9
273.18478	9.7
277.19431	6.3
281.18805	10.0
285.18524	8.0
286.19376	6.2
297.18442	5.7
299.20190	10.5
311.20074	8.1
313.21667	7.0
367.26587	4.6
406.15906	4.3
441.57275	5.1
600.41595	19.7
633.42004	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	634.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.4
55.01880	2.6
55.05511	7.3
58.40427	1.0
58.99588	9.5
67.05517	13.8
69.07082	3.6
69.18232	1.2
71.05009	1.3
71.08636	5.7
74.00667	2.5
76.02228	27.7
76.04019	1.9
79.05505	4.4
80.05067	1.4
81.03421	1.7
81.07059	7.1
82.06578	1.1
83.04986	1.3
83.06115	3.0
83.08618	4.2
84.04507	10.0
85.06562	1.1
86.99068	3.1
88.02236	1.7
91.05500	3.4
93.07055	4.2
95.04975	2.1
95.08622	7.6
97.01138	3.1
97.06550	1.8
97.10177	4.4
97.62505	1.0
99.08122	5.5
105.07041	3.0
106.06586	1.9
106.91122	1.0
107.04994	2.9
107.08598	4.5
109.10173	10.5
111.02685	3.2
111.08079	1.0
112.02224	3.8
113.00615	3.2
113.02958	1.5
113.57431	1.1
114.03790	2.2
116.01700	13.1
119.08607	2.8
123.02711	1.2
124.02190	1.5
124.11242	1.2
125.09644	4.8
126.03732	6.4
129.06601	1.8
130.05038	4.8
131.08609	1.1
133.10201	2.1
137.09601	2.1
137.27762	0.9
138.03761	1.5
138.12778	1.5
139.02206	1.4
139.05795	2.8
141.04813	1.5
142.03206	3.0
144.01160	4.6
145.06065	2.2
145.10161	1.3
149.09647	2.4
150.12781	1.3
155.05359	1.4
155.08139	1.5
158.10040	2.0
162.02211	11.5
163.11330	1.4
168.08459	6.6
169.09247	1.3
170.02675	1.9
170.10010	4.7
173.11755	3.4
177.03363	3.9
179.04880	11.6
181.06238	1.4
182.10016	7.9
183.08173	1.0
184.11581	3.6
185.03836	3.5
187.05449	2.8
189.11243	3.2
193.12167	1.5
194.10040	1.6
196.11597	1.2
212.11044	5.0
231.04309	7.5
233.05931	7.3
233.12550	1.1
237.02853	1.1
240.10458	1.1
245.19189	1.3
248.11105	2.0
250.12711	2.3
266.12320	1.9
268.13702	1.7
271.11227	1.4
273.12723	2.4
285.12662	17.4
291.19537	9.4
297.12784	2.0
305.15747	1.6
308.09128	6.0
309.20566	2.6
320.20129	1.1
321.18875	1.8
323.16727	8.2
331.17136	1.6
332.08206	1.1
338.21738	1.1
348.19870	9.3
349.18164	5.2
357.05609	1.1
366.21051	10.1
367.19342	14.9
384.22073	4.9
394.20496	1.6
405.22253	1.3
441.24286	1.5
451.22479	3.4
469.23730	21.3
487.24759	100.0
488.24744	3.0
559.27173	8.6
598.27771	4.1
616.28668	1.5
634.30182	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	635.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
70.07349	1.3
71.45628	1.2
79.61643	1.4
83.67612	1.3
86.32614	1.2
109.10168	1.6
153.67950	1.2
163.03865	2.1
177.05257	2.2
209.26991	1.3
243.46581	1.7
273.23245	1.3
323.16464	1.2
371.11090	1.6
395.11105	4.6
401.12051	4.9
409.77826	1.6
410.13269	22.8
411.14084	3.1
451.16382	1.9
605.19733	1.7
635.20978	100.0
636.21234	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	635.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
67.05508	0.5
68.38348	0.3
69.07042	0.5
69.13960	2.2
79.05482	1.1
81.07055	1.2
91.05459	0.7
95.08614	0.6
101.66624	0.4
105.07055	0.9
119.08558	0.4
125.05997	0.7
133.10097	0.5
145.10181	0.4
146.94490	0.3
151.07448	0.3
161.09651	0.5
209.80762	0.3
260.06876	0.3
264.28055	0.3
315.19290	24.8
316.19720	1.2
333.20337	17.7
334.20712	1.0
355.65939	0.3
365.18365	0.3
617.41711	18.9
618.42346	1.7
635.42749	100.0
636.43097	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	636.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94442	0.2
55.05521	0.2
56.05035	0.8
57.07068	0.3
58.06615	0.5
60.08167	6.4
61.83299	0.2
66.04471	0.2
67.05495	0.7
71.07376	3.4
71.08645	0.2
71.46215	0.2
79.05503	0.3
81.07064	0.3
84.23543	0.2
86.09708	31.7
87.06388	0.2
87.10029	0.4
91.05464	0.4
93.07059	0.3
95.08610	1.3
98.98461	3.1
104.10751	2.1
121.10171	0.2
125.00005	21.3
139.42227	0.2
143.01076	0.2
178.30069	0.2
184.07343	100.0
185.07616	1.3
189.26988	0.2
426.67178	0.2
496.33966	0.2
582.15143	0.2
636.42419	8.7
637.42627	0.7
653.54504	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27951	1.9
62.59618	1.5
68.00973	1.5
70.06587	3.4
70.13502	1.7
70.13821	3.4
84.04527	1.5
86.09679	3.4
97.06531	3.0
100.07692	1.3
125.48729	1.4
137.05966	3.1
151.03889	1.8
163.03877	2.7
202.72200	1.5
233.11859	2.4
278.94766	1.4
491.46140	1.7
577.15186	3.1
602.41895	1.5
637.18860	100.0
638.19092	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	637.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55771	0.4
62.78684	0.4
69.34724	1.2
69.35126	0.9
79.77494	0.4
89.24422	0.4
89.68979	0.4
90.33727	0.4
92.88940	0.4
134.70004	0.4
140.75877	0.4
155.47089	0.5
177.05544	0.5
184.07234	0.6
302.97452	0.4
368.79837	0.4
395.11142	1.2
410.13300	2.2
425.12186	1.5
440.14508	4.3
536.44849	0.5
611.79248	0.5
637.22510	100.0
638.22882	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38164	0.6
51.39703	0.5
55.05507	1.7
57.07070	3.1
67.05508	4.0
68.28565	0.6
69.07062	1.5
71.08618	1.4
79.05497	2.5
81.07056	3.3
82.24030	0.7
83.08633	1.8
85.10206	0.9
86.09708	1.4
91.05485	1.8
93.07048	2.1
95.05022	0.6
95.08642	3.3
105.07041	1.9
107.08569	1.1
109.10145	0.8
119.08580	0.7
121.10184	1.0
123.11711	0.9
135.59555	0.5
147.11685	1.0
161.09718	0.6
168.90469	0.6
169.32794	0.5
184.07373	3.5
237.10213	0.6
239.16353	0.9
313.27551	0.9
363.16226	0.7
374.16476	0.8
375.16241	0.9
377.17664	1.1
378.18378	1.7
384.15036	0.7
385.14886	0.8
387.15952	1.4
388.17197	0.8
389.17953	0.8
391.19360	3.2
392.20023	2.5
393.20840	2.7
399.16074	1.8
400.16974	2.3
401.17783	3.1
403.19617	1.0
405.20819	1.9
407.22473	6.2
408.22913	0.9
413.17990	2.2
414.18521	3.0
415.19354	6.7
416.20175	1.3
417.21146	1.3
419.18323	1.3
419.23065	0.9
420.18851	0.8
421.20120	5.0
427.19943	0.9
428.20068	1.9
429.21570	5.5
430.21671	2.5
431.18686	1.9
433.20581	0.9
434.21167	1.0
435.21521	4.6
436.22595	1.7
439.19415	0.7
441.16769	1.0
442.17618	1.5
443.18204	2.6
443.22614	2.6
444.18408	3.6
445.20193	2.8
446.21335	0.8
447.18390	2.6
453.21606	0.8
456.19473	1.4
457.20712	3.5
458.21246	4.1
459.17596	1.4
461.19809	2.8
462.20190	1.1
463.20889	1.3
471.22467	5.2
472.23096	4.1
473.19260	4.5
474.20566	2.0
475.21399	1.8
477.39471	5.4
478.39832	3.8
484.18790	1.2
485.19861	3.4
486.20612	4.1
487.21341	2.3
489.19260	2.2
489.23111	2.0
490.19254	3.4
491.20755	1.4
495.40591	5.1
496.40854	3.9
499.21436	7.5
500.21887	2.2
501.23044	1.2
503.20102	0.9
503.24484	2.1
513.19257	4.8
514.20544	0.8
516.21295	1.5
517.22327	11.5
518.23798	0.9
519.20288	1.0
521.25519	1.8
527.20807	2.8
528.21527	1.5
529.22662	1.1
531.24304	10.4
543.23779	1.1
544.21149	0.9
545.21722	1.3
549.24945	5.6
559.23389	54.5
560.23999	3.3
577.24219	1.6
578.24304	0.7
587.22852	10.8
588.23297	1.3
591.26013	4.2
605.24060	5.1
609.26672	1.1
619.25507	60.6
620.25952	2.8
637.26532	100.0
638.26978	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	637.2658
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
66.49703	0.3
132.07991	0.3
195.09036	0.5
207.09058	0.5
221.10648	0.6
247.12218	0.4
249.10098	0.6
263.11807	0.6
298.13040	0.4
299.36435	0.4
310.13098	0.6
324.14645	0.5
350.16992	0.4
360.14771	0.4
361.14923	0.4
363.16403	0.6
374.16656	0.5
376.17636	0.5
377.17557	0.7
378.18481	0.7
379.19388	0.5
385.14600	0.6
386.15375	1.0
387.15860	1.0
388.17667	0.7
390.18692	0.7
391.19391	1.5
392.19702	1.1
393.20868	2.5
397.14804	0.4
398.15451	0.4
399.16278	2.1
400.16962	2.7
401.17758	3.8
402.18561	1.0
403.19431	0.8
405.16568	0.4
405.21078	0.7
406.21423	0.5
407.22363	2.7
408.22336	0.4
410.16101	0.3
411.16287	0.5
412.16968	0.6
413.17783	2.9
414.18567	4.9
415.19312	9.6
416.15012	0.4
416.19739	1.5
417.20670	1.2
418.18689	1.0
419.18488	0.6
420.19455	0.8
421.20132	2.3
425.17737	1.4
427.19043	1.4
428.20532	3.9
429.15866	0.8
429.21304	8.4
430.22174	2.3
431.18179	0.4
435.21704	2.4
436.22244	1.0
439.19321	0.6
440.19940	0.4
441.16641	1.6
442.17172	1.7
443.18240	3.8
443.22589	4.5
444.18607	5.1
445.19968	3.1
446.21240	0.5
447.18015	1.1
455.18451	1.3
456.19858	1.7
457.20624	5.9
458.21027	5.9
459.17169	0.8
460.18701	0.5
461.19623	0.7
462.19730	0.4
469.16623	0.9
471.22272	8.5
472.23166	6.3
473.19366	5.3
474.20447	1.3
475.21381	1.0
484.18634	1.2
485.19995	3.2
486.20483	7.6
487.21323	3.2
488.21887	1.5
489.23526	1.8
490.19498	2.2
491.20459	0.7
499.21335	13.0
500.22659	4.4
501.22696	1.1
502.20026	1.0
503.24939	4.1
505.22220	0.4
513.19153	1.4
514.19891	1.5
516.21490	1.4
517.22229	4.9
521.25366	0.8
527.20917	3.3
528.21735	1.1
529.22241	0.4
530.22998	0.6
531.23926	14.1
532.24243	1.2
541.22015	0.5
543.23822	1.7
544.20325	0.7
545.22015	0.9
549.24896	1.3
559.23370	92.3
560.23724	8.1
587.22931	16.1
588.23169	1.3
605.23895	0.7
619.25494	100.0
620.25763	7.9
637.26520	15.0
638.26978	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2661
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
58.34319	0.6
59.28286	0.6
69.07074	0.9
71.10287	1.0
74.35011	0.6
74.50858	0.5
79.05486	0.7
81.07053	0.7
85.10178	0.7
91.05496	0.8
93.07064	0.8
105.07037	0.6
107.22112	0.6
119.08605	0.8
121.10236	0.8
168.87997	0.6
191.57353	0.6
225.02000	0.6
255.15671	0.6
266.16724	0.8
384.11383	0.6
389.17819	2.0
390.18750	0.8
401.17795	1.3
402.18301	0.7
403.19293	1.8
404.19919	1.4
405.21054	0.8
417.16602	1.6
417.21393	1.5
419.22409	1.9
429.17102	1.5
431.18677	2.1
433.16257	0.8
435.18323	0.8
444.19379	0.7
445.20163	4.7
446.21164	1.9
447.22150	1.1
449.20059	1.0
459.22028	1.1
461.16077	2.2
462.16452	0.8
463.21576	3.7
474.20496	0.8
475.17786	1.9
476.18640	2.3
477.19110	1.6
489.19318	2.3
490.19797	6.7
491.20786	7.5
492.21207	1.2
503.20581	3.2
504.21494	1.7
517.22424	2.6
533.25659	5.5
535.20038	1.7
545.22333	0.9
549.25183	1.6
577.24487	24.7
578.24921	1.8
593.27637	1.2
605.23883	1.4
637.26569	100.0
638.26947	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	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60953	0.7
67.05505	1.4
69.07073	1.4
79.05490	1.8
81.07068	3.1
86.09698	1.6
87.65160	0.8
93.07044	1.4
95.05019	1.9
104.10780	1.0
105.07065	2.4
107.08582	0.9
119.08564	1.2
121.10166	1.2
125.00020	0.8
131.08652	1.0
137.09743	0.8
145.10173	0.9
154.45573	0.7
184.07397	2.1
220.42235	0.9
234.51601	0.8
255.57039	0.7
275.20166	1.1
291.19617	1.4
293.21228	1.5
302.05969	0.8
375.17453	1.0
377.17587	1.0
387.16003	0.9
389.17853	1.1
391.19067	2.0
399.15970	1.8
400.16882	2.4
401.17758	4.4
403.19510	1.8
404.20224	1.0
405.21207	1.4
407.22430	1.5
413.17676	2.1
414.18521	2.7
415.19489	6.5
416.20715	1.2
418.18307	1.4
419.18033	1.6
419.22736	2.1
427.19376	1.8
428.19882	2.6
429.21475	4.2
430.21625	3.2
431.18921	2.2
439.19257	1.0
443.17645	1.3
443.22433	3.4
444.19241	4.8
445.20480	3.3
446.21246	1.7
447.17886	7.3
455.18814	1.3
456.20044	1.4
457.20193	2.4
458.20993	3.5
459.18057	1.3
461.19577	2.4
462.20749	4.4
468.19604	0.8
471.22360	8.3
472.23062	2.0
473.19791	3.5
474.20657	4.7
475.17950	2.3
475.22055	1.2
483.22235	1.0
485.19733	2.2
486.20358	4.8
487.21234	2.4
489.23322	7.8
490.19632	4.4
499.21304	20.8
500.18192	2.1
501.23456	6.1
502.19833	1.8
503.21011	3.5
507.23938	3.3
511.21625	1.3
513.19617	1.5
514.19781	1.9
516.21716	1.5
517.22388	18.4
517.30200	0.9
518.22131	1.2
527.20569	3.9
528.21667	1.1
529.22449	10.9
533.22021	1.0
535.23523	13.5
545.21893	46.2
546.22272	3.2
555.20465	1.7
559.23444	3.7
560.24060	1.2
563.22925	4.6
573.21252	13.5
587.23035	1.0
605.23950	100.0
606.24475	5.6
619.25702	2.9
636.41473	1.1
637.26587	71.9
637.38281	2.4
638.26971	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97046	1.2
67.05504	2.5
69.55228	4.7
79.05461	1.4
81.03440	1.6
81.07043	1.9
86.09715	1.5
90.20503	1.1
95.08630	2.0
98.23484	1.9
105.56828	1.3
184.07416	4.4
254.22574	1.4
332.56879	1.4
375.16922	1.5
377.17905	1.3
386.15466	1.7
391.19287	2.7
399.16116	1.7
400.16888	1.7
401.17920	2.6
402.19080	1.3
403.19046	2.2
407.22318	1.6
413.17606	2.9
414.18341	3.6
415.19476	7.7
416.20068	2.0
427.19162	2.2
428.20071	2.7
429.21506	2.6
430.21579	3.7
431.18399	2.1
433.19897	1.9
434.21194	2.0
441.17609	2.0
443.17984	2.7
443.23166	2.7
444.19659	4.6
445.20386	2.9
446.21719	2.0
447.17535	6.1
455.18900	2.0
456.19571	1.4
458.21323	2.9
459.18167	3.1
461.19138	2.4
462.20410	3.1
471.22296	6.9
472.18741	1.9
473.19339	2.6
474.20871	3.3
475.17792	4.4
485.19553	1.7
486.20630	5.6
487.21402	2.1
489.22977	4.2
490.19656	6.8
499.21344	19.1
500.21741	2.2
501.22852	5.7
501.34799	2.0
503.20938	2.5
507.23889	1.8
517.22375	15.6
527.20966	4.4
529.22369	8.3
535.23468	8.3
545.21887	43.6
546.22620	2.6
559.23541	2.4
563.22949	4.5
573.21478	10.9
577.24188	2.0
605.23981	100.0
606.24158	6.9
637.26691	66.4
637.37378	2.1
638.27234	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	637.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30257	1.8
64.54133	1.7
70.31103	2.3
77.18391	1.6
82.10464	1.7
138.36021	2.2
271.90482	1.9
391.19427	5.0
400.16959	3.7
401.18030	2.2
405.20700	5.0
406.21265	4.3
409.51663	1.9
413.17883	2.2
414.18500	4.4
415.19141	6.0
417.20679	2.6
419.22394	4.0
420.23154	7.0
421.23877	16.8
428.20096	3.3
429.20847	13.6
430.21564	5.4
431.18640	2.1
433.24268	4.2
434.24643	3.6
443.22430	10.9
444.23212	3.5
445.20190	3.7
457.24606	3.6
458.24796	6.2
459.21887	7.2
460.22452	6.7
461.19235	8.5
471.22226	2.4
472.22809	7.3
473.23935	2.5
475.21329	2.7
476.22055	8.7
485.23459	17.6
486.24640	4.8
487.21133	2.9
488.22226	5.1
500.21466	2.2
502.23792	3.1
503.24561	20.0
513.23511	2.8
517.26111	6.8
535.27094	23.6
545.25446	69.8
545.33624	3.6
546.25885	7.0
563.26843	7.1
573.25134	22.1
574.25458	2.0
605.27594	62.1
606.28040	5.2
637.30133	100.0
638.30444	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	637.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07084	0.5
69.64044	0.4
69.89611	1.1
69.89949	0.4
79.05492	0.6
79.48499	0.4
81.07075	0.8
91.05494	0.5
92.75787	0.4
107.08611	0.5
109.10176	0.4
114.09162	0.5
115.13297	0.4
119.04949	1.3
125.46331	0.4
147.04395	3.1
155.03105	0.6
163.03972	1.1
185.04236	0.5
229.06863	3.8
263.78351	0.5
299.07434	0.5
317.08429	51.0
318.08795	1.7
343.22232	2.7
346.52435	0.5
637.31940	100.0
638.32446	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	637.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74186	0.7
51.51110	0.7
66.13630	0.8
69.49356	3.2
98.22736	1.0
100.11276	1.5
103.22366	0.7
106.94070	0.8
122.95588	0.7
139.04117	0.8
229.06851	1.2
317.08423	31.8
343.22394	3.9
532.42407	0.8
540.98120	0.8
637.31958	100.0
638.32294	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	638.4394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01884	1.0
55.05256	1.1
55.05512	14.9
57.03442	1.1
57.07076	19.9
67.05505	10.3
69.07069	18.1
69.07449	1.0
69.38971	3.1
69.71493	0.6
70.19807	0.6
71.04993	1.7
71.08632	14.1
71.46532	0.5
79.05479	4.3
81.07055	15.1
83.04976	1.3
83.08618	19.8
85.06558	1.7
85.10181	7.7
86.39536	0.7
87.78031	0.5
91.05488	1.2
93.07044	6.5
95.05006	0.9
95.08607	15.1
97.06539	4.3
97.10176	6.4
98.98477	1.1
107.08586	6.5
107.63275	0.5
109.10157	7.3
109.55154	0.5
111.08089	3.4
111.11702	0.7
121.10114	3.0
123.11705	2.6
125.09627	1.2
125.13213	0.7
137.13312	0.8
149.13240	9.1
149.69579	0.6
155.01062	1.6
167.14284	4.4
185.15361	1.8
191.68713	0.6
193.87241	0.6
228.19582	5.0
239.23779	2.4
241.17986	14.0
259.19128	2.3
277.21997	0.6
282.27908	1.3
303.31583	0.6
305.92416	0.7
308.24969	0.6
313.27371	3.5
393.24582	0.7
497.42014	100.0
498.42352	8.4
500.21289	0.7
501.52469	0.7
550.25293	0.6
560.23297	3.1
561.24353	1.0
588.22894	1.6
620.25787	4.3
621.26324	0.9
638.27112	6.1
639.27399	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11137	0.1
55.05508	1.0
55.05736	0.2
55.32802	0.2
56.05026	0.6
57.07084	1.3
58.06619	0.5
60.08166	5.8
61.63928	0.1
67.05502	1.6
69.07063	0.7
70.06584	0.2
71.04987	0.8
71.07378	2.9
71.08624	1.1
71.47624	0.2
77.73499	0.2
79.05494	1.1
81.03402	0.2
81.07058	1.3
83.04966	0.3
83.08614	0.6
85.10189	0.4
86.09707	30.5
87.10016	0.3
91.05478	0.8
93.07035	1.5
95.04938	0.3
95.08615	1.6
97.06542	0.3
97.10176	0.6
98.98467	3.1
104.10747	2.4
105.07036	0.5
107.04937	0.2
107.08585	1.0
109.06523	0.2
109.10151	0.6
119.08604	0.3
121.10128	0.8
125.00005	21.0
125.09641	0.3
126.66289	0.2
127.11285	0.1
129.06940	0.2
131.08549	0.4
133.10109	0.3
135.08057	0.2
137.09601	0.2
139.11169	0.5
143.01007	0.2
145.10005	0.1
147.11722	0.2
149.09660	0.4
151.11195	0.2
166.59503	0.1
184.07344	100.0
185.07729	1.0
186.68156	0.2
228.15942	0.3
277.21747	0.3
282.28055	0.2
291.19650	0.6
293.21271	0.4
295.22693	0.2
313.27451	0.3
347.23874	0.1
364.26624	0.1
408.73764	0.2
497.38379	5.8
497.45493	0.3
498.38586	0.4
589.84552	0.1
599.09106	0.2
620.38971	0.3
638.43939	7.4
639.43921	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67339	0.4
59.37000	0.3
70.63107	0.8
106.87117	0.4
111.30876	0.4
114.20570	0.4
132.09805	0.4
134.06525	0.4
214.58279	0.4
319.10455	0.4
427.16974	0.5
477.17920	1.0
532.85406	0.5
639.23132	100.0
640.23444	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	639.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47337	0.4
119.04951	0.5
213.81194	0.4
215.52824	0.4
263.96771	0.5
396.56635	0.4
477.18250	1.5
639.23169	100.0
640.23407	6.8
640.33105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
69.41333	2.0
73.87704	0.4
81.24941	0.5
90.84719	0.5
98.22720	0.9
105.79851	0.5
121.06560	0.7
129.11221	0.4
133.06558	0.5
137.06078	0.7
145.01649	0.4
169.00867	0.6
192.07820	0.6
205.04822	1.3
233.11836	0.7
250.14661	0.5
291.13287	0.4
293.08179	0.5
353.10162	0.7
449.02469	0.5
639.23175	100.0
640.23505	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	639.2816
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.47468	0.9
55.77736	0.8
77.37314	0.7
77.61504	0.7
84.58992	0.7
89.80590	0.7
104.54338	0.8
159.63889	0.8
167.59860	0.7
216.00853	0.7
377.17841	1.2
378.19098	1.1
391.19183	3.2
392.19888	1.9
393.21161	0.9
405.20703	5.7
406.16650	0.8
406.21704	3.2
407.22409	7.5
419.22437	3.9
420.23087	2.5
421.23962	8.6
422.24701	2.1
433.24045	2.5
434.24487	1.3
435.18298	1.3
445.20074	1.1
449.19662	1.3
450.20432	1.3
451.21127	7.0
452.22122	1.3
461.23611	0.9
465.22998	9.3
466.23724	1.0
487.21173	1.3
493.26358	0.9
503.24280	5.1
507.27817	6.2
508.28207	2.4
523.23267	2.3
535.27167	8.8
536.27789	1.6
537.25189	4.6
551.26660	3.2
552.27338	19.7
561.24927	1.9
579.25958	6.4
580.26807	2.6
595.29138	7.9
621.26923	14.6
622.27100	2.1
639.28143	100.0
640.28687	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	639.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13908	4.8
61.48899	3.9
70.53244	3.9
71.46363	5.7
72.17722	4.0
107.08578	4.3
265.60052	4.8
305.72449	4.3
405.20789	9.7
419.22308	10.5
420.22873	6.9
449.19406	9.5
463.21237	6.3
464.21866	5.0
465.22913	9.1
478.23425	8.1
479.24643	30.5
493.25882	23.7
523.23181	8.6
537.25006	29.5
547.23322	7.4
551.26587	19.2
552.19397	7.3
552.27209	82.7
553.27893	6.3
607.25482	9.3
639.28113	100.0
640.27765	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	639.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68110	0.7
67.05515	2.0
69.07087	0.7
79.05496	2.8
81.07064	1.8
87.86765	0.7
93.07054	0.9
95.08622	1.2
105.07045	1.4
118.06548	1.4
119.08606	1.0
134.06032	2.2
145.10168	0.9
159.09196	0.9
172.03976	1.5
196.09918	1.0
197.10735	1.3
204.06639	1.1
207.09213	1.3
209.10796	2.3
210.11522	1.7
211.12335	1.6
221.10806	1.6
222.11565	1.0
222.99876	0.8
223.12216	4.1
224.13147	1.5
225.13855	5.2
226.14705	1.6
235.08687	1.5
235.12419	2.0
237.10359	2.5
237.13777	4.6
247.12245	0.9
249.10332	3.9
249.13913	2.3
250.11256	1.2
251.08223	1.8
251.11873	1.8
257.25604	0.7
265.09808	1.0
265.13309	1.3
269.12949	1.8
274.14581	0.9
277.09784	1.7
300.14932	0.9
325.11938	1.0
326.12988	1.3
330.12198	1.0
337.11868	2.5
338.12952	2.2
339.13562	1.6
339.17249	0.9
340.14349	1.6
341.15253	0.8
344.13989	0.9
351.13544	1.0
352.14600	1.6
356.14026	1.1
366.12073	1.0
366.16187	1.2
368.17581	1.3
375.16452	0.8
379.19196	0.8
384.16974	0.9
397.14456	0.9
401.18024	0.9
414.15027	1.2
415.15479	1.7
416.15875	1.7
417.17245	2.4
418.17645	1.3
424.26904	0.9
428.17264	1.0
429.17380	1.4
430.17880	1.8
431.18466	5.2
432.19379	2.5
433.20615	1.1
443.18726	2.7
444.19363	2.8
445.20605	4.6
446.20987	5.8
447.21658	6.0
450.20450	0.9
459.17276	1.5
459.22540	1.7
460.22391	1.1
461.23764	1.2
472.18686	2.3
473.24115	1.5
474.20456	3.3
475.21448	3.2
487.21594	7.6
488.22021	1.1
489.23260	1.2
493.22391	1.1
500.18558	1.0
501.23230	3.7
502.19116	0.9
505.22440	1.8
506.23322	2.1
515.21100	2.1
519.24280	3.9
529.22125	2.0
532.21027	1.0
534.22437	1.7
547.23389	16.1
548.24072	2.6
557.21484	1.0
561.24896	13.9
575.22791	3.8
579.25433	1.1
589.24487	2.7
596.26239	2.1
597.26825	1.0
607.25494	100.0
608.25897	9.1
621.27161	23.0
622.27618	1.6
639.27893	6.5
639.39923	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	639.2813
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
55.59229	0.3
67.05487	0.3
79.05497	0.3
81.07068	0.5
91.05467	0.3
94.06571	0.4
98.22605	0.4
133.71841	0.2
140.90373	0.3
146.05969	0.3
162.85074	0.2
199.08565	0.3
204.06700	0.5
209.10782	0.4
211.08582	0.3
223.08650	0.5
225.10361	0.4
226.11057	0.4
227.11794	0.4
237.10362	0.4
239.11806	0.5
249.10103	0.3
251.11888	0.3
253.13530	0.3
298.13361	0.3
300.15146	0.3
314.13037	0.4
314.16495	0.3
326.16583	0.3
327.13663	0.4
342.12598	0.4
342.16205	0.3
354.15936	0.3
379.19165	0.5
388.16531	0.3
389.17838	0.3
391.15442	0.6
392.16382	0.7
393.17004	0.8
393.21021	0.8
395.22894	0.3
403.15231	0.4
405.17300	0.8
406.17798	0.9
407.18716	2.2
408.19705	0.4
417.17014	0.5
418.17926	0.5
419.14835	0.9
419.19458	1.1
420.15372	0.7
420.19702	0.7
421.20447	4.5
422.20972	1.8
423.21674	0.9
430.17020	0.3
431.19421	0.5
433.21362	1.4
434.17432	1.1
434.22110	0.4
435.17291	2.9
435.58466	0.2
436.22922	2.7
437.23267	0.4
445.15768	0.4
446.17371	0.3
447.22806	1.4
448.18692	2.7
449.19571	10.0
450.20261	3.3
451.21307	0.5
459.18292	1.1
460.18857	0.6
461.19931	1.6
462.20294	0.8
463.21674	5.3
464.22107	5.6
465.22919	1.5
473.19492	0.4
474.20319	0.8
475.21521	2.3
476.18042	0.3
476.22180	0.5
477.18701	5.7
478.19534	2.0
479.20648	0.9
481.22110	0.3
490.20123	0.4
491.20172	1.3
492.21429	1.3
493.22363	0.8
495.23969	1.1
503.20935	0.4
504.21500	0.3
505.22797	0.7
507.23907	1.1
508.24564	0.3
509.21414	0.3
509.26041	0.4
519.24054	0.4
521.21967	0.8
523.23053	2.7
524.23511	0.4
533.21167	1.2
534.70483	0.3
535.23914	3.4
536.24078	1.4
537.22504	1.1
538.21576	0.3
547.23383	0.6
549.21069	0.4
550.25610	1.5
551.26569	3.8
552.26355	0.3
561.24969	4.5
562.25482	0.5
563.22986	0.8
564.23657	5.2
565.24304	3.4
567.26324	0.5
578.24805	0.5
579.25946	6.7
580.26489	0.5
581.23810	0.8
582.24152	0.4
592.23187	0.8
593.26654	0.5
595.25360	2.9
596.25787	1.4
597.26599	1.0
607.25366	0.8
610.27673	0.9
611.28809	0.5
621.27142	4.1
622.26904	0.9
624.25800	4.8
625.26624	0.5
639.28101	100.0
640.28406	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	639.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.90439	0.7
67.05497	0.5
69.07084	0.5
69.46313	2.3
74.65891	0.5
81.07076	1.0
112.87966	0.5
122.09643	0.7
128.97827	0.6
132.08115	0.8
158.06123	0.9
196.09874	0.8
197.10771	0.8
209.10693	1.4
210.11536	1.3
211.08815	0.6
211.12393	1.3
212.12950	0.5
213.06689	0.8
220.09837	0.9
221.10728	2.4
222.11389	1.1
223.12326	3.4
224.13054	1.1
225.06541	1.3
225.13901	2.1
232.09692	0.7
233.10701	0.8
234.11494	1.1
235.12218	2.7
236.13110	2.3
237.13795	3.2
238.14656	2.5
239.15453	1.8
246.11542	0.9
247.12279	1.0
249.10287	1.1
249.13928	2.6
250.14633	1.5
251.11795	1.8
251.15404	3.6
252.16083	0.8
253.16945	0.8
259.12125	0.6
261.13913	3.3
262.14752	1.1
263.15607	0.7
264.12463	1.1
271.10675	0.6
273.13803	0.7
274.13318	0.7
275.15317	0.9
277.13498	1.0
279.14929	2.2
299.10297	2.2
299.13638	0.5
312.14874	1.2
314.16525	1.0
316.18103	0.7
340.18109	0.6
349.15543	0.8
363.17368	1.3
365.18338	0.6
367.19821	0.8
377.17599	1.1
378.19193	1.0
379.19440	2.7
389.17313	0.7
392.16507	0.8
392.21210	0.9
393.16943	1.1
393.21246	1.1
395.18961	0.8
403.18906	0.7
405.17203	0.9
407.18567	4.1
409.19995	2.1
410.20706	2.1
417.17014	1.0
418.18271	0.7
419.18878	1.2
421.20557	1.8
422.21140	3.6
423.21185	2.5
424.20926	0.7
431.18732	0.9
434.17126	1.0
435.17349	1.5
435.21982	1.9
436.18930	1.0
445.20361	1.1
449.19437	1.7
450.20532	2.4
451.21158	2.5
452.22821	0.7
459.17868	0.8
463.21637	0.9
464.22766	1.1
467.20786	1.7
468.22073	0.9
473.19241	0.9
475.21384	0.8
477.18927	1.0
478.20181	1.5
479.20816	1.2
481.21603	1.0
481.26825	1.0
482.22717	1.0
483.24170	1.1
491.21127	1.0
492.21964	1.1
493.22049	1.6
494.23569	1.8
495.23920	1.1
496.24548	2.3
505.22134	1.7
506.22891	0.6
509.18384	1.0
509.25549	18.7
510.25742	2.0
519.23859	1.9
521.22205	1.3
522.22595	1.7
535.27228	1.2
536.24091	1.2
537.25189	12.9
538.25250	1.6
541.28668	1.1
547.22791	1.3
551.26599	4.8
552.25403	0.7
563.25574	1.2
565.24426	10.9
566.24670	1.0
567.29297	1.8
569.27570	16.4
570.27936	1.2
579.26270	3.9
595.29108	0.9
596.26642	2.8
597.27063	100.0
598.27130	7.0
607.25269	7.0
611.28601	13.2
612.28851	1.3
621.27490	3.9
622.27484	1.1
639.28278	29.3
639.39636	3.0
640.28088	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
57.03461	1.9
67.05507	4.2
69.07057	1.3
70.62529	2.3
79.05515	3.8
81.07069	3.3
91.05515	2.8
93.07056	4.4
105.07050	1.8
109.10168	1.6
116.05013	1.5
119.08584	2.9
120.04498	2.7
120.08098	8.6
122.09661	2.1
144.04422	1.5
145.10133	1.3
146.06041	2.3
146.09848	1.2
148.07600	2.5
150.09171	2.2
153.09161	1.1
172.03926	7.1
187.08820	1.5
190.05002	2.5
204.06555	8.5
211.08899	1.6
223.12404	2.6
225.10349	3.1
227.11850	5.2
235.08650	1.8
236.09525	1.4
237.10281	3.1
239.11816	1.3
249.10191	6.4
251.11925	4.3
253.09866	1.4
253.13461	3.4
260.94214	1.5
275.20267	2.0
277.09839	3.4
279.11404	2.9
285.12442	3.9
299.14072	1.8
311.14066	3.2
314.13129	2.9
325.12134	1.8
326.12875	2.8
327.14111	1.6
328.14664	3.2
328.72800	1.3
338.13364	1.4
339.13919	3.3
340.10876	1.8
340.14630	2.9
341.15540	2.0
342.12457	5.3
342.16275	3.3
343.13074	1.8
355.13220	1.7
356.14005	5.1
357.14594	3.1
358.15265	1.6
366.16370	1.7
368.14020	2.9
369.14893	2.6
370.15625	5.7
382.11407	1.9
382.15741	2.7
383.16415	2.1
384.17059	5.8
385.17801	2.1
396.13419	2.2
398.14841	2.6
412.16769	2.8
413.17398	1.8
419.14722	2.7
426.18423	3.0
430.17746	2.4
435.18082	2.6
442.17865	2.3
444.19171	12.6
447.18317	2.1
449.19882	4.2
463.21786	1.7
464.21649	1.6
470.17239	4.2
472.19040	2.5
502.19702	1.5
547.23254	2.4
551.26563	14.7
565.24695	2.4
579.25867	12.4
580.26617	1.5
592.94537	1.6
597.26929	8.6
607.25238	8.6
611.28650	58.8
612.29498	1.6
621.41486	2.5
639.28180	100.0
639.39606	7.1
640.28723	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	639.2813
Annotation	Moluccensin G
Peak:m/z	Relative Intensity
52.67033	0.6
55.05526	0.9
58.74208	0.6
60.43203	0.6
66.73852	0.6
67.05500	1.8
69.42149	1.4
69.42545	2.1
75.03886	0.6
79.05489	1.6
81.07092	1.0
84.34471	0.6
91.05495	1.3
93.07053	1.4
95.08601	0.9
98.22648	1.2
105.07031	1.5
107.04907	0.7
151.11191	0.8
177.08829	0.9
185.10683	0.7
195.09332	0.9
209.10728	1.0
223.12285	2.1
224.12936	0.8
225.10326	0.7
225.13692	0.7
235.12352	0.8
236.13136	0.8
237.13895	2.0
238.14677	3.9
249.13870	1.2
251.15465	1.1
261.13654	0.7
263.14413	0.8
277.21646	0.8
291.19373	0.7
338.12640	0.7
376.16830	1.1
377.17841	0.7
378.18149	0.7
388.17291	0.6
389.17783	1.4
390.18753	1.0
391.19061	2.6
392.20007	0.9
393.20880	1.0
401.17722	1.1
403.19229	2.2
404.20224	1.2
405.16476	1.2
405.20804	2.1
407.18036	1.6
407.22440	2.2
416.20218	1.1
417.16446	0.9
417.21262	1.0
418.17538	1.1
419.18063	3.2
419.23267	1.2
420.23291	1.1
421.20474	3.3
422.20663	1.0
423.21970	0.9
429.16742	1.0
430.21954	0.9
431.18610	2.7
432.19186	1.8
433.20236	5.7
434.20880	2.5
435.22424	4.7
443.18481	1.6
444.19296	1.7
445.20224	2.9
446.20834	2.4
447.21689	2.2
449.19711	6.0
450.20468	2.0
451.21103	0.8
457.16193	1.3
458.21301	1.3
459.22006	1.3
460.23184	3.1
461.23151	2.6
462.20645	1.0
463.21176	2.6
464.22305	3.5
465.22342	1.4
471.17969	0.7
472.18671	0.9
473.23724	13.8
474.20309	1.3
474.24289	0.8
475.25168	2.0
479.25458	3.2
485.23019	0.9
486.20407	1.5
487.21399	2.0
488.22006	3.5
489.22681	2.5
491.20303	1.8
492.21570	2.3
493.21796	3.5
501.23099	6.5
502.18726	0.8
503.24750	4.6
504.24753	0.8
505.22229	3.0
506.22989	0.8
507.23932	17.7
508.24567	1.4
509.25241	2.5
519.23993	3.5
520.24023	2.3
521.25989	5.8
529.22302	1.9
531.23816	6.1
533.21844	2.0
535.23224	0.8
537.24292	2.1
547.23578	3.8
548.24384	3.6
551.26355	1.9
557.21692	2.0
561.24536	1.1
564.23761	1.0
565.24225	2.2
569.27454	2.0
575.22961	20.1
576.22888	2.0
579.26001	20.2
580.25903	1.6
581.27289	1.3
597.26984	11.2
607.25482	100.0
608.25873	8.5
611.28827	1.0
621.27002	3.1
621.38574	0.8
639.28229	91.8
639.39526	9.3
640.28345	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26836	0.9
69.25355	3.7
81.07045	1.0
95.08630	1.6
107.08591	1.1
118.14857	0.8
119.08586	0.8
137.05936	1.1
138.06360	0.9
209.10660	0.9
222.11375	0.8
223.12263	1.8
224.13101	1.0
235.08582	0.8
235.21309	0.8
237.13895	1.8
238.14558	4.3
239.15349	1.4
251.15453	1.6
275.15317	1.0
313.27454	1.3
372.93625	0.9
389.17792	1.2
391.19305	1.2
405.20749	1.1
417.16498	1.1
417.21283	1.5
420.23038	1.3
431.18597	3.1
432.19336	1.1
443.18466	2.0
444.19305	1.4
445.19818	2.3
446.20911	2.4
447.22159	1.1
448.22281	1.4
449.19446	1.2
458.21185	1.9
459.21783	2.9
460.22250	2.6
461.23251	2.6
463.20926	2.2
464.22220	2.2
469.19919	0.9
472.18417	1.1
473.23807	13.3
474.20355	1.1
474.23965	1.4
475.25351	1.8
479.24359	3.8
486.21152	1.1
488.22012	3.0
489.22556	3.1
501.22900	6.2
503.24701	4.9
505.22549	1.4
507.23953	18.3
508.23929	1.8
509.25165	2.7
519.23560	2.7
529.22345	2.1
531.24054	6.5
533.22003	2.8
537.24896	2.5
547.23151	3.0
548.24646	4.4
557.21295	1.7
561.24219	1.4
565.24823	1.3
569.27826	1.7
575.22882	19.4
576.23816	1.5
579.25232	2.3
597.27057	9.4
607.25500	100.0
608.25958	8.3
611.28271	1.3
621.26855	3.1
639.27985	23.5
640.27374	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	639.2817
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
54.56692	0.5
55.05521	1.6
55.98047	0.6
57.03434	0.7
63.11498	0.6
67.05502	2.9
71.46425	0.6
73.92353	0.5
79.05499	3.3
81.07059	3.7
83.08640	0.7
91.05492	3.2
93.07056	2.1
93.48535	0.5
94.06584	1.5
95.04990	1.2
95.08629	1.1
103.05540	0.7
105.07053	2.4
107.07355	0.7
107.08559	1.3
108.08140	2.0
109.06512	1.4
109.10178	1.2
117.07037	1.3
119.08607	1.4
120.04490	2.0
120.08096	8.0
122.09688	1.5
126.76073	0.6
131.08594	0.9
133.10155	1.3
135.11754	0.7
136.07619	0.6
137.09602	0.7
144.04454	1.4
144.08066	0.8
145.10178	0.9
146.06050	2.0
148.07591	1.2
150.09154	1.3
155.99609	0.6
158.09625	1.0
159.08058	0.6
163.11223	0.7
172.03935	6.6
172.07458	0.7
187.08745	1.3
190.05150	1.2
197.10793	1.3
198.11552	0.8
204.06557	9.2
204.08298	0.8
209.10690	0.8
211.08731	2.2
221.10783	0.8
223.08826	0.8
223.12321	1.3
225.10262	3.5
225.13933	1.9
227.11746	3.4
235.08665	1.2
236.09532	1.5
237.10310	2.5
239.11865	1.0
246.07336	0.6
247.08765	0.7
248.09454	0.9
249.10208	3.1
250.07245	0.7
250.11066	1.5
251.08247	1.4
251.11784	4.0
253.09814	1.5
253.13474	1.8
257.13077	0.7
261.10358	1.2
263.08496	1.0
263.11816	1.3
264.09058	1.5
265.09720	1.8
273.18668	1.7
277.09741	1.7
279.11331	4.2
281.12949	1.3
285.12347	3.6
287.11728	0.9
297.12610	1.4
300.11493	0.9
300.14859	0.9
301.15567	1.6
307.10913	1.0
309.12488	2.2
311.14005	2.5
312.11743	1.1
313.12488	0.8
314.12976	2.0
315.13940	0.9
323.14484	0.8
324.15289	0.7
325.12152	1.7
326.13058	1.9
327.13834	1.5
328.10916	1.3
328.14453	2.7
329.15347	1.1
332.13989	1.2
337.12186	0.8
339.13641	3.3
340.10843	1.0
340.14600	2.4
341.11731	0.9
341.15399	1.5
342.12460	5.7
342.16245	2.3
343.13007	1.5
351.13550	0.8
354.12466	2.6
355.13269	2.0
356.13998	4.9
356.17746	1.5
357.14810	2.5
358.15536	1.5
359.14249	0.8
366.16428	0.9
368.13812	3.2
369.14902	1.5
370.15564	6.8
371.16382	1.3
382.15601	1.8
383.16437	1.9
384.17313	4.3
385.18085	1.0
386.15067	0.7
396.13251	1.5
398.14984	1.7
399.15863	1.1
405.17441	1.1
406.18265	0.9
410.14984	1.6
411.15839	1.0
412.16791	2.0
416.20157	1.0
417.17188	0.9
419.14728	1.2
420.15125	1.0
426.18185	3.2
430.17685	2.6
431.18204	0.9
433.16605	2.5
434.17514	1.8
435.18317	1.9
438.14703	1.4
442.17865	2.0
444.19275	10.4
447.18130	1.8
448.19614	0.9
449.19711	4.3
450.20047	1.3
452.16010	1.1
461.19659	0.9
462.20279	0.8
463.21396	2.3
464.21664	1.5
465.23141	1.0
470.17133	3.9
472.18796	1.3
477.23248	1.6
491.20547	0.7
492.21558	0.8
502.19910	1.0
504.21341	1.7
518.22180	0.7
519.23920	1.0
533.25500	0.9
537.24677	0.9
547.23663	1.1
551.26563	13.3
552.26001	1.2
579.25989	11.8
580.26953	1.1
589.24689	2.1
597.27081	2.8
607.25610	9.4
608.25964	1.2
611.28656	49.1
612.29120	5.3
621.26953	2.5
621.41394	1.8
639.28149	100.0
639.39539	4.5
640.28241	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	640.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.53084	0.1
62.80753	0.1
67.54529	0.1
70.67246	0.2
74.59095	0.2
77.03905	0.2
79.05499	0.8
79.05898	0.1
91.05479	0.6
91.15817	0.1
93.07025	1.1
95.04968	0.3
103.05468	6.7
107.04964	1.8
117.03378	0.1
119.07362	0.1
120.08105	100.0
121.08437	1.6
131.04918	2.5
149.05975	1.8
163.03938	0.9
166.08636	43.3
167.08951	0.8
285.71405	0.1
369.78268	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73552	0.3
59.34398	0.3
59.82644	0.3
68.28318	0.3
74.16952	0.3
91.16395	0.3
104.05567	0.3
120.53836	0.3
141.47058	0.3
159.67006	0.3
203.46626	0.3
210.93222	0.4
221.10669	0.3
239.34634	0.3
262.14227	0.3
302.16699	0.3
375.16049	0.3
377.17911	0.9
378.18585	0.4
389.17352	0.8
390.18185	0.9
391.19205	2.1
392.19797	2.2
393.20709	0.8
394.86572	0.3
403.19238	1.3
404.19690	1.3
405.20734	4.4
406.21255	2.5
407.22266	1.7
417.20706	1.0
418.16452	0.7
418.21234	1.1
419.17480	2.6
419.21765	2.3
420.18176	1.6
420.23227	2.1
421.23895	5.6
422.24045	1.0
432.17841	1.4
433.18988	4.4
433.24066	1.6
434.19086	6.0
434.24323	1.9
435.18802	0.7
435.24753	0.6
436.19171	0.9
436.25253	0.6
446.19763	0.9
447.20291	2.3
448.21368	22.4
449.20276	3.5
450.20212	0.9
451.21368	1.1
460.21494	0.5
461.22333	1.3
462.22928	18.1
463.22894	3.1
464.22025	2.4
465.22824	3.5
466.23318	0.5
475.25290	2.5
476.24780	0.9
477.22910	1.4
478.24341	1.9
479.24411	1.2
490.22607	0.7
491.23517	0.8
492.20416	2.3
492.26691	0.7
493.26022	4.2
494.26907	1.5
500.24844	0.6
501.23001	1.0
506.21667	0.4
507.22400	2.0
508.21381	0.6
517.24695	2.1
518.25696	3.2
519.23962	2.3
520.23822	1.0
522.22620	0.5
523.23907	0.7
534.24933	1.1
535.25836	4.5
536.26599	25.9
537.25110	14.6
537.37317	0.4
538.25623	3.1
562.24524	3.9
563.25269	0.8
565.23657	0.5
580.25598	10.5
581.25909	0.9
596.28693	10.7
597.28687	1.0
598.27460	0.6
622.26599	3.8
623.25818	0.3
640.27722	100.0
641.27991	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	640.3543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	24.9
67.05499	23.1
69.03429	18.4
69.07069	36.7
71.05006	7.5
79.05493	16.7
81.03407	13.9
81.07061	94.7
81.55988	4.5
83.04984	8.0
83.08627	13.0
85.02905	25.7
87.00838	16.6
91.05495	16.4
93.07038	52.7
94.30878	4.3
95.04971	28.1
95.08611	65.0
97.02894	13.1
97.06555	7.9
97.10180	23.9
101.14404	4.1
105.01833	4.0
105.07031	36.0
107.04961	4.5
107.08590	43.2
109.02875	12.1
109.06506	7.4
109.10175	50.2
111.04465	6.0
111.08085	11.0
111.11712	7.6
117.07028	9.3
119.08557	24.5
121.10139	46.7
123.11700	43.6
127.03897	17.9
131.04900	5.0
131.08549	5.5
133.10126	14.0
135.08090	4.4
135.11708	28.3
137.05951	4.5
137.09631	7.4
137.13268	17.2
139.11201	14.4
141.12695	6.2
145.04955	4.1
145.06488	7.7
145.10143	13.6
147.11699	26.5
149.13297	11.7
151.11212	7.8
153.12758	14.8
159.02917	5.9
159.11694	20.9
161.13231	7.3
163.03937	13.3
163.11174	7.8
164.07059	7.3
165.09169	4.9
167.07047	11.3
171.13832	10.8
173.06039	7.2
173.13246	6.2
175.14899	9.0
181.04938	24.7
181.12213	5.8
187.13348	13.5
187.14835	8.3
199.13258	4.3
201.05412	8.6
203.12778	4.4
215.17917	5.9
219.06531	7.3
233.08122	12.7
234.08931	6.9
257.22699	6.3
275.23691	18.7
282.31277	4.2
285.22208	12.1
291.23227	10.2
293.24786	15.4
303.23181	100.0
304.23630	4.8
309.24210	10.9
321.24216	59.3
336.26950	4.6
339.25336	34.9
357.26102	5.6
444.00778	4.5
533.27332	5.3
551.28400	15.1
589.04517	4.3
620.22101	4.7
641.21790	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	42.4
57.03434	39.8
57.07072	93.8
63.63668	18.2
67.05505	58.4
67.11514	16.6
69.07082	46.9
71.08635	53.8
71.60777	16.8
79.05500	61.1
81.07053	100.0
83.08602	33.4
85.10184	27.7
91.05497	67.6
93.07049	58.6
95.08610	80.9
97.10133	23.1
98.23504	42.3
105.07014	48.4
107.08610	37.9
109.10163	32.7
115.44411	16.6
117.07029	24.6
119.08566	33.8
122.27578	17.9
131.08539	26.5
133.10161	21.8
139.75902	17.2
145.10132	26.5
159.11696	30.1
172.66991	16.9
206.03729	20.0
218.15485	19.0
275.20096	23.2
313.27243	59.5
349.23654	21.7
507.40057	26.0
547.43433	38.1
598.20825	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	641.1717
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.03935	0.5
55.01862	0.4
57.03426	0.7
61.02935	1.1
69.03434	2.4
69.90507	0.2
70.03786	0.2
70.06577	0.3
70.95853	0.3
71.04976	0.3
73.02916	0.6
81.03412	1.0
85.02903	6.7
86.09720	0.3
87.04457	0.3
91.03940	0.4
92.02638	0.5
93.03392	0.3
97.02906	2.6
109.02869	0.6
121.02871	0.6
127.03884	1.3
139.03915	0.8
145.05009	1.2
146.44315	0.2
151.03911	0.7
153.01813	4.8
160.90175	0.2
163.03911	0.5
165.01895	0.3
177.05496	0.3
183.02917	0.3
201.05446	0.3
203.03377	0.2
208.61163	0.2
217.05133	0.3
228.04179	1.0
229.04953	2.2
231.02895	0.4
245.04466	0.8
246.05351	1.1
248.67717	0.2
256.06122	0.6
257.04425	1.5
260.03275	0.3
273.03882	1.1
274.04742	3.0
284.03091	0.5
285.03897	3.4
286.04489	0.5
297.11105	0.3
302.04193	11.1
303.04507	0.5
317.06549	100.0
318.06882	4.2
345.36496	0.2
359.07315	0.3
470.88345	0.3
479.11829	9.5
480.12479	0.4
629.19934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1714
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
55.01882	0.5
57.03434	0.7
61.02922	0.9
61.34238	0.3
66.76817	0.3
69.03442	2.3
70.02950	0.6
70.07968	0.9
70.72424	0.3
71.04992	0.6
71.05357	0.3
72.86793	0.3
73.02913	0.6
81.03410	1.2
83.01352	0.3
85.02906	13.0
88.03991	0.4
89.15826	0.3
89.95183	0.3
91.03939	0.7
92.02591	0.7
93.03394	0.5
93.93537	0.3
97.02892	3.4
98.23422	0.3
99.04443	0.6
102.05551	1.8
105.68776	0.3
107.04953	0.6
109.02860	1.0
119.01294	0.3
121.02851	0.6
124.37878	0.3
127.03915	2.9
139.03900	0.5
145.04958	3.8
146.06004	6.0
148.06018	0.7
151.03877	0.7
153.01822	6.5
163.05966	0.7
165.01791	0.6
168.35670	0.3
174.05539	1.5
177.05492	0.5
201.05489	0.5
203.03276	0.4
217.05017	0.6
218.05791	0.4
228.04205	0.8
229.05000	2.5
245.04454	0.6
246.05267	1.6
257.04529	1.7
273.03958	1.4
274.04700	3.8
275.10315	0.6
284.02924	0.3
285.03894	4.4
285.35284	0.4
302.04211	10.9
317.06552	100.0
318.06970	3.1
321.10791	3.2
479.11978	1.8
487.57901	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.2
67.05493	5.1
69.07060	2.4
75.83070	1.2
79.05478	3.2
81.03405	1.3
81.07050	3.9
83.04938	1.1
83.08623	1.8
91.05464	3.3
93.07036	2.9
95.04977	1.8
95.08598	4.2
103.41448	1.1
105.07063	3.1
107.08573	2.3
109.06565	1.5
109.10145	1.7
119.08595	3.8
121.10138	1.9
131.08524	1.4
133.10141	1.8
147.11649	2.2
154.86963	1.1
174.48932	1.2
184.07478	1.4
275.19986	1.6
409.13000	1.3
421.12836	3.3
422.13504	6.6
423.14474	5.5
424.15170	1.6
428.16180	1.5
435.14554	3.6
436.15274	6.7
437.16199	10.5
438.16458	2.6
439.17227	1.9
441.15814	2.2
450.16858	3.7
451.17447	5.3
458.16791	1.3
464.14850	3.4
465.15375	4.4
466.16418	2.1
467.17664	2.1
469.15170	1.8
478.16486	3.2
479.16980	2.7
480.18240	6.3
481.18979	1.7
483.17154	1.6
492.17847	1.4
493.19287	7.8
494.20178	2.1
495.16876	6.3
498.15115	2.2
507.16809	3.0
508.17419	9.8
509.18124	7.8
510.18604	2.3
512.16827	3.9
513.17645	1.6
521.18243	16.4
522.16779	5.9
524.16754	1.3
526.15350	1.6
535.23364	1.8
539.18915	2.3
553.20746	6.1
581.20306	64.0
582.20996	6.1
599.21130	12.3
622.22607	4.2
641.22205	100.0
641.41492	4.5
642.22565	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	641.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05530	0.7
63.71512	0.4
67.05241	0.4
67.05560	1.3
69.07114	0.6
79.05555	1.1
81.07117	1.2
83.08674	0.5
86.11343	0.4
91.05562	1.1
93.07122	1.2
95.08651	0.8
97.06592	0.5
98.22681	0.7
105.07080	0.5
107.08636	0.9
109.10236	0.4
117.07056	0.5
119.08648	0.7
133.10220	0.7
134.48694	0.3
159.11835	0.4
163.11237	0.4
195.00432	0.4
244.64412	0.4
289.18066	0.6
333.20285	0.5
407.11560	0.9
408.12122	1.3
409.12961	0.7
410.14597	1.1
411.15204	0.6
414.14297	0.7
420.12070	0.6
421.12845	2.9
422.13730	7.5
423.14590	4.9
424.15594	2.1
425.16525	0.6
428.15982	1.1
429.16711	0.7
434.13889	0.7
435.14569	3.8
436.15457	6.9
437.16284	9.8
438.17682	1.9
439.18130	0.6
441.15530	1.2
449.16107	2.3
450.17407	3.3
451.18558	5.0
452.19370	2.3
453.15903	0.8
454.16885	0.4
455.17313	1.4
456.17114	0.4
457.16101	0.8
460.15311	0.4
461.16284	0.6
463.13998	1.2
464.14212	4.1
465.15714	5.9
465.20575	1.6
466.16666	2.4
466.21167	0.4
467.17093	1.5
469.15140	1.2
470.16495	0.4
477.15854	1.7
478.16400	4.4
478.73874	0.4
479.17313	4.7
480.18106	7.1
481.14285	0.6
481.19244	1.1
482.15704	0.6
483.16815	0.7
484.17758	1.2
492.17673	1.3
493.19073	8.0
494.16403	1.2
494.19424	1.7
495.16266	5.2
496.17297	1.5
498.15576	1.6
506.15836	1.8
507.16693	2.9
508.17358	8.3
509.18173	7.0
510.18033	1.1
512.16882	3.3
513.17072	0.7
521.18274	14.2
522.18079	4.4
523.16302	0.6
524.16742	0.9
525.22412	0.6
526.15247	1.4
536.18512	0.6
537.17987	0.7
538.18744	1.2
539.19281	1.5
540.16479	0.5
543.20984	0.6
549.17865	1.3
553.20825	3.8
554.20734	0.4
563.18689	0.8
581.20270	59.9
582.20532	7.3
597.71588	0.4
599.21307	11.6
600.21436	0.8
609.19543	1.8
622.23035	5.2
623.23468	1.1
623.42316	0.8
641.22235	100.0
642.22577	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	641.2968
Annotation	Crooksiine
Peak:m/z	Relative Intensity
67.05502	0.5
81.07046	0.2
86.09727	0.3
95.08601	0.3
107.20893	0.3
162.91367	0.2
185.44302	0.2
210.06760	0.2
222.88387	0.2
309.12906	0.2
315.13684	0.2
328.14786	0.3
363.16193	0.3
365.17224	0.3
377.17661	0.7
378.18384	0.3
379.19241	0.7
390.18323	0.3
391.14966	0.5
391.19333	1.0
392.20154	0.6
393.21097	1.4
394.21454	0.3
395.22290	0.3
404.20389	0.4
405.16620	2.1
406.17075	1.2
406.22263	0.4
407.22653	4.2
408.23013	0.8
418.17868	0.8
419.18335	3.1
419.23282	0.4
420.19080	1.8
421.15610	0.4
421.20291	3.8
422.20880	0.7
423.21967	1.2
432.19489	0.3
433.20352	4.1
434.21378	3.7
435.21973	7.7
436.22540	1.7
447.22699	1.4
448.19064	0.8
448.27948	0.3
449.19531	7.3
450.20218	0.8
451.21179	0.3
461.23636	0.6
462.20483	0.6
463.20984	3.1
464.22116	1.6
465.23523	0.6
467.24567	0.7
475.21286	0.3
476.21738	0.4
477.22757	0.7
479.19943	1.2
480.21304	0.6
481.22101	1.7
489.22943	0.6
491.24500	0.4
493.21652	2.2
494.22803	2.7
495.23788	3.4
496.24582	0.5
506.22943	0.4
507.24026	2.2
509.25714	0.6
521.25616	9.9
522.25751	0.9
523.27130	0.4
526.25781	0.5
535.23639	0.5
539.22296	1.2
545.76324	0.2
549.24866	0.7
550.25909	0.4
551.26257	0.3
553.25671	0.7
563.26221	0.8
567.25842	0.4
581.27625	19.8
582.27667	1.8
609.27124	0.7
610.27557	0.4
613.29614	0.4
641.29651	100.0
642.30017	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	641.2973
Annotation	Crooksiine
Peak:m/z	Relative Intensity
54.01767	0.3
61.95870	0.3
65.52029	0.3
70.27169	0.8
98.23521	0.3
105.07027	0.4
134.09628	0.3
164.50507	0.3
202.85657	0.3
227.11798	0.3
239.11897	0.4
241.13307	0.3
251.11818	0.5
256.26294	0.3
286.99326	0.4
308.11935	0.3
314.13263	0.3
325.15643	0.5
329.15192	0.3
342.16092	0.4
377.17853	0.4
385.75891	0.4
389.17859	0.4
390.18076	0.4
391.19168	0.7
404.16342	0.8
405.21112	0.7
406.21512	1.1
409.20853	0.4
417.17200	0.4
418.18188	0.9
419.18237	1.5
420.23648	0.7
421.23880	0.8
422.22217	0.3
430.21350	0.4
432.15396	0.6
433.20499	3.8
434.21094	2.0
435.21866	1.0
437.19843	0.6
446.21823	0.5
447.17883	1.4
447.22372	1.1
448.22693	1.1
449.24039	1.4
451.21783	0.4
460.18494	0.7
461.19489	9.7
462.20319	3.1
463.21210	1.4
465.18689	1.6
467.24689	2.0
475.21295	1.1
476.22040	2.4
477.22839	3.5
479.20868	1.1
480.21329	0.5
489.23035	1.2
491.20282	0.5
493.21860	1.4
494.22934	2.3
495.23798	1.7
507.23886	0.5
519.20227	0.6
521.21173	0.7
533.21741	0.7
534.26154	0.6
535.26971	1.2
547.26691	0.3
548.24133	2.8
549.24915	1.3
551.23108	0.5
553.28424	1.4
563.26697	6.5
564.26495	0.6
566.25104	0.5
576.23450	0.5
581.27679	11.9
582.27875	1.0
593.23889	0.4
594.26776	0.4
595.28644	0.3
608.25909	1.5
609.26801	0.6
623.28796	3.4
624.28235	0.6
631.95386	0.3
637.37402	0.4
641.29730	100.0
642.30054	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	641.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12870	0.6
55.05513	1.2
57.03432	0.7
67.05508	2.4
67.18961	0.6
69.07091	1.2
71.62754	0.7
79.05508	2.2
81.07072	2.1
83.08614	0.7
86.27728	0.7
91.05506	1.8
93.07071	1.8
95.05001	0.9
95.08636	1.3
104.10758	0.7
105.07056	2.7
107.08599	1.5
109.06561	0.9
109.10156	1.3
115.28423	0.6
119.08612	1.5
121.10207	0.9
131.08618	1.0
133.10176	0.6
145.10164	1.3
147.42067	0.6
157.10144	0.7
159.11638	1.0
171.11571	0.9
212.64336	0.6
251.16158	0.6
273.18521	0.8
275.20337	1.4
286.99118	1.2
307.00635	0.6
346.36264	0.7
349.23959	1.0
377.17746	1.4
390.18655	0.9
391.19580	1.0
393.20822	1.2
405.17233	2.2
407.22751	3.1
419.18747	2.8
420.19547	2.0
421.20013	3.8
423.22021	1.0
433.20599	3.2
434.21317	3.6
435.21921	7.1
436.22281	1.5
447.22144	2.0
449.19592	9.3
450.20065	0.7
461.19543	1.1
462.20880	2.1
463.21234	3.2
464.22076	2.0
477.22797	1.1
479.20547	1.0
481.22241	1.0
491.23578	0.7
493.22736	2.2
494.23193	2.5
495.23691	3.5
507.23999	3.2
508.24469	0.8
521.25793	5.7
522.25616	0.8
535.23633	2.9
549.25183	1.2
553.27502	1.2
566.24866	0.8
567.26160	1.7
581.27637	32.0
582.27704	3.0
595.25427	1.3
598.26208	0.7
622.21722	0.8
623.27271	1.3
623.43073	1.4
641.29755	100.0
642.30011	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	641.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27608	0.3
66.15453	0.3
80.05006	0.3
98.22673	0.6
124.49172	0.3
164.31049	0.4
197.10664	0.4
223.12312	0.5
235.12341	0.4
237.13715	0.5
238.07776	0.3
239.11826	0.5
241.13326	0.4
251.11710	0.4
253.13295	0.6
265.13412	0.3
311.14313	0.3
325.15503	0.5
326.16595	0.3
328.14536	0.7
330.16159	0.8
335.85599	0.3
356.17667	0.7
358.19138	0.4
390.18729	0.6
391.19235	1.1
396.17181	0.4
404.15976	0.7
405.16431	0.6
405.21188	0.8
406.21786	0.6
407.22391	0.4
412.20236	0.6
416.19745	0.4
418.17816	0.7
419.18024	1.7
419.23395	0.6
420.19208	0.7
430.21234	2.4
432.19644	0.7
433.20517	3.0
434.21191	1.9
435.21832	1.3
446.16888	0.8
447.17480	1.0
447.22232	1.4
448.23022	0.6
449.23624	0.7
451.21405	0.5
460.23822	0.4
461.19519	10.0
462.20432	4.0
463.21313	1.2
465.18677	2.0
467.24356	1.8
475.21338	0.7
476.22620	2.0
477.22992	2.6
478.20084	0.5
479.21005	1.2
480.21280	0.8
489.22949	0.4
491.20715	0.5
493.22708	1.3
494.22589	2.1
495.23825	1.7
504.25726	0.4
505.22632	0.5
507.24197	1.1
521.22162	1.2
521.25903	1.0
533.21686	0.5
534.25641	0.5
535.26654	1.4
548.24158	2.9
549.24866	1.5
553.28381	1.6
563.26819	5.5
564.25946	0.7
565.24829	0.9
566.24750	0.5
576.23535	0.5
580.23468	0.6
581.27588	11.8
582.28229	0.5
591.23712	0.5
593.24384	0.6
597.26178	0.5
608.25977	2.2
609.24396	1.4
612.25543	0.4
623.26892	2.0
641.29663	100.0
642.29944	7.2
668.07208	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.3
67.05514	2.5
69.07050	0.9
70.62241	0.8
75.17522	0.5
79.05502	2.3
81.07056	2.8
83.08620	0.8
91.05496	2.3
92.14569	0.5
93.07050	1.7
95.05013	1.1
95.08611	1.8
96.01274	0.5
105.07052	1.5
107.08589	1.1
109.06548	0.7
109.10190	1.2
117.07011	0.9
119.08601	0.9
121.10116	1.1
131.08591	0.9
133.10135	0.9
145.10121	0.7
146.67184	0.5
147.11754	0.7
159.08034	0.6
159.11646	0.5
197.10742	0.7
209.10803	0.9
243.56787	0.6
243.70332	0.5
289.17926	0.9
312.15170	0.6
326.16504	0.7
378.18549	0.8
388.16922	0.7
389.17865	1.6
391.19254	0.7
392.20166	1.0
401.17584	1.1
402.18533	1.7
403.19153	3.4
404.20074	1.5
405.21225	0.9
406.21494	1.5
407.22461	1.8
408.22891	0.7
413.17874	0.6
414.18512	0.6
415.19244	3.2
416.19998	2.9
417.20944	5.0
418.21716	2.6
419.22562	1.3
420.23370	1.1
421.23953	1.5
428.20111	0.7
429.21201	3.5
430.22061	2.7
431.22894	3.6
432.23395	1.1
433.24033	6.7
435.21896	1.9
436.18402	0.6
443.22940	1.2
444.18417	0.9
444.23318	2.2
445.19162	1.0
445.24005	3.4
446.25046	1.1
447.17862	1.2
447.25336	1.8
449.23477	1.8
457.20059	1.0
458.25232	1.1
459.21365	4.5
460.22742	3.3
461.19839	2.1
462.20316	4.9
463.21155	4.1
471.21960	0.9
472.22443	1.2
473.23514	4.4
474.24265	3.6
475.21088	6.3
476.22055	2.6
477.22879	14.0
478.23273	1.3
485.23892	1.3
486.22632	0.6
487.25079	6.5
489.23059	2.5
490.23419	0.8
491.24701	4.2
492.25491	1.0
503.24463	0.9
504.24988	1.2
505.26166	3.1
506.26550	2.5
515.24329	1.5
517.23145	0.9
518.23151	1.5
519.27881	3.3
520.27863	0.6
523.27197	1.1
531.23718	0.6
532.24487	1.2
534.22852	1.0
535.22906	3.5
545.25494	9.6
546.26141	1.7
547.27057	15.5
548.27979	0.8
549.24939	12.8
550.25696	16.5
551.26050	1.0
563.26178	3.2
564.27051	2.8
573.25049	0.6
577.28223	1.6
579.29846	6.4
580.30341	0.9
591.26086	12.8
592.26166	1.3
605.27606	19.8
606.27942	1.9
623.28632	100.0
624.28864	8.3
641.28107	1.7
641.42285	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	641.2972
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05521	0.8
57.03433	1.3
67.05500	3.2
69.07071	1.5
69.78765	1.5
73.35757	0.5
79.05499	3.2
81.07047	3.2
83.08613	0.6
84.33869	0.5
91.05472	2.7
93.07066	3.0
95.04986	1.0
95.08619	2.0
98.22803	0.8
105.05511	0.6
105.07037	2.0
107.04958	0.7
107.08612	1.2
109.06516	1.1
109.10157	1.3
117.06973	0.8
119.08569	1.5
121.06532	0.9
121.10163	1.0
129.07021	0.6
131.08618	1.2
133.06479	0.6
133.10158	1.0
135.11734	0.9
144.08156	0.5
145.10173	1.2
147.11681	0.6
159.08047	0.8
159.11833	0.5
161.13235	0.6
170.09583	0.6
172.07741	0.6
173.10837	0.7
180.22154	0.5
183.09213	1.2
184.09824	0.6
185.10811	1.3
196.09979	0.8
197.10689	1.1
208.11250	0.6
209.10672	1.0
210.11467	1.1
211.12326	2.2
221.10750	0.6
222.11588	0.7
223.12372	1.8
224.13132	1.5
225.13847	1.8
227.11922	1.8
235.12430	0.5
237.13928	2.8
238.14650	1.4
239.11861	0.9
239.15465	2.4
240.12531	0.6
249.13907	1.1
251.15611	1.1
264.15521	0.7
274.14148	0.6
275.14572	0.6
275.20209	1.3
276.15204	1.3
277.16040	0.9
281.13016	0.9
288.16095	0.9
289.17868	1.3
290.13309	0.8
290.16599	1.8
292.18158	1.5
298.13571	0.7
299.11884	0.6
300.15057	1.5
301.16422	0.6
302.16635	0.6
304.14658	1.3
304.17972	1.3
305.18903	1.4
307.10999	1.6
307.19324	0.7
313.15573	1.8
317.15704	0.6
318.16092	1.9
319.16812	1.4
321.12436	0.8
328.14468	0.8
330.16263	1.2
332.17630	1.2
334.19080	1.2
335.25928	1.0
344.17651	1.0
345.18683	0.6
346.19376	1.0
348.20602	0.8
353.15219	0.9
355.13248	0.6
358.19495	0.8
360.20859	0.7
363.16489	0.7
369.14795	0.9
374.18771	0.7
375.19824	1.2
377.17603	0.7
378.18610	0.6
382.12039	0.9
384.17087	3.0
389.17416	0.8
390.22205	0.8
391.19089	1.2
392.19800	3.1
393.20764	2.2
397.14526	0.7
403.19232	1.0
404.19934	0.8
405.21179	2.1
406.21555	4.0
407.22165	6.9
408.23019	1.4
412.16852	1.9
412.42175	0.7
415.19238	1.2
416.20087	1.3
417.20981	1.9
419.22574	2.6
420.23373	2.7
421.23828	7.9
422.24359	9.1
423.24268	0.6
426.18225	1.0
427.18906	0.8
429.21564	1.1
431.18015	0.9
431.22946	1.1
432.23309	1.1
433.24301	1.4
434.17627	1.6
434.24500	5.4
435.21664	1.3
443.22656	0.8
444.18793	4.6
445.19727	1.6
445.24826	0.9
447.18060	1.7
448.19675	1.2
449.23611	0.8
458.20728	1.4
459.21765	1.8
460.23355	0.9
461.18921	1.1
461.24457	1.0
462.20584	2.0
463.21271	9.7
464.21149	0.7
466.23227	1.0
473.23569	1.6
474.24005	1.9
475.21350	4.8
476.21121	2.1
477.23013	4.8
478.23599	0.8
479.24683	0.9
487.24857	1.9
489.23062	1.8
491.24469	3.0
494.26923	2.8
495.27667	2.2
503.24820	0.8
505.26215	1.2
506.26840	0.9
508.22430	1.6
515.24213	0.7
517.22223	1.2
518.23529	1.1
519.20569	0.8
520.20514	1.1
522.26587	0.9
523.27637	1.0
531.23932	1.2
533.21021	0.6
534.22711	1.0
535.23328	0.8
535.26190	0.7
545.25580	8.1
546.25836	1.3
547.19775	0.7
547.27216	8.0
548.24664	0.9
549.24945	15.0
550.25684	6.4
561.21387	1.9
563.26654	5.8
564.26978	1.8
565.27783	1.4
576.23730	1.4
577.26355	0.7
579.29883	1.9
581.27441	2.1
591.26050	38.8
592.26117	3.1
599.27478	0.9
605.27924	6.2
608.25842	0.9
609.27100	16.7
610.27789	1.4
623.28632	100.0
624.28851	10.2
641.29407	17.3
641.40985	7.9
642.30316	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2974
Annotation	Moluccensin A
Peak:m/z	Relative Intensity
55.05488	1.4
56.98387	0.8
63.13588	0.8
67.05499	3.1
69.07069	1.9
75.04475	2.5
79.05497	3.0
81.07067	4.8
83.08640	1.2
85.47252	0.9
90.68699	1.0
91.05475	3.7
93.07036	2.2
95.04971	1.5
95.08626	3.3
97.10194	1.0
98.22708	2.9
105.07063	2.3
107.04984	1.0
107.08562	2.0
110.93356	1.0
117.07061	1.2
119.08588	2.3
121.10152	1.3
129.06975	1.5
135.08018	1.1
145.10141	1.1
161.13229	1.1
185.13351	1.0
204.06642	1.1
210.11548	1.3
223.12242	1.0
224.09340	1.1
225.10272	1.4
225.13910	2.4
226.10886	1.1
227.12007	1.0
238.11113	1.2
239.11897	2.3
240.08797	1.1
240.12605	4.0
241.13365	1.1
249.10216	1.2
251.11780	1.4
253.13388	13.5
263.12091	1.3
267.11453	2.5
281.09241	1.1
289.18079	1.6
293.21149	1.3
302.13171	1.1
327.13431	2.4
328.14481	1.4
341.15082	1.7
344.13715	1.1
355.13318	1.1
363.21985	1.2
369.14862	1.6
370.15662	1.1
384.17206	2.5
386.18704	1.2
397.14520	2.0
411.00003	1.1
412.16592	11.2
416.15863	1.4
421.16833	1.5
422.96106	1.0
430.17337	1.3
444.19315	5.3
449.16046	3.0
463.17981	2.1
464.18384	2.3
465.19391	3.1
477.20187	1.0
479.20734	6.2
491.21094	1.2
493.22400	3.8
494.22137	1.0
505.18500	1.4
507.23746	3.0
508.24390	1.3
519.20123	2.8
522.19629	1.3
535.23492	2.3
537.21246	6.2
549.24792	1.4
551.22888	13.0
552.24323	2.3
566.25269	3.2
567.26007	3.3
577.24213	8.3
579.22723	5.6
581.27655	24.0
582.28546	1.6
594.24670	1.6
609.27063	100.0
610.27692	5.8
623.42889	2.7
627.27930	1.9
640.43542	1.4
641.29633	37.1
641.40552	4.6
641.45532	1.8
642.30060	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.297
Annotation	Scortechinone S
Peak:m/z	Relative Intensity
55.05512	1.5
67.05509	3.8
68.77510	0.5
69.07076	1.3
69.66670	2.2
79.05496	2.5
81.07054	3.8
83.04996	0.5
83.08614	0.7
91.05489	2.6
93.07043	2.2
95.04970	1.3
95.08624	1.8
97.06554	0.8
105.07042	2.4
107.04976	0.7
107.08621	1.9
109.06546	0.8
109.10183	1.2
119.08602	2.0
121.06561	1.0
121.10181	1.1
129.07083	0.6
131.08588	1.5
133.10185	1.3
135.08075	0.7
145.10172	1.6
147.11687	1.1
159.11673	0.6
183.09129	0.7
188.03505	0.6
192.07925	0.7
195.09152	0.8
197.10849	1.0
197.66762	0.5
202.31660	0.6
209.10748	0.9
210.11536	0.8
211.12376	1.1
212.09517	0.6
214.94656	0.5
219.17406	1.2
224.13005	1.0
225.13956	1.0
227.11581	1.2
235.12318	0.6
237.10333	0.7
237.13899	1.0
238.14806	1.1
239.11668	0.7
239.15533	1.5
251.15433	0.6
262.14532	0.9
263.15622	0.6
266.99426	0.7
275.19968	2.7
276.12317	0.6
276.15274	0.6
284.88489	0.6
301.16489	0.6
307.10794	0.9
313.15619	1.6
315.17310	0.6
318.16104	1.3
319.16815	0.9
330.15948	0.6
330.91788	1.1
332.17697	1.4
344.17505	0.7
346.19070	0.6
348.20483	1.0
349.23868	1.9
360.20740	0.6
375.19656	1.0
384.17133	2.4
391.19330	1.3
392.20068	1.5
393.20792	0.8
401.17874	0.6
402.18307	1.3
403.19235	2.1
404.20084	1.6
405.21164	2.1
406.21252	3.0
407.22241	4.6
412.16681	1.5
415.19214	1.9
416.20090	1.9
417.21011	4.4
418.21426	2.6
419.22821	2.6
420.22940	2.1
421.23868	4.0
422.24390	4.6
427.19330	0.8
429.20941	1.6
430.21524	2.3
431.22925	3.0
432.23456	0.7
433.24265	4.6
434.24527	4.0
435.21982	1.7
443.22638	0.9
444.19092	2.2
444.23849	1.4
445.24121	2.6
446.24783	1.1
447.17825	1.0
447.25677	0.8
449.23337	1.3
459.20822	2.7
460.22421	3.4
461.19775	1.2
462.20230	4.1
463.21130	5.6
471.22141	1.0
472.22690	1.1
473.23257	2.5
474.24402	1.6
475.21173	3.5
476.22147	2.1
477.22849	13.2
478.23511	1.0
485.23413	0.9
487.25037	5.7
488.25653	0.8
489.22739	1.9
490.23630	1.1
491.24319	4.9
503.25009	1.3
505.25949	1.6
506.26941	2.7
515.24396	2.3
517.24799	0.6
518.22803	1.3
519.27576	2.3
521.21027	0.7
532.24634	1.1
535.23254	2.8
545.25433	8.1
546.26019	1.5
547.18909	0.6
547.26971	15.1
548.26947	0.8
549.24969	9.8
550.25818	13.4
563.26270	3.0
564.27350	2.8
565.27716	1.0
573.25287	0.7
577.28082	1.1
579.29651	6.5
591.26050	11.2
592.26343	0.8
599.27032	0.8
605.27533	17.3
606.27661	1.3
609.27142	9.2
623.28601	100.0
624.28998	7.6
626.26965	0.7
641.29333	7.8
641.41534	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	641.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.8
69.64792	1.0
76.11761	0.3
79.05494	0.5
81.07046	1.1
86.09696	0.3
91.05504	0.8
91.06734	0.3
93.07045	0.7
95.08601	0.5
104.10751	0.8
105.07041	0.4
107.08604	0.5
107.65954	0.3
118.87163	0.3
119.08538	0.4
124.99918	0.4
133.10156	0.5
147.11710	0.3
275.20114	0.3
285.22141	0.4
316.58896	0.3
318.45111	0.3
407.11688	0.3
410.14563	0.3
421.13199	0.5
422.13715	1.0
423.14584	0.7
424.15179	0.5
435.14709	0.5
436.15363	0.8
437.15958	1.3
438.16528	0.3
449.16354	0.5
450.17059	0.6
451.18103	0.6
457.89084	0.3
464.14819	0.6
465.15567	0.9
466.16110	0.4
478.16571	0.4
479.17163	0.4
480.17801	1.1
493.18832	1.2
494.19098	0.3
495.16931	1.0
506.16205	0.4
507.16721	0.4
508.17468	1.2
509.18179	0.9
512.17157	0.4
521.18158	1.8
522.18024	0.9
525.21606	0.3
549.17554	0.3
553.20685	0.5
581.20245	8.8
582.20642	1.7
599.21002	1.5
600.21692	0.4
622.23029	1.0
623.23969	0.3
641.22699	14.1
641.36572	100.0
642.22791	3.0
642.36914	7.2
669.04944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	23.4
70.30486	50.5
78.79297	19.7
93.07065	22.8
95.08550	21.6
136.74542	18.0
153.82434	19.0
178.26331	20.8
209.32558	21.6
269.17371	22.9
313.27371	47.4
347.85342	23.2
412.67172	21.9
507.40594	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.0
65.03947	6.1
65.17036	0.9
67.05495	3.0
69.03439	1.3
70.06595	2.2
71.01349	1.4
71.04961	1.0
78.85862	1.2
79.05486	5.3
81.03410	3.5
81.07061	1.5
82.04233	1.2
85.02910	4.6
91.05486	4.7
93.03407	1.5
95.04974	6.2
97.04762	1.0
97.06549	1.5
103.05461	15.0
105.03421	2.7
105.07035	4.3
106.04214	1.3
107.04964	7.5
108.02093	2.3
109.06531	1.8
110.03687	2.2
111.04405	1.7
115.05458	4.1
117.07001	4.4
118.04160	4.9
119.04941	2.1
120.05875	1.1
121.06498	1.8
123.04436	6.3
124.05216	2.3
125.05975	3.2
129.06984	3.2
130.04111	1.3
131.04921	15.5
133.02899	3.2
133.06490	9.5
135.07956	1.5
137.06017	6.7
138.03162	2.0
139.03850	1.4
140.04688	1.7
143.04964	1.5
145.06471	4.7
146.03575	2.1
147.04411	1.7
147.08054	2.0
148.05199	9.9
149.06006	3.6
151.03940	2.0
151.07532	2.3
152.04729	1.5
153.05450	8.5
155.05974	1.4
155.07053	2.2
157.06615	1.3
159.08076	3.1
161.06015	5.7
163.03920	2.1
163.07568	18.0
165.05417	5.8
165.09135	1.8
166.06297	1.3
167.07039	47.6
171.06506	5.9
173.05933	6.6
175.07547	2.2
176.04752	3.1
177.05475	2.4
179.07060	2.5
179.08543	1.2
180.07880	1.8
181.04951	100.0
182.05440	1.4
183.06451	1.4
187.07524	2.9
191.07025	84.9
192.07468	2.2
193.04982	2.7
193.08592	2.7
195.06522	2.3
197.08167	1.7
201.05479	1.3
203.07056	2.0
205.08556	3.2
207.06482	5.3
207.10130	2.1
208.07321	4.4
209.08022	3.2
215.10213	1.0
217.08575	3.0
219.10100	6.7
221.08148	2.0
225.07567	14.6
226.08330	2.7
233.08061	7.3
235.07547	2.0
235.09688	5.8
237.09065	1.3
244.22682	2.1
245.08113	2.1
256.39865	1.1
263.09143	22.2
267.10168	3.1
297.11069	2.1
307.09500	1.6
309.11185	1.3
325.10733	3.4
331.11819	1.6
337.10794	1.3
357.13330	5.2
367.11743	1.6
385.12796	11.2
387.14273	2.0
399.14526	3.0
417.15576	7.7
418.15497	1.2
598.96600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94611	1.0
56.61303	0.9
62.46802	0.8
65.03958	1.7
67.05494	1.6
69.23138	3.1
69.23540	1.8
76.46671	0.9
78.04704	3.1
79.05484	3.4
81.03414	0.9
81.07050	1.6
81.47044	0.8
85.02912	2.6
91.05492	3.7
93.07037	1.2
95.04963	3.0
95.08638	1.0
97.06537	1.4
97.43130	0.8
98.23473	1.6
98.81493	0.8
98.83584	1.0
103.05478	2.0
105.07031	1.0
106.04135	2.1
107.04984	4.2
107.08596	1.1
110.03661	1.2
111.04449	1.0
115.05453	4.0
117.07030	7.6
119.08559	0.9
121.06507	2.9
122.03632	1.1
123.04414	7.3
124.05222	2.5
125.05997	1.5
127.05439	1.4
131.04929	3.6
137.05951	1.5
140.04668	1.3
142.02689	1.0
145.06496	11.4
149.05969	2.4
151.03941	1.9
152.04706	2.5
153.05476	2.7
155.06027	6.6
155.07101	1.1
160.05362	0.9
163.03874	1.4
167.07047	100.0
168.07353	2.2
171.06548	3.3
173.05988	21.5
175.07513	1.6
177.05502	3.3
179.07126	0.9
181.04964	43.8
182.05341	1.8
191.06992	4.7
195.06427	1.3
203.07054	2.1
203.14333	1.5
205.08569	5.0
209.08122	3.8
219.06598	0.9
233.08098	5.3
235.09634	6.6
297.11017	1.8
301.21582	1.1
325.10712	1.0
357.09583	1.0
357.13525	4.9
385.12811	25.5
386.13541	1.7
387.14417	5.9
391.53006	1.1
399.14630	1.4
417.15479	20.9
418.15707	1.7
643.23743	45.7
644.24579	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	643.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89774	0.6
55.01836	2.8
55.05488	1.0
63.57206	0.6
65.03938	5.6
67.05494	3.2
69.03393	0.9
69.71722	0.8
69.72073	2.3
71.01334	1.4
78.04663	1.0
79.05499	5.8
79.26253	0.6
81.03406	3.2
81.07039	1.7
82.04140	1.7
83.04932	0.6
84.27055	0.6
85.02904	5.7
90.04669	0.7
91.05484	6.2
93.03389	1.8
95.04983	6.0
97.06529	1.5
98.23391	0.9
100.07595	0.8
100.11220	2.7
102.04681	0.6
103.05464	15.9
105.03345	2.4
105.07019	7.0
107.04386	0.7
107.04951	7.7
108.02074	1.0
109.06493	2.2
110.03629	2.9
111.04392	2.2
115.05449	6.0
116.06221	0.7
117.03423	0.7
117.07038	4.4
118.04169	3.3
119.04893	2.7
119.08568	1.1
120.05669	1.1
121.06477	2.5
122.03606	1.1
123.04418	5.1
124.05191	2.8
125.05978	4.9
128.06172	1.1
129.07022	1.5
129.98088	0.6
130.04118	1.6
131.03963	1.2
131.04922	17.7
131.08572	1.1
132.05684	1.2
133.02840	5.1
133.06485	7.3
134.03615	0.9
135.04388	1.2
135.08003	1.9
137.05980	6.4
138.03117	1.2
140.04681	1.0
141.06966	1.3
142.02600	1.2
143.04932	1.0
143.06009	1.0
144.05688	1.2
145.06480	4.9
147.04405	1.8
147.08025	2.1
148.05185	10.7
149.05937	2.3
151.03891	2.6
151.07530	2.4
152.04625	1.2
153.05424	8.3
154.06169	0.8
155.07030	2.4
157.06480	1.6
159.04367	1.1
159.08081	0.8
160.05168	1.1
161.05997	7.6
162.06685	1.0
163.03899	1.0
163.07545	19.7
165.05489	6.7
165.09091	1.1
166.02576	0.9
166.06236	0.8
167.07034	55.7
168.07410	1.6
169.75476	0.6
171.06543	4.7
173.05992	6.5
175.07541	3.6
176.04701	2.0
177.05447	2.1
177.09125	1.7
179.07042	1.8
180.07802	2.8
181.04948	100.0
182.05341	2.2
182.15367	0.9
183.06522	1.2
187.07518	3.4
189.05423	0.8
190.06252	1.8
191.07031	87.5
192.07442	2.6
193.04955	4.3
193.08684	2.0
195.06529	3.2
195.21292	0.7
197.08041	1.6
201.05423	2.2
203.06960	3.0
205.06697	1.1
205.08553	6.0
207.06496	5.1
207.08249	1.2
207.10103	1.4
208.07281	4.6
209.06395	0.7
209.08017	3.2
210.14952	0.8
217.08594	2.5
219.06389	0.9
219.08240	1.3
219.10178	7.6
221.08107	1.5
225.07553	15.7
226.08339	2.7
227.57649	0.6
233.08037	6.6
234.08691	0.9
235.07494	1.5
235.09599	7.7
236.08167	0.7
237.05630	0.7
245.08133	1.8
247.07532	0.9
247.09837	0.9
263.09164	19.9
264.07791	1.1
267.10068	3.3
277.08472	0.7
278.08966	0.7
281.08270	0.9
291.06537	0.7
293.08090	0.9
295.09677	1.4
297.11087	1.6
307.09686	1.9
323.09482	1.2
325.10574	3.3
335.09131	0.8
337.10663	1.3
339.12253	1.1
353.10327	1.4
357.13394	6.3
359.15073	1.1
367.11621	1.5
369.13245	1.1
371.15015	1.2
381.13284	1.3
385.12744	10.2
386.13516	0.8
387.14502	1.9
399.14258	3.8
399.67960	0.7
417.15329	9.4
628.45789	0.7
642.45612	7.7
643.30603	0.9
643.35199	1.2
643.45947	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	643.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	0.3
59.15438	0.3
65.73365	0.2
67.05455	0.5
79.05441	0.4
81.06986	0.8
91.05445	0.4
105.07034	0.3
119.08478	0.3
154.03198	0.3
163.72305	0.3
167.51778	0.3
180.41304	0.3
220.44958	0.3
287.14142	0.3
355.20956	0.3
396.11932	0.9
397.13019	1.8
398.13785	1.1
399.14810	0.3
409.13254	0.7
410.13693	2.5
411.14523	5.5
412.15085	3.8
413.16122	2.5
423.14487	1.2
424.11392	1.7
424.15509	1.6
425.16168	11.6
426.16849	8.3
427.17459	1.8
428.18683	1.5
436.15454	0.4
437.16684	0.6
438.12115	2.9
438.17657	1.3
439.13550	12.4
440.13913	1.2
440.19180	4.8
441.19296	35.7
442.19528	4.7
451.13364	0.5
451.18616	0.5
452.14081	3.1
453.15237	15.6
454.15878	5.0
455.16162	0.5
455.21628	0.5
456.18417	0.5
463.13968	0.8
465.15726	0.6
466.12000	0.4
466.16730	0.6
467.17136	23.9
468.17883	15.2
469.18753	14.2
470.19354	1.4
471.16705	0.6
479.17093	0.4
480.17288	1.0
481.14771	14.8
482.15335	5.2
483.15576	0.7
484.17010	0.4
485.18228	0.7
486.18829	0.5
494.17175	0.4
495.16016	3.3
496.17145	13.9
497.17798	3.7
498.18869	0.6
499.19983	0.8
508.19696	0.6
509.18060	2.6
510.18707	0.9
512.20447	1.0
513.21558	0.5
514.22205	2.5
522.17877	0.6
523.19684	1.8
524.19965	0.9
526.19019	0.3
527.23541	2.2
528.24292	0.6
540.20160	0.9
542.21564	1.1
545.24084	0.4
551.19427	0.5
555.22449	23.0
556.22754	3.8
568.19586	0.6
569.20642	0.4
583.21887	100.0
584.22113	14.0
587.25104	1.3
611.21179	1.9
614.24231	0.4
615.24469	9.9
616.24786	1.6
643.23914	67.5
644.24139	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	643.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02197	1.5
55.05510	5.6
57.03443	3.1
67.05508	16.3
69.03430	2.1
69.07065	4.5
79.05496	15.9
80.45386	1.8
81.07063	32.6
83.04981	3.2
83.08621	2.0
85.06569	2.4
91.05467	11.4
93.07052	11.1
95.04955	9.3
95.08600	9.4
97.10173	2.9
105.07043	10.2
107.04952	2.3
107.08598	7.1
109.06507	12.3
109.10157	2.8
111.08067	2.6
117.07012	4.4
119.08601	8.2
121.10140	3.0
123.08086	2.2
131.08577	3.2
133.10129	3.7
135.08075	4.2
135.11693	4.0
145.10133	4.4
147.08057	4.4
147.11719	2.3
149.09615	2.7
157.10175	2.1
159.11749	2.0
191.10716	1.6
203.11884	1.6
211.12274	2.0
213.16296	1.9
223.12685	1.5
228.86580	1.9
235.12325	2.8
238.14713	1.7
249.14250	2.5
260.12393	1.6
261.14014	1.9
262.13455	1.6
266.36230	1.4
273.14087	2.0
273.18521	7.8
274.13370	1.8
278.59744	1.7
286.14020	2.1
291.19586	28.4
299.14032	1.6
302.16806	1.7
313.15668	1.8
314.16541	2.6
318.16138	3.2
335.25729	12.8
349.02759	1.8
351.16562	1.9
352.17856	3.8
363.16309	1.7
365.17996	3.1
365.23102	3.6
367.19501	2.7
375.17267	1.6
376.17368	1.6
378.19525	2.2
380.20465	2.2
381.20944	2.9
383.22253	1.8
389.17572	1.7
393.17120	4.7
394.18082	1.8
395.18671	5.1
407.18875	4.5
408.19385	3.1
409.20132	6.6
410.20795	2.8
421.20203	5.5
423.21857	11.9
424.22632	3.9
436.22894	2.4
437.23572	5.5
443.21863	3.7
447.21509	2.4
450.20471	2.1
452.22253	2.2
453.23538	1.9
454.20145	2.1
457.23892	1.9
461.23645	3.6
464.21817	1.8
465.22824	4.0
466.20874	2.3
469.25900	2.3
478.23535	1.9
479.25290	3.0
480.24063	1.6
481.22299	10.9
482.23044	2.4
494.23282	4.7
496.24719	9.1
497.25394	10.6
503.24326	3.5
507.24039	3.7
509.21701	2.2
511.26794	6.4
512.27368	6.1
523.23468	7.5
524.23901	7.4
527.26947	1.9
539.26575	23.0
540.27264	2.5
541.24579	2.1
556.27002	4.2
557.27539	4.2
567.26202	23.0
569.23560	2.4
571.25232	2.0
581.27673	2.4
582.25488	4.3
583.25665	22.2
584.26135	3.6
599.28650	100.0
600.29095	9.5
601.26520	7.7
611.25037	45.8
612.25043	3.1
625.26868	3.3
625.44403	8.2
643.27209	19.3
643.38733	3.1
644.27515	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.6
50.23629	0.3
50.26608	0.3
51.02386	0.3
53.03938	3.0
55.01613	0.7
55.01872	11.2
55.05511	31.2
56.05832	0.6
57.03436	8.7
57.07072	1.7
59.04995	1.3
65.03934	5.7
66.04731	0.7
67.05503	68.7
68.05840	0.7
69.03432	3.2
69.07067	20.1
69.23544	2.2
70.07385	0.4
71.04986	4.2
71.08633	0.8
73.02911	0.6
73.37023	0.3
77.03932	1.7
78.04723	0.3
79.05494	66.1
80.05833	0.7
81.03417	8.1
81.07056	100.0
82.07396	1.9
83.04981	16.5
83.08617	14.7
85.02902	4.6
85.06544	2.8
91.05477	39.7
92.05798	0.9
93.07043	59.8
94.04179	0.8
94.07382	0.9
95.04967	22.6
95.08604	38.2
96.08949	0.7
97.02892	0.8
97.06536	8.6
97.10169	16.4
99.04449	3.9
99.08094	2.4
101.09646	0.4
103.05494	1.1
105.04523	4.7
105.07030	27.3
106.07344	0.7
107.04959	5.8
107.08592	31.0
108.08940	0.6
109.02850	0.4
109.06520	9.5
109.07212	0.7
109.09406	0.8
109.10155	17.5
111.04446	17.4
111.08079	8.3
111.11673	0.5
113.06039	0.9
115.05486	1.6
116.06224	0.9
117.07019	12.6
119.08582	26.3
121.06503	7.5
121.07299	0.7
121.10141	24.5
122.10528	0.4
123.04453	1.0
123.08065	24.4
123.11691	4.0
124.08420	0.5
125.05992	1.6
125.09624	14.3
128.06261	1.6
129.05560	0.5
129.06996	5.0
130.07823	1.1
131.08566	17.7
133.06543	2.2
133.10123	12.6
135.08061	6.0
135.11693	15.6
137.09607	5.7
137.13289	0.4
139.07535	0.9
139.11176	1.7
141.06978	0.9
142.07819	1.1
143.08560	5.5
143.09610	0.5
143.10674	0.7
145.06509	1.1
145.10118	17.7
146.07367	0.4
146.10481	0.4
147.08052	7.5
147.09143	0.7
147.11671	7.6
149.09622	5.6
149.13266	4.7
151.11229	1.1
153.09117	3.1
153.12740	8.3
155.08563	2.4
157.06526	0.7
157.10126	4.1
159.08060	1.3
159.11697	7.5
159.12941	0.7
161.09634	3.4
161.13228	3.3
163.11177	14.8
163.14874	1.8
165.09105	3.9
165.12828	1.1
167.08562	0.6
167.10654	0.5
169.10164	2.1
171.08015	0.5
171.10213	1.7
171.11736	2.6
173.09644	2.8
173.13234	4.6
175.11189	2.6
175.14792	1.7
177.09113	0.5
177.12782	1.5
177.16449	0.4
179.10719	0.7
179.14226	0.5
181.10358	0.6
181.12228	10.6
181.13751	0.7
183.11736	1.1
185.13255	2.4
187.11253	1.0
187.14844	1.9
189.11220	17.7
191.10649	7.9
191.14317	0.8
193.10596	0.5
193.12228	2.9
195.11708	0.7
197.13298	1.1
199.11188	0.7
199.14825	0.9
201.12849	0.5
201.16388	0.7
203.14337	0.5
205.12338	0.8
207.13857	0.5
209.11736	1.5
209.13461	0.7
211.13223	0.6
211.15022	0.7
213.16498	1.1
215.18069	0.5
217.15930	0.6
217.19485	0.5
219.17485	0.5
221.11583	0.5
221.15327	0.6
223.13290	6.1
227.12767	14.3
227.18039	1.4
231.17509	0.4
233.15500	0.7
235.16913	0.4
237.14619	0.6
237.16629	0.7
241.19682	0.7
243.21281	1.3
245.19069	1.8
249.14972	1.6
255.17448	2.7
259.20746	1.0
261.22104	4.8
263.20145	1.7
273.18494	20.2
274.18750	0.5
275.20132	1.0
277.21677	0.6
283.15341	4.2
289.17966	0.5
291.19534	53.9
292.19821	2.2
293.21240	0.6
301.21466	0.4
309.17151	0.8
309.20486	3.3
317.24805	2.0
329.21188	0.5
333.24347	0.8
335.25797	43.8
336.26212	2.6
343.26334	0.6
347.22110	3.6
349.23822	0.5
365.23218	18.0
366.23486	0.7
505.35306	1.5
515.38452	0.6
533.39734	0.6
543.36969	0.7
551.41602	0.9
561.37494	1.8
569.42407	0.6
607.43408	1.8
625.44543	19.2
626.44794	2.3
643.46143	20.1
644.46692	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	643.457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.7
51.02362	1.0
53.03943	4.5
55.01621	0.7
55.01871	13.1
55.05512	37.1
55.79556	0.5
56.05838	0.8
57.03437	8.5
57.07066	2.2
59.04993	1.5
65.03938	4.8
67.05505	74.8
68.05830	1.4
69.03436	4.2
69.07069	23.5
69.07445	1.2
71.04993	5.0
71.08641	0.7
77.03912	2.0
79.05493	70.1
80.05820	1.6
81.03416	9.1
81.07056	100.0
81.26517	0.6
82.07390	1.8
83.04988	17.6
83.05489	1.1
83.08620	16.7
85.02914	4.8
85.06522	3.1
90.38822	0.7
91.05481	41.3
91.42907	0.7
92.05817	0.9
93.07044	64.0
94.04193	1.0
94.07394	1.4
95.01292	0.7
95.04968	27.3
95.08604	38.8
96.08939	0.8
96.11894	0.5
97.02913	1.1
97.06538	10.6
97.10165	18.1
98.10490	0.8
98.23429	1.4
99.04465	4.0
99.08108	2.3
103.05461	1.3
105.04503	5.8
105.07027	31.8
107.04955	6.6
107.08589	32.6
109.06519	10.5
109.10162	18.8
111.04442	18.4
111.08090	8.4
113.05975	1.4
114.48790	0.7
115.05473	2.2
117.07021	14.6
119.06153	0.6
119.08583	28.5
120.08981	0.7
121.05706	1.1
121.06509	7.5
121.10141	21.9
123.04457	1.3
123.08070	28.5
123.11674	3.2
125.06015	2.2
125.09633	18.0
128.06206	1.4
129.07013	6.6
130.07796	1.5
131.08566	17.7
132.08879	0.8
133.06505	2.5
133.10123	13.6
135.08046	6.0
135.11688	17.0
137.09645	6.3
137.13315	0.7
139.11195	1.2
141.07008	1.0
141.09218	0.6
142.07794	1.0
143.08542	6.8
145.06474	1.1
145.10109	19.1
145.11182	1.1
147.08028	6.8
147.11676	9.5
149.09595	6.4
149.13280	4.6
151.11223	1.5
153.09145	3.7
153.12729	8.2
155.08577	2.7
157.10094	4.9
159.08118	0.9
159.11700	8.0
161.09619	4.3
161.13223	3.6
163.11191	18.2
163.14859	1.1
165.09103	4.3
165.12808	1.5
167.08624	0.9
169.10191	2.4
171.10303	1.3
171.11758	3.0
173.09560	3.2
173.11826	1.3
173.13341	4.2
175.11174	3.2
175.14903	2.0
177.12830	1.3
179.10651	1.3
179.14406	0.8
181.10509	0.8
181.12238	8.4
182.12743	0.6
183.11728	1.3
185.13313	3.2
186.63527	0.6
187.11247	1.1
187.14931	1.7
189.11215	17.6
189.12552	1.4
191.10638	7.9
193.12256	2.8
195.11868	0.8
197.13312	0.7
199.11328	0.8
199.14931	1.1
201.12817	0.7
201.16458	1.4
205.12358	1.1
207.13922	0.6
209.11804	1.8
213.16486	0.9
215.17976	0.8
223.13257	5.1
227.12772	15.3
227.18121	2.0
241.14526	0.7
243.21202	1.4
245.19099	2.4
249.15044	2.0
255.17551	2.6
257.19180	0.7
259.20712	1.2
261.22128	5.2
263.20139	1.7
273.18463	19.0
273.21286	1.3
274.18994	1.4
275.20276	1.9
277.21631	0.8
283.15350	3.4
291.19540	56.4
292.20013	2.1
293.21457	0.9
299.23776	1.0
309.17291	0.8
309.20456	3.1
317.24893	1.5
333.24335	0.8
335.25790	33.5
336.26300	2.0
347.22092	3.2
365.23209	16.5
431.31522	0.9
441.19672	1.0
453.58234	0.6
469.18655	1.6
505.35577	1.4
513.18439	0.9
515.38818	0.9
533.40369	0.8
543.36768	0.9
551.41174	1.4
607.43494	1.3
611.25787	0.8
625.44672	15.4
626.45111	1.9
643.24048	4.3
643.45874	25.1
644.25647	1.1
644.46259	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	644.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01295	1.5
55.01870	3.4
59.03628	1.6
64.82893	1.4
65.03936	3.8
67.05518	1.7
67.99316	1.5
70.29029	1.4
71.05000	1.6
73.36071	1.4
75.04502	1.9
78.04719	2.2
78.48878	1.4
79.05501	5.8
85.02904	4.4
91.05497	10.5
93.03418	3.4
93.07034	2.5
95.04971	4.5
97.06539	2.7
102.04673	1.6
103.05472	19.3
105.07048	7.3
106.04176	6.5
107.04954	13.7
109.06476	1.5
110.03659	3.0
115.05453	6.0
117.07013	5.3
118.04171	5.3
119.04963	2.5
121.06502	10.2
123.04390	4.2
124.05260	2.6
125.06003	5.0
131.04919	19.6
131.08594	1.8
132.05630	2.2
133.06532	8.6
135.08086	2.2
137.06000	4.7
143.04933	2.7
145.06473	6.4
147.04500	2.0
147.07980	1.7
148.05202	8.7
149.05991	16.1
151.03954	2.1
151.07584	2.4
153.05472	5.0
153.09085	5.1
160.05003	1.7
161.05945	8.5
163.03934	3.6
163.07538	21.7
165.05490	2.2
167.07028	59.5
171.06535	3.5
173.05984	5.8
175.07526	3.7
176.04723	3.9
177.05455	15.0
179.06963	2.0
181.04958	75.4
181.08458	8.5
187.07541	4.4
190.06244	1.8
191.07036	100.0
192.07568	2.1
193.08647	3.7
195.06535	6.0
205.08621	3.0
206.07561	1.7
207.06537	3.3
209.08081	56.6
210.08466	2.2
217.08484	2.4
219.10204	6.9
233.08061	8.5
235.07529	2.0
235.09688	6.1
263.06674	2.4
263.09183	26.8
267.10074	3.1
297.11166	2.2
325.10577	4.0
337.10587	2.4
339.12119	2.4
357.13312	7.5
367.11630	2.9
369.13129	2.2
385.12823	14.1
387.14206	1.9
399.14307	2.3
407.82312	1.8
417.15405	13.6
442.14731	1.9
563.85431	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07069	1.5
69.64883	1.6
69.65266	1.1
71.76348	0.7
81.07053	1.5
86.53033	0.6
89.06026	1.4
93.07050	1.4
98.22719	0.8
100.40396	0.6
104.79936	0.6
133.08582	1.1
165.31839	0.6
195.00423	0.7
198.97508	1.0
313.41891	0.8
322.56989	0.7
444.18805	0.7
534.76776	0.8
551.20563	7.4
555.19977	0.9
569.21564	3.8
585.21832	4.0
586.21991	1.4
595.19556	11.2
596.20154	1.1
601.23346	4.5
613.20575	3.0
627.21503	5.0
645.23157	100.0
646.23181	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	2.1
67.05508	8.4
69.07074	3.6
69.35631	7.8
71.02238	1.3
75.04469	3.9
79.05485	7.2
80.05888	1.7
81.07059	10.2
81.17558	1.4
87.04489	2.6
89.06033	24.9
91.05476	4.3
93.07040	6.2
95.08611	6.2
98.22665	2.7
105.07010	3.9
107.08595	4.3
109.06529	1.7
109.10174	3.3
117.07031	2.0
119.08559	4.7
121.10171	2.9
123.08047	1.8
125.52886	1.7
131.08580	2.9
133.08611	12.5
133.10155	2.2
135.11681	1.6
137.20566	1.5
145.10112	4.1
177.11215	4.0
221.15514	1.9
251.16446	3.2
275.20053	1.5
277.18130	2.0
289.29193	1.4
335.26035	2.9
459.27914	5.3
459.94318	1.6
525.22595	3.4
551.20490	49.2
552.20819	4.9
569.21429	14.3
595.19586	12.7
596.19690	2.2
601.23816	15.3
627.22107	21.5
627.45624	3.4
628.22003	1.8
645.23071	100.0
645.42584	11.3
646.23505	11.4
655.96289	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
63.20446	0.3
65.03910	0.4
69.03421	1.2
73.02916	2.1
77.72046	0.3
82.06589	0.8
83.60686	0.3
85.02898	1.4
91.05511	0.4
97.02898	0.7
107.04967	0.8
115.05453	1.8
118.06551	2.2
120.04468	8.2
121.02850	1.0
121.88079	0.3
122.06028	0.6
127.03966	0.4
130.06531	20.1
131.48326	0.4
132.08078	1.5
134.06039	1.8
137.02336	0.3
140.04932	0.7
142.06523	10.0
143.07246	1.3
144.08093	4.2
146.06010	4.9
147.04361	0.4
150.05484	0.5
153.01772	0.7
158.05975	0.4
159.09200	0.4
160.06487	0.4
160.07582	9.8
160.08911	0.5
161.07092	6.1
163.03864	0.7
165.06609	1.0
168.06792	0.5
169.07614	19.1
170.06006	1.3
171.09192	0.7
172.07741	0.4
177.05368	0.5
181.07553	0.5
185.07152	1.8
185.09180	1.2
188.07068	1.9
195.02959	0.5
197.07120	0.8
205.06079	1.5
207.08011	0.4
215.08159	28.8
216.08461	1.1
217.08673	0.4
223.07082	1.2
231.06348	0.4
232.09885	0.4
233.10730	1.5
234.09163	1.9
236.10724	3.3
243.09035	0.6
246.09012	0.7
247.09895	1.3
249.10233	1.6
251.11848	1.0
259.06015	0.7
261.10226	100.0
262.08704	1.1
262.10950	20.4
263.11444	1.0
270.99246	0.3
273.10052	1.7
274.10916	0.8
275.11810	0.7
279.11285	21.6
280.11807	0.6
290.12857	0.6
305.06543	1.5
316.06174	0.4
319.10709	0.8
320.11493	1.1
323.12448	1.0
352.12625	3.2
367.11252	0.4
423.15454	5.1
424.16190	3.0
440.15851	0.7
441.16577	32.3
442.16898	2.1
514.18201	29.8
515.18536	2.9
555.19757	0.9
556.20380	2.5
573.20758	12.6
574.20776	1.5
646.22198	1.9
653.36212	0.4
672.40265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.0
55.05514	2.6
55.56895	0.8
57.03436	11.6
59.05006	2.1
60.04543	0.9
61.02929	1.2
67.05505	3.5
69.03429	39.7
69.07069	6.4
69.43695	0.8
70.31065	1.9
71.01366	1.1
71.04996	1.1
73.02915	4.7
79.05492	7.8
81.03416	2.5
81.07059	9.9
83.08614	1.9
85.02905	32.5
87.04465	25.4
91.04955	0.8
91.05454	4.3
93.07048	7.8
95.04987	2.1
95.08598	16.3
97.02895	42.4
97.06523	2.2
97.10158	2.1
99.04436	1.4
105.07027	14.5
107.04981	1.3
107.08595	13.9
109.02863	1.4
109.06594	1.4
109.10157	12.5
111.11735	1.5
115.03932	47.5
119.08575	14.1
121.06509	1.3
121.10134	14.0
123.04436	2.4
123.11722	4.7
125.05990	9.8
127.03914	4.0
131.08598	4.2
131.87257	0.9
133.04965	41.3
133.10123	8.3
135.11710	6.4
137.05997	2.8
137.09560	1.0
137.13248	2.0
139.07553	1.0
143.08574	1.9
145.04996	4.7
145.10124	8.1
147.11676	8.2
149.05978	1.6
149.13243	5.2
150.07643	2.2
151.03923	1.4
151.07608	1.4
152.04654	1.2
155.10718	1.2
157.10139	2.4
159.08096	1.0
159.11736	5.6
161.13261	5.1
163.14850	1.1
167.07042	61.4
168.07359	1.4
169.04999	1.5
171.11639	1.8
173.13313	5.9
175.11182	1.6
175.14850	2.9
177.16371	2.1
179.10669	1.7
179.25964	0.9
183.11746	1.4
185.21420	0.9
185.33604	1.0
187.14877	3.9
189.16357	10.5
191.07095	1.6
191.10696	1.0
193.08643	3.2
193.12297	3.6
197.13345	1.3
201.12730	2.1
201.16576	1.0
203.14323	1.1
205.08745	1.5
207.13826	2.2
209.08084	2.7
211.09639	3.7
215.14281	1.1
219.13806	2.0
221.15369	2.1
227.18018	2.3
229.19595	3.7
241.07147	1.1
243.21048	7.8
253.19395	5.6
259.08176	3.2
269.95892	1.0
271.20596	11.5
281.18826	1.2
289.21613	20.4
295.10242	1.4
299.20160	2.8
307.79987	1.2
317.21109	100.0
318.21500	3.4
335.22156	35.7
385.23822	0.9
402.98721	0.9
431.24265	3.4
433.63391	1.0
443.24252	1.3
449.25317	13.9
461.25153	2.0
629.22809	1.1
646.32593	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.3594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01854	1.2
55.05513	4.9
57.03432	13.4
57.07088	1.5
59.04996	2.7
60.04503	1.2
61.02927	1.3
67.05501	8.6
69.03430	49.7
69.07072	8.5
69.12136	0.9
71.04985	1.0
73.02911	3.8
77.87829	1.0
79.05490	10.7
81.03413	2.3
81.07058	20.4
83.04980	1.3
83.08633	5.2
83.21767	1.0
85.02903	36.6
85.06573	1.0
87.04465	30.4
91.05470	7.4
93.07040	12.8
95.04955	2.0
95.08603	24.4
97.02895	46.7
97.06530	2.5
97.10181	1.8
99.08080	1.5
105.07030	26.7
107.04951	1.4
107.08589	20.6
109.02893	2.3
109.10144	13.7
111.04491	1.2
111.08063	1.6
111.11733	1.3
115.03931	49.7
117.07032	3.6
119.08578	25.0
121.10144	12.1
123.08055	1.9
123.11730	5.5
125.05973	6.6
125.09625	1.9
127.03921	4.7
130.07784	1.1
131.08548	12.1
133.03954	2.4
133.04965	42.7
133.10130	12.8
135.08064	1.2
135.11703	6.0
137.13275	1.8
143.08566	3.7
144.06479	1.5
145.04909	7.5
145.10123	25.7
145.11220	1.7
147.11661	10.3
149.09612	1.4
149.13307	6.8
150.07617	4.2
151.07576	1.3
157.10133	5.3
157.55579	1.1
159.11691	14.8
161.09590	1.4
161.13266	8.1
163.06023	1.8
163.14818	3.9
165.30434	1.0
171.11682	6.4
173.13274	9.6
175.11211	1.8
175.14842	7.1
177.16418	2.8
185.13284	6.6
187.14810	6.5
189.16360	4.5
199.14825	7.3
201.16394	2.9
203.14348	2.8
203.17937	2.1
213.16348	2.8
215.17960	3.0
221.15410	1.1
227.17909	1.6
229.19643	3.5
241.07233	1.8
241.15936	1.0
255.21051	12.7
256.21228	1.4
259.08170	2.5
271.24271	7.2
273.22018	7.5
283.20605	1.9
291.23157	3.0
301.21603	20.5
319.22675	100.0
320.22922	4.1
325.11386	1.3
327.62820	1.1
393.95996	1.1
433.25833	2.2
436.22546	1.4
451.26898	37.5
452.26993	2.4
481.28067	2.4
483.20801	1.1
613.32434	1.3
619.51270	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.68477	1.0
69.68804	1.2
71.81049	0.6
89.06012	1.0
91.05494	0.8
95.05010	0.8
96.60151	0.7
97.10181	0.7
105.07076	1.0
107.08632	0.8
119.08626	1.7
121.10177	1.0
123.08057	0.9
133.10144	0.8
169.43907	0.8
184.07326	0.8
193.04958	0.7
221.84105	0.7
302.57666	0.7
437.20346	0.6
529.25079	0.7
615.52509	0.6
631.38873	1.6
631.61725	0.7
649.40680	100.0
650.40894	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	650.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00213	0.1
56.05022	0.6
57.07053	0.2
58.06622	0.5
60.08162	6.2
67.05511	0.7
71.07372	3.1
71.08596	0.2
81.07044	0.2
84.16040	0.1
86.09702	31.5
87.10031	0.3
98.98457	2.8
104.10742	2.1
109.10123	0.2
124.99999	20.7
136.11717	0.2
136.16585	0.1
136.46507	0.1
143.01068	0.2
158.23068	0.1
165.28140	0.1
184.07333	100.0
185.07680	0.9
211.67935	0.1
299.09369	0.1
478.32904	0.2
570.37030	0.1
634.80786	0.1
650.43848	7.6
651.44366	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.2816
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
50.86549	0.5
91.18851	0.6
95.08652	1.1
147.41931	0.6
184.07314	0.8
375.17120	0.6
387.16406	0.7
388.17737	0.8
391.19379	1.0
392.20084	0.9
399.16489	1.7
400.16940	2.3
401.17886	4.4
405.81769	0.6
407.22464	2.2
413.17838	2.6
414.18576	3.7
415.19214	8.5
417.20963	1.1
420.19580	0.8
425.18063	1.1
428.20142	2.6
429.21265	7.6
430.21600	2.4
434.21515	1.5
435.22025	1.7
439.19250	0.8
441.16980	0.9
442.17624	1.7
443.18555	3.1
443.22855	2.8
444.18622	3.9
445.20230	2.3
447.17841	0.8
455.18781	1.4
456.19632	1.7
457.20654	3.6
458.21191	3.9
459.18054	1.5
461.19809	1.2
471.22220	6.3
472.23438	5.6
473.19223	3.6
474.20670	2.3
475.18079	0.8
484.18881	1.3
485.19788	2.0
486.20441	5.2
487.21268	2.5
489.23068	1.1
490.19904	1.3
499.21292	7.2
500.22949	2.9
501.19562	1.1
502.20020	1.2
503.24866	3.3
516.21930	0.9
517.22369	5.9
527.20831	2.4
528.21869	1.1
530.23218	0.8
531.23993	10.1
532.24377	1.3
543.23956	1.3
549.24988	4.8
559.23425	70.2
560.23669	7.3
587.22931	13.7
588.23016	1.1
619.25531	100.0
620.25787	7.6
651.28101	25.5
651.39355	0.9
652.28021	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	653.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05042	1.9
55.05532	2.4
57.52133	2.1
60.08161	7.0
67.05531	4.2
70.89198	1.9
71.07375	4.8
71.15723	2.0
81.07069	3.2
86.09708	28.4
87.10056	8.2
95.08590	2.3
98.98473	3.1
104.10775	3.8
119.08578	2.1
125.00002	24.7
126.00298	2.1
127.00451	3.6
184.07347	64.6
185.07739	18.8
186.07758	11.6
221.29141	2.6
249.10167	3.8
352.14600	3.5
363.16458	4.2
370.15723	3.1
377.17761	8.3
378.18329	5.0
389.17807	4.8
390.18298	2.9
391.19147	16.1
392.20148	5.0
393.20779	7.7
401.17822	3.2
405.16321	2.8
405.20938	13.2
406.21481	2.7
407.22281	13.6
419.18170	3.6
419.22849	3.8
421.20285	9.3
434.21310	6.2
435.22092	19.5
436.23599	2.7
437.20029	3.8
447.22324	4.8
449.19492	2.9
451.21445	9.8
458.17245	3.2
459.17477	2.9
461.19592	3.9
463.21136	2.9
465.18954	13.5
466.19656	2.6
473.19818	4.4
474.20883	3.5
475.21387	5.4
477.18973	2.9
479.20712	28.6
480.21503	7.9
487.21326	2.4
492.22305	2.9
501.19391	7.4
502.40884	2.3
505.18085	5.1
507.23947	5.0
515.20856	10.7
516.21704	5.3
517.22449	36.0
518.22345	4.9
521.25592	9.3
522.26031	6.3
533.21973	4.5
537.24622	4.6
547.23212	4.3
549.25092	37.4
550.25787	2.9
551.22888	13.1
565.24500	8.5
566.25159	33.5
567.25403	3.7
575.22614	10.3
576.24005	4.5
593.23914	20.8
594.24377	5.2
607.25470	7.2
609.26947	10.9
625.26624	5.2
635.14563	3.9
635.25043	84.1
636.25507	8.4
652.45050	6.0
653.26031	100.0
654.26538	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	653.2608
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
69.05608	0.6
71.46539	0.8
79.05502	0.9
93.07077	0.7
95.08644	0.8
97.23734	0.7
98.14093	0.6
109.10157	0.6
112.89549	0.6
124.10435	0.7
219.25914	0.7
251.08252	0.7
259.59103	0.9
378.14606	0.7
393.17288	0.9
403.15445	0.9
405.17355	1.2
407.18765	2.5
417.17242	1.5
418.17758	1.7
419.18823	2.2
421.16595	2.3
431.14505	1.3
431.19531	0.9
433.20782	3.9
434.16724	1.0
435.18167	5.3
436.18805	1.3
445.15881	3.4
446.17548	1.5
447.18005	1.9
448.19275	1.0
449.20639	1.5
450.20636	1.8
451.21356	1.5
459.18579	1.8
460.18762	2.0
461.20059	4.6
462.16977	0.8
463.17590	6.3
464.18524	2.6
473.15405	1.1
475.17123	1.2
477.19095	2.9
478.20099	5.0
479.20355	1.4
487.17374	0.9
488.18503	1.4
489.19373	2.1
491.17444	2.6
492.17792	3.2
493.22119	0.9
505.18399	1.7
519.20337	1.6
521.22107	1.3
533.21594	0.9
547.23456	9.8
549.20880	4.2
550.22479	1.2
551.19165	1.5
564.23621	0.9
565.24591	3.8
575.23016	5.0
576.22906	1.0
578.21649	2.5
579.22174	1.3
593.23926	11.2
607.25446	4.0
621.23645	1.6
624.24756	1.0
635.24945	30.1
636.25525	2.1
638.23529	2.9
653.25995	100.0
654.26422	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
69.05608	0.6
71.46539	0.8
79.05502	0.9
93.07077	0.7
95.08644	0.8
97.23734	0.7
98.14093	0.6
109.10157	0.6
112.89549	0.6
124.10435	0.7
219.25914	0.7
251.08252	0.7
259.59103	0.9
378.14606	0.7
393.17288	0.9
403.15445	0.9
405.17355	1.2
407.18765	2.5
417.17242	1.5
418.17758	1.7
419.18823	2.2
421.16595	2.3
431.14505	1.3
431.19531	0.9
433.20782	3.9
434.16724	1.0
435.18167	5.3
436.18805	1.3
445.15881	3.4
446.17548	1.5
447.18005	1.9
448.19275	1.0
449.20639	1.5
450.20636	1.8
451.21356	1.5
459.18579	1.8
460.18762	2.0
461.20059	4.6
462.16977	0.8
463.17590	6.3
464.18524	2.6
473.15405	1.1
475.17123	1.2
477.19095	2.9
478.20099	5.0
479.20355	1.4
487.17374	0.9
488.18503	1.4
489.19373	2.1
491.17444	2.6
492.17792	3.2
493.22119	0.9
505.18399	1.7
519.20337	1.6
521.22107	1.3
533.21594	0.9
547.23456	9.8
549.20880	4.2
550.22479	1.2
551.19165	1.5
564.23621	0.9
565.24591	3.8
575.23016	5.0
576.22906	1.0
578.21649	2.5
579.22174	1.3
593.23926	11.2
607.25446	4.0
621.23645	1.6
624.24756	1.0
635.24945	30.1
636.25525	2.1
638.23529	2.9
653.25995	100.0
654.26422	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2967
Annotation	Haplophytine
Peak:m/z	Relative Intensity
56.05033	13.9
61.01149	15.1
65.19866	0.7
69.07076	2.1
69.68459	2.2
69.68809	1.4
70.02955	6.5
74.43110	0.8
86.09704	17.8
87.05589	100.0
88.03981	1.6
91.05475	2.3
92.66564	0.8
93.07024	0.7
98.02398	1.1
98.06054	15.4
103.05466	2.0
104.05324	42.7
117.62522	0.9
120.08100	47.3
130.06543	5.9
146.06337	45.3
157.06245	0.9
167.07054	2.3
172.07532	2.3
173.07471	1.8
174.05835	32.2
175.03818	0.9
175.06230	0.9
175.08649	3.2
200.07016	4.6
205.04727	0.9
217.09753	6.2
219.13449	1.7
233.16476	3.7
234.12367	15.5
245.09236	2.1
261.15836	2.1
262.11847	5.4
288.10098	64.6
289.10373	1.8
330.18216	1.5
375.20270	3.3
390.14841	2.2
407.17453	30.6
408.17706	1.4
432.56702	1.3
435.16943	56.9
436.17004	2.8
461.65802	0.9
503.23172	2.7
548.25281	2.4
635.21161	1.1
653.21991	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	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56483	1.6
51.01134	1.4
51.66533	1.3
55.21508	1.3
62.30175	1.3
71.44783	1.9
86.09724	3.6
100.11255	5.4
102.48255	1.4
104.02453	1.4
106.31627	1.4
119.08636	2.2
120.04463	2.0
136.07552	1.7
141.13232	1.5
164.07193	1.6
174.77126	1.3
184.07289	3.5
220.06024	2.4
225.10490	1.9
232.34515	1.6
277.06088	2.0
313.15781	1.6
313.63156	1.6
330.15976	1.8
331.16721	2.0
332.17465	1.5
340.14410	1.8
342.16113	2.0
344.17407	3.5
394.11649	1.7
395.12421	1.7
403.19031	1.8
404.19385	2.2
409.13785	1.6
418.21152	4.9
419.21945	6.5
424.16431	3.7
432.23068	2.2
444.22867	1.8
446.24396	3.3
446.79947	1.6
461.12225	1.8
461.19885	2.5
489.14972	1.9
523.23151	3.0
525.28357	1.7
533.25226	1.8
546.22980	2.6
549.24823	2.7
553.28040	2.0
559.19666	4.5
561.25085	3.2
576.19604	8.2
589.24158	8.9
591.22357	30.9
592.22504	2.9
593.27057	2.2
606.24597	11.0
609.27039	2.4
621.27051	100.0
622.27551	7.9
625.45245	2.8
639.28198	48.2
640.27960	8.0
653.28589	10.1
653.42236	7.4
654.27899	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07074	2.3
69.09785	9.0
83.04976	2.4
90.77947	1.7
93.89341	1.7
98.22611	2.7
147.11589	3.1
154.71452	1.4
158.02408	1.4
178.51331	1.6
210.11411	1.9
223.12404	3.0
225.13971	3.8
230.76144	1.4
237.13908	3.1
239.15587	2.0
239.23773	1.5
249.10266	1.5
337.02505	2.9
337.12115	1.4
338.12717	1.5
366.90399	1.4
403.19043	2.1
416.15997	2.7
429.16977	3.5
431.18417	2.4
446.20807	1.9
447.21777	4.1
454.17023	2.3
459.21765	4.3
472.18887	1.7
475.21155	1.5
487.21191	11.5
488.22009	2.2
501.23129	2.4
515.20691	2.1
518.23431	1.5
519.24097	4.0
529.22284	4.3
533.25208	3.5
534.22400	1.6
547.23346	2.0
561.24957	83.9
562.25153	8.9
581.24194	4.1
589.24121	7.2
592.25232	1.6
609.04810	1.7
613.36212	1.5
621.27057	100.0
622.27509	8.8
635.24731	2.0
637.30005	5.2
653.24628	2.1
653.33594	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96307	0.3
70.20398	0.7
70.20726	0.4
73.34053	0.3
91.05453	0.5
94.06530	0.6
98.23528	0.4
105.07005	0.4
118.06502	0.8
120.08048	1.2
130.06519	0.4
138.05466	0.6
144.04388	0.3
144.08066	0.4
157.72638	0.3
158.09662	0.5
172.03967	0.6
184.07510	0.5
195.09106	0.8
196.09831	0.6
197.10709	0.8
204.06442	0.6
207.09065	0.9
208.09897	1.1
209.10706	2.0
210.11440	1.9
211.08740	0.4
211.12201	1.4
212.12996	0.6
219.09052	0.4
220.09903	0.5
221.10690	1.5
222.11455	1.2
223.08638	0.9
223.12283	3.1
224.13005	1.4
225.10239	0.5
225.13855	4.9
226.14551	1.6
233.10703	0.6
234.11426	0.7
235.08592	1.1
235.12262	1.2
236.09238	0.6
237.10173	1.2
237.13805	2.8
238.14470	0.9
239.15468	1.2
247.08580	0.4
247.12280	0.9
249.10231	2.2
249.14044	1.8
250.10957	0.8
251.08061	0.8
251.11780	0.7
263.08148	0.3
263.11755	0.8
265.09628	0.6
265.13303	0.4
270.13553	0.8
273.13821	0.6
275.15384	0.8
277.09729	1.2
293.09189	0.6
293.12653	0.4
297.12546	0.4
298.13412	0.5
301.12302	0.5
305.09366	0.3
308.11603	0.5
309.12338	0.7
312.11557	0.4
312.15057	0.3
314.12936	0.4
314.16483	0.5
322.13748	0.3
323.14191	0.4
324.11127	0.4
324.14703	0.5
325.12039	0.5
326.12881	0.9
326.16547	0.4
335.10178	0.5
335.14471	0.3
336.11136	0.6
337.11911	1.7
338.12741	1.6
338.16492	0.5
339.13651	0.6
340.14404	1.0
342.15851	0.4
350.12939	0.9
351.13727	0.7
352.14374	1.5
354.16052	0.8
355.12756	0.4
364.14310	0.6
366.16058	1.3
368.13870	0.5
380.13724	0.5
382.15771	0.7
384.13657	0.4
387.16568	0.7
388.17072	0.6
389.17886	1.0
394.15591	0.9
395.12390	0.4
396.13358	1.3
399.16449	0.6
400.17734	0.4
401.17767	1.2
402.18509	1.0
403.19769	1.6
410.15002	0.5
412.16818	0.6
414.14853	0.7
415.15439	1.4
415.19562	1.1
416.16132	1.4
416.20657	0.9
417.16748	1.3
417.20779	1.6
426.18195	0.6
428.16370	0.6
429.17096	2.5
430.17465	1.8
431.17978	4.0
431.23218	1.0
432.19568	1.0
433.20010	0.5
440.15936	0.6
442.13684	0.5
443.18936	2.1
444.19778	2.1
445.20273	3.6
446.21017	4.0
447.22003	3.8
454.17664	1.3
455.18359	0.4
457.16394	1.0
458.21069	1.0
459.22574	5.4
460.22873	1.7
461.23694	0.6
471.18216	1.4
472.18799	1.5
473.18405	1.5
473.23877	1.1
474.19543	2.1
475.21143	3.1
487.21344	11.0
488.22409	1.6
489.22836	0.8
499.17773	0.4
501.22998	5.0
502.23425	1.3
503.20193	1.5
504.21582	0.8
506.24109	0.4
515.20691	2.8
517.22333	0.8
518.23114	1.0
519.24146	2.6
520.24359	0.6
529.22339	4.1
531.20288	1.2
532.20923	0.6
533.25696	4.6
533.84540	0.4
534.22589	1.5
535.22998	0.5
546.22766	0.8
547.23358	2.4
548.24500	0.5
561.24982	97.7
562.25354	9.4
589.24500	7.9
590.25122	0.6
593.27490	0.9
621.27063	100.0
622.27411	9.8
653.29584	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2973
Annotation	Haplophytine
Peak:m/z	Relative Intensity
56.81466	1.0
58.69232	1.1
80.44193	1.2
83.37529	1.4
93.35693	1.2
98.22707	2.8
106.34319	1.2
246.63063	1.2
317.43350	1.4
327.16837	1.2
341.33853	1.2
389.17874	1.8
403.19647	1.5
404.20291	2.1
405.20764	6.1
419.22275	7.1
433.24194	3.0
434.24719	2.5
449.19855	2.9
450.20471	1.6
463.21341	5.0
464.22238	1.7
465.23044	1.7
475.21481	2.2
477.22791	3.0
478.23697	2.5
479.24466	21.1
480.24789	1.9
487.21457	4.6
491.20639	2.1
493.26016	1.6
501.23245	2.1
505.25861	1.6
507.27527	12.8
533.25586	3.2
537.25061	5.7
551.26544	19.1
552.26398	2.5
561.25037	4.7
565.27863	12.7
566.28894	64.0
567.29016	6.2
593.27643	9.0
609.62994	1.6
621.27124	14.5
622.27380	1.5
635.28876	3.6
653.29718	100.0
654.30396	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	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.84490	0.9
67.05521	0.8
82.22115	0.8
91.05465	0.9
91.54552	0.9
93.07077	1.2
95.08643	1.1
97.11096	1.0
97.40503	0.8
98.22686	1.6
118.06522	1.8
120.08113	1.6
132.08125	0.8
136.20987	0.9
175.49037	0.9
195.09219	0.9
196.09967	1.5
197.10738	1.1
207.09198	1.2
209.10776	2.8
210.11511	2.4
211.12276	1.9
221.10735	2.0
222.11401	1.1
223.08797	1.0
223.12236	4.0
224.12939	1.2
225.13841	7.5
226.14540	1.8
235.08641	0.9
235.12393	2.3
237.10233	1.7
237.13834	5.3
238.14731	1.5
239.15448	2.1
239.26697	0.9
249.10184	2.9
249.13945	3.1
250.07092	0.8
250.11107	0.9
263.08112	1.0
265.09769	1.0
275.08078	1.0
277.09729	2.6
295.10907	1.3
300.15128	0.9
325.12079	1.6
326.12793	0.9
335.10660	1.0
336.11200	1.0
337.11768	2.6
338.12817	1.2
340.14590	1.3
352.14581	2.0
366.16034	1.4
382.15689	1.0
387.16220	1.2
389.17719	1.2
399.17233	0.9
401.17966	1.6
402.18784	1.7
403.19324	1.5
414.14618	1.4
415.15640	2.4
416.16113	1.5
417.16614	2.1
417.21381	1.7
418.17337	1.3
426.14508	1.0
429.17273	3.6
430.18033	2.9
431.17862	4.2
431.23047	1.6
432.19196	2.2
443.18637	3.8
444.19330	3.2
445.20618	4.2
446.21042	5.5
447.21997	7.2
454.17584	1.5
457.15891	1.2
459.22519	5.5
460.22501	2.4
461.23587	1.5
471.17822	1.7
472.19101	1.8
474.20590	2.7
475.21198	5.0
487.21548	15.1
488.21838	3.0
501.23056	6.0
502.19617	1.6
503.20346	1.8
514.20105	1.1
515.20892	3.9
516.21991	1.1
517.20660	1.2
518.23053	1.4
519.24133	6.9
529.22296	5.0
531.19946	1.5
533.25708	5.7
534.22491	2.5
546.22205	1.2
547.23254	5.2
561.24945	75.4
562.25366	6.4
589.24463	4.6
621.27051	100.0
622.27350	10.1
647.62079	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.297
Annotation	Unknow
Peak:m/z	Relative Intensity
67.44487	0.5
71.39896	0.5
79.70338	0.5
99.87698	0.5
169.32535	0.6
173.10771	0.6
204.06526	0.9
209.10721	1.1
210.11485	0.7
211.12318	0.8
221.10744	0.8
223.12338	2.2
225.13831	3.4
226.14539	1.2
234.11548	0.7
235.08548	0.7
235.12277	1.3
237.10316	0.8
237.13882	1.7
239.15509	1.1
249.10287	1.2
249.13875	1.2
273.13486	0.7
277.09671	1.0
293.09213	0.9
297.12448	0.7
326.12686	0.6
337.11948	1.1
350.12738	0.6
352.14459	0.8
356.14279	0.6
366.15820	1.0
394.15811	0.7
401.17740	1.5
402.18851	1.2
403.19467	0.7
414.14548	0.6
417.16391	0.9
417.21219	1.2
426.17627	0.7
429.17230	1.6
430.17670	1.1
431.17722	2.9
442.13934	0.7
443.18842	1.9
444.19263	1.2
445.20309	2.6
446.21210	3.1
447.21765	2.2
454.17633	1.8
459.22443	3.7
460.22604	1.0
471.18250	1.2
472.18762	1.4
473.23944	0.9
474.19812	1.1
474.25165	0.6
475.20798	2.7
487.21362	8.5
488.21738	1.7
501.23318	3.5
502.20016	0.7
503.20792	0.8
515.20538	2.1
518.23553	0.7
519.23938	3.0
529.22192	2.8
531.20215	0.7
532.21344	0.7
533.25580	4.0
534.22620	1.8
547.23389	2.7
548.23859	0.8
561.24982	93.4
562.25256	9.4
585.02557	0.8
589.24591	8.7
593.27356	1.1
621.27051	100.0
622.27576	11.0
649.51752	0.7
653.29968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41889	1.2
52.85097	1.1
97.40047	1.2
115.33688	1.2
141.17021	1.3
192.67706	1.3
208.09866	1.5
209.10626	3.0
210.11505	3.8
211.12469	2.1
221.10667	3.1
223.12440	3.1
225.13884	7.7
235.08730	2.4
235.12306	2.1
237.10208	1.2
237.13893	3.6
249.10167	3.2
249.13901	2.3
269.12839	2.0
270.51547	1.4
277.09595	2.0
326.13013	2.1
337.11835	1.7
338.12576	1.7
352.14191	1.5
366.16061	2.6
397.73856	1.5
401.17767	2.4
402.18683	1.9
403.19333	2.8
415.19678	2.9
417.16656	2.0
429.16956	3.9
430.17770	1.8
431.18582	3.8
443.19147	2.7
444.19373	2.3
445.20212	3.9
446.20865	2.8
447.21774	4.1
457.16318	2.4
459.22360	6.1
460.22357	1.8
461.23618	1.5
472.18451	3.0
473.19263	1.7
474.20068	3.5
475.21320	3.5
485.23648	1.7
487.21381	12.4
488.21741	2.1
501.22748	4.4
515.20618	3.2
519.23724	4.4
529.22424	3.4
533.25421	3.4
547.23572	1.9
561.24988	89.0
562.25146	10.5
589.24390	7.5
603.22107	2.2
621.27045	100.0
622.27325	12.2
635.24390	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91847	0.1
53.03927	0.1
53.65089	0.1
57.03452	0.2
63.02384	0.4
64.40961	0.1
68.53181	0.1
69.03432	0.7
69.24049	0.7
73.02908	0.2
76.01472	0.1
77.03920	0.1
79.05508	0.8
81.03389	0.2
85.02891	0.5
88.95473	0.1
89.03917	5.1
95.04973	0.4
97.02869	0.3
107.04949	2.0
109.02943	0.2
115.90123	0.1
117.03382	6.8
127.03899	0.4
135.04414	14.9
136.04744	0.4
141.44884	0.1
145.02850	11.4
146.03218	0.3
163.03900	100.0
164.04225	2.1
164.07065	0.1
177.05458	0.2
180.06575	0.2
181.04941	0.8
198.49785	0.1
205.10614	0.2
210.05258	0.1
249.08060	0.1
289.53418	0.2
293.06595	0.2
295.04495	1.5
307.08115	1.4
311.07629	0.2
325.09195	1.3
560.38989	0.1
565.18842	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	654.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76619	1.1
55.05514	2.1
57.07057	1.3
61.21240	1.1
67.05489	1.6
71.46741	1.4
78.97812	1.2
81.07070	1.5
83.04993	6.3
96.10110	1.2
103.54522	1.2
119.08612	1.9
129.07013	1.4
147.11711	1.1
165.72018	1.2
175.01614	3.5
181.02690	5.4
182.15755	1.2
227.31938	1.2
238.73897	1.4
263.27216	1.2
303.22537	1.3
313.12033	3.2
404.19574	1.5
420.22726	1.8
432.18262	3.6
433.18994	4.5
433.24008	2.8
434.23672	3.6
446.19632	2.1
447.20901	5.0
448.21887	6.4
449.20209	2.0
450.20343	2.0
461.22211	1.4
462.22992	26.4
463.22006	4.5
465.22916	2.3
468.25403	1.3
477.23041	1.5
478.23749	2.0
479.24591	3.7
491.23965	1.8
492.25430	3.6
501.22757	1.7
502.25766	1.7
506.21570	3.5
517.24805	4.0
518.25946	2.2
519.24042	2.8
520.22937	3.1
530.31421	1.3
534.25153	1.7
535.25891	11.1
536.26190	1.5
543.18842	2.3
551.26550	13.2
552.26978	2.3
553.27600	1.2
562.24170	5.7
563.25543	1.3
594.26941	11.1
599.25079	6.5
622.26196	10.3
623.26123	1.7
654.29230	100.0
655.30115	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	654.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07092	0.2
65.16169	0.2
66.36959	0.2
75.40005	0.2
81.07113	0.3
83.05001	0.9
98.22707	0.5
121.88073	0.2
131.02209	0.2
141.95410	0.2
148.34830	0.2
152.07050	0.3
175.01595	0.3
181.02657	0.3
198.11797	0.2
221.15913	0.2
223.12395	0.3
235.12408	0.2
251.15500	0.3
300.14783	0.4
300.91638	0.2
302.16827	0.2
313.11865	0.4
314.16467	0.4
325.15015	0.2
375.16315	0.4
376.16812	0.6
377.17688	1.1
378.18805	0.4
379.18677	0.2
388.16879	0.3
389.17685	1.0
390.18152	1.3
391.19110	2.5
392.19827	2.9
393.20819	0.8
402.17297	0.3
403.19165	1.3
404.19690	2.2
405.20749	5.3
406.21341	3.0
407.22220	2.2
416.19339	0.4
417.20898	1.8
418.16122	1.1
418.21414	1.8
419.17392	2.4
419.22284	3.1
420.17914	0.5
420.22775	2.7
421.18185	0.2
421.23810	6.1
422.23920	0.8
430.20380	0.5
431.21841	0.7
432.17438	1.9
432.23697	1.1
433.19000	4.6
433.24020	2.5
434.19778	6.9
434.24231	2.5
435.19046	0.8
435.24261	0.7
436.19180	0.4
436.24985	1.1
443.19916	0.3
444.22113	0.5
445.19284	0.3
445.23398	0.2
446.19437	1.0
446.23883	1.3
447.20215	3.4
447.26166	0.4
448.21344	21.2
449.20041	3.2
450.20468	1.0
451.21295	0.6
460.21835	0.8
461.22363	1.9
462.22882	19.4
463.22864	2.9
464.22293	0.9
465.22791	4.3
466.23105	0.3
470.20096	0.3
474.22568	1.1
475.25116	2.8
476.26031	1.0
477.22955	1.4
478.18143	0.5
478.24313	1.8
479.24011	0.5
485.21704	0.3
488.24039	0.4
490.22055	1.4
491.23999	0.5
492.19861	2.2
492.26465	0.4
493.26129	1.2
500.24570	0.7
501.22842	2.3
502.23181	0.9
503.23407	0.4
505.25809	0.6
506.21915	0.7
506.28912	0.5
507.20773	0.3
507.27725	5.0
508.28445	1.8
516.23724	1.4
517.24731	3.1
518.25366	2.0
519.24573	0.7
520.23627	0.3
521.24420	1.6
522.23456	0.5
528.24164	0.3
532.26886	0.6
533.25592	3.7
534.25287	0.9
535.25665	0.6
536.24512	0.3
537.24884	0.6
543.19354	0.3
548.26611	2.8
549.27423	4.6
550.28131	23.0
551.26642	14.7
552.27234	2.8
553.27753	1.2
560.26434	0.5
562.25104	0.4
576.26074	4.9
577.26416	1.0
578.27838	0.8
594.27075	7.7
595.27405	0.9
599.24805	0.5
610.30206	11.2
611.30737	0.7
622.26648	0.7
636.28180	3.5
637.28351	0.4
654.29193	100.0
655.29498	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	654.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	16.1
57.07099	21.1
67.05499	58.0
69.07070	24.3
69.28957	83.4
71.08630	21.8
79.05499	64.3
81.07052	50.7
83.01673	17.8
83.04998	16.7
91.05478	42.6
93.07025	25.5
95.08614	22.1
97.06519	36.1
100.48254	15.3
103.96397	14.1
105.07005	26.2
107.04905	20.0
107.08599	22.7
117.07024	19.2
159.08095	26.0
187.46471	15.7
272.83139	17.3
313.27325	100.0
322.57800	18.0
363.21393	16.6
380.88834	18.1
601.44092	25.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2764
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
55.05508	1.0
57.03434	0.6
57.07076	5.4
61.02547	0.4
61.02909	1.7
67.05506	1.4
69.07068	1.3
71.08630	4.2
73.02940	0.3
74.45744	0.3
75.04477	0.4
79.05505	0.5
81.07059	2.6
83.08611	1.6
85.02892	2.0
85.10178	2.8
91.03957	1.8
95.08599	3.5
97.02914	0.7
97.10153	0.7
98.22622	0.7
109.10171	1.3
116.33088	0.3
123.11736	0.5
127.03947	0.7
137.13249	0.5
145.04947	0.7
163.06058	1.4
164.92035	0.4
226.57141	0.3
239.11862	0.5
239.23677	3.6
257.24854	0.7
277.09671	0.3
282.12512	0.3
310.01627	0.3
313.27341	12.0
316.14935	0.3
328.14410	0.4
331.28452	2.5
348.24603	0.3
377.17621	0.8
379.19196	0.3
390.18549	0.6
391.19116	1.8
392.19928	1.0
393.20792	1.0
404.16180	0.8
405.16327	1.9
405.21078	1.2
406.17392	0.5
406.21820	0.9
407.22641	3.5
408.22833	0.8
417.16815	0.5
418.17838	1.1
419.18311	5.4
420.19049	1.8
421.20020	1.8
431.18393	0.5
432.19696	0.9
433.20462	8.9
434.21027	5.7
435.21951	5.8
436.22574	0.6
439.21463	0.4
447.17996	1.4
447.22372	1.1
448.19275	1.1
449.19839	1.2
450.20898	0.4
461.19885	1.0
462.20401	3.3
463.21402	3.0
465.18875	1.4
475.21399	1.4
477.19244	0.5
479.20779	0.5
480.21497	0.5
489.22955	0.7
490.19711	0.7
491.21005	1.2
493.22540	1.3
503.20728	0.6
505.22363	0.9
506.23264	0.6
507.20279	0.5
508.20828	0.6
509.21588	0.7
517.22491	0.4
520.24976	1.4
521.25720	7.0
522.25659	0.7
535.23248	0.5
548.24231	0.6
549.24994	11.9
550.25073	0.9
552.24249	0.5
561.25201	0.4
563.23010	0.4
565.24432	1.7
566.24432	0.4
577.24469	8.5
578.24658	0.8
579.22772	0.7
580.26733	1.3
581.27557	1.7
595.25525	5.4
596.25342	0.6
605.23950	0.6
608.26282	0.3
609.26868	2.6
621.79047	0.4
623.24658	0.6
637.26642	4.9
637.37445	0.4
655.27594	100.0
655.37402	3.5
656.27802	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	655.2758
Annotation	Esulatin I
Peak:m/z	Relative Intensity
50.61943	0.8
53.10478	0.8
57.07075	1.1
57.94934	0.9
69.32948	1.9
69.33352	4.2
69.72517	0.9
83.04959	4.9
98.23568	1.4
105.07035	1.1
165.26471	0.9
168.56644	1.0
173.08337	0.9
175.01582	2.1
179.34206	0.9
181.02612	3.7
192.42422	0.9
209.10782	1.6
211.12396	1.1
221.10713	1.6
223.12292	2.5
224.13092	1.4
225.13983	1.8
237.13858	2.9
238.14670	3.5
239.15515	1.3
246.11417	1.1
249.13887	2.2
251.11861	1.4
251.15421	4.4
253.17049	2.5
261.13867	5.4
262.14664	1.5
279.14874	2.6
280.15683	1.0
313.12057	2.7
340.18057	1.2
352.17712	1.5
353.17676	1.4
367.19339	2.8
377.17691	2.9
378.18558	1.6
379.19061	1.5
380.16428	1.1
381.21121	1.6
391.19498	2.3
392.20316	1.5
393.20935	1.1
394.18213	1.3
395.18808	2.5
405.16971	1.7
407.18622	1.9
409.20410	1.5
419.18787	1.9
420.19418	1.9
421.20148	1.9
422.20932	2.5
423.17963	1.3
435.17828	1.7
437.19592	2.1
447.18115	1.1
448.18790	2.1
449.19769	3.4
450.20782	1.5
453.22937	1.3
460.22617	1.4
463.21915	1.2
465.19296	3.6
466.23526	1.3
469.25955	2.0
477.19122	2.2
479.24725	2.8
481.22464	1.6
482.23282	3.1
483.19824	1.2
493.22470	2.1
497.25729	6.1
501.22910	1.6
507.24136	4.9
508.21909	1.9
509.21606	1.6
510.22568	2.2
514.25946	4.0
519.24536	1.3
524.24011	2.7
525.24756	7.7
529.28314	6.6
535.23334	2.4
536.23462	1.3
543.19244	1.5
547.23315	1.5
552.23517	1.4
553.24365	4.4
554.28326	2.9
557.27551	3.4
563.22748	2.9
565.27881	5.2
567.26044	3.4
569.27411	1.1
570.25122	1.3
579.26697	1.5
581.24231	3.8
585.27197	15.4
595.25476	87.5
596.25537	4.8
599.25537	7.2
613.26556	100.0
614.27179	5.4
623.24939	6.0
627.27594	1.8
655.28143	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2769
Annotation	Swietephragmin F
Peak:m/z	Relative Intensity
50.41101	1.2
52.37574	1.3
55.05496	5.8
57.07058	4.0
57.17566	1.2
63.30628	1.5
67.05489	2.5
71.44852	1.6
76.92723	1.2
81.07050	2.5
83.04538	1.5
83.04989	22.7
91.05479	1.9
93.07037	1.7
95.04974	1.9
95.08585	1.6
105.07009	2.3
119.08595	2.5
129.06989	3.2
147.08066	2.4
147.11668	3.7
175.01579	13.2
181.02600	17.8
211.12303	1.4
221.10587	3.0
224.13181	1.9
225.13835	1.8
227.04652	7.5
237.13896	2.0
239.15450	2.0
249.13904	1.9
251.15485	1.9
257.05710	1.7
262.14560	1.8
283.11127	3.0
298.12900	1.3
313.11987	9.9
313.15134	1.6
367.19302	1.6
369.18228	3.4
391.19141	2.2
403.19107	2.4
404.20068	2.0
405.21088	2.3
417.20569	2.0
418.21802	2.7
419.22415	2.1
420.19672	1.8
421.19955	3.2
431.18015	1.6
433.16049	3.1
433.23792	4.3
434.17218	2.6
435.17300	1.7
435.22382	1.7
448.19101	7.1
449.19559	4.7
461.19086	2.8
462.20547	2.7
463.21420	12.7
464.21701	1.7
471.17944	1.9
475.21536	2.3
477.19037	5.8
477.23813	2.5
479.24374	2.1
480.21606	4.0
491.20532	5.1
491.24911	1.8
492.24948	2.8
494.80478	1.6
499.21320	2.8
501.23001	10.1
503.20590	3.2
506.26651	1.8
518.22766	2.4
519.23669	2.0
523.26965	2.5
525.05902	1.6
529.22192	4.7
533.25067	5.2
535.23267	5.7
536.24152	3.5
537.24976	1.9
543.18854	4.0
550.25342	4.4
551.26172	5.1
553.24231	2.7
561.24304	2.1
563.22864	2.8
565.28107	38.5
566.28394	3.1
573.21411	2.0
579.25818	5.6
583.28973	4.7
585.27136	2.3
593.27502	5.8
594.24774	8.4
595.25446	8.0
599.25397	19.2
605.24493	7.8
609.27100	16.7
611.28241	2.3
612.25433	4.0
613.26569	8.1
623.24860	21.1
624.24731	2.1
627.27875	2.2
637.26971	8.3
654.43793	3.0
655.27484	100.0
655.42078	5.4
656.27789	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	655.276
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
55.05514	3.1
57.07084	4.5
69.11745	9.4
76.99620	1.5
77.14140	1.3
83.04986	13.6
87.86242	1.3
90.33579	1.3
93.07014	1.6
95.08587	1.7
100.77261	1.4
147.07948	1.8
147.11690	1.8
175.01643	8.0
181.02620	9.1
221.36830	1.5
225.14110	1.4
227.04715	3.5
274.62350	1.6
283.18323	1.4
309.35135	1.4
313.12012	4.7
369.18295	2.0
378.18466	3.1
389.17719	1.8
403.19177	1.9
404.20135	1.5
417.20615	2.1
421.20016	2.2
433.16702	1.5
433.23874	3.1
448.18539	2.3
449.20273	2.6
462.21658	1.8
463.21579	7.8
477.18805	6.8
479.24594	2.4
480.22046	1.6
491.24332	2.3
501.22678	3.8
519.24115	1.6
533.25543	4.6
535.23779	5.2
543.19135	6.3
547.23474	1.9
550.25903	2.6
551.26532	5.0
552.27167	2.0
565.19464	1.6
565.28168	28.4
566.28302	2.4
579.26056	8.8
580.23199	2.2
583.29321	5.7
594.24921	3.4
595.26605	1.7
599.25067	12.1
609.27368	3.2
611.28363	3.6
623.24878	12.3
655.27747	100.0
656.27899	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	655.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39692	1.3
60.89930	1.3
61.50646	1.3
62.61608	1.5
65.80343	1.3
69.59885	6.4
81.07061	2.7
84.86000	1.4
93.07038	1.8
95.08617	2.8
98.22769	2.9
105.07020	2.8
107.08575	1.6
119.08575	1.7
121.10097	1.7
145.10101	2.6
175.14937	1.7
237.13628	1.4
273.21964	1.5
301.21716	3.2
319.18784	1.7
390.18732	1.5
391.19199	1.7
401.17630	2.7
402.18475	2.8
403.19522	2.6
405.20938	3.2
412.05450	1.7
415.19415	2.3
417.21051	2.5
419.18304	2.5
429.16702	1.5
430.16992	2.1
431.18231	6.7
432.19153	1.9
433.20190	4.1
436.22708	1.8
443.18396	2.6
445.20181	13.5
446.20898	6.4
447.17554	3.1
448.22784	2.3
458.20871	4.3
459.22156	9.5
460.22778	25.8
461.18677	2.0
461.23599	4.2
471.17807	1.6
472.23163	2.0
473.23636	22.5
474.24707	8.1
475.25620	14.3
476.21793	5.0
477.23093	3.3
478.23874	2.4
485.23633	2.4
486.20248	3.1
487.21054	3.6
488.21954	5.2
489.23001	3.2
490.19437	3.8
491.24246	5.9
493.22369	2.1
499.21576	1.9
500.21979	2.6
501.22879	15.1
502.23718	2.5
503.24673	21.1
504.21771	4.3
505.21820	3.1
517.22760	10.0
518.19318	20.0
519.24536	11.3
520.23669	2.0
523.23694	1.5
527.20490	2.5
529.22101	8.4
535.23218	4.1
545.21747	2.1
547.23431	100.0
548.23816	9.9
563.22821	3.4
564.23901	1.9
573.21057	4.0
579.26068	12.0
591.22382	97.7
592.22742	9.3
595.25250	14.9
605.23932	12.7
623.24921	65.0
624.25311	3.9
655.27258	22.9
656.27576	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	655.2769
Annotation	Cryptophycin 1
Peak:m/z	Relative Intensity
53.21334	0.6
69.67619	0.5
70.04919	1.3
79.05479	0.6
81.07063	1.3
84.39014	0.6
88.35035	0.6
91.05444	0.7
93.07034	0.8
104.10789	0.9
169.32768	0.6
273.53275	0.6
275.33481	0.6
317.09833	0.6
377.17386	0.8
379.19220	2.1
391.19531	0.8
392.20743	0.7
393.16461	0.7
393.20999	3.2
405.17151	2.3
406.17847	1.2
407.18475	3.0
417.17053	1.0
419.18710	3.3
420.19537	2.1
421.20377	6.2
422.20987	0.9
432.20187	0.7
433.20609	1.3
435.17755	3.9
444.19479	1.1
445.20300	1.0
447.17755	1.1
448.19107	1.8
449.19858	4.5
450.20563	1.3
451.21603	0.9
461.19894	1.8
463.17157	3.8
473.19839	1.0
475.21542	1.2
477.18808	1.3
478.20148	2.2
481.22220	0.7
490.20062	0.8
491.21515	0.8
493.22095	1.1
507.24237	5.2
508.21616	1.7
509.21979	2.0
509.88956	0.6
521.22192	2.0
525.20984	0.7
534.22162	0.7
535.23419	3.6
549.25012	2.8
559.23303	0.8
567.26123	6.9
577.24554	4.9
595.25470	8.2
596.26288	1.5
609.24695	0.6
619.26154	0.7
623.25647	0.9
627.27972	1.7
655.27686	100.0
655.39264	7.2
656.27936	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01871	3.7
55.05512	6.0
55.35779	1.8
56.05032	3.2
58.99586	16.5
67.05493	12.4
69.07079	10.0
69.49943	4.9
73.01158	1.8
74.00670	20.2
75.01442	13.7
76.02228	20.2
76.04005	10.5
79.05494	36.5
81.07057	35.9
83.06080	9.5
83.08617	4.9
84.04507	30.9
85.04031	1.9
86.99063	8.9
87.02734	2.3
88.02230	6.7
91.05486	19.0
93.07046	28.4
95.04992	6.1
95.08598	25.7
97.01083	2.7
97.06552	5.2
99.05566	4.5
100.02208	5.8
100.04010	2.4
105.04519	3.6
105.07031	68.7
107.04966	2.5
107.08595	34.1
107.09264	3.3
109.06540	3.6
109.10153	19.8
110.06107	2.0
116.01678	40.2
116.02448	3.5
117.07072	2.8
119.08572	36.4
121.10159	24.7
123.08068	2.4
123.11735	6.0
125.05995	34.8
125.06907	2.3
129.06557	13.4
130.03270	9.4
130.04982	13.9
131.08568	24.7
133.06485	3.8
133.10123	24.5
135.11674	10.1
137.06007	5.6
142.03230	20.5
143.08542	11.4
144.01160	16.9
145.01906	2.5
145.06145	5.6
145.10133	29.8
147.08020	4.9
147.11685	17.9
149.13298	12.1
151.07605	5.4
153.06578	5.4
155.08466	4.5
157.10121	18.7
158.02736	4.9
159.11707	14.0
161.01436	2.8
161.09590	13.9
161.13283	14.0
162.02208	43.2
168.05389	6.8
169.10158	8.0
170.02777	4.4
171.07724	6.5
171.11679	13.6
173.13277	23.1
175.14751	12.0
176.15652	4.2
177.03294	4.9
177.16338	9.7
179.04900	4.9
181.06128	5.0
183.11708	6.9
185.13239	17.0
186.04831	2.6
186.06435	7.5
187.05507	6.7
187.14836	10.3
188.03770	2.9
189.16347	10.9
195.11855	2.4
197.13301	8.3
199.07127	22.0
199.14812	10.7
202.04100	8.8
203.14415	7.7
205.06473	2.5
209.13290	3.5
211.14874	2.4
213.16493	7.5
227.17963	2.5
232.05165	20.2
233.06030	2.9
239.17908	19.7
241.19547	10.9
243.08522	3.1
245.05989	5.6
253.19630	4.1
255.21060	13.6
256.09357	2.3
269.19095	4.4
289.07233	3.7
302.21173	10.0
307.08353	4.8
313.19901	2.3
315.39575	2.2
327.17953	2.1
330.54047	2.3
360.20132	3.7
377.22501	20.2
388.19406	8.0
405.22113	33.6
423.23062	22.7
433.21555	100.0
434.22018	9.9
449.89597	2.2
463.22620	8.4
480.25302	47.2
481.25934	3.0
490.23868	4.2
508.24799	58.0
509.24686	4.2
526.26025	21.0
534.26324	29.3
540.08752	2.3
546.26202	2.5
562.25812	63.6
563.26099	6.6
580.26855	21.2
591.28955	2.6
592.27234	2.5
609.29150	2.3
619.28467	2.6
637.29053	60.8
638.29431	4.8
655.30121	80.9
656.30518	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	655.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.5
59.28416	0.4
71.46867	0.4
73.84572	0.4
79.05476	0.6
81.07074	0.7
91.05521	0.5
95.08617	0.4
103.20135	0.4
105.07015	0.8
107.08638	0.5
119.08619	0.5
133.10144	0.5
145.10156	0.7
193.34196	0.4
198.97543	0.5
220.51164	0.4
228.51370	0.4
237.13882	0.5
238.77580	0.4
287.36029	0.4
301.21701	0.5
319.23068	0.4
391.19131	0.7
392.19540	0.7
393.20853	0.7
405.16974	1.8
405.21417	0.8
406.21701	0.8
407.22501	4.3
408.22855	0.9
418.17828	0.5
419.18240	2.7
420.19342	1.5
421.20297	1.7
433.20572	4.7
434.21118	5.8
435.21921	8.5
436.22342	0.9
447.17825	1.6
447.22214	1.9
448.18668	1.3
449.19812	1.6
460.22888	0.6
461.19507	1.6
461.24484	0.7
462.20544	5.2
463.21109	4.3
475.20963	2.2
476.22113	1.7
477.22849	1.4
489.23004	1.2
493.22516	1.8
494.23172	0.8
495.24057	1.3
507.20120	0.6
507.24438	0.6
508.24890	2.4
509.25644	2.4
520.24377	0.7
521.25720	12.0
522.26129	1.1
535.25092	0.5
549.25006	20.1
550.24884	1.2
553.24884	1.3
563.26581	4.7
564.27661	0.7
577.24146	1.1
581.27795	3.1
595.29333	11.9
596.29596	1.5
607.29309	0.6
609.27039	14.7
610.27386	1.3
623.28870	1.3
624.28955	0.7
655.31201	100.0
656.31470	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	656.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29472	1.4
70.90056	1.3
120.12505	1.3
129.23482	1.3
138.13712	1.2
152.07939	1.4
246.45778	1.3
269.63678	1.4
287.97925	1.3
400.88290	1.5
409.11530	1.5
423.13184	2.6
426.55823	1.4
438.15790	4.5
451.12900	3.8
466.15039	6.9
467.15891	2.1
494.14462	9.4
509.17050	28.1
510.17456	10.8
537.16223	1.4
554.16589	7.4
596.21771	4.6
656.23462	100.0
657.23822	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	656.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07063	76.4
66.06703	54.6
67.05470	100.0
67.73174	53.2
69.07065	55.8
71.47436	64.2
79.05479	63.2
81.07043	98.9
95.20951	51.9
97.06525	69.2
105.06996	73.4
114.56884	55.4
117.76321	53.6
130.13411	52.8
161.03346	51.7
258.42001	60.1
273.18423	72.1
342.55191	59.8
507.40085	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2917
Annotation	Taxiflorine
Peak:m/z	Relative Intensity
55.24359	1.5
66.06890	1.8
67.05507	2.5
79.05507	1.8
81.07049	2.5
84.51758	1.9
95.08640	3.1
96.34270	1.8
105.45932	1.8
146.59213	2.0
151.66226	1.6
212.13129	2.2
261.12613	1.9
276.70483	1.8
277.69604	1.9
278.74045	2.0
296.52557	1.8
314.16541	3.9
337.15518	4.0
340.18268	2.0
377.17902	2.1
379.19434	2.3
395.15530	2.5
397.17371	1.9
400.20163	2.8
409.20316	6.9
416.23618	2.4
423.21799	3.9
424.22388	2.8
443.21948	14.1
467.20923	5.6
478.21121	2.0
480.46057	2.0
481.23032	2.6
482.22723	3.6
494.23846	3.4
495.24106	2.7
503.24112	12.9
509.25644	2.0
511.20377	2.1
511.26706	11.6
521.25574	1.9
523.23688	3.0
537.24390	3.3
553.28235	16.4
554.25580	3.0
569.27637	14.2
570.28094	2.0
597.27045	25.4
598.27594	5.9
615.28015	3.7
625.27057	3.3
639.27924	3.4
657.29181	100.0
657.39319	3.3
658.29407	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	657.292
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25723	0.6
64.23705	0.5
80.12753	0.5
93.37721	0.5
95.08607	0.5
106.64429	0.5
118.06550	0.8
126.80646	0.5
131.07301	0.6
131.55443	0.5
132.08136	0.5
135.56993	0.5
144.08138	0.6
146.09694	0.5
159.09183	0.5
164.10852	0.5
174.09143	0.6
197.10881	0.6
207.09149	0.6
209.10785	1.0
222.11626	0.8
235.12340	1.3
237.13835	1.3
238.14816	1.0
246.11526	0.7
247.12445	0.8
248.13193	1.0
249.14044	1.5
251.15424	0.6
259.12411	0.9
261.13913	2.1
262.13605	0.6
263.15228	0.5
269.12906	0.6
272.12540	0.7
273.13812	1.7
274.13492	0.9
275.15176	0.6
277.13321	0.6
282.76794	0.5
284.13202	0.6
287.15540	1.0
288.15518	1.0
289.16522	0.6
290.13281	0.8
297.12527	0.8
300.15091	0.7
302.13190	0.6
302.16519	0.7
304.14532	0.7
311.14273	0.8
314.16449	1.0
316.14752	0.9
317.15149	0.8
318.16028	1.0
324.15170	1.0
325.15579	0.6
332.13953	0.6
338.16388	1.0
339.13666	0.6
340.14343	1.0
340.18146	1.2
348.14819	0.5
349.15466	0.6
350.16373	1.2
351.16534	1.0
352.17972	1.1
353.18350	0.8
354.15942	0.7
354.19888	0.7
362.16183	1.2
363.16345	1.8
364.17310	1.7
365.17990	2.1
366.19382	1.9
367.19971	0.9
368.17691	0.8
374.16476	0.7
375.16470	1.1
376.17737	1.6
377.17786	2.2
378.19031	1.6
379.15204	0.8
379.19382	4.0
380.20486	1.2
381.20816	1.1
389.17670	1.6
391.19629	4.3
392.20255	2.0
393.16458	3.3
393.20938	2.6
394.17914	1.1
394.22424	0.6
395.18668	1.6
398.18771	0.7
404.20673	0.8
405.21439	2.6
406.17285	0.6
406.21710	1.7
407.18622	2.3
407.22400	2.5
408.19272	3.7
409.20181	4.9
410.18024	0.7
417.16956	0.9
418.18292	0.7
419.18799	2.1
420.19464	1.1
421.19696	4.6
421.24557	1.6
422.21091	6.0
423.21906	12.8
424.22208	1.7
431.18686	0.8
432.19370	0.9
433.20380	1.7
434.21674	1.1
435.22061	7.9
436.22684	3.5
437.24036	2.8
438.21475	0.7
440.23157	0.9
442.21442	0.8
446.13284	0.6
446.21130	2.2
447.22156	1.2
449.18820	1.0
449.23407	2.2
450.19760	0.8
450.24820	0.6
451.21048	3.4
452.22430	0.9
453.23260	1.2
454.20358	1.2
456.23007	1.1
461.23630	4.3
462.20862	1.7
463.21301	2.2
464.22040	1.9
465.23035	2.8
466.22040	1.6
467.24567	2.2
468.25339	2.6
469.26309	0.8
476.22491	0.7
477.23099	4.2
478.23236	2.1
479.25330	3.7
480.22290	1.6
481.22672	1.9
491.21252	0.9
493.21677	5.5
494.27112	3.3
495.23392	9.2
496.24567	4.1
504.24115	0.6
506.22928	0.6
507.24231	1.2
508.24771	9.5
509.25723	8.0
510.26321	6.9
511.27283	9.9
516.24915	1.3
519.24036	1.0
521.25574	4.4
522.26422	2.8
523.23291	2.8
524.23792	0.9
525.28522	1.0
526.29285	2.1
537.25031	12.5
538.25903	6.7
539.26501	1.3
549.24896	1.9
551.22736	1.5
553.28595	6.1
554.27112	1.0
555.25897	2.2
565.24683	2.9
566.25159	1.6
570.28522	3.9
581.27563	18.0
582.27386	2.4
583.25372	5.0
593.24902	0.9
595.29285	0.7
596.27850	0.9
597.27069	39.3
598.27625	8.0
607.25244	1.1
613.30182	70.8
614.30530	6.1
625.26532	100.0
626.26910	8.3
657.29309	7.5
657.40247	1.1
658.28040	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04407	0.6
63.02360	1.0
69.34847	2.5
70.06585	0.8
75.74292	0.6
77.03949	0.6
79.05475	3.0
84.11321	0.6
89.03912	10.6
91.05482	1.6
94.64969	0.6
95.04963	0.8
103.05440	1.1
105.04505	0.9
107.04951	3.4
117.03371	10.8
118.06558	1.2
123.03532	1.1
123.04432	20.9
127.57714	0.6
131.04950	3.2
135.04408	22.3
136.06189	0.8
137.02325	2.0
137.05952	2.5
138.03111	2.3
138.05493	1.0
143.04892	1.0
145.02840	13.8
145.03938	1.2
145.05176	0.8
146.05984	4.8
147.04399	4.9
149.05963	5.4
150.05466	0.8
153.04230	0.9
153.05469	18.0
160.05228	1.1
161.05927	1.7
162.05499	4.2
163.03903	71.0
163.06247	5.0
164.04268	1.1
164.07072	21.0
165.07079	1.3
166.08687	1.1
167.07057	1.5
174.05449	0.6
175.03922	2.4
176.07074	2.6
177.05515	1.5
177.07040	4.0
178.05026	1.9
181.06564	0.8
183.08025	0.8
191.05768	1.9
192.06577	5.8
193.06459	0.8
194.08112	1.0
195.08070	3.5
204.08075	1.5
205.06488	17.4
206.06918	0.8
211.07539	1.6
221.06032	2.0
222.09192	0.8
223.07542	19.7
224.07869	0.8
227.07217	0.7
232.07599	1.0
233.05978	12.3
233.08224	1.3
234.06606	1.2
237.05583	0.9
239.06993	2.3
249.07864	0.8
250.06360	1.0
250.08636	6.7
251.07027	33.6
252.07506	1.7
257.08133	2.2
261.05588	2.9
267.06564	3.5
269.08093	14.6
272.12958	0.7
278.08154	6.5
279.06509	58.7
280.06808	1.9
282.05292	0.8
285.07578	10.2
286.07623	1.4
286.10706	14.2
295.04462	3.2
295.16464	0.6
296.09164	15.9
297.07544	33.8
298.07898	0.9
314.10208	100.0
315.10611	3.2
332.11084	1.1
344.09641	3.4
346.12802	1.2
464.11862	40.2
465.11826	1.9
496.14536	4.2
506.12759	1.4
626.14990	15.7
627.14990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35600	0.5
63.02376	0.7
69.09981	1.0
69.10381	3.7
70.06573	0.7
79.05478	2.4
84.03477	0.6
89.03908	9.1
91.05466	1.3
95.04957	0.9
96.33112	0.5
103.05438	1.1
107.04942	3.6
115.05437	0.8
117.03370	10.5
118.06522	1.5
119.04955	1.0
123.03504	0.9
123.04425	18.7
131.04906	2.3
135.04407	18.4
137.02347	2.9
137.05965	2.6
138.03099	2.1
138.05438	1.0
143.04933	1.2
145.02841	11.6
146.06010	4.0
147.04381	4.7
148.07603	0.5
149.05927	4.4
150.05507	0.8
153.05457	19.7
160.05125	0.9
161.05974	1.6
162.05473	3.8
163.03897	64.2
163.06216	3.6
164.04213	1.2
164.07060	19.4
165.07036	1.2
167.07031	0.8
167.08488	1.0
174.05539	0.7
175.03920	2.2
176.04736	0.7
176.07048	1.9
177.05466	1.0
177.06798	3.5
178.04968	1.6
181.06500	1.4
191.05782	1.5
192.06541	6.2
195.08119	2.8
204.08185	1.2
205.06474	17.2
211.07576	1.1
220.43472	0.5
221.05943	1.9
223.07539	18.2
224.08002	0.8
232.07646	1.4
233.05940	11.4
234.06667	0.7
237.05556	0.8
239.07056	2.3
249.05490	1.1
250.06253	0.6
250.08591	7.9
251.07014	33.6
252.07509	1.1
257.08212	1.1
261.05383	3.2
267.06421	3.0
268.07037	0.7
268.09741	0.6
269.08066	13.3
278.08115	6.7
279.06491	58.6
280.06909	2.3
282.05191	1.0
285.07535	9.4
286.07611	0.9
286.10730	15.3
287.10950	0.7
295.04504	3.1
296.09155	15.0
297.07532	38.2
298.07965	1.0
314.10202	100.0
315.10635	3.8
321.07803	0.6
332.11356	1.6
344.09689	2.3
346.12723	1.1
392.51642	0.5
407.24542	0.6
446.10675	0.9
464.11853	40.5
465.12100	2.0
496.14569	3.7
528.42896	0.6
626.15070	17.0
627.15430	1.8
658.17377	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	658.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.4
55.01872	0.9
55.54169	0.4
57.03429	1.5
61.02915	1.5
67.05497	0.5
69.03432	4.7
70.33179	0.7
73.02918	7.7
79.05492	2.9
81.03426	0.8
81.07066	1.9
85.02908	9.3
87.04453	0.6
91.05478	2.5
93.07047	9.5
95.04971	0.8
95.08621	1.6
97.02895	9.0
97.03486	0.6
99.04482	0.6
102.99301	0.3
104.80515	0.3
105.07028	2.8
107.04950	0.5
107.08588	2.4
109.02880	1.0
109.06516	1.0
109.10115	1.0
115.03929	3.1
117.07029	0.5
119.04939	1.0
119.08585	6.3
121.06501	0.6
121.10134	2.2
123.04460	1.7
125.06007	0.4
127.03906	3.2
131.08585	1.5
133.04953	3.2
133.10135	1.0
135.08080	1.1
135.11732	0.7
137.05971	3.5
137.09618	1.4
139.07576	0.4
143.08557	1.5
145.04933	3.7
145.10153	1.8
147.08041	2.4
147.11694	1.3
149.05978	3.8
149.09621	0.4
155.08540	0.7
156.09299	0.4
157.10127	2.0
159.08078	0.5
159.11691	2.1
161.06055	0.5
161.09592	0.5
163.03909	0.5
163.06052	1.3
163.07559	5.9
163.11253	0.4
164.08334	15.4
165.09125	4.6
167.08557	0.3
169.10120	1.2
171.11673	1.2
173.09621	0.8
175.07651	1.1
175.11145	0.6
177.09128	0.5
181.04892	0.4
181.10165	1.6
183.11678	1.6
185.09583	0.7
185.13298	1.4
187.07565	0.8
187.11189	0.5
189.09175	1.0
191.10655	0.5
194.10918	0.5
195.11731	1.4
197.13257	1.3
199.11131	0.6
199.14795	0.9
201.09082	0.5
203.10663	0.5
209.13205	3.0
211.14880	1.1
213.12689	0.4
215.10794	0.4
222.14056	0.4
222.87500	0.3
223.05962	1.0
223.11249	0.4
227.10703	0.6
227.14398	2.0
227.17932	3.3
237.12752	0.9
237.16403	3.1
239.17978	2.2
241.07115	1.0
243.13768	0.5
255.13834	4.8
255.17458	6.5
256.68967	0.4
259.08127	1.0
265.15897	1.3
267.17447	0.4
273.14951	0.4
283.16928	16.1
284.17252	0.9
285.18356	0.8
293.15240	0.5
295.10330	0.6
301.18005	1.1
311.16357	2.9
319.12152	0.4
329.17462	100.0
330.17746	3.5
347.18533	23.4
348.18707	0.8
370.20135	1.1
443.20615	0.8
604.34167	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77977	0.4
55.05506	1.0
56.05031	0.4
56.48019	0.3
57.06818	0.6
57.07076	6.4
58.06586	1.8
61.02925	0.8
65.03944	0.8
67.05508	0.6
69.03428	0.7
69.07082	0.4
69.41232	1.8
70.06593	16.1
70.96110	0.3
71.06915	0.3
71.08333	0.3
71.08636	2.5
72.08145	0.7
73.02920	0.6
74.06078	0.5
79.05492	1.2
81.03425	0.6
81.07037	0.8
83.08627	0.5
84.08114	0.6
85.02917	0.8
85.10175	1.1
88.07632	20.6
91.03946	0.7
91.05475	0.9
93.07040	1.2
93.29055	0.4
95.04983	0.6
95.08598	0.8
97.02901	0.9
97.10221	0.4
102.08512	0.8
102.09180	14.7
105.07046	0.7
107.08622	0.5
109.10172	0.6
114.43810	0.4
119.08622	0.5
119.87710	0.4
121.02859	0.5
121.10208	0.4
131.04991	0.8
131.08595	0.6
145.10110	0.5
147.04425	0.5
149.02339	31.0
150.02687	0.7
153.07040	0.6
163.11266	0.5
175.03928	1.2
177.05458	0.7
184.07323	0.4
193.04967	38.1
194.05330	0.8
195.05537	0.3
203.20230	0.4
212.23834	0.7
219.06558	1.2
219.08606	0.5
225.05478	0.9
237.07555	10.2
256.26349	41.1
257.26663	1.1
261.22314	0.5
269.04572	1.4
275.20200	0.6
297.04016	1.8
300.29028	1.1
310.61304	0.4
313.07043	2.5
335.25854	0.6
341.06558	8.7
341.10471	0.6
342.07059	0.4
359.07602	6.3
385.09189	19.3
386.09467	1.1
429.11819	24.4
430.12256	1.5
640.34222	1.0
653.37805	0.4
658.35779	100.0
659.36169	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	658.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.5
55.65875	1.0
56.05047	2.4
56.92248	0.9
57.03429	2.0
57.07077	11.0
57.53208	0.9
58.35426	0.9
67.05503	19.2
69.07079	5.0
69.36938	3.8
69.37352	1.5
71.04984	1.5
71.07372	11.0
71.08634	8.9
79.05495	5.2
80.05814	1.2
81.07058	11.0
83.04985	1.2
83.08630	4.5
85.10184	5.5
86.09706	53.1
89.06047	2.9
91.05499	4.7
93.07043	4.9
95.04974	2.5
95.08607	43.7
96.08937	1.1
97.06528	1.3
97.10191	1.5
105.07035	2.2
107.08597	3.3
109.10176	4.5
117.07014	1.3
119.08563	2.8
121.10188	1.4
123.08093	1.3
125.00002	1.4
125.09617	1.6
131.03531	1.0
133.08640	2.5
133.10147	2.0
145.10164	1.2
145.57426	0.9
146.98178	35.3
157.68468	1.2
159.10107	1.2
163.01678	1.6
343.09534	1.4
368.19962	1.1
453.35858	2.0
475.33966	45.2
476.34235	4.5
517.38812	4.1
599.33197	100.0
600.33661	7.6
658.40503	49.2
659.40594	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	658.511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	12.0
56.92255	1.9
57.03426	4.1
57.07076	61.8
59.04995	1.5
67.05508	17.2
69.03425	2.1
69.07077	14.9
69.48537	3.9
69.48934	3.0
71.08630	51.2
73.06551	8.7
79.05479	10.7
79.38769	1.5
81.03411	6.9
81.07059	16.0
83.04977	4.3
83.08640	9.3
85.10178	32.2
87.04479	13.3
87.13526	1.7
87.80598	1.7
89.06030	100.0
91.05473	9.0
93.07058	10.1
94.26952	1.7
95.04967	6.8
95.08616	9.4
97.06520	2.5
97.10153	11.3
98.23350	3.7
99.08092	3.1
99.11733	7.2
105.07036	5.8
107.04926	3.1
107.08588	7.0
109.06509	4.2
109.10136	6.5
111.11713	4.6
113.13288	5.9
117.06985	3.1
117.09144	8.4
119.08586	6.1
121.06473	2.7
121.10113	3.5
125.09613	6.7
125.13194	2.2
130.93402	2.1
131.07053	2.7
131.08580	3.3
133.08600	69.2
133.10150	4.2
135.11707	3.6
137.09608	2.7
139.37701	2.0
145.10165	2.6
147.08055	2.1
147.11714	3.9
151.11179	2.1
159.11659	1.9
161.11766	3.0
173.11732	3.3
175.11140	1.7
177.11237	30.4
177.12761	3.5
185.13330	1.6
189.11162	6.9
211.13385	2.9
221.13799	8.0
265.16388	2.8
271.26334	3.4
275.20071	2.2
277.21649	7.5
283.17490	2.7
293.21051	2.4
315.29028	4.3
459.27997	9.8
509.98682	2.0
534.51630	2.3
623.42035	2.1
641.48907	12.4
658.40527	9.3
658.50623	7.7
659.40582	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	659.235
Annotation	Xyloccensin T
Peak:m/z	Relative Intensity
54.22940	0.5
67.05482	0.7
71.46646	0.5
81.07040	0.8
91.05521	0.6
94.65578	0.6
103.33656	0.7
107.08612	0.7
107.74493	0.5
112.37878	0.5
277.79858	0.6
385.13159	1.0
386.13754	0.7
396.13657	0.7
398.14093	0.7
399.14667	1.9
400.15384	4.3
401.15829	1.0
407.11594	0.9
408.12500	0.9
410.14383	0.8
411.15552	0.6
412.15521	0.9
413.15817	1.7
414.16818	2.0
421.13040	2.5
422.13855	6.2
423.14734	4.1
424.15692	1.9
425.16589	1.0
427.17380	1.9
428.17438	1.2
429.18964	1.8
435.14240	3.4
436.15393	5.8
437.16269	10.6
438.17175	3.3
439.17627	0.8
441.15820	1.5
443.17258	0.9
449.16397	1.1
450.17703	3.5
451.18118	6.4
452.18979	3.1
453.15564	1.1
455.17386	2.0
456.17636	1.5
457.17993	0.8
463.13696	1.1
464.14508	3.7
465.15686	3.8
465.20438	1.5
466.16507	2.2
467.17499	2.6
469.15195	1.9
477.15430	1.3
478.16510	2.7
479.17276	4.7
480.18060	5.2
481.14600	1.1
481.18854	1.0
482.15564	1.0
483.16705	2.5
484.16934	2.9
493.18988	8.8
494.16437	2.2
494.18964	2.4
494.63937	0.6
495.16132	4.3
496.17261	2.2
498.15384	2.0
506.16165	1.5
507.16565	1.8
508.17511	6.7
509.18536	5.0
510.19586	1.0
511.20471	1.2
512.16479	5.1
513.16748	0.7
516.23364	0.9
520.17432	0.7
521.18323	11.1
522.15692	3.3
523.18701	0.7
524.16724	1.1
525.21851	0.7
526.14795	1.0
537.17877	0.8
538.18085	0.9
539.19397	2.3
540.19293	2.5
543.22394	1.6
549.18311	1.0
553.20831	11.5
554.21210	1.0
571.22070	2.1
572.22101	3.6
581.20337	45.1
582.20496	4.8
598.19934	0.8
599.21149	16.4
600.22015	4.3
609.20355	0.9
613.22839	10.2
614.23376	1.0
615.28259	2.8
622.22900	3.4
627.20880	0.7
631.23822	2.1
641.22437	100.0
642.22845	11.7
659.23596	22.3
659.40179	1.0
660.23895	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	659.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60804	0.4
70.62932	0.7
94.44485	0.5
117.76023	0.4
150.80493	0.4
152.70410	0.5
158.67027	0.4
199.83473	0.4
276.58160	0.5
438.18365	0.5
465.15607	1.0
467.17365	1.5
481.18750	1.5
482.19897	0.8
483.16629	1.0
490.15906	0.6
492.13452	0.5
493.14932	1.3
494.15686	1.4
495.16525	4.3
496.17404	1.5
497.18152	3.2
498.18951	1.8
505.18988	0.7
507.16644	1.8
508.17615	2.1
509.18237	12.6
509.25592	0.9
510.19098	5.0
511.16693	1.7
521.18195	0.8
522.18915	1.6
523.19873	12.7
524.20612	10.8
525.20282	1.8
526.18640	2.8
527.19208	2.0
536.16913	0.8
537.20874	6.5
538.22028	1.0
541.21008	2.5
550.18549	0.6
551.19574	1.2
553.16309	0.5
555.18774	0.9
556.19720	1.8
565.20844	0.8
568.19836	2.2
569.20386	23.9
570.20276	2.7
582.21094	3.3
583.21704	1.2
587.21326	10.3
588.22028	0.7
600.22229	1.2
610.22791	1.0
627.20911	2.5
628.21576	12.0
629.21478	1.4
641.22705	2.5
646.22498	1.3
659.23480	100.0
660.23694	9.8
677.24396	7.3
678.24835	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	3.5
56.23606	0.8
57.03436	1.2
57.07066	1.3
58.14916	0.8
58.87911	0.8
65.03926	1.4
67.05504	25.1
68.05829	1.0
69.03426	3.6
69.07066	3.4
71.45703	1.0
79.05503	6.0
81.07056	11.8
83.04964	2.5
83.08617	5.2
85.06535	1.8
85.10183	2.6
86.80247	0.8
89.06042	3.0
91.05482	11.6
93.07037	8.4
95.04982	5.4
95.08607	6.8
97.06528	2.1
100.38113	0.8
103.05488	0.9
105.04525	1.3
105.07033	11.9
107.04963	0.9
107.08587	9.1
108.63972	0.9
109.06524	1.9
109.10162	100.0
110.10486	1.5
111.08096	1.0
113.06052	1.2
115.05473	1.5
117.07024	4.1
119.08587	16.2
121.06509	3.0
121.10145	7.6
123.08073	1.7
125.06013	0.9
125.09657	2.2
127.11195	2.6
128.06248	3.1
129.06999	5.0
131.08578	7.7
133.06491	2.0
133.08607	3.0
133.10112	8.5
135.08072	10.4
135.11685	2.3
137.09654	4.0
140.86343	1.0
141.05428	1.2
141.06990	2.6
142.07826	5.7
143.08530	7.9
144.09308	1.9
145.06499	1.3
145.10146	9.6
146.07274	1.3
147.08043	10.6
147.11699	0.8
149.09633	9.2
151.11140	1.5
153.06990	1.1
155.08566	3.4
155.10588	1.9
156.09361	4.1
157.10132	9.8
159.08051	6.8
159.11670	5.9
161.09633	7.9
165.07007	1.8
166.07787	1.3
167.08566	2.1
169.10118	4.6
170.10873	2.4
171.11662	5.8
172.08755	1.4
173.09628	4.4
173.13268	3.6
177.11176	1.0
179.08554	1.8
180.09390	1.1
181.10106	3.6
182.10896	1.8
183.08092	1.8
183.11688	3.8
184.12476	0.9
185.09650	1.8
185.13255	3.6
187.11256	1.3
187.14764	1.7
193.10129	2.6
194.10890	2.2
195.11690	5.1
196.12537	1.2
197.13307	2.9
198.10413	1.7
198.14023	0.9
199.11130	1.0
199.14882	4.6
201.12793	1.0
203.14389	1.0
205.10118	1.4
206.10999	1.1
207.11711	3.2
208.12361	1.3
209.13203	4.3
211.11195	1.3
211.14853	2.5
213.12776	5.2
215.14317	3.0
219.11665	1.8
221.13293	3.9
221.15236	1.2
223.14859	2.4
225.12703	2.7
225.16368	1.3
231.11729	1.3
233.13242	2.2
235.14828	1.7
237.16444	1.8
245.13106	0.8
249.16455	1.8
251.18045	2.0
259.14865	1.2
263.14282	1.5
263.17911	1.8
265.19464	0.9
271.14764	1.1
275.17990	1.2
277.19559	1.3
291.20862	1.0
312.19327	0.8
312.82996	0.8
329.22476	1.3
329.93176	0.9
335.25735	0.9
355.24039	2.2
383.27145	1.1
411.26828	2.6
429.27881	0.9
476.21655	0.9
487.61319	0.9
519.40295	2.5
523.78345	1.1
581.39734	1.8
659.42365	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	660.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.3
55.01876	0.9
55.05507	12.3
57.03438	10.4
57.07074	4.2
59.04990	2.9
61.02917	3.0
67.05505	73.6
67.16003	1.0
69.03435	1.2
69.07067	10.0
71.04991	2.3
71.08639	2.2
71.46708	1.5
73.02914	1.7
79.05481	9.4
81.07054	36.6
83.04977	2.2
83.08611	9.6
85.02896	3.9
85.06540	3.9
85.10190	1.7
86.09709	2.2
89.06026	4.1
90.06379	1.1
90.86176	0.9
91.03954	1.5
91.05481	10.4
93.07040	10.6
95.04962	2.6
95.08604	19.5
97.02884	2.4
97.06522	2.3
97.10174	2.2
99.08075	3.3
105.07023	5.9
107.08578	5.4
109.10157	58.8
110.10561	1.0
111.08083	2.8
113.09648	1.8
119.08585	8.8
121.10142	4.5
123.11701	2.9
124.99953	1.1
125.09698	1.1
127.11111	1.1
131.08585	1.2
133.08658	1.3
133.10156	5.2
135.11703	3.5
137.09610	4.3
137.13321	1.3
145.10123	1.5
147.11679	3.4
149.13257	1.6
151.11246	1.0
155.10681	5.0
173.11740	17.5
173.13087	1.9
184.07343	5.9
217.19545	4.1
229.14346	100.0
230.14658	2.0
235.20570	6.2
272.07651	1.3
309.24231	51.2
310.24704	1.5
426.83279	1.0
463.34177	36.3
464.34708	1.4
481.34961	1.5
501.39178	1.6
519.40240	2.8
532.06403	1.0
618.25452	3.0
622.18616	1.0
643.24274	1.3
660.41193	2.2
661.26587	15.4
661.37146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86475	6.7
51.69917	6.0
60.07637	5.5
69.51466	25.0
81.07073	9.4
143.97754	6.9
243.86473	7.9
353.40656	6.8
470.15222	8.7
558.23901	8.4
562.24841	7.6
574.25061	13.8
618.25439	14.3
619.25372	8.3
621.07880	7.0
629.24347	11.4
643.26294	11.0
660.39325	12.8
661.20490	100.0
661.39655	17.6
662.20984	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	661.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35947	0.8
64.26094	0.8
65.03936	5.9
67.05497	2.3
68.01617	0.8
69.03439	1.8
70.06625	0.8
71.46297	0.9
72.53526	0.8
74.51937	0.9
79.05495	4.1
81.03422	1.2
82.04203	2.2
85.02898	4.2
91.05492	2.6
93.03401	1.5
95.04978	2.9
97.06557	1.8
98.72162	0.8
98.97606	0.8
103.05473	1.1
105.04507	0.8
105.07040	0.9
107.04965	8.5
108.02083	1.6
110.03676	3.3
111.04472	3.2
115.05481	2.4
117.07047	1.6
119.08591	0.9
121.06544	2.7
123.04437	3.0
124.05246	1.2
125.01128	0.9
125.05994	2.9
129.06982	1.4
131.04950	1.6
132.05765	1.0
133.06528	1.7
135.04430	1.0
137.05972	1.2
138.03117	1.4
139.03749	0.8
142.02509	0.8
143.04897	1.0
144.05687	1.1
145.06479	3.9
147.04445	1.5
147.08034	0.9
148.05182	1.0
149.05960	2.4
151.07596	1.2
152.04721	1.4
153.05496	5.9
161.05954	5.0
163.03963	1.3
165.05492	1.1
167.07051	18.5
171.06561	5.3
172.05193	1.9
173.06023	3.8
175.07524	2.1
176.04721	1.0
177.05463	2.7
181.04961	100.0
182.05350	2.3
189.05461	1.5
190.06271	1.1
191.07008	2.7
193.08720	1.0
195.06570	2.4
200.04700	1.0
201.05431	1.8
205.08630	3.2
206.05739	1.1
207.06500	2.9
209.08104	3.1
217.08711	1.6
218.05762	3.2
219.06549	2.6
221.08044	4.1
229.04849	0.9
233.08072	11.4
235.07680	0.9
235.09695	4.6
237.02695	1.2
247.07602	1.1
249.07541	2.1
261.07504	4.4
279.08878	4.6
323.09039	1.2
341.10233	1.3
353.10083	1.8
358.19150	1.0
359.10547	1.0
373.12714	1.9
383.11130	1.4
385.12762	4.1
387.14261	1.8
401.12152	7.7
403.13895	3.3
415.13895	46.6
416.14633	7.7
417.15353	2.7
421.19067	3.2
433.14972	4.8
595.21594	1.6
601.25269	1.3
643.23773	3.1
661.28802	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25512	0.6
61.02883	1.1
69.03339	0.6
69.65364	1.3
71.54743	0.5
79.05435	0.8
80.33495	0.7
81.07019	0.8
85.02829	1.2
91.03892	0.8
91.05407	1.3
98.22727	1.0
109.25597	0.7
116.53721	0.6
119.08471	0.7
129.66452	0.6
132.23422	0.7
137.05859	2.1
155.23547	0.6
388.16428	0.6
401.16327	1.1
405.16693	0.8
414.13489	0.7
416.14362	1.1
416.19183	0.8
428.14795	1.0
429.15607	7.6
430.16397	3.8
431.17148	6.4
432.17932	1.5
441.15610	1.7
442.16855	1.3
443.18155	3.0
444.18069	10.6
445.18964	3.3
447.16785	0.7
453.15417	1.2
454.16229	3.1
455.17255	3.7
456.18628	3.1
457.14462	17.4
458.14963	1.7
458.20349	1.1
459.16440	1.2
467.17297	1.6
468.17606	1.8
469.19351	5.0
470.18698	1.1
471.15787	4.9
472.17459	25.1
473.17999	5.6
474.18411	0.6
481.14594	0.9
482.15387	1.4
483.16385	2.0
484.17651	0.8
485.18509	1.0
486.14954	0.9
496.17535	2.2
497.18384	9.1
498.18649	1.1
499.20050	0.9
500.16534	2.9
501.17703	1.5
513.18713	1.1
514.18579	0.9
515.19482	4.4
516.19983	1.4
517.20544	0.8
524.16907	1.8
527.19287	0.9
528.20129	1.3
529.20850	1.1
530.21918	1.8
531.22534	11.7
532.22565	1.2
541.20099	0.7
556.19678	6.0
557.19946	1.6
559.21918	62.3
560.22095	8.8
569.20337	1.8
577.22986	1.1
587.21277	6.2
588.21960	1.1
597.20068	1.5
618.24182	1.4
619.24005	86.7
620.24194	12.7
629.22467	15.6
630.22247	2.1
643.23676	1.0
661.25055	100.0
662.25250	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	661.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36261	0.4
61.02904	1.1
69.03388	0.5
69.59722	1.3
69.60097	1.0
73.02877	0.6
79.05489	0.5
81.07019	1.3
85.02860	0.9
91.03887	0.9
91.05453	1.2
93.06976	0.7
95.04940	0.6
97.02869	1.0
117.65976	0.5
119.08559	0.8
137.05943	2.0
149.65738	0.4
174.64207	0.4
175.99765	0.5
259.31046	0.5
310.81052	0.6
345.69846	0.7
399.87357	0.6
411.14758	2.1
412.15359	1.1
413.16235	2.6
413.73587	0.6
424.15646	0.7
425.16367	3.4
426.17194	3.1
427.17834	1.0
429.15729	1.4
430.17023	0.5
437.16232	0.6
438.13052	0.8
439.14038	2.1
440.14151	2.1
440.18576	4.7
441.15671	3.7
441.20117	1.4
442.16299	1.8
443.17657	1.3
444.18225	1.4
451.17929	0.6
452.15063	1.3
453.15701	6.7
454.16254	6.4
455.16898	3.5
456.18048	4.2
457.19427	2.6
458.20111	0.7
466.12018	0.6
467.12451	1.0
467.18198	4.5
468.18533	13.2
469.19446	10.3
470.19781	3.5
471.15256	1.0
471.20547	2.4
472.17520	1.0
479.13257	0.6
480.13464	1.0
481.15240	5.0
481.20245	0.8
482.14883	8.0
483.16046	6.0
484.21552	0.8
485.14981	0.7
486.19144	1.8
490.76578	0.7
493.15292	1.0
494.16061	0.6
495.17102	4.2
496.17459	13.1
497.18164	31.3
498.18558	6.2
499.15533	3.1
500.16974	0.9
509.13980	0.9
510.18924	2.1
511.20206	3.0
513.17523	4.2
514.18280	9.2
515.19299	4.4
516.19250	0.9
523.19012	1.5
524.16803	17.3
525.16248	2.2
526.18390	1.5
527.15240	0.7
528.20428	7.2
529.20856	4.0
530.21509	2.1
538.19690	1.0
540.17267	0.5
541.17700	2.1
551.18964	0.8
553.21112	3.2
554.18347	1.1
555.18671	4.1
556.19476	9.0
557.19928	2.5
569.20392	8.3
570.20587	2.9
585.23474	1.7
587.21460	3.0
597.19873	16.6
598.20044	2.7
601.23523	2.3
602.23102	0.9
611.21729	1.4
615.20020	0.7
629.22455	85.7
630.22675	11.6
643.24402	0.8
646.22113	0.7
647.23456	1.4
661.25061	100.0
662.25323	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	661.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11610	0.7
78.44420	0.8
82.24746	0.8
87.04477	0.7
158.78560	0.8
314.18393	0.8
325.20984	0.9
341.20923	3.0
343.22516	1.5
359.21936	4.1
643.42969	1.7
661.44397	100.0
662.44800	12.5
681.12592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35928	0.6
63.43336	0.8
69.33398	1.7
69.33796	2.6
71.13621	0.7
87.04473	1.7
107.08631	1.1
140.19075	0.8
148.60040	0.8
154.87917	0.7
154.97922	0.7
184.07376	2.1
293.05569	0.8
323.87360	0.9
325.21619	1.5
341.20853	6.7
343.22446	39.0
344.22952	2.1
401.12915	0.8
553.22412	2.9
574.55359	0.8
587.98834	0.8
629.24377	0.9
643.25635	1.7
661.44427	100.0
662.44775	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	661.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09610	0.6
100.65556	0.5
111.39816	0.5
117.50594	0.6
124.04132	0.5
148.85167	0.6
153.36253	0.5
245.41621	0.6
279.26248	0.6
325.21277	0.6
341.21024	2.2
343.22198	0.8
359.22183	1.0
425.28000	0.7
661.44385	100.0
662.44788	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	662.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.80185	0.8
63.02412	0.9
65.03934	3.5
67.05492	1.5
69.03431	0.8
75.04475	2.2
78.04716	1.4
79.05486	3.7
81.03409	0.9
81.07087	2.0
83.08619	1.2
85.02914	5.4
91.05476	8.6
93.03415	8.2
93.07026	5.2
95.04966	5.6
95.08618	2.2
97.06502	1.8
103.05458	10.0
105.03445	0.9
105.07053	5.1
106.04174	15.6
107.04958	4.0
107.08599	1.9
109.06502	1.3
109.10186	1.2
111.04450	1.0
115.05467	2.4
117.07030	1.7
118.04144	1.7
119.04993	1.1
119.08553	1.6
121.06507	21.3
123.04440	2.9
125.05978	7.8
127.39068	0.8
129.07037	0.9
131.04933	8.7
132.05666	0.9
133.02895	1.4
133.06520	4.6
134.03622	2.3
135.11746	1.1
137.05972	2.5
139.07495	1.1
142.02589	1.1
144.05669	1.1
145.02881	1.3
145.06458	2.0
147.04468	1.6
147.08057	2.1
148.05170	5.6
148.06261	0.8
149.05983	32.8
151.03934	1.8
151.07545	1.4
153.05498	3.2
153.09109	6.9
159.08128	1.6
161.05989	3.8
161.23074	0.8
163.03920	1.6
163.07555	12.1
165.05510	1.4
167.07045	31.0
168.07332	1.1
171.06531	2.4
173.05995	3.6
173.13223	1.1
175.07547	2.0
176.04716	1.6
177.05470	20.4
181.04962	33.5
181.08586	18.1
182.21779	1.0
187.07614	1.6
189.08917	0.9
191.07040	41.5
192.07597	2.0
193.08699	1.8
195.06548	2.9
203.07021	1.4
205.08658	2.1
209.08086	100.0
210.08452	2.8
219.10199	3.3
233.08119	2.5
235.07484	1.9
235.09669	2.9
249.87561	0.9
257.22687	1.6
259.85925	0.9
263.09210	7.8
267.10239	1.7
279.10217	1.3
295.09641	1.0
303.19553	6.8
303.22867	1.4
325.10648	1.8
357.13336	3.4
385.12891	4.5
411.27744	1.3
417.15378	8.1
493.01700	0.9
661.46283	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01867	1.1
55.05507	8.1
55.59476	0.5
56.86735	0.8
57.03440	1.6
57.07076	4.8
59.53209	0.5
61.02920	4.0
61.24620	0.6
65.03942	0.8
67.05498	7.9
69.03422	5.2
69.07069	30.3
71.04993	1.3
73.02913	1.5
79.05494	34.8
81.03413	3.5
81.07059	38.7
83.04971	1.1
83.08620	13.2
85.02908	31.7
91.03949	2.1
91.05476	13.3
93.03411	0.8
93.07048	14.4
95.04971	5.2
95.08607	25.1
96.58675	0.6
97.02895	8.6
97.06533	13.0
97.10178	5.0
98.22670	1.1
99.04461	2.0
105.03397	1.1
105.04534	1.4
105.07034	24.0
107.04958	9.9
107.08595	12.2
109.02895	3.2
109.06520	4.3
109.10152	14.5
111.04410	2.7
111.08084	0.7
111.11723	2.2
115.05454	0.8
117.07027	1.9
119.04949	1.0
119.08582	16.2
121.06525	1.4
121.10145	7.3
121.37946	0.5
123.04397	0.9
123.08074	1.0
123.11721	6.1
125.05991	86.0
125.09586	1.5
125.13261	3.7
126.06315	1.2
127.03922	7.9
129.06982	1.2
130.48872	0.6
131.08572	8.0
133.06506	4.3
133.10127	23.0
135.08061	1.3
135.11679	3.5
137.05975	9.6
137.13235	3.1
139.07538	1.6
143.08569	3.6
145.04958	20.0
145.10118	10.8
147.08051	5.5
147.11684	12.2
148.12019	0.7
149.05963	0.8
149.09599	1.3
149.13240	4.1
151.07521	4.5
151.11201	1.2
151.14842	2.6
155.08554	1.3
157.10126	2.2
159.08063	1.9
159.11694	7.6
161.09619	43.2
161.13254	7.1
162.10046	1.3
163.06017	11.7
163.07343	0.6
163.11160	0.7
163.14828	2.1
165.09123	1.3
165.16440	0.7
169.10168	1.4
171.11728	1.8
173.09610	1.9
173.13240	6.3
175.11188	28.6
175.14790	8.0
176.11501	0.6
177.09125	2.1
177.16377	2.4
179.10672	16.6
179.18039	0.9
180.08635	1.3
183.11725	0.9
185.13303	2.6
187.11244	1.7
187.14786	6.1
189.12775	3.6
189.16399	1.1
191.10658	3.8
193.12225	16.8
193.15956	0.8
197.13252	1.4
199.14867	1.4
201.12711	3.6
201.16406	5.8
203.14308	23.3
203.17592	0.9
205.12227	1.7
207.13800	2.3
211.14818	2.0
215.14291	3.2
215.17853	0.7
217.15921	1.1
219.13800	11.3
221.15369	39.4
222.15762	1.6
225.16383	0.7
229.15829	3.6
233.15385	4.1
247.16951	2.5
257.22659	16.8
258.22839	0.6
267.21106	7.4
269.10092	1.3
275.23953	0.6
283.12952	0.6
283.20453	0.6
285.22122	100.0
286.22437	4.1
289.08902	0.7
293.93097	0.6
303.23175	27.6
304.23495	1.7
323.14828	1.2
325.11197	5.6
365.19507	4.7
383.20441	0.6
429.26215	2.7
447.27466	17.7
448.27695	1.5
465.28448	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	662.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33729	0.4
55.05499	0.4
56.05016	0.7
57.03416	0.3
57.07063	0.9
58.06595	0.5
60.08167	6.7
67.05486	0.9
69.07014	0.4
71.07381	3.0
74.53787	0.3
79.05458	0.6
81.07055	1.6
86.09707	33.0
87.04462	2.7
87.10021	0.6
91.05453	0.5
93.07014	1.2
95.04885	0.5
95.08574	1.2
97.10111	0.4
98.23521	0.7
98.98461	2.7
102.08313	0.3
104.10733	3.3
105.07025	0.8
109.10144	0.4
119.08554	0.4
122.80356	0.3
125.00005	21.0
133.10120	0.4
138.04831	0.4
145.10144	0.5
158.12567	0.4
184.07343	100.0
185.07672	1.2
250.09398	0.4
255.97064	0.3
311.09189	0.4
443.18924	0.3
462.23080	0.3
662.44122	13.5
663.44269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	10.3
57.03441	9.5
67.05505	45.8
69.07076	10.0
71.02848	5.4
79.05490	41.6
81.07057	41.0
81.57037	3.8
83.04982	5.2
83.08639	9.1
87.04470	4.6
91.05466	26.3
93.07032	35.5
95.04989	5.2
95.08609	31.2
97.06522	6.5
97.10201	5.3
105.06997	19.1
107.08607	20.7
109.10173	11.5
111.08187	4.0
117.07005	11.3
118.60556	3.8
119.08595	21.7
121.10140	21.0
123.11776	5.0
131.08562	15.9
133.10144	16.3
135.11682	12.2
143.08556	7.5
145.10159	14.9
147.11719	9.6
149.13344	8.9
150.73605	3.8
159.11717	12.4
161.13203	4.5
166.07626	4.8
173.13260	9.5
175.14803	5.3
239.17979	7.4
245.43039	4.5
257.18954	7.6
261.22150	6.1
267.15958	4.2
269.17557	4.6
275.20129	26.9
275.99933	4.4
309.20584	6.9
335.25806	100.0
335.29593	8.0
349.23669	13.9
351.25656	5.3
515.37061	4.6
529.39038	34.5
548.06482	4.6
569.41907	33.8
570.42444	4.4
609.45056	12.4
627.45770	5.1
662.45441	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.4145
Annotation	Unnarmicin C
Peak:m/z	Relative Intensity
56.96513	8.4
56.96809	0.8
67.05472	1.0
71.95210	1.3
84.30201	0.6
84.95980	1.3
86.09655	1.0
93.06993	0.6
95.08545	0.9
97.96751	1.1
98.97538	1.1
107.08563	0.6
109.10110	1.1
110.97556	4.9
111.98287	1.7
112.99053	1.0
113.99865	0.8
116.98542	0.7
124.93729	0.6
124.99084	1.6
128.98619	5.9
129.99414	4.3
131.00148	0.8
141.02216	0.6
141.99323	1.3
143.00114	1.6
146.99565	2.5
148.00452	3.0
160.00383	1.6
161.01164	1.4
168.00871	0.6
171.03287	4.0
172.00446	1.2
173.04857	0.8
175.02757	0.7
181.05202	0.8
182.99629	1.2
183.03288	0.9
184.04010	2.4
184.07265	1.5
185.01144	1.2
185.04810	2.0
186.01918	1.6
189.04311	3.1
197.01212	7.7
197.04834	1.7
199.02779	0.8
199.05057	0.5
199.06403	5.1
201.00645	2.0
201.04269	1.2
202.05098	1.4
203.02252	1.3
203.05887	2.3
204.03026	1.6
204.06537	0.6
209.04897	1.3
211.06395	1.1
212.03519	0.8
213.07945	2.6
215.02295	9.7
215.05728	1.2
217.03902	0.6
217.07478	5.2
219.09024	0.8
221.04823	1.7
222.07936	0.8
225.04083	0.8
227.05919	4.3
227.09489	1.5
228.06560	0.9
229.03911	1.1
229.07483	9.2
231.09000	2.3
238.03850	0.8
239.05898	8.3
240.06696	6.7
241.07362	1.1
243.12759	0.6
244.06268	1.1
245.06923	3.7
245.10707	1.0
247.08501	5.3
252.08978	0.6
257.04251	1.2
257.06970	22.2
257.80124	0.6
258.07770	27.3
259.08319	1.7
275.08035	4.6
276.05991	0.9
276.08798	13.3
280.08612	1.7
281.09253	3.5
290.06769	0.6
291.16299	2.4
309.17352	3.8
315.16251	1.6
333.17337	22.3
334.17813	1.0
340.16422	0.7
351.18469	62.8
352.18793	2.7
357.20245	0.7
369.19498	90.6
370.19809	4.2
374.20032	4.1
377.88071	0.6
387.20563	6.9
392.21094	17.5
393.21237	1.0
409.22815	0.9
426.21643	0.7
645.40454	1.7
663.41516	100.0
664.41833	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	663.4462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
54.28483	1.6
55.05514	21.8
57.07069	9.0
67.05502	25.2
69.07069	80.3
70.06615	1.6
77.00911	19.9
77.03965	2.4
79.05499	18.2
81.07059	49.2
83.08620	25.1
91.05478	15.4
93.07053	16.6
95.01951	15.9
95.04969	4.0
95.08607	61.7
95.09220	3.4
97.10183	6.2
100.02511	2.0
103.05472	2.2
105.07038	53.8
107.04961	14.5
107.08598	24.9
109.06528	4.7
109.10162	27.9
111.11732	3.8
117.07053	3.7
119.08579	29.1
121.05029	7.7
121.06505	3.4
121.10138	12.6
123.11724	8.9
125.04531	3.1
125.05980	3.1
129.06995	1.8
130.07748	1.6
131.08578	15.0
133.06491	12.9
133.10126	25.9
134.35530	1.7
135.08078	6.5
135.11725	5.9
137.13281	3.8
139.06050	28.4
143.08583	2.5
145.06435	1.8
145.10133	18.9
147.08087	5.0
147.11673	20.8
149.13286	7.9
149.14485	1.5
151.14836	3.0
155.08595	2.7
157.07266	1.9
157.10179	4.0
159.08130	3.3
159.11682	12.0
161.09622	20.9
161.13261	9.5
165.04091	2.4
165.07594	2.9
168.90701	1.8
173.09660	2.2
173.13184	8.8
175.11186	9.7
175.14799	11.0
177.16345	2.5
183.05029	25.7
185.06599	4.2
187.11252	3.1
187.14865	9.9
189.12769	3.1
189.16357	3.8
197.06595	2.2
201.06070	40.2
201.12679	2.4
201.16444	6.8
203.07706	3.4
206.06580	3.1
209.06578	2.6
214.80264	1.9
215.07652	2.9
227.07689	4.9
229.09148	4.5
235.15477	3.4
237.09721	4.9
255.10751	16.0
257.22595	10.8
261.17010	4.6
281.21307	2.3
285.22192	9.9
289.09296	5.6
297.15775	3.2
299.22208	10.4
301.09540	2.8
307.10287	11.2
315.10934	5.0
317.12201	2.6
317.23285	7.3
325.12891	2.4
325.20291	5.8
329.11957	2.1
333.11801	2.0
343.14203	8.9
343.21378	25.9
344.22028	2.3
357.15640	3.1
361.15182	3.9
361.22250	16.1
366.22818	2.3
369.15381	3.5
379.18167	1.9
379.23315	14.4
383.17093	2.3
384.24158	2.2
393.19144	2.4
397.18848	5.2
405.26376	5.5
406.25900	1.8
415.19992	3.2
423.27167	3.4
449.25357	7.9
459.31650	3.2
461.25626	1.9
467.26834	10.0
475.27133	2.5
485.27542	7.8
493.28250	6.9
503.30179	6.7
511.28830	8.7
521.31317	12.4
539.32385	6.3
562.33246	1.9
583.43463	10.1
627.42517	48.3
628.42542	4.4
645.43634	73.4
646.44061	12.3
653.34888	2.0
663.44629	100.0
664.44855	13.8
668.45251	6.2
681.45776	26.1
682.46637	3.1
686.46368	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	664.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
53.94016	0.4
55.01870	1.4
55.05505	1.2
57.03428	1.2
57.07073	1.6
61.02934	0.9
62.25507	0.4
67.05505	4.4
67.59835	0.3
69.03433	4.2
69.07066	3.5
70.25039	0.4
70.25360	0.5
71.04984	1.0
71.08615	0.4
73.02909	1.1
79.05486	3.2
81.03420	5.3
81.07057	6.8
83.04983	0.5
83.08600	1.4
85.02905	11.7
85.06542	0.5
86.09708	0.4
87.00826	4.2
87.04460	0.4
91.05487	5.8
91.32699	0.4
93.07047	6.0
93.70844	0.3
95.04959	1.0
95.08604	9.5
97.02884	4.3
99.04446	3.0
103.05492	0.6
105.01865	4.0
105.07036	11.7
107.08592	10.8
109.02882	6.4
109.06460	0.4
109.10159	5.0
115.05426	0.8
116.16359	0.3
117.01870	0.9
117.07018	5.4
119.08585	14.7
120.08909	0.4
121.10147	11.7
123.08057	0.5
123.11695	1.3
127.03908	8.8
128.06223	0.6
129.01833	1.0
129.06998	0.9
129.82179	0.3
130.07764	2.5
131.08568	12.9
133.10132	10.5
133.11137	0.7
134.10419	0.4
135.11659	2.5
136.06172	0.5
142.07843	0.5
143.08595	1.7
144.09331	3.0
145.04959	4.0
145.10121	39.2
146.09416	0.4
146.10532	1.6
146.85170	0.4
147.11678	3.1
148.43242	0.4
157.10138	1.6
158.10912	1.2
159.02910	3.2
159.11694	28.2
160.12244	1.0
161.13235	1.8
163.11179	2.8
171.11676	1.5
172.12373	0.5
173.13263	7.9
175.14790	2.3
186.14015	0.9
187.14751	0.8
199.14783	0.6
201.16379	100.0
202.16693	2.7
203.17949	4.9
213.03979	1.1
219.17442	10.4
231.05026	2.8
291.17334	0.5
328.37991	0.4
411.16562	0.4
449.21780	3.3
467.22845	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	664.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.6
55.01864	0.4
55.05507	0.9
57.07073	73.8
58.07402	1.0
59.05013	1.5
67.05506	0.9
69.03423	0.8
69.07059	1.6
69.25299	1.1
71.04988	0.5
71.08630	1.0
73.02898	0.8
73.06566	2.2
77.03927	0.9
77.55428	0.3
79.05495	1.1
81.07037	1.0
83.04973	0.9
83.08636	0.7
86.09737	0.6
87.04466	22.1
88.94585	0.3
89.06027	100.0
90.06379	0.8
91.05475	8.5
91.07617	0.4
93.07037	6.5
95.04968	3.3
95.08624	1.0
97.06502	0.5
97.10124	0.3
103.05481	2.1
105.04514	1.5
105.07027	2.9
107.04954	1.2
107.07074	1.7
107.08585	3.1
109.06526	1.3
109.10183	0.6
113.13285	1.4
115.05393	0.6
117.07027	2.2
117.09147	1.4
118.07790	5.4
119.04937	3.9
119.08584	6.8
121.06503	26.2
121.10120	1.6
122.06821	0.7
123.08043	1.8
123.11693	0.4
125.09580	0.3
128.06213	0.5
129.07021	0.8
130.08629	2.6
131.07042	9.7
131.08595	1.1
133.08598	64.2
134.08984	1.0
135.08037	5.2
135.10162	0.6
135.11667	1.9
137.09607	0.4
145.06508	0.5
145.10112	1.1
147.06865	0.6
147.08038	13.2
147.11726	0.7
148.08479	0.3
149.09596	5.8
149.13252	0.8
150.06755	3.5
157.10176	0.7
159.11641	2.6
161.09654	0.5
161.11752	0.6
163.07555	0.5
163.11166	3.7
165.07701	0.4
165.09111	9.4
167.10675	2.0
173.09689	1.0
175.09680	6.0
175.11185	0.8
177.11227	27.6
177.12706	2.2
178.11665	0.5
179.12764	0.4
184.07231	1.7
189.09236	0.5
191.10649	3.3
193.10703	0.6
193.12268	1.4
195.12347	0.6
207.13837	0.6
209.11708	5.0
209.13472	0.5
211.13222	2.7
211.41373	0.3
217.12180	0.4
217.17059	0.8
219.12167	1.5
221.13811	5.6
223.15329	0.4
231.17410	0.5
233.18988	20.6
234.19424	0.8
235.13280	3.6
237.15131	0.4
239.14728	0.8
247.20499	0.6
253.14420	1.4
255.15889	2.4
259.20538	4.0
265.16479	1.8
275.20090	0.6
275.23773	0.9
277.21606	30.4
278.21921	1.0
279.15918	1.1
283.17587	2.2
297.16983	0.6
299.18570	1.4
303.23206	2.7
309.19141	1.6
315.18042	0.9
319.22635	0.4
321.24213	11.0
322.24554	0.6
323.18680	0.6
327.20139	1.0
341.19473	0.6
353.21527	1.6
359.20761	0.5
365.26807	0.6
397.24478	0.5
403.23428	0.7
409.29727	0.4
427.31183	0.4
447.26071	0.9
474.50500	0.3
491.28714	0.9
535.30988	6.4
559.38019	0.8
603.40961	1.2
647.43610	17.4
648.43878	1.3
664.46344	13.4
665.46216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.4
57.03430	9.8
57.07078	9.7
62.08004	5.9
65.03951	7.0
67.05510	100.0
69.07082	29.6
69.80003	13.2
69.80391	14.0
79.05502	49.3
80.39386	7.0
81.07061	92.7
83.08630	15.3
91.05476	53.3
93.07041	53.2
95.04984	12.3
95.08623	53.3
97.06535	7.8
97.10143	8.2
98.22836	12.2
102.64794	6.5
104.43512	6.7
105.07039	29.3
107.08586	21.0
108.68494	7.4
109.10162	21.0
109.38918	7.2
117.07011	14.3
119.08597	25.9
121.10194	21.9
129.07027	8.8
131.08583	14.9
133.10110	20.3
145.10172	11.0
147.11691	8.2
159.11700	11.7
159.65030	7.0
161.13275	7.7
181.44687	6.6
185.13356	7.8
208.34938	7.9
234.32463	7.1
245.44907	6.3
248.59508	7.6
257.19135	10.8
275.20078	20.4
337.27438	85.2
349.23819	15.0
517.38678	9.0
531.40326	23.3
552.32983	7.4
571.43597	45.9
611.46521	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	665.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72958	0.4
58.26809	0.4
62.44196	0.4
81.00037	0.4
85.02934	0.6
90.64934	0.4
91.63182	0.4
105.07088	0.5
137.05957	0.5
172.50330	0.5
176.04489	1.0
177.05281	1.5
194.77664	0.5
203.03262	0.5
213.11150	0.4
217.04791	1.2
231.06351	1.6
243.12700	0.4
247.05739	1.0
248.06700	1.2
287.09052	1.5
298.52176	0.5
337.32425	0.5
371.11111	1.9
401.12094	6.4
425.12204	4.6
439.13358	0.5
440.14423	24.0
441.15109	5.4
465.30057	0.4
481.17285	0.9
530.13696	0.5
575.30542	0.7
634.20172	1.3
635.21307	2.4
665.22003	100.0
666.22296	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	665.292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.78276	0.4
64.27204	0.3
65.03928	0.8
65.62727	0.3
69.48792	1.1
70.06549	0.5
72.08156	11.4
80.20412	0.4
89.10792	8.1
91.05484	5.3
93.30178	0.4
98.06035	0.6
102.32796	0.3
115.08707	1.1
119.04947	12.5
136.06187	0.4
143.01753	0.4
146.51141	0.3
147.04410	100.0
148.04707	1.9
190.47380	0.4
202.14438	0.4
218.11772	13.4
219.12051	0.3
229.23634	0.3
235.14415	71.8
236.14691	2.0
290.36261	0.3
315.33597	0.4
344.47653	0.3
349.48956	0.3
486.14957	0.4
554.78827	0.4
665.27576	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.2
55.01873	1.9
55.05514	8.8
57.03450	2.3
58.44833	1.3
61.02929	3.1
67.05505	19.6
69.03432	14.6
69.07076	8.1
69.37437	7.1
71.04993	1.8
73.02920	3.6
74.02975	1.2
74.60404	1.4
77.03957	1.3
79.05499	13.2
81.03420	9.0
81.07056	49.2
83.08626	3.1
85.02904	37.8
87.00830	10.3
87.04489	1.7
91.05470	16.9
93.07046	35.2
95.04982	2.6
95.08607	63.2
97.02897	17.6
97.10160	1.8
98.23441	2.9
99.04468	3.5
105.01867	24.2
105.07030	55.5
107.08594	53.5
109.02876	10.6
109.10162	43.2
111.11726	2.3
117.07047	1.5
119.06138	1.2
119.08575	39.2
119.86861	1.2
121.10156	19.2
123.11723	9.9
123.16608	1.3
127.03917	19.4
131.08670	1.9
133.10129	26.5
134.22424	1.2
135.11711	13.7
145.04955	12.9
145.10130	2.7
147.02934	1.3
147.11688	48.9
149.13271	2.5
151.11147	3.1
159.02975	3.9
159.11688	2.2
161.13260	15.8
163.14851	11.2
167.07211	1.3
175.14822	6.9
189.03970	1.3
189.16284	1.7
201.16382	1.9
203.17949	100.0
204.18246	2.0
215.18033	1.5
221.19081	6.7
222.79604	1.2
231.04935	9.6
249.06131	6.5
271.24289	1.8
284.09656	1.5
667.19922	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	666.4342
Annotation	PAz-PC
Peak:m/z	Relative Intensity
55.01850	0.1
55.05502	0.3
56.05030	0.6
56.05877	0.1
56.65023	0.1
57.07061	0.2
58.06620	0.5
59.07397	0.2
60.08162	6.7
60.29057	0.1
67.05499	0.2
69.07066	0.2
69.24691	0.2
69.25087	0.4
70.06580	0.1
71.07372	3.1
71.08624	0.2
79.05508	0.1
80.97406	0.1
81.07053	0.2
83.08631	0.1
85.58546	0.1
86.09703	30.2
87.10022	0.4
90.01662	0.1
93.07027	0.1
95.08597	0.2
97.10172	0.2
98.98463	3.2
104.10741	2.4
105.07002	0.1
107.08614	0.1
124.99998	20.2
125.09618	0.1
143.01041	0.1
147.94315	0.1
155.31087	0.1
156.70993	0.1
160.67667	0.1
166.02650	0.1
184.07335	100.0
185.07680	1.1
312.11908	0.1
410.19495	0.1
496.34137	0.2
648.42542	0.1
666.43365	8.3
667.43756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.02386	0.6
92.17096	0.6
93.47410	0.6
139.19531	0.7
146.60762	0.6
204.03949	0.6
204.12885	0.6
205.04825	0.7
425.11917	3.7
440.14471	6.2
453.54419	0.6
480.73898	0.7
603.69415	0.9
667.23541	100.0
668.23828	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	667.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26408	2.9
52.79336	3.4
58.79415	3.7
70.05260	6.3
70.05585	4.7
81.99174	3.5
167.45665	3.7
320.35608	3.8
325.12238	4.2
389.17468	4.2
390.18228	4.3
391.19177	4.5
405.20679	7.0
406.21109	3.9
410.29260	4.3
419.22083	7.5
428.16400	4.0
435.18079	6.6
457.16409	4.6
461.19376	5.9
465.22806	6.0
479.20920	5.1
489.18567	5.1
493.22263	22.0
515.20746	5.3
516.21381	5.4
521.25305	7.6
547.22742	6.7
551.26532	10.0
565.24274	19.0
575.22455	9.2
579.25836	15.1
580.26813	79.8
581.26361	7.4
584.62378	3.8
607.25287	32.6
608.26154	5.4
635.24945	30.8
639.27631	8.6
649.26062	16.3
667.16589	6.1
667.27612	100.0
668.27795	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	667.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42809	0.4
53.58466	0.4
69.73515	1.0
69.73893	1.0
70.06580	0.5
75.61367	0.4
86.09703	3.8
89.03447	0.5
89.03899	2.7
101.92281	0.4
103.12344	2.4
104.53923	0.5
116.28273	0.5
117.03378	9.5
129.10269	1.2
145.02843	45.8
146.03149	1.3
149.05972	3.5
177.05464	100.0
178.05806	2.6
230.06091	0.5
231.11713	0.5
262.14352	0.6
279.17026	70.6
280.17297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
61.70921	0.4
66.74441	0.4
69.32373	2.0
77.81190	0.4
85.46521	0.4
120.81190	0.3
128.36508	0.4
154.02489	0.4
185.04137	1.5
201.03645	0.5
203.05243	9.0
278.38602	0.4
325.21234	1.7
505.27704	83.3
506.27966	4.9
667.32996	100.0
668.24554	0.4
668.33411	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	668.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69761	0.3
56.08194	0.3
56.27566	0.3
66.78108	0.3
69.10595	2.6
81.07077	0.5
83.56198	0.3
93.07100	0.3
98.23450	0.6
105.07063	0.4
119.96187	0.3
120.08205	0.4
125.05996	0.5
145.10129	0.4
159.09180	0.3
197.10944	0.3
209.10828	0.5
221.10896	0.4
223.12366	0.4
235.12346	0.4
237.10406	0.5
249.09975	0.4
286.13327	0.4
329.87253	0.4
363.16202	1.2
364.17169	0.4
371.13095	0.7
375.16171	0.8
376.16837	0.8
377.17542	2.3
378.18271	1.7
388.16824	0.7
389.17657	1.8
390.18225	1.7
391.19147	5.5
392.19913	2.4
393.20712	1.0
401.18033	0.5
402.18051	0.6
403.19254	2.2
404.14893	0.8
404.19855	2.3
405.15732	1.0
405.20599	5.0
406.16620	0.5
406.21259	2.5
407.22256	5.0
408.22711	0.6
415.18658	0.5
416.18661	0.7
417.20612	1.5
418.15881	1.7
418.21143	1.6
419.17340	3.1
419.22595	3.4
420.17175	2.9
420.23071	3.4
422.23776	0.5
430.20398	0.7
431.18604	1.1
432.17584	1.0
432.22183	1.4
433.18719	2.5
433.24350	0.8
434.19766	16.8
435.18338	1.2
435.22388	0.8
436.18936	0.5
445.19675	0.6
446.20245	2.4
447.21613	2.5
448.21448	9.7
449.20621	2.0
450.22867	0.9
451.21411	2.0
458.19620	0.4
459.22202	0.6
460.21671	1.5
461.23685	4.1
462.18802	3.1
463.21176	1.4
464.21909	1.4
474.18900	0.5
475.20392	1.2
476.20834	13.2
477.21994	1.9
478.19370	0.8
479.20712	1.2
487.21692	1.2
488.20990	1.7
489.23090	3.0
490.23181	1.3
491.21103	1.2
492.20779	1.9
493.25919	3.6
494.27045	0.8
502.22504	1.3
503.23297	0.7
504.20163	0.7
504.24829	0.8
505.22580	0.6
507.23260	0.5
508.26984	0.5
514.22571	1.5
515.20795	3.1
516.21161	1.4
519.24164	1.1
520.23877	0.5
521.25531	3.7
522.25952	0.5
530.21844	2.9
531.22644	5.1
532.23175	2.4
533.22266	1.0
534.24963	1.0
536.26654	16.2
537.25299	3.2
542.21899	0.7
546.25177	1.8
547.23334	8.0
548.23346	1.4
562.24615	4.1
563.25256	4.3
564.26086	7.3
565.24451	29.0
566.24774	2.6
580.25403	0.9
590.24139	6.6
591.13123	0.4
591.24426	0.9
592.25714	0.4
596.28375	1.0
608.25159	4.0
624.28162	29.2
625.28857	2.9
636.24597	0.5
650.26135	10.8
651.26239	1.2
668.27130	100.0
669.27502	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	668.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35582	0.6
98.23409	0.4
98.85385	0.2
190.80652	0.2
208.52882	0.2
389.17935	0.3
390.18082	0.3
391.18893	0.2
392.19824	0.2
403.19412	0.5
404.19794	0.9
405.20502	1.2
407.22263	0.9
416.19482	0.4
417.20493	0.7
418.16614	0.5
418.21329	0.8
419.22110	0.8
420.23013	0.9
430.20377	0.5
431.22427	0.3
432.17575	1.3
432.22818	0.6
433.18951	2.1
433.24014	1.7
434.18832	0.2
434.23694	2.1
444.22174	0.2
445.22827	0.4
446.19522	0.8
446.24069	0.8
447.20425	2.4
447.25156	0.3
448.21198	0.9
449.19797	0.5
460.21182	0.3
461.22372	1.0
462.22906	14.0
463.21887	1.8
464.22046	0.5
465.22870	0.2
474.23444	0.8
475.23441	0.4
476.21225	0.3
477.23019	0.9
478.23828	0.6
479.24463	1.7
486.20728	0.3
487.20505	0.2
488.25546	0.3
489.24164	0.2
490.22430	1.2
491.24142	1.1
492.19528	0.3
492.26169	0.9
500.24341	0.6
501.22742	2.1
502.22940	0.7
503.23703	0.2
505.25656	0.2
506.20721	0.9
506.28006	0.3
516.23889	1.2
517.24750	3.0
518.25085	0.3
520.23230	0.6
522.24988	0.2
528.23779	0.3
532.27069	0.9
533.25580	3.1
534.25073	1.2
536.24689	0.2
548.26678	2.2
549.27332	4.9
550.27380	0.6
551.26959	0.4
560.26385	0.3
565.28064	9.2
566.28534	1.3
576.26129	5.0
577.26788	0.9
579.25043	0.4
605.86682	0.2
608.28638	4.7
609.29303	0.5
636.28131	9.6
637.28595	0.8
667.45923	0.3
668.30762	100.0
669.31097	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	669.2925
Annotation	Agrimol G
Peak:m/z	Relative Intensity
62.09295	7.7
69.63506	8.5
69.63846	28.1
71.47176	7.0
90.95849	7.3
127.07909	8.1
127.83382	8.2
137.96846	7.8
201.50021	7.9
205.56569	7.7
211.32333	8.0
217.79124	11.2
420.77386	10.0
463.20932	12.1
523.27258	15.3
549.24585	15.2
577.24567	14.2
582.28131	13.7
609.26508	26.2
637.26538	50.4
638.26599	10.3
651.27612	9.9
668.46552	10.0
669.29327	100.0
669.46082	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	669.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32401	1.2
64.12457	1.1
69.48322	1.3
69.48653	5.1
71.78388	1.1
83.04990	1.4
118.06564	1.2
123.73874	1.2
181.02696	1.8
209.10724	2.0
211.12242	1.9
220.09888	1.4
221.10797	1.5
223.12372	1.5
225.13898	3.5
225.33197	1.1
235.12238	3.2
237.13924	3.1
249.10216	2.7
249.14014	1.2
277.09628	2.0
338.12704	2.9
399.16122	2.4
400.17258	1.7
403.15021	1.4
413.17627	2.4
415.19376	1.8
427.15186	2.3
428.16336	2.7
429.16788	1.5
433.20496	1.8
441.17123	5.1
442.17667	3.7
443.18353	1.8
447.22742	1.2
457.20300	6.3
458.20963	1.4
462.20273	1.4
469.16647	3.5
470.17282	3.4
471.22226	1.9
472.22357	2.2
475.21011	2.7
485.19394	3.9
489.22430	3.8
491.20950	2.0
498.17126	2.3
499.21475	14.9
500.22415	6.7
503.20544	4.8
511.21481	2.2
512.18610	3.4
513.19159	4.0
517.22357	13.3
518.22797	2.1
527.20825	29.9
528.21466	5.7
529.22028	1.7
533.22034	1.5
543.23724	16.2
545.22192	7.5
549.24719	1.9
555.20007	3.8
559.23553	7.1
577.23822	1.9
587.22870	100.0
588.22955	6.9
605.23663	3.0
619.25519	86.3
620.25464	7.3
637.26642	14.6
638.26770	1.3
669.32507	1.4
699.58966	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2921
Annotation	Agrimol G
Peak:m/z	Relative Intensity
67.05526	0.3
69.77287	0.6
69.77679	0.5
79.05504	0.3
81.03373	0.3
81.07065	0.6
98.23384	0.6
112.48169	0.3
223.12340	0.4
309.31500	0.3
328.38400	0.3
377.17615	0.5
379.19208	0.6
389.17300	0.4
391.19449	1.2
392.19958	1.2
393.20813	1.2
394.22147	0.3
403.19229	0.4
405.16318	1.7
405.21088	1.1
406.17715	0.8
407.18405	0.8
407.22836	3.1
408.22891	0.7
418.17816	1.1
419.18195	2.8
419.23438	0.7
420.19543	1.3
421.20111	2.8
422.20993	0.5
423.21973	0.6
431.18643	0.6
432.19339	0.6
433.20367	10.4
434.21356	5.2
435.21991	5.2
436.22800	1.4
445.20532	0.7
446.21100	0.9
447.22891	1.5
448.18375	0.6
449.19730	6.0
450.20007	0.8
451.21475	0.5
461.19931	1.2
462.20154	1.6
463.21182	3.4
464.22290	1.3
465.23068	0.5
475.21530	0.9
476.21808	0.4
477.22864	0.5
479.20618	0.4
489.23276	0.5
493.22745	1.8
495.23993	1.1
505.22617	1.2
507.20267	0.6
507.24338	0.6
508.21439	0.4
509.22269	1.1
520.24677	0.8
521.26093	6.8
522.22357	3.5
523.23218	2.9
524.24091	0.4
535.23346	1.7
536.24091	0.7
537.25732	0.3
547.49060	0.4
548.24512	0.7
549.25037	4.3
550.25775	0.6
565.24719	0.8
567.22815	1.2
577.24377	1.5
579.25964	0.6
580.26636	1.0
581.27277	1.7
591.26086	0.9
609.27051	16.0
610.27643	1.0
619.25507	0.4
637.26727	3.4
651.27637	0.7
669.29205	100.0
670.29565	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	669.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.57759	2.2
68.72324	1.9
69.60384	8.4
70.01026	2.1
81.07039	2.3
108.97717	1.8
162.16110	1.9
166.18454	2.1
243.29991	2.1
246.11688	1.9
247.12263	3.0
261.84549	2.2
303.06198	2.2
391.19308	2.6
403.19110	2.5
404.20129	2.3
405.21164	2.6
419.18011	3.5
430.17447	3.7
431.18457	4.0
436.22470	2.8
444.19434	3.6
445.20374	14.5
446.20715	4.5
447.17361	4.0
447.22357	3.6
459.21988	12.5
460.22696	15.7
461.19467	2.8
471.16971	2.6
473.23190	8.5
474.24823	10.1
476.21967	6.0
486.20383	4.7
487.21429	2.3
489.22913	5.4
499.21338	4.8
500.22134	4.3
501.22986	12.6
502.23807	3.2
503.20670	6.1
507.23660	4.1
518.19177	15.0
527.20428	4.1
529.22174	6.9
531.23840	13.5
533.25800	10.2
549.24670	6.6
559.23303	2.7
561.24933	58.3
562.24506	3.8
563.23083	3.2
577.24371	2.7
581.28119	3.0
587.22845	5.7
593.27472	10.8
600.39264	2.3
605.23944	100.0
606.23981	6.9
609.27271	12.9
619.25446	5.8
637.26544	83.9
638.26764	7.7
669.28497	11.5
669.39642	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	669.2918
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
53.44543	1.0
66.17038	1.1
69.91388	2.0
69.91730	1.6
81.07043	1.1
89.06034	1.2
91.05524	1.5
98.23401	1.4
134.06085	1.2
145.10150	1.2
146.06075	1.4
174.05464	4.0
192.06587	2.5
202.04976	10.7
207.09225	1.1
209.10681	1.0
221.10754	2.0
222.11478	1.1
224.09486	0.9
234.07620	14.4
235.12279	1.3
253.13309	1.2
259.11047	1.1
272.12012	2.0
274.13248	2.2
286.13412	3.1
288.15002	2.4
300.14923	4.3
302.16483	4.8
312.11346	1.1
313.12039	1.3
314.16455	1.5
316.17996	2.1
326.16418	1.4
328.14398	3.0
330.15826	1.4
340.14288	1.5
342.15970	1.5
344.17578	1.3
354.16031	1.2
374.18796	1.3
389.17633	1.7
398.15207	1.1
401.17645	1.6
402.18283	6.0
403.18991	1.9
404.20807	1.3
407.22372	1.5
413.17578	1.7
415.18964	2.7
416.19897	2.9
417.21176	5.8
418.21213	4.5
419.18295	1.5
430.21655	5.3
431.22208	3.9
433.16312	1.6
435.21710	1.1
443.18079	1.4
445.20477	1.5
449.19562	1.6
459.21872	2.4
463.21152	2.6
472.22781	1.3
474.20581	1.4
475.21158	1.3
485.19101	1.4
486.20233	2.3
487.21545	1.6
489.19104	4.7
491.20297	7.6
499.21109	1.5
501.22562	4.0
503.20691	1.3
505.22043	2.2
507.20200	9.1
517.22253	1.8
521.21906	7.6
529.22357	1.5
531.23865	1.2
533.25311	1.6
535.23254	3.7
549.20856	2.2
559.23340	9.6
561.25183	8.3
562.22443	1.8
563.22754	9.9
564.23291	7.5
565.23950	1.7
576.23553	2.3
577.23920	2.6
587.22797	2.1
591.25781	2.2
593.27856	1.4
605.24078	5.6
619.25470	37.2
620.26245	8.9
622.24054	3.5
637.26550	70.6
638.26965	8.2
651.28076	100.0
652.28479	11.0
669.29742	5.3
669.44037	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	669.292
Annotation	Agrimol G
Peak:m/z	Relative Intensity
55.05523	0.5
63.56678	0.4
69.19796	1.0
69.20207	1.6
77.48064	0.5
81.07076	0.7
107.34336	0.4
140.68739	0.4
282.44897	0.4
332.00909	0.4
390.18613	0.8
391.19504	1.0
392.20184	0.8
393.20694	2.6
394.21469	0.8
405.16486	2.5
406.17917	1.3
407.18723	0.6
419.18643	3.1
420.19351	2.4
421.20166	4.5
422.20917	0.6
429.17105	0.6
430.17938	0.5
431.18637	0.6
433.15875	0.8
433.21396	1.9
434.21063	1.5
435.18088	1.4
445.20453	0.8
447.17572	2.5
448.18707	3.2
449.19675	5.1
450.20557	0.7
451.21173	0.5
461.20010	2.8
462.20590	1.2
463.21426	1.6
472.19244	0.5
473.19672	0.7
475.21136	1.4
476.18323	1.3
477.18649	2.4
489.19479	1.7
490.20187	0.9
491.20911	1.6
492.21649	0.8
503.20938	1.7
504.21887	0.6
507.24301	3.8
521.24878	0.7
522.22540	0.7
523.23877	0.8
535.23438	9.1
537.24292	0.5
549.24878	4.2
550.25665	0.9
559.23273	1.2
563.22839	15.9
564.23248	1.6
567.25806	1.1
577.24628	4.6
578.25067	1.2
579.25336	1.9
581.27850	2.0
595.25427	4.3
605.23444	0.5
609.27014	5.1
610.27283	0.7
619.25623	1.1
623.25031	6.7
624.25922	0.7
637.26685	2.8
641.29779	1.6
669.29187	100.0
670.29480	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	669.2924
Annotation	Agrimol G
Peak:m/z	Relative Intensity
58.56403	1.3
67.05498	1.2
69.36512	5.1
75.46767	1.1
79.05517	2.0
81.07077	1.8
83.18819	0.9
91.05562	1.2
93.07092	1.7
95.01581	1.0
95.05021	1.0
95.08655	1.7
105.07034	1.6
106.06592	1.1
120.08151	1.6
123.83083	1.0
132.07977	1.1
174.09283	1.6
178.05022	2.0
183.09160	1.0
209.10617	1.1
211.12332	1.6
225.10358	1.9
226.48714	1.0
238.11125	1.4
239.12004	1.8
240.12682	1.8
251.08203	1.2
253.13422	1.3
267.11530	1.1
277.09769	1.5
281.13022	1.3
299.14212	1.8
300.11508	1.3
328.14386	2.0
338.13013	1.4
338.16898	1.2
354.12244	2.3
431.19128	1.5
433.20319	3.1
449.19815	2.0
461.19760	2.4
463.21652	1.6
465.19147	2.5
474.20856	1.3
475.17200	2.7
479.20743	1.7
489.19061	1.9
489.23645	1.3
490.19504	2.4
492.21545	1.5
493.22745	1.9
503.20969	3.0
505.23087	1.5
507.20114	3.1
517.19250	6.4
518.23230	1.3
531.20520	1.2
535.23596	3.9
545.21783	1.7
547.20874	1.6
549.25250	2.9
550.25238	1.4
551.26373	1.5
561.21582	1.7
562.22070	3.8
567.26422	4.9
568.27094	1.7
576.23608	4.9
577.24182	2.5
591.26062	2.6
604.23230	2.3
609.26910	7.3
610.26410	1.5
619.25525	5.0
627.27808	6.7
637.26825	11.3
651.28143	100.0
652.27997	9.8
654.27124	3.0
669.29260	76.4
669.40845	3.3
670.29926	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	669.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96925	0.6
69.71925	2.1
81.06973	0.6
93.06983	0.7
118.06499	1.0
119.08544	0.7
121.06385	0.7
195.09048	0.9
196.09822	0.6
197.10628	1.2
208.09872	1.0
209.10637	1.8
210.11433	0.8
211.12190	0.7
219.09019	1.0
220.09862	0.9
221.10707	1.4
222.11537	0.8
223.08701	0.9
223.12193	2.0
224.12755	1.0
225.13850	3.6
233.10692	1.0
235.08681	1.3
235.12234	2.2
237.10228	0.8
237.13705	2.1
238.14487	0.8
239.15356	0.6
247.08621	0.7
249.10143	1.8
249.13930	1.5
251.07903	0.6
263.08093	0.8
273.13916	0.7
275.08029	0.8
275.15320	0.7
277.09616	1.2
288.11368	0.7
298.13431	0.7
303.07568	0.9
305.09097	0.7
313.11694	0.6
324.11337	1.0
325.11899	1.2
326.12646	0.8
338.12994	1.8
340.14316	1.8
354.12152	1.1
354.16470	0.7
367.13000	0.7
382.15332	0.8
387.16092	1.0
399.15860	1.2
400.16794	1.3
401.17700	0.8
405.16977	1.3
413.17569	1.8
417.17172	0.8
419.18619	1.2
425.17685	0.8
427.15381	2.6
428.16281	1.8
429.16196	1.0
429.21042	1.6
432.19504	0.9
433.20401	0.9
439.18399	0.7
440.16412	0.9
441.17294	4.4
442.17886	2.8
443.18549	2.5
454.19330	0.9
455.14853	1.8
456.19690	1.8
457.20627	3.8
458.21005	0.8
459.17987	1.0
460.18646	1.5
463.21304	0.7
467.18524	0.8
468.17712	0.7
469.16525	4.3
470.17468	2.8
471.17068	1.1
471.22174	2.1
472.22913	3.1
474.20096	0.8
475.21347	4.2
484.18945	1.5
485.20004	4.9
487.21451	1.1
488.18454	0.8
489.23047	3.3
491.20547	3.2
497.15958	1.7
498.16824	1.4
499.21481	16.2
500.22192	6.5
501.18951	1.7
502.19745	1.3
503.20331	4.7
504.21124	0.8
505.22232	1.5
511.21292	2.6
512.18549	2.0
513.19141	2.2
514.19824	1.2
517.22473	12.1
518.22949	2.4
527.20807	22.0
528.21448	5.3
529.22705	1.8
531.23724	1.1
535.22913	0.7
543.23975	14.6
544.23682	1.3
545.21729	6.1
549.25098	1.3
555.20178	3.0
559.23663	6.1
560.23840	1.4
573.20972	0.8
577.24103	1.2
578.25275	1.2
587.22894	90.0
588.23193	8.7
605.24237	4.0
619.25537	100.0
620.25848	11.4
631.93750	0.7
637.26556	21.8
638.26813	2.7
651.29370	0.8
669.29376	3.6
669.43866	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	669.2924
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
51.79805	0.6
69.07072	0.5
79.05499	0.7
81.07070	1.2
91.05474	1.2
93.07056	0.6
95.08610	0.6
119.08624	0.6
120.08103	2.4
133.10159	0.6
146.05991	0.8
164.67667	0.5
166.13467	0.5
166.51163	0.4
171.09239	0.8
193.47183	0.5
196.09918	0.6
209.10793	0.8
211.12331	0.6
224.09612	0.6
237.10205	0.7
269.09396	0.6
288.11459	0.5
300.11505	0.8
300.14984	0.5
301.12335	1.2
302.12943	0.6
314.12897	0.9
315.13696	1.2
316.10944	0.8
316.14551	0.6
325.12384	0.7
326.12973	1.0
328.14536	1.2
329.15250	0.9
341.11569	1.1
342.12433	1.2
342.16068	0.8
343.13669	0.6
350.12656	0.6
355.13254	0.7
356.14111	1.3
358.15601	0.8
360.13678	0.8
368.13953	0.7
370.15628	0.6
372.17285	0.8
374.15173	0.9
376.17117	0.6
377.17706	0.8
382.15793	0.7
388.16782	1.6
389.17502	0.7
391.19461	1.3
398.15259	0.8
402.18500	0.8
403.14743	0.5
403.19385	0.7
404.20078	0.6
405.16663	1.2
406.17566	0.8
407.22507	0.9
414.18173	0.7
418.17886	0.9
419.18405	1.3
421.20114	0.7
431.18634	1.1
432.15405	0.7
433.20667	0.8
443.18918	0.8
445.16296	1.0
447.17798	0.9
461.20001	1.5
462.20673	0.8
463.21088	1.0
465.19028	2.3
471.47153	0.5
475.21484	1.8
479.20825	0.8
489.23126	1.0
491.20798	2.8
493.22089	0.7
503.20850	1.6
504.21671	0.6
507.20114	10.2
517.22278	2.3
518.22955	0.7
521.25415	0.8
535.23492	1.7
549.25061	2.8
563.22290	0.6
566.25952	0.7
567.25928	0.9
577.24518	2.7
578.24664	1.0
581.27783	0.8
605.23645	0.7
609.27258	8.0
637.26587	100.0
638.26904	8.5
669.29132	14.4
669.41382	3.0
670.29260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
53.03948	2.2
55.01872	3.4
55.05511	4.0
57.03444	5.1
61.02924	5.9
65.77474	1.1
67.05496	7.6
69.03429	18.6
69.07069	58.5
70.06593	3.1
70.58213	1.5
71.04999	3.0
73.02924	2.0
73.06553	8.5
79.05480	8.1
81.03421	9.2
81.07059	16.2
83.08636	1.4
85.02905	49.6
85.06557	1.4
87.04494	3.0
89.03918	1.2
91.03957	2.5
91.05491	11.6
91.22344	1.1
93.07034	15.3
95.04968	7.4
95.08607	9.5
97.02892	17.5
97.06530	13.7
99.04453	2.6
99.08093	1.6
100.16338	1.1
104.05270	1.3
105.07028	20.8
107.04961	3.8
107.08604	11.5
109.02877	7.3
109.06512	23.7
109.07217	1.7
109.10166	5.1
111.08067	1.4
113.06015	2.1
115.05470	1.6
115.07572	21.7
117.03409	3.0
117.07031	7.4
119.08577	17.7
121.06521	11.1
121.10136	10.2
123.08095	1.7
123.11690	3.2
125.05981	1.3
125.09650	3.1
127.03900	7.3
127.11191	1.6
128.06252	3.3
129.06992	7.5
131.08566	12.7
133.06511	1.2
133.10130	9.2
135.04410	5.4
135.08089	3.1
135.11720	6.2
137.05991	3.6
137.09645	2.2
141.06999	2.6
142.07758	2.3
143.08560	21.2
145.02879	3.7
145.04970	7.7
145.10127	28.0
145.11224	2.2
147.08057	2.8
147.11681	39.7
148.12054	1.5
149.09616	3.1
149.13243	2.5
151.07576	1.7
155.08551	13.4
157.10133	13.2
159.08017	2.1
159.11703	18.2
161.09618	3.5
161.13277	5.6
163.03902	22.4
163.11264	5.2
164.04359	1.3
165.06989	1.4
167.08582	3.2
167.09290	1.3
167.10689	19.4
168.09288	1.2
169.10130	13.7
171.08046	3.7
171.11678	14.3
172.12335	2.2
173.09660	5.2
173.13269	9.8
175.11176	3.8
178.07802	1.3
179.08609	4.3
180.09364	1.2
181.10121	11.3
181.11623	1.5
182.10954	2.4
183.11673	9.7
184.12485	2.0
185.09731	2.1
185.13251	11.3
187.11287	1.3
187.14830	2.3
192.09317	3.2
193.10162	9.7
194.10776	1.2
195.11668	6.4
197.13248	9.5
198.13725	1.5
199.11192	2.1
199.14816	8.1
201.16393	2.8
205.04755	5.5
205.10190	2.7
206.10782	1.7
207.11707	10.4
208.12354	1.3
209.13393	6.6
211.11258	1.9
211.14769	7.3
213.12787	2.5
213.16451	4.3
219.11702	5.4
220.12560	3.5
221.13316	6.6
223.14815	15.1
224.15466	2.1
225.12769	1.4
225.16420	6.0
227.14323	2.2
228.15163	1.6
229.15726	1.4
234.13969	6.3
238.13600	1.4
239.14310	4.2
239.17902	13.0
241.15871	5.0
243.17468	1.4
249.16389	51.3
250.16867	4.1
251.17967	2.0
252.15260	1.3
257.19092	1.9
267.17444	73.6
268.17822	4.8
269.19064	1.8
271.20657	1.3
279.21179	4.4
285.18497	51.4
286.18814	2.9
297.22147	10.2
303.19418	3.5
309.18436	3.7
315.23227	3.6
327.19531	22.3
329.21249	2.3
345.20609	100.0
346.20972	4.8
357.24249	2.9
363.21576	4.4
375.26285	1.6
385.27371	2.6
393.27686	5.0
411.28796	10.9
429.29926	9.2
441.25165	2.2
453.30203	1.6
469.46817	1.0
471.31155	10.4
489.24918	2.0
489.32172	26.1
490.32147	2.1
507.33191	81.8
508.33456	8.7
565.33673	2.2
591.34955	2.5
633.36102	3.3
651.37250	5.9
669.21912	7.6
669.38727	16.5
670.38147	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	669.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87361	2.4
53.03960	3.7
55.05515	8.5
57.03436	7.3
57.22515	2.7
59.28233	2.4
61.02924	7.7
62.22242	2.5
67.05504	9.2
68.90382	2.4
69.03438	21.0
69.07072	64.3
70.48897	2.3
70.54958	2.2
71.45816	3.9
73.02904	3.6
73.06561	8.7
73.09921	2.4
79.05490	5.2
81.03428	7.8
81.07060	12.2
85.02908	47.9
85.06549	2.6
87.04483	3.3
91.03929	3.2
91.05488	9.2
93.07071	14.1
95.04999	4.6
95.08600	6.3
97.02899	18.3
97.06525	17.5
97.10186	2.6
99.04494	3.8
105.07022	20.8
107.08611	8.7
109.02895	7.3
109.06523	27.9
109.10165	5.5
115.07582	26.6
117.07003	6.2
119.08604	20.7
121.06512	12.1
121.10162	10.7
125.09695	3.4
127.03944	9.9
127.11237	3.7
128.06227	3.3
129.07021	8.0
131.08606	11.2
133.10208	7.1
135.08029	4.5
135.11711	4.6
141.07004	4.0
142.07753	3.4
143.08560	36.3
145.04924	6.9
145.06544	3.4
145.10126	50.2
147.04420	6.6
147.11668	12.6
149.09607	3.5
155.08612	11.1
157.10147	17.9
159.08101	2.8
159.11707	14.2
161.09636	5.4
163.11186	13.4
167.10680	18.5
169.10158	13.8
171.08101	6.7
171.11667	12.6
173.09648	4.3
173.13318	6.6
181.10107	12.6
183.11710	9.4
185.13319	8.9
193.10178	7.9
194.10889	3.6
195.11674	5.8
197.13271	6.8
199.14842	10.7
205.04761	9.5
205.10139	2.9
207.11699	11.3
208.12323	3.8
209.13281	5.7
210.02431	2.7
211.14825	6.9
213.16396	10.2
215.18144	3.5
221.13300	8.0
223.14786	12.5
225.16234	5.1
227.14267	3.6
239.17976	11.8
241.15901	3.8
249.16431	37.7
267.17435	83.9
268.17834	5.6
269.18964	4.6
279.21121	7.7
285.18509	66.6
286.19043	3.7
297.22217	17.5
315.23077	5.1
327.19531	21.2
345.20621	58.8
346.21167	3.1
357.24048	2.9
363.21854	13.1
385.26932	3.3
393.27823	8.3
411.29044	16.0
429.30161	12.1
435.24857	2.6
457.23163	2.4
471.30963	6.1
489.32153	16.4
490.33179	3.5
507.33194	100.0
508.33719	6.2
651.37213	4.0
669.22131	15.1
669.38409	25.5
670.21198	3.5
670.37225	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	669.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	4.3
59.68232	0.3
67.05515	0.7
70.56393	0.4
71.95260	0.8
74.97580	0.4
77.93984	0.3
78.51720	0.3
84.96014	0.5
91.05512	0.5
97.96836	0.9
98.97581	0.7
110.97565	3.8
111.98371	1.0
115.97854	0.5
124.99117	0.8
128.98624	3.6
129.99403	2.8
141.02304	0.4
141.99362	1.0
143.00139	1.0
146.99637	2.1
148.00439	1.6
153.02245	0.4
155.03764	0.4
157.01741	0.3
160.00410	1.0
161.01208	1.3
161.98470	0.3
169.05348	0.4
171.02052	0.3
171.03342	1.7
172.00511	1.1
173.01311	0.5
175.02786	0.4
181.05466	0.5
182.99649	0.5
183.03293	0.9
184.04068	1.3
185.01266	0.6
185.04861	1.7
186.01956	1.0
187.99866	0.4
189.04280	1.6
190.01547	0.9
197.01236	5.4
197.04881	0.9
199.06419	3.5
201.00740	1.1
201.04376	1.3
201.07976	0.5
202.05136	0.8
203.02336	0.6
203.04227	0.3
203.05925	1.4
204.03029	0.9
205.07576	0.4
207.05438	0.4
209.04843	0.3
211.02745	0.7
211.06491	1.2
213.04533	0.4
213.08034	1.3
215.02281	4.0
215.05896	0.5
217.04002	0.5
217.07469	3.7
219.01669	0.3
221.04909	0.9
222.05777	0.5
223.02818	0.5
223.06396	0.4
225.04341	0.5
227.05995	2.1
229.03882	0.6
229.07500	5.0
230.08124	0.4
231.09019	0.7
238.03822	0.6
239.05901	4.9
240.06674	3.7
241.07491	1.0
243.09052	0.6
244.06273	0.7
245.06985	1.0
247.08586	2.4
255.09128	0.4
257.06985	12.5
258.07764	16.0
259.08450	1.9
262.08972	0.5
267.09293	0.4
275.07968	2.2
276.08826	6.8
279.08859	0.4
280.08859	1.1
280.09320	1.1
281.09274	1.6
289.14746	0.8
290.06754	0.6
295.12082	0.4
298.10867	0.7
299.10583	0.5
303.16309	0.4
307.15829	1.2
313.14658	1.2
331.15823	15.6
332.16110	1.0
347.15445	0.5
349.16867	100.0
350.17197	4.2
367.17932	31.9
368.18213	1.2
372.18420	1.4
385.19070	0.8
390.19522	13.8
391.19955	0.6
424.19846	0.6
651.39063	0.4
669.40485	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	669.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.5
57.03423	0.3
62.98255	0.4
67.05495	0.5
75.68782	0.2
77.96962	0.8
79.05486	0.5
81.07052	0.5
83.08618	0.3
85.26134	0.3
85.97440	0.2
89.96909	0.2
91.05496	0.3
93.07056	0.4
95.08627	0.4
103.98503	0.5
107.08528	0.4
116.99265	1.1
119.08559	0.2
135.07945	0.2
166.00035	0.3
173.05504	3.4
174.06224	0.3
187.03600	0.3
215.06567	1.0
217.08002	0.3
237.22156	0.4
245.07593	3.3
246.08377	2.0
264.08234	1.0
278.07291	0.8
335.21872	1.5
339.19070	1.2
357.20111	100.0
358.20493	4.0
375.19916	1.0
536.67871	0.2
669.41968	4.8
670.41565	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40456	0.3
60.75414	0.3
67.08680	0.3
67.46004	0.3
69.23009	0.7
69.23412	1.2
72.76515	0.3
75.03765	0.3
79.05498	0.6
81.07042	1.0
91.05486	0.6
93.07040	0.4
95.08575	0.5
105.07057	0.7
107.08597	0.6
107.72494	0.3
119.08614	0.6
121.10162	0.5
133.10149	0.4
173.13342	0.6
175.14926	0.5
301.21765	0.4
302.13013	0.4
309.12976	0.4
328.14304	0.4
374.15201	0.4
377.17609	0.6
379.19144	0.4
391.19299	1.8
392.19882	0.9
393.20840	1.4
404.20071	0.7
405.16534	3.4
405.21091	1.2
406.17389	0.8
406.21780	1.0
407.17880	0.4
407.22397	6.3
408.22870	1.4
418.22272	0.5
419.18042	4.2
419.23373	1.0
420.18893	2.8
420.24442	0.5
421.19962	3.5
431.18604	0.5
433.20450	5.1
434.21002	7.0
435.21783	8.2
436.22403	0.6
437.24002	0.4
446.21262	0.7
447.17377	1.2
447.22000	2.4
448.18298	0.6
448.23447	0.8
449.19675	1.1
449.24399	0.5
459.22006	0.5
461.18964	0.7
461.24298	0.8
462.20215	2.7
463.21115	4.5
464.21957	0.8
465.22577	0.7
475.21301	1.7
476.22064	1.1
477.22870	1.4
478.23566	0.7
479.20944	1.5
489.22885	1.1
490.23935	0.5
493.26437	0.6
494.23651	0.4
506.23367	0.6
517.22357	0.5
521.25580	20.1
522.26160	1.6
535.22882	1.8
547.27222	0.8
549.24976	23.6
550.25323	1.7
563.26605	1.7
578.24554	0.4
580.24451	0.6
581.18298	0.7
581.27606	16.3
582.28180	2.0
595.26672	1.1
607.29462	1.3
609.27069	18.3
610.27325	3.2
623.28717	1.4
624.29565	1.0
670.28699	100.0
671.28925	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	670.401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.05512	29.4
55.05782	1.7
57.03438	9.0
57.07075	12.5
58.77696	0.9
61.02629	1.8
61.02927	25.7
61.07955	0.9
61.68105	0.9
65.03939	0.9
67.05504	36.9
69.03426	4.2
69.07068	46.5
71.04989	4.1
71.08632	9.2
73.02912	10.4
75.04485	1.8
79.05493	17.7
81.03435	1.7
81.07058	52.7
83.04971	1.5
83.08619	41.2
85.02908	32.0
85.06558	2.0
85.10181	4.2
91.03958	24.9
91.04502	1.8
91.05490	4.0
93.05479	0.9
93.07049	24.3
93.07661	1.1
95.04987	1.7
95.08611	40.5
96.08934	1.1
97.02893	15.6
97.06535	9.6
97.10167	26.4
99.04444	1.8
99.08097	3.3
104.10754	2.6
105.07010	0.9
107.08598	21.1
107.09328	1.1
109.10164	18.5
111.08070	7.1
111.11710	6.1
113.00016	4.6
113.09677	1.5
115.03935	2.3
115.11237	1.6
119.08584	18.0
121.10145	48.3
122.10492	1.5
123.08103	1.3
123.11708	15.4
125.09644	3.5
125.13273	1.0
127.03916	9.4
127.11171	1.3
133.10173	0.9
135.08044	3.8
135.11691	37.6
137.05977	3.0
137.13239	13.1
139.11191	4.4
143.10635	1.1
145.04962	13.5
145.10042	1.0
149.13251	15.5
151.14784	1.7
153.12769	3.0
163.06013	23.2
163.07309	1.7
163.14833	6.3
167.14378	1.7
177.16321	1.9
179.14323	3.8
199.16823	0.9
219.21083	40.4
220.21538	1.4
237.22131	97.5
238.22511	3.1
238.25282	2.6
255.23206	24.8
256.23691	1.2
256.26315	17.2
256.28851	1.5
311.25793	100.0
312.26221	5.1
314.90503	0.9
317.13492	1.1
320.95255	1.0
329.26852	82.8
330.27231	2.8
331.26392	3.1
405.30133	4.9
473.31265	5.6
517.29254	6.3
550.20618	0.9
568.23688	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.65641	3.8
105.07082	5.0
237.10211	7.8
243.11279	11.1
262.31924	3.7
263.11914	4.9
332.14096	5.2
333.14664	10.1
363.16013	5.3
375.15689	4.9
393.16766	4.6
397.17548	5.9
407.18707	5.1
423.17960	5.8
436.18997	9.0
437.19684	12.3
449.19421	9.3
451.21692	5.4
452.21811	4.5
453.22723	6.3
463.21664	5.8
464.21841	4.3
475.21326	15.0
491.20847	7.1
492.21756	7.4
493.21396	6.6
497.25140	7.1
509.21277	10.1
522.22479	28.6
523.23334	17.8
524.23932	20.0
525.24786	8.8
540.26959	7.8
551.22559	27.5
552.23407	10.2
567.25739	5.3
589.23932	8.3
595.24597	4.8
607.26544	5.3
611.24963	97.7
612.24963	11.3
627.28040	33.9
639.24365	100.0
640.24536	9.8
671.30713	95.9
672.31000	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	671.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76875	0.6
68.60002	0.7
69.17519	3.8
86.89240	0.6
93.07037	0.8
98.22648	0.9
105.07064	0.9
120.27046	0.7
151.88058	0.7
223.12497	0.7
225.13922	0.7
237.13840	1.0
237.24870	0.8
238.14621	0.8
288.04089	0.7
301.07892	0.6
306.02036	0.7
318.16129	0.9
353.17551	1.5
367.19180	1.3
379.19278	1.1
380.20050	0.9
381.21100	1.0
390.18472	1.0
391.19693	0.9
393.21115	0.7
395.18738	2.2
407.18521	1.4
409.20313	1.0
410.21005	1.2
421.20135	1.4
422.21088	1.4
423.22119	1.8
425.23276	1.0
431.18771	0.8
437.23514	1.4
438.20401	4.0
439.21268	1.9
446.20953	0.9
447.22488	1.4
449.23788	2.0
451.21478	1.6
453.23004	6.2
454.23447	1.4
459.22049	1.0
462.21051	1.1
464.18323	1.1
465.22946	1.0
467.24518	0.9
469.25955	2.1
474.24472	1.4
476.21979	1.4
477.22812	2.2
479.20853	1.1
483.24118	1.2
493.22116	0.8
495.24167	1.4
497.25543	5.0
502.23190	1.4
503.20935	1.5
507.23938	0.8
510.26065	0.9
512.28101	4.1
520.24725	1.2
523.20056	2.0
523.27313	0.9
525.25317	3.2
533.25531	1.7
534.26117	0.8
535.27228	1.1
536.24036	0.8
537.24774	2.1
538.25848	2.5
540.27271	6.7
545.25800	1.3
551.26495	3.1
561.25452	1.0
563.26434	2.8
563.44537	0.8
579.25964	2.0
589.24426	2.4
593.27832	1.3
607.25519	1.8
611.28864	2.2
632.16113	0.7
639.28015	8.0
671.30713	100.0
672.31055	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	671.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33811	0.8
65.71600	1.0
69.53387	1.4
69.53723	3.9
74.22887	0.9
183.09250	1.4
211.12169	1.2
223.12430	1.4
236.09529	1.2
237.10287	2.0
243.11237	5.2
249.10100	1.4
261.10651	1.1
263.11902	2.3
265.13336	1.1
277.13324	1.3
288.12369	1.2
289.13336	1.7
290.14053	1.6
305.12711	1.1
316.14432	2.3
318.12802	1.3
324.14902	1.5
333.14926	2.2
346.15723	1.3
355.12598	1.0
379.19547	2.7
381.20889	1.3
395.18762	2.5
405.17184	2.0
406.18066	1.5
407.18384	1.7
409.20227	1.9
417.17014	1.9
419.18854	2.3
421.20398	1.7
423.17676	1.6
424.51443	1.2
431.18796	2.8
432.19571	1.4
435.17532	1.8
436.18878	2.0
437.19421	7.8
438.20633	3.3
439.21344	1.9
447.17828	2.0
448.18698	1.6
449.19275	5.2
450.20636	2.9
451.21323	5.3
453.22998	7.1
454.24088	1.4
460.23251	1.7
461.19742	1.0
463.21725	1.7
464.22354	2.0
468.18079	1.3
474.24286	1.2
475.21149	5.5
476.22073	2.0
477.18979	1.8
478.20273	1.4
479.20413	1.2
481.22610	1.6
482.22983	1.4
483.23816	1.5
490.23764	1.3
491.20935	5.0
492.21454	2.6
493.22580	2.8
497.25439	3.1
502.23862	2.0
507.20645	3.4
508.24466	1.6
509.22003	3.4
512.27716	2.5
521.21881	1.4
522.22540	10.3
523.23785	6.7
524.24152	8.5
525.24933	7.2
533.23981	1.5
535.24237	2.7
536.23389	1.3
538.25623	2.6
540.27350	6.9
545.25446	2.5
551.22723	12.5
552.23566	6.3
561.25696	2.1
563.26965	1.3
567.26031	3.3
577.24622	1.3
579.23053	2.3
584.27087	1.5
589.24561	4.4
593.27435	1.3
595.25574	4.4
597.23450	2.2
607.24408	1.6
609.27161	2.6
611.24927	51.0
612.25378	5.3
627.28088	17.5
639.24384	52.9
640.24591	5.2
653.29950	2.0
671.30713	100.0
672.30878	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	672.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55314	0.4
57.07087	0.5
67.34191	0.4
69.33128	2.0
71.08636	0.5
79.11486	0.4
81.07063	1.0
95.08621	0.6
98.62241	0.5
118.64121	0.4
232.70511	0.4
301.21802	0.4
313.27441	1.6
331.28467	0.8
381.36188	0.4
383.11469	0.4
385.13562	0.6
397.12857	1.4
398.13712	1.7
399.14572	0.8
400.16058	0.7
409.12036	1.2
410.12418	2.3
411.13922	2.0
412.15326	2.4
413.16187	2.5
414.17325	0.6
422.13318	0.7
423.13376	2.0
424.14130	4.2
425.15240	6.2
426.17279	2.1
427.18365	2.2
428.19235	2.2
429.15320	0.7
430.16013	0.7
436.14197	1.8
437.15570	2.2
438.16168	4.3
439.17459	2.5
440.13431	2.6
441.14224	6.2
441.19482	1.7
442.19543	0.7
443.17154	1.0
444.18304	0.7
449.15698	0.6
450.16061	0.7
451.16174	1.3
452.16031	0.8
453.14737	2.2
454.19821	4.6
455.16180	3.1
456.17743	1.0
456.48880	0.5
465.14816	0.7
466.15173	1.3
466.19830	0.5
467.16513	1.4
468.18353	2.0
469.19055	2.6
470.18500	5.4
471.17090	1.5
472.17468	1.2
479.16455	0.6
480.16653	1.8
481.18201	2.5
482.14948	1.8
482.19095	1.6
483.16217	3.8
484.17108	1.0
485.18295	1.9
486.19601	1.1
494.18887	2.4
495.17212	1.6
496.16907	2.6
497.17148	5.6
498.17700	3.0
499.16788	0.6
508.16525	1.5
509.17795	2.2
510.14017	1.1
510.18619	1.3
511.15875	2.4
512.15631	2.4
513.17749	1.0
515.22656	0.9
522.17932	1.6
523.15961	0.6
524.15533	2.0
525.16583	1.4
526.17181	9.2
527.16150	3.0
537.18744	1.7
538.14069	2.0
539.18353	1.2
540.19073	1.4
541.20013	0.9
542.22247	0.5
543.20752	0.4
553.19427	1.5
554.19861	0.6
555.18707	1.3
556.19574	0.9
558.21283	1.1
568.19653	0.8
569.20673	2.7
582.20258	0.5
584.21204	0.6
585.22156	5.2
586.22034	1.0
587.21338	1.1
596.21478	2.9
597.20160	1.7
598.19891	0.7
612.21021	6.9
613.21594	5.1
614.22455	2.0
615.21375	0.6
619.24823	0.9
628.24011	3.8
629.22986	1.7
640.20386	2.4
642.23108	1.5
644.23181	0.8
672.23022	100.0
673.23199	14.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.6
55.05513	5.1
57.03181	0.4
57.03439	3.9
57.07078	38.8
60.35021	0.3
60.48330	0.3
61.02928	15.7
63.14589	0.4
67.05505	11.4
69.03429	2.3
69.07073	7.5
69.95975	0.6
69.96310	0.5
71.04988	0.6
71.08633	32.4
73.02919	4.9
73.06565	0.4
75.04476	2.1
79.05497	0.9
81.03376	0.8
81.07057	17.3
83.08131	0.4
83.08624	12.9
85.02910	19.7
85.06528	0.5
85.10184	18.9
89.06026	1.1
91.03957	16.4
93.07011	0.5
95.08608	25.9
96.08953	0.5
97.02333	0.6
97.02895	7.5
97.09609	0.4
97.10175	6.4
99.04429	1.1
99.08080	0.5
99.11706	1.4
103.07574	1.0
103.08389	0.3
109.02858	1.0
109.09423	0.6
109.10160	12.0
111.08038	0.5
111.11697	1.3
113.13194	0.5
115.03889	1.1
117.11290	0.4
121.10136	0.5
123.11700	5.4
125.13219	1.2
127.03912	6.4
137.13254	2.7
139.14745	0.6
145.04964	8.5
151.14809	1.0
163.06027	14.9
165.16406	0.6
179.17979	0.7
221.22571	1.0
239.23683	20.4
240.23900	0.5
257.24725	5.0
313.27365	100.0
314.27628	3.2
329.39297	0.5
331.28421	50.1
332.28745	2.1
465.21930	0.4
536.77563	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	5.1
57.03233	0.5
57.03447	4.7
57.07078	36.4
57.78161	0.6
58.07382	0.5
58.41300	0.5
61.02646	0.7
61.02932	12.1
61.45065	0.4
67.05168	0.5
67.05509	9.9
69.03416	1.5
69.07069	7.2
71.04955	0.6
71.08633	29.2
72.08992	0.5
73.02928	4.3
75.03143	0.5
75.04485	1.4
79.05512	1.4
81.03396	1.2
81.07059	15.5
83.04971	0.6
83.08617	12.3
85.02404	0.8
85.02908	15.1
85.06528	0.6
85.10185	16.6
89.06020	1.4
90.00786	0.4
91.03958	12.5
91.05460	1.0
93.07035	1.5
94.70215	0.5
95.08607	23.0
96.92242	1.1
97.02898	6.5
97.06506	0.6
97.10175	6.5
99.04450	1.2
99.08162	0.6
99.11723	0.8
103.07591	1.1
107.08598	0.9
109.02865	0.7
109.10159	11.8
111.08134	0.7
111.11703	1.4
115.03967	0.9
115.96893	0.5
123.11700	5.7
125.13296	1.5
127.03907	4.7
137.13260	2.4
145.04962	7.1
149.13133	0.5
161.41920	0.5
163.06021	10.1
165.16417	0.6
192.45901	0.7
195.94382	0.5
200.36977	0.5
221.22592	1.2
239.23697	19.9
257.24741	4.1
313.27368	100.0
314.27698	4.1
331.28418	36.7
332.28629	1.4
475.32599	2.2
546.59613	0.5
672.36859	0.6
673.38544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
55.31873	0.1
56.05029	0.6
58.06626	0.4
59.07359	0.1
60.08162	5.9
67.05504	0.7
69.43073	0.3
69.43485	0.1
70.06568	0.2
71.07370	3.4
79.05491	0.3
81.07052	0.2
81.52212	0.1
86.09702	29.3
87.10041	0.2
91.05475	0.3
93.07057	0.2
95.08590	0.3
98.98461	2.9
98.99091	0.2
104.10731	2.1
105.07024	0.2
109.10162	0.3
124.99996	18.8
131.95576	0.1
143.01097	0.2
184.07332	100.0
185.07695	1.1
518.32251	0.1
559.77454	0.1
672.42316	7.0
673.42786	0.5
702.48309	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	672.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.2
56.05028	0.7
58.06320	0.2
58.06630	0.5
59.07374	0.1
60.08163	6.3
63.09070	0.1
67.05503	0.8
69.07063	0.1
69.99337	0.3
71.07373	3.2
79.05492	0.3
81.07055	0.3
83.08612	0.1
86.09705	28.7
87.10027	0.4
91.05503	0.1
93.07024	0.3
95.04938	0.1
95.08609	0.2
98.98461	3.1
98.99093	0.2
104.10743	2.1
104.11386	0.1
105.07059	0.2
107.08585	0.2
109.10145	0.4
110.91595	0.1
119.08614	0.1
121.10157	0.1
125.00002	20.6
126.00336	0.1
131.08490	0.1
143.01036	0.1
174.19225	0.1
184.07336	100.0
185.07686	1.7
199.08754	0.1
224.09465	0.1
225.10159	0.2
225.13927	0.3
227.08159	0.2
227.11967	0.1
235.08806	0.1
237.10153	0.1
238.11047	0.2
239.08112	0.1
239.11856	0.3
240.12677	0.2
241.13268	0.2
251.11673	0.1
253.09833	0.2
253.13344	1.6
281.09470	0.1
309.08704	0.1
313.11652	0.2
359.12518	0.1
374.15082	0.4
388.16586	0.2
389.17401	0.4
400.16589	0.4
404.19727	1.1
412.20972	0.2
432.19098	0.4
435.14713	0.2
437.15793	0.3
451.17828	0.3
460.19180	0.2
465.23462	0.1
467.20886	0.3
475.21262	0.2
477.15237	0.1
481.22144	0.1
492.21341	2.1
493.19217	0.1
495.20129	0.2
503.20749	0.4
507.20132	0.4
511.19870	0.2
519.17560	0.1
521.21924	0.3
525.20172	0.1
531.20361	0.2
539.22852	0.4
549.21002	0.5
553.24280	0.2
555.22015	0.1
563.22742	0.1
581.23883	0.5
585.26123	0.1
591.22668	0.1
609.23309	0.1
613.26514	2.4
622.47534	0.1
623.24829	0.3
641.26044	5.6
655.27856	0.2
672.42310	5.1
673.28491	1.4
673.42084	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12319	1.3
70.06602	1.8
79.05498	1.8
89.03923	14.4
95.05026	1.4
102.04723	1.7
105.03488	1.0
107.04989	4.3
117.03378	13.0
118.06578	1.2
123.04427	20.1
130.04184	3.1
135.04410	27.1
136.05222	6.3
137.02295	1.0
137.06036	2.2
140.05719	3.5
144.79082	1.2
145.02840	20.6
146.03322	1.2
146.06039	3.1
147.04424	5.6
148.05142	7.4
149.06003	2.4
152.07031	1.5
156.04434	1.2
161.05956	1.3
162.05574	2.9
163.03900	100.0
163.06265	3.3
164.04678	19.1
164.06947	7.7
167.08601	1.3
173.36604	1.1
175.04001	1.3
176.04716	5.7
176.07103	1.2
177.05510	6.1
177.07011	2.8
181.06436	1.3
182.04530	3.8
192.06580	2.1
195.08083	2.5
199.07320	3.1
205.06500	13.7
211.07608	1.2
221.06088	1.3
223.07549	13.6
232.07472	1.4
233.05927	10.1
239.07019	1.8
239.81590	1.1
241.08661	1.2
250.08664	6.0
251.07016	25.0
251.09572	1.4
259.80807	1.0
261.05533	1.6
265.15549	1.3
267.06516	2.1
269.08011	11.1
272.09802	2.5
278.08127	5.2
279.06506	47.5
280.07187	1.8
285.07462	7.8
286.10745	6.7
294.08014	1.1
295.04532	3.7
296.09195	11.7
297.07553	28.2
314.10202	70.2
315.10602	3.0
464.11902	42.2
464.18597	1.5
465.12436	5.7
511.11786	20.3
626.14954	11.9
627.15137	2.9
673.15118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02397	0.3
53.03944	0.6
55.01874	0.7
63.02373	0.5
65.03928	0.7
65.55661	0.3
66.16291	0.3
67.01876	1.2
68.01372	0.9
68.05027	0.4
68.12335	0.3
69.34492	0.5
69.34899	0.9
71.16100	0.3
78.03437	0.6
79.04200	0.3
80.05020	7.5
81.03423	1.8
83.01340	1.0
90.03439	0.6
93.03419	0.4
96.04484	1.2
97.02871	0.8
106.02894	0.9
108.04483	4.3
109.02879	0.4
110.03667	2.4
115.64859	0.2
118.02889	0.7
119.03664	0.4
120.41171	0.3
123.04434	2.0
124.03951	2.0
124.05209	0.7
125.04750	1.3
135.04337	0.3
136.02968	0.5
136.03941	6.4
136.05183	9.9
137.02367	0.4
137.03667	0.2
137.04723	6.5
140.03423	2.9
147.03078	0.4
152.03448	0.7
152.04697	0.7
163.03963	0.5
164.03439	5.7
165.04227	3.1
182.04489	100.0
183.04807	1.7
185.72035	0.3
190.59834	0.2
199.07141	71.5
200.07404	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2872
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05020	0.8
57.97622	0.2
58.06621	0.8
60.08167	6.6
61.08479	0.5
63.22393	0.2
67.05499	1.5
71.07374	3.3
72.07675	0.4
79.05455	0.7
81.07021	0.8
86.09709	30.0
87.10038	4.4
91.05456	0.4
93.06979	0.4
95.08614	0.3
98.98470	3.6
104.10753	2.1
108.04529	0.4
109.10122	0.5
117.06999	0.3
117.34200	0.2
125.00005	21.8
126.00336	1.1
134.06026	0.4
184.07344	100.0
185.07700	14.1
187.08691	0.4
195.09160	0.6
196.09946	0.7
197.10712	0.3
199.08664	0.7
209.10712	0.7
210.09541	0.3
210.11452	0.8
211.05177	0.3
211.08711	0.8
211.12231	0.6
212.09372	0.5
223.08742	0.7
223.12355	0.4
224.09454	1.1
225.10283	1.8
225.13843	1.7
226.10895	0.4
227.08200	1.3
227.11815	0.8
235.08649	0.9
237.10258	1.4
238.10931	1.5
238.96049	0.3
239.08145	0.9
239.11778	2.4
240.12579	0.8
241.09694	0.7
241.13365	0.8
251.08174	0.3
251.11806	1.1
252.12646	0.4
253.09937	1.2
253.13353	10.6
254.13751	0.6
255.14844	0.3
263.08099	0.4
265.09729	0.4
265.13248	0.5
267.07684	0.5
267.11005	0.5
268.08191	0.3
269.09360	0.4
281.09155	1.3
283.10883	0.3
285.08771	0.3
302.09381	0.3
309.08694	0.9
313.11902	1.0
314.09369	0.3
314.12866	0.5
316.11072	0.3
328.10834	0.4
328.14471	0.4
329.15161	0.4
330.12296	0.6
330.15787	0.5
342.12299	0.6
343.13406	0.3
346.11679	0.3
346.15454	0.3
356.13959	0.7
358.11783	0.4
360.13162	0.4
372.13074	0.6
372.17084	1.1
373.14212	0.3
374.14917	2.2
375.15372	0.3
384.13779	0.3
388.16641	1.5
389.17322	2.0
390.11502	0.3
395.15094	0.4
400.16696	3.0
404.19687	7.3
405.20569	0.4
407.15585	0.4
409.16934	0.5
410.17645	0.3
416.16226	0.5
419.14951	0.3
420.17029	0.3
421.13028	0.8
422.13657	0.7
423.18582	0.7
431.18570	0.5
432.19458	2.4
433.18396	0.4
435.14087	1.2
436.15375	0.9
437.15720	1.7
445.16614	0.4
447.18463	0.3
449.15952	1.0
450.17038	0.3
451.17557	2.2
452.18433	0.5
460.19196	1.2
461.20596	0.3
465.18726	0.3
465.23624	0.4
466.19995	0.6
467.20908	1.6
469.17172	0.3
473.16272	0.4
474.16782	0.5
475.21606	0.6
476.19620	0.3
477.15710	0.8
479.16849	0.5
481.22186	0.9
490.19669	0.7
491.16769	0.6
492.21445	12.6
493.22995	2.4
494.19229	0.3
495.20529	0.4
497.18652	0.4
503.20834	1.7
504.20364	0.5
505.22516	0.3
506.20416	0.8
507.20428	2.5
509.18259	0.4
511.19916	1.1
519.16797	0.5
521.21906	2.3
522.21936	0.6
525.21259	1.0
526.22113	0.4
531.20361	0.9
537.25177	0.5
539.23303	2.2
549.21350	3.3
550.21698	0.6
553.24951	1.6
555.22064	0.5
563.22919	0.8
565.24255	0.3
580.24194	0.4
581.24023	4.3
582.24445	0.6
585.27295	0.6
591.22748	1.0
609.23395	0.6
613.26587	15.4
614.26843	1.6
619.25586	0.5
623.24805	2.3
641.26062	34.4
642.26428	4.1
655.27606	1.4
672.42114	0.6
673.28607	8.0
673.42358	5.0
674.29181	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45783	2.9
55.05521	4.5
55.63312	3.4
56.98921	3.3
67.05515	9.1
71.08655	4.1
79.05487	4.7
81.07061	8.7
86.09708	11.7
89.06033	4.0
91.05479	3.8
95.04948	4.0
95.08621	10.1
97.64336	3.6
98.22689	8.2
105.07032	6.9
119.08533	4.5
125.00021	5.0
128.77327	3.4
135.11697	4.6
154.70192	3.4
154.71454	3.4
159.09183	8.9
170.56308	3.3
184.07298	19.2
195.09055	4.3
225.13942	9.0
226.14560	4.9
232.09645	3.5
237.13989	8.6
238.14624	12.3
249.13905	4.4
253.17081	4.9
276.15015	4.1
297.81396	4.4
315.17313	3.8
326.16574	5.2
379.19098	5.5
395.18692	4.9
403.22479	4.1
406.17719	6.5
407.18552	4.0
409.20227	4.8
421.20374	5.8
422.20770	6.8
423.21915	10.7
425.19696	4.8
437.23431	4.2
438.20270	4.9
440.21973	5.3
448.19006	10.8
449.19177	6.7
453.23367	3.8
461.23569	6.4
464.22330	4.8
468.24838	3.6
469.22687	4.1
480.21704	17.4
493.22275	3.8
509.25159	5.7
510.25165	4.4
551.26868	7.4
554.24310	6.7
567.25598	5.4
569.27148	11.2
577.24603	5.0
583.28979	5.4
587.27612	4.6
594.24573	11.9
595.25427	92.1
596.25568	9.3
597.26990	9.1
601.30219	8.8
605.23676	8.4
609.27130	54.5
610.26923	5.4
611.28705	22.1
612.26593	14.6
613.26581	8.2
614.26813	5.2
623.24866	9.2
629.29626	89.5
630.29510	10.1
631.27264	10.1
637.26154	18.5
655.27594	20.7
656.31989	4.5
673.28748	100.0
673.41010	10.3
674.28418	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	673.3408
Annotation	(-)-Flexicorine
Peak:m/z	Relative Intensity
62.72074	0.2
64.04029	0.3
67.05508	0.3
79.05471	0.4
81.07053	0.4
86.09699	0.3
98.23531	0.6
109.06467	0.4
121.79567	0.3
148.64888	0.3
150.19681	0.3
184.07385	0.8
185.04198	0.6
203.05330	0.3
229.07472	0.3
243.11301	0.5
259.08008	0.5
285.12488	0.7
347.09451	1.6
353.16449	0.8
369.20218	0.4
371.17136	0.3
375.71671	0.3
384.41339	0.3
435.25223	0.4
464.90741	0.3
511.28778	29.0
512.29077	1.5
655.39886	0.5
673.33777	100.0
674.34229	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	674.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82871	0.8
52.71597	1.1
65.03931	1.5
66.00043	0.8
70.01379	1.9
70.01726	1.2
70.06577	1.0
86.09712	2.0
87.37093	1.1
88.07629	2.2
104.07137	1.2
105.07027	1.0
125.00053	1.0
148.05112	1.2
149.02341	54.7
149.03426	3.2
155.84477	0.9
161.08833	1.2
175.03932	2.2
177.05481	1.1
184.07367	6.5
193.04961	69.3
194.05295	2.0
196.49237	1.0
219.06516	2.5
237.07561	22.9
242.24678	1.2
269.04446	1.9
278.22522	1.0
283.95248	0.9
297.03931	4.3
313.06973	4.2
341.06503	18.1
351.07553	0.9
359.07642	12.8
385.09149	35.7
386.09259	1.7
406.28848	1.1
429.11807	100.0
430.12350	5.4
486.27167	1.3
598.38129	1.1
674.34991	47.6
675.24622	1.3
675.35638	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	674.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.3
56.05037	0.6
57.09834	0.1
58.06623	0.4
60.08165	5.5
67.05504	0.8
69.07038	0.1
69.76392	0.4
71.07379	2.8
79.05461	0.2
81.07042	0.4
86.09707	26.9
87.10059	0.3
91.05489	0.2
93.06992	0.1
93.25772	0.1
95.08610	0.3
98.98470	2.7
104.10737	1.9
107.08602	0.1
109.10149	0.3
125.00004	19.1
143.01097	0.1
166.02707	0.1
184.07341	100.0
185.07716	1.3
193.35841	0.1
221.32780	0.1
412.21051	0.2
447.12143	0.1
674.43909	5.6
675.44635	0.8
691.79932	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	674.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05527	0.1
56.05045	0.9
58.06595	0.3
60.08163	6.8
67.05502	0.8
69.07055	0.2
69.23919	0.7
71.07018	0.2
71.07375	3.6
79.05490	0.2
81.07060	0.5
86.09705	31.3
87.10004	0.4
92.07941	0.1
93.07036	0.2
95.08616	0.3
98.98460	3.0
104.10746	2.1
109.10136	0.3
118.51154	0.2
119.08584	0.2
125.00002	21.5
170.29070	0.2
184.07338	100.0
185.07718	1.3
205.89455	0.2
284.94452	0.1
420.79636	0.2
520.33844	0.2
674.43927	6.9
675.44232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15029	1.4
55.01875	3.4
55.05510	51.7
57.03434	14.6
57.07072	3.2
60.08152	2.9
61.02933	2.3
64.90069	1.4
65.03926	1.9
67.05504	55.9
67.05868	2.9
69.03440	3.5
69.07063	20.9
71.07359	1.8
71.08644	1.7
71.46439	1.4
75.55935	1.3
77.67113	1.3
79.05494	50.4
81.07056	60.2
83.04982	4.6
83.08617	22.7
85.02895	2.0
85.06525	2.4
86.09711	13.6
87.10024	2.8
91.05476	19.4
93.07045	39.2
95.04961	5.4
95.08605	40.5
97.06522	3.5
97.09595	3.1
97.10172	39.7
98.02311	1.4
98.98449	2.0
99.08086	1.3
101.06023	1.6
105.04505	1.6
105.07032	13.3
107.08593	35.7
109.10146	22.8
117.07022	5.0
119.08574	11.6
121.10140	24.2
123.08032	1.8
123.11707	9.6
124.99975	11.2
125.09622	24.0
131.08542	10.3
133.10129	8.9
135.11674	17.2
137.13254	4.4
143.10664	5.5
145.10094	8.4
147.11703	8.3
149.13248	12.3
159.11688	7.7
161.13246	5.9
163.11287	1.5
163.14885	8.1
163.16005	1.6
173.13257	7.4
175.14781	3.6
177.12691	1.6
177.16399	2.0
184.07338	44.9
185.07687	6.6
186.07742	2.8
187.14813	4.8
199.13251	2.2
215.12796	5.9
217.14348	100.0
218.14793	2.5
233.22757	1.3
243.21066	13.5
259.20618	1.7
261.22107	38.3
262.22485	1.9
269.17972	1.6
317.24844	3.5
335.25793	69.7
336.26135	4.2
337.27429	5.6
353.26727	13.9
381.55377	1.7
385.30978	3.5
403.32162	10.3
459.34564	1.9
477.35764	60.4
478.36218	3.4
481.21503	1.7
485.24936	1.6
495.36719	4.4
614.26575	1.9
642.25781	4.7
674.27991	6.4
674.41650	4.9
675.25769	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.3
55.05511	46.2
57.03437	12.4
57.07068	2.8
59.05036	1.2
60.08179	2.2
61.02930	1.7
65.03938	2.2
67.05504	56.8
67.05865	2.9
69.03423	3.0
69.07066	18.1
69.21606	5.7
70.86774	1.1
71.04981	2.3
71.07394	1.5
79.05490	40.1
81.07054	60.2
82.07377	1.4
83.04987	4.7
83.08618	22.0
85.02871	1.9
85.06535	1.5
86.09716	14.9
87.10033	2.4
87.37305	1.2
91.05475	15.2
93.06445	1.9
93.07042	34.9
93.07603	2.3
95.05009	2.3
95.08601	42.1
97.06526	2.6
97.10168	38.0
98.98485	2.0
99.08102	1.8
101.09645	1.2
105.04520	1.4
105.07027	14.1
107.08588	39.2
109.06554	2.1
109.10151	20.5
117.07020	5.1
118.99711	1.2
119.08559	8.4
121.10143	21.1
121.10978	1.5
123.11709	7.9
124.11296	1.3
124.99995	8.6
125.09634	25.1
131.08569	11.9
133.10129	8.8
135.11702	14.0
137.09564	1.4
137.13269	3.4
139.15881	1.2
143.10690	5.9
145.10146	8.3
147.11638	6.1
149.13263	11.1
149.86453	1.5
151.11211	1.2
159.11702	7.3
161.13281	6.6
163.14774	6.3
171.11671	1.5
173.13255	7.9
175.14754	2.1
177.16351	1.2
179.14375	1.3
181.76398	1.2
184.07335	42.7
184.08870	2.4
185.07671	7.1
186.07898	2.1
187.14850	5.4
199.13351	4.0
215.12660	6.5
217.14342	100.0
218.14751	2.8
224.57297	1.2
243.21045	13.4
261.22141	38.5
262.22589	2.5
317.24936	2.7
335.25790	72.2
336.26099	3.5
337.27313	5.8
353.26801	14.6
385.31360	1.4
403.31964	12.3
477.35736	57.2
477.42593	2.8
478.35907	4.2
495.36902	6.0
533.38330	1.6
614.27271	1.9
642.26581	5.9
674.28204	5.9
674.42004	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	674.505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.7
55.05515	10.6
57.03430	1.8
57.07078	33.1
59.04995	1.2
64.97070	0.5
67.05508	8.9
69.03454	0.7
69.07076	4.5
70.01696	0.9
71.05035	0.6
71.08634	25.6
73.02941	1.0
73.06558	10.4
79.05494	8.2
81.07060	10.6
83.04984	0.7
83.08620	5.3
85.02926	0.9
85.10181	19.7
86.09715	1.2
87.04467	9.2
89.06033	100.0
90.06373	1.1
91.05469	2.9
93.07043	5.8
95.08606	7.1
95.64840	0.6
97.10171	9.8
97.10754	1.0
99.11733	4.3
105.07031	3.4
107.04951	0.6
107.07069	1.6
107.08575	5.6
109.06607	0.6
109.10151	2.7
111.11746	1.2
113.13264	1.4
114.33772	0.5
117.07022	1.2
117.09130	9.0
119.08572	2.0
121.10120	3.3
123.11717	1.4
124.99976	0.8
125.09624	2.9
130.08664	2.2
131.07051	2.4
131.08598	1.8
133.08607	51.5
133.10181	2.1
134.08931	0.7
134.21365	0.5
135.10155	1.0
135.11697	2.0
143.10735	0.8
145.10152	1.7
147.11751	1.1
149.13245	1.1
151.27753	0.7
155.17957	4.5
159.11679	1.3
161.11758	2.5
161.13034	0.5
163.14801	0.6
173.13240	0.7
175.09669	1.9
175.14836	0.6
177.11224	21.8
184.07359	3.8
185.07713	0.9
199.20590	3.9
215.12758	1.0
217.14349	11.5
218.14604	0.6
221.13835	6.2
223.15369	0.7
239.14873	0.9
239.81834	0.6
240.23247	1.5
243.20993	0.7
243.23216	9.9
261.22180	5.3
265.16376	1.7
275.20044	0.7
283.17545	1.9
287.25781	6.7
309.19104	1.5
327.20102	1.3
335.25839	13.0
336.26190	0.7
337.27216	1.2
353.21979	0.9
371.22424	1.0
403.32199	1.9
453.35461	0.6
477.29404	0.8
477.35770	10.4
478.36340	1.4
492.85107	0.6
495.37140	0.7
503.30615	2.0
550.21710	0.6
642.26086	2.2
652.69330	0.6
657.38428	0.8
657.47766	6.8
674.40479	0.9
674.50616	5.9
675.51025	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86372	0.9
67.05495	1.7
70.10477	1.9
71.08614	1.1
79.05486	2.1
81.07048	2.4
85.02917	1.1
85.10149	1.1
86.09689	2.2
87.04462	4.1
91.05492	2.0
95.04978	1.2
95.08609	1.0
98.91949	3.3
105.07013	2.0
109.10133	1.1
115.31692	0.9
119.08564	1.0
120.71523	1.0
138.73210	0.8
149.02313	3.4
149.03459	1.1
184.07341	5.2
193.04991	2.1
314.27643	1.1
370.10941	1.7
370.45651	1.0
384.12088	2.9
385.12936	13.9
386.13629	4.4
397.13428	1.8
398.13681	5.8
399.14493	23.1
400.15295	56.5
401.15585	6.0
410.13403	1.2
411.14420	1.8
412.15292	8.6
413.16104	15.5
414.16833	19.9
415.17139	2.8
416.14648	1.1
420.47620	1.0
424.15469	1.1
425.16248	1.7
426.16861	2.9
427.18051	10.5
428.18558	16.0
429.19260	42.8
430.19568	4.2
441.15427	3.2
442.16385	4.3
443.13089	4.5
444.14249	11.8
447.20425	1.3
455.17224	13.8
456.17700	7.0
457.14972	4.9
457.19156	1.3
458.15460	4.2
459.16714	3.1
472.17410	6.1
473.18134	22.9
481.14871	1.9
483.16577	12.0
487.15909	4.2
491.19739	1.3
497.17746	1.8
499.15887	2.0
501.17386	13.3
502.18399	4.1
512.20593	1.6
516.23755	8.0
517.23114	1.2
523.16144	1.7
527.15680	3.3
538.17627	1.0
539.19177	9.9
540.19336	6.4
543.22418	6.9
544.23199	33.5
545.23077	3.3
555.18585	3.9
559.21490	1.9
560.22742	12.2
570.20490	2.6
571.21918	39.0
572.22174	17.0
573.20020	3.0
575.24847	4.6
585.23792	1.4
587.21448	7.5
588.22156	100.0
589.22430	12.1
598.20184	1.2
601.22540	2.5
603.24274	7.2
615.20990	8.2
616.21136	8.1
619.23853	5.8
629.22321	15.2
630.22455	1.2
631.14313	1.1
631.24042	9.8
632.23621	1.2
647.23615	6.7
657.21930	10.8
675.09985	4.7
675.22760	15.8
675.34698	1.5
675.39728	1.9
676.23096	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	675.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.2
67.05508	3.2
81.07057	3.2
86.09714	8.5
91.05468	1.7
94.21757	1.3
95.08620	3.4
98.23459	4.9
98.98439	1.4
105.07015	1.8
107.08604	1.4
109.10185	1.3
112.64043	1.2
116.06742	1.1
125.00029	5.6
158.53317	1.3
184.07338	28.6
185.07750	1.8
237.88339	1.1
399.14566	4.1
411.14206	1.5
412.15207	4.0
413.16040	16.5
414.17099	17.6
415.17850	3.3
426.16885	5.4
427.17703	14.3
428.18457	22.2
430.16678	1.9
432.18921	2.7
433.19623	1.8
440.18744	2.1
441.19482	14.9
442.19836	26.7
443.20737	6.7
455.16531	1.9
460.65234	1.3
468.17874	1.1
469.18726	27.9
470.18964	14.8
471.17191	1.7
472.17236	3.3
473.18036	3.7
474.18991	1.3
485.13760	1.3
495.16138	1.6
499.15482	1.3
501.21234	2.2
505.18378	1.4
509.17953	1.9
513.17712	19.2
514.17841	14.6
515.17865	1.8
525.20856	6.0
534.38330	2.3
541.21021	1.8
557.23981	100.0
558.24274	9.1
588.25800	25.5
589.26135	1.7
597.25604	1.7
600.21936	1.5
601.22638	3.7
615.24518	14.4
616.24719	55.9
617.24823	5.2
631.28705	2.7
632.16003	1.2
643.24023	49.3
644.23822	4.8
645.26666	1.4
657.28705	2.0
675.26642	15.0
675.42609	3.8
676.26123	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08502	0.3
54.38952	0.3
70.20270	0.6
81.97855	0.3
85.70067	0.3
85.75385	0.3
90.69948	0.3
97.82569	0.3
105.85839	0.3
156.89764	0.3
171.12227	0.3
220.91405	0.3
281.29434	0.3
307.81302	0.3
413.16187	0.4
414.17456	0.4
429.15955	0.4
443.17166	0.5
445.18933	0.5
453.15637	0.6
454.17044	0.9
455.12943	0.5
457.14856	0.7
467.13229	0.8
467.17780	0.6
468.13443	1.8
469.14725	5.8
470.09744	0.3
470.15250	2.0
471.16748	1.9
472.17670	0.8
479.17728	0.5
480.13928	0.7
481.14792	2.6
482.15872	9.1
483.16672	9.4
484.17413	1.7
485.18451	1.8
487.15787	0.4
495.16690	5.0
496.06171	0.4
496.17465	6.4
497.18204	32.2
498.18954	4.6
499.19385	1.0
500.17126	0.5
510.19312	1.8
511.19760	4.1
512.20514	1.2
513.18005	0.8
515.19379	1.6
527.16437	0.5
528.16589	1.3
529.17078	0.7
538.19928	0.5
538.39056	0.3
541.17682	0.8
542.18060	2.1
545.20001	0.3
555.18561	4.7
556.19446	3.0
557.19977	2.8
569.20630	1.1
573.22723	0.9
583.21393	0.4
616.21600	1.3
617.22424	1.0
629.22833	0.6
643.23907	7.3
644.24738	5.9
645.23987	1.8
657.25488	5.7
658.25842	0.6
660.24445	1.9
675.26599	100.0
676.26825	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
70.70380	0.2
82.47750	0.1
107.41405	0.1
179.75914	0.1
211.21625	0.1
219.78261	0.1
294.39554	0.1
294.42990	0.1
306.08563	0.1
399.14584	0.2
400.15637	0.4
403.18085	0.2
412.15314	0.3
413.16156	0.8
414.17084	0.3
415.18112	0.3
416.14355	0.3
425.16251	0.2
426.17038	0.4
427.17856	0.5
428.18588	0.5
429.14932	0.9
430.16339	1.1
431.16507	0.2
439.13907	0.3
440.14508	0.5
440.19189	0.4
441.20370	1.2
442.15994	0.7
443.17361	1.4
444.18057	1.5
445.18732	2.5
452.15161	0.2
453.15817	0.6
454.16431	0.8
455.13074	0.5
455.17557	0.6
456.13983	0.7
456.18384	0.7
457.14948	1.6
457.19412	1.1
458.19476	0.5
459.16507	0.4
467.12958	0.6
467.17319	1.3
468.14090	0.8
468.18515	0.5
469.15268	2.1
469.19550	0.5
470.15115	1.5
471.16400	3.5
472.17349	1.5
473.18207	0.4
475.19626	0.3
480.14114	1.6
481.14606	2.6
482.15826	2.6
483.16632	4.2
484.17688	1.4
485.18445	4.5
486.18900	0.4
487.15851	0.2
493.15009	0.2
494.16290	0.6
495.09232	0.2
495.16690	10.4
496.17432	5.8
497.18231	10.6
498.19354	1.8
499.19650	1.0
500.16782	0.8
502.18500	0.5
503.19339	0.4
509.18274	0.3
510.19305	0.7
511.19962	1.0
513.17535	1.9
514.18451	0.5
515.20105	0.8
516.20044	0.2
517.20520	0.2
523.16345	0.2
525.17749	0.2
527.19409	0.8
528.16888	0.5
529.21716	1.0
530.21472	0.3
531.19153	0.5
536.19653	0.3
538.19165	0.2
539.19604	0.2
541.17114	0.4
542.18018	0.7
543.22607	0.3
544.16223	0.2
545.23590	0.4
555.18665	11.9
556.18805	1.2
557.20166	1.1
558.20831	0.2
569.20569	0.4
573.23926	3.5
574.21228	0.2
583.21881	1.2
584.22198	0.3
585.23718	0.9
596.21460	0.2
597.21808	0.2
601.22717	0.7
616.22620	0.4
617.22345	3.2
618.22845	0.2
627.20721	0.7
628.21582	0.2
629.22479	0.3
630.22687	0.2
643.24005	5.0
644.24707	1.2
645.22009	2.9
646.23157	0.3
657.25592	0.8
660.24329	6.0
661.24622	0.6
675.26605	100.0
676.26831	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	675.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29179	0.5
51.57389	0.5
78.74097	0.6
81.07064	0.7
89.76323	0.5
91.99366	0.6
92.89766	0.5
95.08580	0.6
104.10748	1.2
147.20369	0.5
184.07378	0.9
193.04945	1.2
203.05368	1.1
238.71016	0.6
259.07822	0.9
345.30014	0.6
347.09604	1.5
347.21283	0.6
365.10745	2.4
386.09451	0.7
421.13205	1.2
430.12341	1.1
513.30383	21.3
514.30676	1.7
596.83325	0.6
601.11414	0.6
619.21008	0.6
630.82605	0.6
675.35596	100.0
676.35852	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	675.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.2
55.05511	3.8
55.47799	1.8
61.02924	6.5
63.47794	1.6
67.05500	7.6
69.03430	18.2
69.07071	38.8
70.06580	2.0
71.47066	1.9
72.08176	2.7
73.06558	6.0
79.05503	4.5
81.03420	6.5
81.07068	6.1
85.02905	33.9
85.30105	1.5
87.04464	2.6
91.05492	9.9
93.07050	6.2
94.55405	1.8
95.04969	11.4
95.08611	1.6
97.02894	13.8
97.06530	11.9
99.04446	2.7
105.07025	16.2
107.04961	4.5
107.08596	3.4
109.02875	4.1
109.06521	18.3
109.10135	4.0
113.05976	4.0
115.07558	19.7
117.07034	2.1
119.08576	7.4
120.06605	1.8
121.06492	3.8
121.10138	5.4
123.04410	5.1
125.06017	4.9
125.09598	1.9
127.03903	5.8
128.06253	1.8
129.07037	4.4
131.08569	19.5
133.10135	14.1
135.04434	3.2
135.11768	1.8
137.05962	1.8
141.05476	5.9
143.08545	14.1
145.05002	5.1
145.06454	5.0
145.10132	23.3
147.08058	3.6
147.11708	12.8
149.05907	1.8
151.03911	5.4
155.08594	5.8
157.10106	4.3
159.08032	5.5
159.11687	3.9
161.09618	45.9
163.11229	2.0
167.10674	17.8
169.04959	2.6
169.10152	4.3
171.11676	5.9
173.09636	37.3
174.10405	26.5
175.07535	1.9
175.11171	17.1
179.08612	2.2
180.09375	2.3
181.10152	4.8
183.11714	6.2
185.09650	2.4
185.13254	45.9
186.13797	2.0
191.10619	3.1
193.10301	2.5
195.08078	2.1
195.11693	5.1
196.12413	2.4
197.09630	2.4
197.13258	6.7
199.11229	4.5
199.14867	4.8
207.11731	2.3
209.09712	2.3
209.13235	5.8
210.10519	1.8
211.14738	2.2
213.12726	22.6
218.10876	3.7
223.11197	4.2
223.14821	9.3
225.12782	5.2
227.14319	9.9
233.13329	5.4
237.12773	6.6
238.13487	3.1
239.14256	5.6
241.15947	6.0
243.17419	4.5
251.14313	15.9
255.13786	45.4
269.15396	11.7
279.13852	10.4
297.14877	35.0
298.15115	3.2
309.18451	4.3
315.15903	54.0
316.16443	2.9
317.17612	2.6
327.19559	5.3
333.16962	61.0
334.17188	2.4
345.20718	2.8
351.18042	36.5
352.18484	2.2
357.24417	3.3
365.24463	2.0
369.18994	14.4
380.21841	1.9
383.25720	4.2
394.15662	1.9
423.25159	6.5
441.26312	14.6
459.27350	30.2
460.27509	2.0
477.28458	19.5
495.29309	6.5
513.30603	100.0
514.30896	7.3
639.33423	2.0
650.80115	2.0
675.24438	3.0
675.35687	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99990	0.7
55.01867	2.2
55.05508	1.1
57.03438	2.6
61.02924	2.3
67.05531	1.1
68.82880	0.6
69.03436	6.8
69.07071	0.6
69.32229	3.2
73.02921	11.9
79.05498	2.5
81.03410	0.9
81.07047	5.7
81.49207	0.5
83.04987	0.9
85.02906	13.8
86.60606	0.6
87.04478	1.1
89.57557	0.6
91.03959	1.2
91.05476	3.5
93.07051	8.5
95.04983	3.1
95.08611	5.5
97.02895	12.5
98.23519	1.1
105.07028	8.3
107.04990	1.0
107.08597	5.1
109.06516	2.9
109.10166	1.8
115.03919	4.5
117.07035	0.7
119.04935	2.4
119.08578	12.8
121.06496	2.6
121.10117	3.6
123.04436	1.8
123.08110	1.3
125.06003	2.7
127.03928	3.6
128.06136	0.6
129.06989	1.1
131.08553	3.0
133.04970	3.5
133.10124	3.9
135.08043	2.2
137.05984	1.7
137.09642	0.8
143.08545	2.1
144.06570	0.9
145.04965	4.0
145.10136	9.4
147.08057	1.2
147.11710	2.2
149.09460	0.8
149.13232	0.8
151.07649	0.7
155.08536	1.9
157.10144	6.0
159.08073	0.9
159.11703	2.6
161.09647	1.6
161.13281	0.8
163.06088	1.1
163.07556	1.8
163.11081	1.5
164.08357	2.0
165.09138	1.9
167.08528	0.7
169.10124	3.4
171.07990	0.7
171.11681	2.0
173.09645	2.0
175.11113	1.6
180.08618	0.8
181.08594	1.9
181.10078	1.0
183.11697	2.3
185.09634	1.4
185.13338	1.1
187.11151	1.0
189.09108	0.7
191.10681	1.4
195.11722	2.8
197.13286	2.4
199.05862	0.7
199.11143	0.7
199.14813	1.4
201.12729	0.6
203.10599	0.9
203.14247	0.9
209.13272	5.1
211.11220	0.7
211.14821	3.6
213.12776	1.2
213.16403	0.9
223.06094	1.2
227.14307	4.0
227.17953	2.4
231.13820	2.3
235.09703	1.2
237.12781	2.1
237.16382	4.7
239.17955	5.9
241.12273	1.0
247.14848	1.4
255.13812	3.9
255.17471	10.8
257.15308	0.6
257.18967	5.9
259.08096	1.4
265.15970	3.1
267.17480	0.7
273.14908	2.3
273.18518	11.4
283.13416	2.7
283.16879	18.8
284.17157	0.9
285.18497	1.5
291.12888	0.7
293.15448	1.5
294.11887	1.6
301.14584	1.0
301.18002	17.0
302.18359	0.9
311.16364	8.3
312.12933	1.2
319.18970	2.1
329.17456	38.9
330.17865	1.3
347.18533	100.0
348.18860	5.2
365.19562	14.0
373.80609	0.7
461.21219	0.8
573.46082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22248	0.6
51.05769	0.5
51.47218	0.4
53.03947	0.7
55.05521	1.7
57.03434	0.7
61.02920	0.6
67.05495	2.9
69.03421	1.8
69.07068	2.4
69.90414	0.5
71.04994	2.0
71.47438	0.6
77.78732	0.5
79.05491	3.6
81.03404	0.8
81.07053	10.2
83.08598	0.7
85.02905	7.8
85.06541	13.5
91.03957	0.7
91.05493	1.4
93.07049	5.0
95.08605	7.4
97.02881	2.2
97.06480	0.7
97.10165	1.4
99.04465	0.7
100.22041	0.4
105.07030	6.7
107.04937	0.7
107.08604	9.3
109.06571	1.1
109.10150	5.9
111.11760	0.6
113.06001	0.7
119.08586	6.3
121.10158	5.2
123.08035	1.2
123.11714	1.7
125.05995	3.3
127.03928	1.6
127.07543	4.7
131.08522	1.0
133.10138	6.2
135.11670	2.5
137.13239	0.5
139.11201	0.5
145.04970	3.3
145.10126	2.2
147.08049	0.7
147.11670	6.0
149.13264	7.1
157.10123	0.8
159.11714	2.8
161.09659	1.3
161.13261	3.2
163.06073	1.0
163.14763	2.6
167.10635	0.7
171.11734	0.6
173.13280	2.3
175.11162	1.1
175.14825	2.9
176.15594	0.5
179.10654	1.2
180.08766	0.7
181.12271	0.8
183.11743	0.6
185.13303	0.5
187.14839	1.0
189.16458	1.0
193.12280	1.2
195.13704	0.7
201.12796	0.9
201.16533	0.5
203.14226	0.6
219.13771	0.7
221.15544	0.6
227.18024	1.0
229.15994	0.9
229.19514	8.6
233.15401	0.6
253.19475	1.3
271.20660	2.9
289.21594	10.2
299.20117	1.7
317.21106	100.0
318.21399	4.5
425.13770	0.6
538.10431	0.7
600.75342	0.5
685.76221	0.6
686.08478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.6
55.05514	3.2
56.13880	0.5
57.03426	1.1
57.07064	0.8
61.02911	2.0
62.16902	0.5
65.03960	0.5
67.05506	5.2
67.49043	0.4
69.03427	4.8
69.07069	9.6
70.33215	0.4
70.38012	1.0
70.79589	0.4
71.04980	0.5
79.05499	10.3
81.03406	1.8
81.07057	15.0
83.08598	3.3
85.02904	19.7
85.58997	0.5
87.04434	0.6
88.42412	0.5
91.03949	0.9
91.05474	3.6
93.07049	9.7
95.04946	1.5
95.08607	20.9
96.08944	0.5
97.02884	6.3
97.06519	2.7
97.10183	3.1
97.88174	0.5
98.22607	0.5
99.04464	0.9
103.05460	0.5
105.07027	20.9
106.07386	0.8
107.04942	1.7
107.08591	18.2
108.08984	0.6
109.02872	1.7
109.06496	1.3
109.10159	15.7
111.08104	0.5
111.11710	2.3
117.07027	1.5
119.02317	0.5
119.08580	16.1
121.06590	0.6
121.10143	18.4
123.08030	1.2
123.11723	4.6
125.05994	13.7
125.09684	0.9
126.06386	0.5
127.03911	5.8
127.90151	0.5
131.08568	5.3
133.06383	0.8
133.10124	10.8
135.11693	9.3
137.05963	2.1
137.09625	1.0
137.13272	2.2
139.07588	0.9
139.11201	0.6
140.97928	0.4
141.09074	1.3
143.08562	1.6
145.04956	7.5
145.10123	11.1
147.08051	1.6
147.11679	10.4
149.09619	0.7
149.13254	8.4
151.07501	1.9
153.09041	0.6
153.44083	0.5
155.08566	0.7
155.10657	1.4
157.10106	3.0
159.11702	7.8
161.09636	3.0
161.13251	6.2
163.06041	3.7
163.14833	1.8
165.09087	0.9
167.10674	0.7
169.10098	0.8
171.11714	2.4
173.09625	1.4
173.13266	8.0
174.13597	0.5
175.11226	3.5
175.14766	3.6
177.09076	1.0
177.16405	2.2
179.10646	1.7
180.08734	1.1
180.92969	0.5
181.04782	0.5
183.11691	2.2
185.13335	1.3
187.11243	1.3
187.14795	5.0
189.12788	0.8
189.16374	11.3
191.10669	1.8
193.12291	3.5
197.13277	3.0
199.14722	0.8
201.12721	2.1
201.16411	2.0
203.10626	0.7
203.14282	1.1
205.12172	1.3
207.13841	3.7
209.15410	0.7
211.14806	1.6
213.16364	0.7
215.14328	1.3
216.41278	0.5
219.13742	3.0
221.15388	1.1
221.84683	0.5
227.17967	2.1
229.12263	0.5
229.19490	4.0
233.15381	1.4
243.21082	14.6
253.19489	6.5
271.17645	0.9
271.20541	13.7
272.20764	1.0
281.18884	0.7
289.21619	26.0
290.21921	1.4
299.20041	4.1
317.21103	100.0
318.21451	4.6
325.11380	1.0
335.22159	34.9
336.22528	1.4
387.49088	0.6
397.14355	0.5
443.24384	2.8
461.25381	5.4
479.26337	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05025	0.7
58.06345	0.2
58.06597	0.3
60.07871	0.4
60.08162	5.6
67.05499	0.7
70.06550	0.2
71.07371	3.4
72.98273	0.2
79.05485	0.4
80.97423	0.2
81.07042	0.5
86.09703	28.3
87.10048	0.3
95.08598	0.5
98.98466	3.0
104.10735	2.2
109.10125	0.4
119.08568	0.2
125.00000	20.3
143.01031	0.3
153.91301	0.2
153.98494	0.2
164.85289	0.2
184.07336	100.0
185.07712	1.0
207.16977	0.2
288.73627	0.2
335.25571	0.2
676.45477	9.7
677.45435	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41076	12.2
55.05501	18.2
67.05505	60.4
69.07057	28.3
72.42436	12.2
79.05495	56.6
81.07049	55.3
83.08608	18.8
84.04166	12.1
85.02894	16.7
91.05501	35.2
93.07052	64.5
95.04977	22.3
95.08614	37.1
105.07024	22.9
107.04944	18.2
107.08598	21.5
112.22160	13.5
119.08575	20.1
121.06528	24.7
121.10168	46.8
125.09615	13.8
133.06386	12.0
147.11658	16.7
159.08087	26.7
202.76219	14.3
233.15297	31.1
289.17972	48.7
307.19073	19.4
335.25800	100.0
363.21771	20.2
641.44458	23.7
676.26410	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	677.2457
Annotation	Granatumin F
Peak:m/z	Relative Intensity
62.74101	0.5
68.53562	0.6
69.65002	2.2
74.64301	0.6
90.65769	0.5
153.16801	0.6
176.80350	0.7
206.99847	0.6
374.14420	0.8
376.15289	0.7
386.14804	0.9
388.15417	1.8
389.16309	1.8
395.83496	0.7
399.14581	1.0
402.17245	1.0
403.17966	1.1
404.18652	1.6
405.17075	0.9
406.17926	0.8
407.17145	0.8
408.19263	0.7
413.16275	0.9
414.17068	0.9
416.14841	1.6
417.15610	3.6
421.18851	1.5
428.15164	1.2
429.15607	6.0
430.16547	2.6
431.17862	4.0
432.18182	2.5
442.16675	3.3
443.17288	4.2
444.18216	6.9
445.18866	2.4
455.13736	2.3
456.14154	2.0
457.18716	1.9
458.19815	1.0
459.16354	3.0
460.13422	0.9
461.18430	1.0
465.15482	0.7
469.15112	0.6
470.15952	18.9
471.16086	3.8
472.13605	1.3
473.19171	1.0
475.19913	1.6
483.12683	1.1
484.13977	2.0
486.15356	1.4
487.16129	5.2
488.16675	1.5
490.22296	2.7
497.13864	9.7
498.14807	3.7
499.16360	2.5
501.17798	2.7
502.18549	26.8
503.19025	2.4
511.16467	2.0
512.16638	0.9
513.17871	4.8
515.15332	6.9
516.16797	2.2
518.21686	3.9
521.18164	1.2
523.16687	4.5
524.17126	1.0
525.17639	3.4
527.19592	0.7
529.17993	1.9
530.18665	2.1
532.23022	1.0
539.19501	0.9
546.21173	1.6
547.21490	0.8
551.19360	2.9
552.19629	0.7
555.18774	4.7
556.19629	2.1
557.20081	1.0
558.21112	0.7
572.19043	2.0
574.20520	3.3
575.21301	1.8
576.22235	2.5
583.22284	1.7
585.19733	1.1
589.23035	1.9
590.24109	0.8
595.18311	2.5
599.21289	1.1
616.21729	6.5
617.22296	7.3
627.20972	9.6
628.21045	1.2
631.24048	2.6
634.22723	13.5
635.23535	17.3
636.23663	1.2
645.21869	11.4
646.22351	1.1
659.23834	2.0
677.24548	100.0
678.24744	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
62.15358	0.2
74.62621	0.2
80.63853	0.2
95.78591	0.2
109.33695	0.2
122.30644	0.2
184.07394	0.3
185.04236	0.6
193.04956	0.4
199.27412	0.2
204.70747	0.2
256.26398	0.4
259.07977	0.6
300.09537	0.2
347.09576	0.9
515.31934	20.8
516.32269	1.5
526.70422	0.2
677.37140	100.0
678.37457	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	677.372
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.3
58.26599	0.2
67.01967	0.2
67.05496	0.3
69.07059	0.3
88.07643	0.3
91.05499	0.4
95.08630	0.4
105.07035	0.2
135.87224	0.3
149.02380	0.4
185.04250	0.6
203.05324	1.3
256.26413	0.8
259.07950	1.1
316.35373	0.3
347.09439	1.3
365.10535	3.2
421.13150	1.4
515.31915	21.1
516.32172	1.3
677.37128	100.0
678.37415	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	677.374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60472	1.5
53.03945	2.4
55.01880	1.7
55.05503	11.7
57.03429	6.1
57.07069	5.1
57.17044	1.5
58.33817	1.4
60.12860	1.6
61.02930	23.2
65.03938	1.6
67.05504	63.0
69.03423	2.8
69.07069	11.1
69.32703	5.5
69.33110	3.7
71.04997	4.3
71.08614	2.5
72.33439	2.0
73.02926	8.0
79.05491	39.2
80.14459	1.7
81.07056	66.9
83.08625	8.1
85.02905	25.4
85.06543	3.1
86.09709	4.5
91.03952	24.4
91.05474	23.1
93.07043	50.3
95.04983	4.2
95.08604	59.8
97.02905	9.7
97.06577	2.3
97.10171	2.4
98.23410	4.0
98.68842	1.7
99.08120	3.1
105.07040	19.1
107.08589	36.9
109.06525	2.4
109.10154	31.1
111.08147	3.2
111.11716	2.5
113.09634	2.1
117.06985	10.7
118.95412	1.5
119.08588	16.9
121.10147	35.1
121.10989	2.9
123.11706	14.3
125.09599	1.9
127.03914	8.1
127.20985	1.7
130.36757	1.9
131.08560	17.9
133.10123	15.8
135.11688	26.8
135.57971	1.8
137.09656	2.6
137.13251	5.4
145.04944	12.4
145.10107	15.8
147.11688	14.7
149.09648	1.9
149.13240	22.4
151.11220	2.5
159.11699	17.4
161.13200	11.8
163.06009	20.8
163.14832	15.0
165.12785	2.7
173.13242	17.3
175.14824	3.9
177.16452	4.5
179.14276	3.1
184.07358	6.2
187.14830	10.6
201.16435	4.0
215.17940	2.1
219.17413	2.1
233.22583	2.9
243.21088	37.5
256.26620	1.8
261.22125	100.0
279.23294	2.8
335.25790	17.8
353.26837	39.1
471.16733	3.6
577.00665	2.0
617.22278	13.4
618.22809	2.6
645.21729	10.0
677.25427	13.9
677.35529	6.2
678.25989	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.8
53.03936	2.1
55.01870	1.2
55.05512	13.0
57.03436	7.4
57.07065	2.8
59.05011	0.8
61.02926	17.5
65.03946	2.2
67.05503	72.6
69.03432	3.9
69.06701	1.3
69.07064	14.2
71.04978	2.8
71.08625	1.8
73.02921	7.1
75.04465	2.3
77.03944	1.2
79.05495	41.9
80.05822	0.7
80.81896	0.7
81.03403	1.6
81.07055	88.0
82.07390	1.3
83.04969	2.2
83.08623	8.1
85.02903	19.5
85.06527	2.2
86.09677	1.6
89.37708	0.8
91.03955	16.6
91.05473	21.4
91.31752	0.8
93.07043	57.3
95.04974	4.2
95.08604	65.9
96.08936	1.3
97.02890	10.5
97.06510	3.4
97.10165	3.7
98.23513	1.3
99.08096	2.5
105.04506	1.5
105.07029	18.2
107.08590	37.6
109.02893	1.2
109.06514	2.0
109.10158	37.3
110.10576	0.7
111.08086	1.9
111.11716	1.2
112.53926	0.7
113.09656	1.8
115.03930	1.5
117.07003	9.4
119.08576	14.0
121.10141	36.7
123.08090	2.1
123.11705	22.1
123.12357	0.5
125.09621	1.8
127.03904	7.3
129.05544	1.0
131.07660	1.3
131.08568	20.9
133.10123	16.4
135.11696	27.8
136.12007	1.0
137.09610	2.3
137.13246	8.4
139.11160	1.3
145.04967	9.4
145.10115	14.4
147.08173	0.7
147.11691	13.4
149.09651	1.1
149.13257	22.0
151.11168	2.2
151.14828	1.4
153.12762	1.5
159.11694	13.4
161.12033	1.2
161.13260	11.0
163.06012	10.2
163.11232	0.8
163.14813	16.9
165.12727	2.4
165.16325	1.2
173.13258	16.2
175.14813	3.3
177.12769	1.7
177.16360	7.7
179.14284	3.2
184.07367	4.0
187.14783	8.9
189.16414	0.9
191.14317	2.2
193.04962	0.9
201.16365	3.9
205.15854	2.5
209.15315	1.1
215.17908	1.7
217.19298	0.9
219.17569	0.8
233.22710	3.6
243.21075	36.3
244.21385	1.8
261.22131	100.0
262.22458	3.8
263.23505	1.5
279.23172	5.4
295.22769	0.8
317.24780	1.6
335.25790	36.7
336.26062	1.4
345.24249	0.8
353.26859	39.7
354.27206	1.5
369.24298	1.4
383.69568	0.8
414.95447	0.9
443.28400	1.2
459.98657	0.9
479.30298	1.3
497.30994	7.3
659.39294	0.8
677.35205	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47082	0.4
55.01891	0.6
55.05504	1.4
56.36159	0.5
57.03430	1.4
60.08158	0.9
61.02924	4.8
66.12562	0.4
66.40292	0.4
67.05504	5.1
68.03798	0.5
69.03426	3.0
69.07071	1.0
70.30801	0.4
71.01354	0.5
71.04973	0.6
73.02911	3.3
79.05483	2.6
80.57201	0.4
81.03419	1.7
81.07056	3.3
83.04991	0.5
83.08630	0.7
85.02899	4.0
86.09707	3.5
87.10040	1.0
91.03958	3.8
91.05478	1.2
93.07062	2.9
95.08601	12.8
97.02874	3.7
99.04470	0.9
101.02374	1.9
103.03981	0.5
104.10767	0.5
105.07046	1.3
107.08615	0.8
109.02913	0.6
109.10187	0.8
109.65099	0.5
117.06985	0.4
119.08590	0.8
121.10161	0.9
123.08061	0.9
123.11790	0.5
124.99982	2.6
127.03941	1.6
135.11742	0.7
141.09129	0.6
159.10190	1.4
184.07352	9.1
185.04147	0.6
185.07687	3.5
186.07826	1.9
213.38960	0.4
215.12854	1.3
243.08444	2.1
256.26474	0.6
275.56787	0.4
277.96579	0.5
321.20679	0.5
350.90018	0.4
399.16199	9.8
414.00812	0.4
452.84229	0.4
519.29242	4.3
532.22595	0.4
617.23718	0.6
633.67151	0.5
634.23230	0.6
645.22382	0.8
677.25281	8.4
677.38580	100.0
678.26593	1.1
678.38940	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	677.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05509	1.3
57.03434	1.3
57.07092	0.7
61.02928	4.7
67.05502	4.5
69.03438	3.1
69.07067	1.2
69.55105	1.8
70.06595	0.5
71.04996	0.6
71.77457	0.5
73.02914	3.5
79.05504	2.7
81.03426	1.8
81.07053	4.6
83.08625	0.7
85.02911	5.7
86.09686	0.5
91.03975	3.0
91.05495	2.0
92.48820	0.6
93.07042	3.6
95.04964	0.9
95.08612	7.7
97.02892	4.3
97.06506	0.5
98.22720	0.9
99.04482	0.7
101.02409	1.8
103.03970	0.5
105.03425	1.2
105.07047	1.5
107.08614	2.1
109.02861	0.6
109.10178	1.4
117.02315	0.4
117.07085	0.6
119.08587	1.0
121.10164	1.5
123.08098	0.7
123.11620	0.5
127.03954	1.2
133.10152	0.6
135.11722	0.9
144.55737	0.4
145.10110	0.6
149.05988	4.4
149.13396	0.7
174.73241	0.5
181.08322	0.8
184.07364	1.9
185.04202	0.6
185.07727	0.8
214.27943	0.4
215.12796	1.0
243.08507	1.2
256.26328	1.0
313.54089	0.4
329.18637	0.5
335.25919	1.1
399.16409	4.8
419.50290	0.5
433.01422	0.6
439.25677	0.6
492.93387	0.5
519.29205	7.5
520.29706	0.6
538.28717	0.6
579.84460	0.5
677.38654	100.0
678.38800	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	678.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01872	1.0
55.05509	6.2
57.03431	1.0
57.07069	1.3
61.02925	1.4
65.03931	1.5
67.05502	7.7
69.03429	4.0
69.07070	5.4
69.33872	1.4
69.34262	2.0
71.04978	0.8
74.76240	0.7
77.03954	1.1
79.05495	24.8
81.03433	2.0
81.07058	100.0
82.07389	1.1
83.08611	6.5
85.02906	19.9
85.06544	1.5
91.05477	6.1
93.03429	0.9
93.07045	9.8
95.04964	3.5
95.08614	18.7
97.02893	6.0
97.06525	6.8
97.10170	2.2
99.04480	0.9
99.08118	1.5
100.11234	2.4
105.04507	0.8
105.07034	12.9
107.04960	4.1
107.08603	12.2
109.02875	2.5
109.06520	2.5
109.10166	17.1
111.04443	2.6
111.08060	1.4
111.11732	1.0
117.07018	1.9
119.04980	1.2
119.08582	16.7
121.10152	9.6
123.11713	8.0
125.05994	41.8
127.03915	6.2
129.06987	1.0
131.08571	7.6
133.06497	1.8
133.10133	12.7
135.08029	1.0
135.11700	3.6
137.05978	6.4
137.13295	2.2
143.08557	3.1
145.04970	10.7
145.06180	0.9
145.06450	0.7
145.10129	13.1
147.08026	4.0
147.11694	9.9
149.05975	1.3
149.09576	0.9
149.13234	4.5
150.95157	0.8
151.07582	2.4
151.11157	1.1
154.12216	0.9
155.57750	0.7
157.10143	4.4
159.08020	1.2
159.11699	10.4
161.09636	2.8
161.13222	3.6
163.06039	5.6
163.07387	1.5
163.11142	0.9
163.14824	3.1
165.09129	1.0
169.10027	0.9
171.11650	4.6
173.09590	1.5
173.13249	7.8
175.11217	4.2
175.14825	13.4
177.09122	1.9
177.16447	2.3
180.08659	1.7
181.10089	0.8
182.15369	0.9
183.11714	1.2
185.09465	0.9
185.13239	5.7
187.11176	1.9
187.14847	2.4
191.10678	3.2
197.13293	1.4
199.11215	1.0
199.14859	6.2
201.12746	4.7
201.16333	1.9
203.14314	30.5
204.14638	1.2
205.12291	3.0
207.61743	0.7
210.14888	1.4
213.12671	1.7
213.16328	2.0
219.13803	15.2
221.15369	32.8
227.14368	1.4
227.18011	1.7
229.19539	4.0
231.13820	1.5
233.15248	0.9
245.15433	2.7
253.19374	0.8
255.21082	16.7
257.22696	1.4
261.12994	0.9
265.19434	2.3
271.20538	2.4
273.22128	17.2
283.20554	15.7
301.21619	94.1
302.22012	4.0
319.22675	15.0
325.11194	2.3
357.80011	0.7
363.17905	1.4
365.19580	4.5
427.24799	0.9
445.25861	3.5
463.26968	11.1
464.27325	1.0
481.27301	1.0
620.56567	0.8
637.68164	0.9
679.50806	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	678.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.5
55.01864	0.5
55.05521	3.5
57.03429	0.9
57.07085	0.9
61.02926	0.9
67.05505	4.9
69.03439	2.6
69.07070	5.2
69.17997	2.9
71.05002	0.9
79.05495	8.8
80.37355	0.5
81.03426	0.6
81.07059	18.6
83.04957	0.5
83.08619	3.1
85.02897	8.5
86.25927	0.5
86.47944	0.5
91.05473	4.8
93.07052	9.9
95.04939	1.3
95.08610	13.5
97.02888	2.3
97.06518	1.8
97.10175	1.3
99.08083	1.4
100.11256	1.0
105.07030	17.8
107.04960	1.1
107.08595	15.0
109.02868	0.9
109.06519	1.4
109.10156	9.3
111.08092	1.1
111.11703	1.0
115.07532	0.7
117.02069	0.6
117.07018	2.4
118.76875	0.5
119.04916	0.6
119.08576	11.5
121.10141	10.3
123.08102	0.8
123.11710	4.4
125.05981	6.3
125.09609	0.7
127.03920	1.5
127.19706	0.5
129.06895	0.7
131.08571	10.0
133.06499	0.9
133.10139	7.6
135.11688	5.2
137.05952	0.8
137.13240	1.9
142.07739	0.5
143.08595	3.4
145.04970	3.5
145.10120	19.2
146.10458	0.7
147.08096	0.8
147.11679	7.0
149.09647	0.6
149.13263	6.9
151.07582	1.1
157.10132	3.7
159.08113	0.8
159.11676	8.8
161.09650	1.1
161.13283	4.4
163.05997	1.0
163.07294	0.7
163.14836	2.2
171.11679	4.3
173.13266	9.1
175.11168	2.3
175.14833	4.6
177.05484	0.7
177.16389	1.2
179.10724	0.6
185.13278	4.9
187.11205	0.9
187.14807	4.4
189.12787	0.7
189.16316	3.3
191.10681	0.6
199.14803	8.9
201.12730	0.6
201.16307	0.9
203.14320	2.3
203.17952	0.9
209.13408	0.7
213.16342	3.6
215.14336	0.7
219.14012	0.7
221.15291	1.1
227.17952	2.0
229.19495	5.1
245.22876	0.6
255.21086	13.7
273.22156	7.2
283.20520	2.7
289.21616	0.6
291.23227	3.8
301.21616	24.3
302.22037	0.9
319.22678	100.0
320.23029	3.7
337.23669	1.5
421.12128	0.6
463.27350	0.9
481.27869	3.1
570.98926	0.7
679.51086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
56.05032	0.7
56.89184	0.2
58.06592	0.4
59.34574	0.2
60.07870	0.4
60.08167	6.7
61.83952	0.3
67.05497	0.4
70.89825	0.2
71.07375	2.8
81.07055	1.0
86.09711	29.6
87.10017	0.5
91.05483	0.3
94.24784	0.2
95.05032	0.2
95.08610	0.7
98.98475	2.7
104.10751	1.9
105.06939	0.3
125.00008	18.8
125.11083	0.3
129.62834	0.2
130.69310	0.3
134.21938	0.3
135.26993	0.3
148.41296	0.3
149.25243	0.3
155.49062	0.3
184.07349	100.0
185.07701	1.8
192.55656	0.3
200.49927	0.3
216.35269	0.3
504.24509	0.4
578.25195	0.3
594.28113	0.4
616.26105	0.6
678.26166	3.1
678.46936	6.4
678.87848	0.4
679.47491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15678	0.3
55.05489	0.6
56.05021	0.9
58.06595	0.4
59.06882	0.3
60.08160	7.1
67.05492	1.0
69.07067	0.4
69.92261	0.4
71.07375	4.2
79.05487	0.8
80.99567	0.3
81.07052	1.2
86.09702	37.2
87.10014	0.4
87.69904	0.4
91.05473	0.4
93.07022	0.4
95.08601	1.0
98.98466	3.7
104.10738	3.0
105.07014	0.4
119.08570	0.4
124.99999	25.2
132.42717	0.3
133.10072	0.4
157.17966	0.4
184.07336	100.0
184.74535	0.3
185.07686	0.9
244.47852	0.3
596.22363	0.3
634.26160	0.4
678.46973	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	678.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05525	0.5
56.05032	0.7
56.89184	0.2
58.06592	0.4
59.34574	0.2
60.07870	0.4
60.08167	6.7
61.83952	0.3
67.05497	0.4
70.89825	0.2
71.07375	2.8
81.07055	1.0
86.09711	29.6
87.10017	0.5
91.05483	0.3
94.24784	0.2
95.05032	0.2
95.08610	0.7
98.98475	2.7
104.10751	1.9
105.06939	0.3
125.00008	18.8
125.11083	0.3
129.62834	0.2
130.69310	0.3
134.21938	0.3
135.26993	0.3
148.41296	0.3
149.25243	0.3
155.49062	0.3
184.07349	100.0
185.07701	1.8
192.55656	0.3
200.49927	0.3
216.35269	0.3
504.24509	0.4
578.25195	0.3
594.28113	0.4
616.26105	0.6
678.26166	3.1
678.46936	6.4
678.87848	0.4
679.47491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47294	0.3
57.81031	0.2
59.41912	0.2
68.71570	0.3
69.27644	0.4
69.28046	0.7
74.02454	0.7
91.05466	1.1
98.22749	0.4
115.05441	1.1
117.05791	0.6
117.07052	1.2
118.06541	16.6
119.06857	0.6
130.06557	1.4
132.08092	4.5
142.06508	2.0
142.56741	0.3
143.07280	2.4
144.04434	0.4
144.08087	11.4
145.08395	0.3
146.06003	59.0
147.06313	1.5
155.06050	0.4
159.09181	6.0
160.07588	1.0
170.05991	3.7
188.07062	100.0
189.07423	3.0
205.09720	38.2
206.10063	1.1
400.58551	0.3
452.41998	0.3
484.98688	0.2
520.01465	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76027	0.3
61.02934	0.7
69.03416	0.8
69.62304	1.2
70.06590	0.4
71.01354	0.4
77.03933	0.4
85.02908	6.7
97.02898	2.8
99.04432	0.5
103.05463	0.5
109.02866	0.7
127.03921	2.8
130.06528	100.0
131.06880	2.0
145.04938	4.6
156.08080	0.5
158.06026	2.3
163.03867	0.5
163.06062	2.8
163.07230	0.5
174.34570	0.4
176.07089	2.5
177.05487	0.5
184.07579	1.6
190.56770	0.4
226.08595	1.0
230.08182	0.5
238.08519	0.9
254.08119	9.1
256.09729	0.7
292.11810	1.0
302.10220	1.5
320.11282	23.7
321.11703	0.6
325.11221	2.0
411.65302	0.4
679.12201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91212	1.3
69.09579	2.8
69.09978	9.7
103.52934	1.7
137.01149	1.4
186.77351	1.3
251.22182	1.4
461.23599	2.0
473.19125	2.2
483.21097	1.7
517.21887	2.0
533.22223	1.7
543.23322	3.4
557.25586	1.8
560.23938	2.5
561.24298	5.0
571.22961	4.1
575.26160	18.9
576.25806	2.3
603.25812	21.5
604.26654	2.0
605.23395	3.5
619.25177	4.0
620.25867	6.0
635.28412	100.0
636.28436	6.6
647.24030	5.3
679.27399	27.9
679.46222	3.4
680.28223	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21041	7.9
77.61683	1.6
77.74875	1.7
98.23421	3.1
143.20732	1.6
191.40582	1.4
237.13724	1.5
269.81210	1.4
333.17508	1.7
360.21469	1.9
461.23608	2.8
473.19305	1.9
517.22369	3.0
533.22833	2.3
534.23914	2.1
543.23370	4.8
545.21552	3.0
557.24969	1.9
560.24060	1.6
561.25385	2.6
571.22791	5.1
575.26367	23.2
576.25775	3.3
588.23499	2.3
603.25720	25.2
604.25500	4.1
605.23578	3.4
619.25171	3.4
620.25867	6.9
635.28387	100.0
636.28632	8.6
647.24896	8.2
679.27515	27.3
679.46887	2.0
680.27704	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	679.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01878	1.1
55.05513	22.3
55.05779	1.1
57.03441	8.4
57.07082	11.7
61.02928	18.8
65.03938	2.8
67.05508	86.2
68.05827	1.2
69.03444	3.3
69.07069	30.8
69.97364	1.4
70.07405	0.8
71.04987	3.0
71.08639	6.6
73.02926	7.0
74.06093	0.6
75.04472	1.1
79.05494	24.0
80.05840	0.8
81.03439	1.7
81.07059	99.8
82.07382	1.4
83.04974	2.7
83.08623	24.1
83.89478	0.6
85.02908	20.5
85.06544	3.6
85.10174	2.8
91.03960	20.0
91.05483	18.5
93.07050	26.1
95.04960	2.5
95.08610	85.6
96.08986	1.1
97.02895	10.7
97.06544	8.3
97.10171	15.9
98.22800	0.8
99.04477	1.4
99.08090	4.6
100.11204	0.7
101.02435	0.8
103.03973	0.9
105.04515	0.8
105.07024	12.4
107.08598	20.9
107.88393	0.6
109.02905	0.8
109.06498	1.4
109.10161	46.5
110.10508	1.2
111.08071	5.3
111.11732	4.2
113.09640	2.3
115.03959	0.8
119.08586	15.7
121.10150	23.6
123.08128	1.4
123.11707	21.7
125.09621	2.3
125.13284	1.4
126.53159	0.6
127.03923	8.1
127.11211	2.3
131.08575	1.2
133.09174	1.4
133.10136	20.1
135.11694	14.8
137.09602	1.8
137.13249	10.3
139.11145	1.7
141.12730	3.8
145.04948	10.4
147.11694	13.4
149.13261	13.3
151.11194	2.2
151.14825	7.3
153.12744	1.9
155.14307	4.1
159.11769	0.9
161.13260	16.1
163.06009	12.6
163.14824	12.2
165.12759	1.2
165.16411	10.9
167.14337	1.8
169.15863	0.8
175.14812	10.8
177.16370	2.7
179.14420	0.7
179.17934	7.6
181.15840	1.6
184.07448	1.4
185.15382	0.8
189.16391	4.9
193.04909	0.7
193.15945	1.8
201.07564	0.8
203.17934	2.0
205.19618	0.8
207.17500	1.0
217.19516	1.4
245.22655	67.7
246.23007	2.5
256.26520	0.8
263.23703	100.0
264.23993	4.3
265.25189	1.4
281.24728	1.7
337.27380	72.8
338.27615	3.8
355.28409	8.9
371.25723	1.0
463.30603	0.7
481.31479	1.0
499.32663	6.2
679.54303	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
55.01868	0.6
55.05509	3.8
56.99214	0.4
57.03439	2.0
57.07064	0.4
57.49913	0.4
61.02932	4.9
67.05505	3.0
69.03432	3.3
69.07060	1.4
71.05015	0.4
71.46172	0.4
73.02912	4.0
79.05492	3.8
81.03424	1.5
81.07053	3.4
83.04989	0.8
83.08633	2.0
85.02901	5.3
86.09733	1.0
87.04502	0.4
91.03950	3.7
91.05490	1.0
93.07057	1.8
95.04987	0.7
95.08626	1.6
97.02887	3.6
97.10172	4.1
99.04451	0.9
100.11276	0.5
101.02385	1.7
103.03969	0.6
105.07035	0.8
107.08613	2.5
108.81688	0.4
109.02898	0.6
109.10172	0.5
110.88791	0.4
111.04470	0.5
115.03920	0.8
119.08612	0.9
121.10162	0.5
125.00038	0.5
125.09660	3.2
127.03945	1.3
129.05522	0.4
133.10159	0.5
135.11752	0.4
145.04999	0.6
145.10129	0.6
184.07349	4.2
185.04324	0.7
191.38782	0.4
204.06438	0.4
206.69560	0.4
217.14326	1.9
243.08470	1.4
318.45480	0.5
321.41986	0.5
362.13409	0.5
401.17816	8.8
401.22678	0.7
519.29266	3.4
523.46503	0.4
539.39734	0.6
625.07684	0.4
679.40247	100.0
680.40680	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	679.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
55.05511	3.0
57.03431	1.5
61.02927	5.5
67.05500	3.9
69.03438	3.1
69.07076	1.4
71.46527	0.6
73.02924	4.3
79.05496	4.6
81.03423	1.7
81.06609	0.8
81.07056	5.3
83.04968	0.8
83.08616	1.6
85.02908	4.8
91.03954	3.5
91.05497	1.9
93.07053	3.0
95.04967	0.7
95.08612	3.7
97.02892	4.3
97.06564	0.6
97.10197	2.6
99.04474	1.0
100.11286	1.1
101.02348	1.2
105.07035	2.1
107.08601	2.1
109.02895	1.0
109.06496	0.5
109.10161	1.3
114.79843	0.5
117.07019	0.7
119.08575	1.7
121.10128	1.7
123.11777	0.7
125.09656	1.5
127.03947	1.2
135.11720	1.1
135.98862	0.5
145.10051	0.7
184.07391	0.7
198.37013	0.5
203.08913	0.6
217.14439	1.5
243.08427	1.7
255.28021	0.6
264.61972	0.6
401.17966	4.1
517.32843	0.5
519.29352	6.9
642.84766	0.6
679.40137	100.0
680.40570	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	679.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46252	0.4
55.05513	1.5
56.55687	0.4
56.96569	77.9
62.65120	0.5
67.05504	1.9
69.07077	5.2
69.47250	1.8
69.73112	0.5
71.95274	2.0
72.96050	2.9
74.97636	1.1
79.05506	0.9
81.07059	2.1
83.08625	1.3
84.96017	2.6
91.05492	0.5
92.98693	1.0
93.07045	1.2
95.08614	2.5
97.10227	0.6
98.97575	0.7
105.00162	0.7
105.07049	1.0
109.10175	1.3
119.01736	1.7
119.08488	0.4
123.01219	1.0
127.00710	0.7
128.98596	0.6
131.01730	0.8
133.10121	0.7
133.11816	0.5
137.02750	7.2
149.02798	0.6
151.00696	0.6
151.04280	1.1
155.03819	4.9
156.01048	0.4
159.04846	0.5
159.24298	0.5
160.04439	0.7
161.09720	0.6
163.04343	1.4
165.02248	1.2
165.05867	0.9
167.03868	1.5
169.01770	0.7
169.05403	1.7
173.05014	0.7
175.04341	0.7
177.05948	1.9
178.05504	0.9
179.03856	0.8
181.01813	2.0
181.05324	2.9
183.03387	2.5
183.06953	1.1
184.07333	0.7
189.02255	0.5
189.06085	0.8
191.03825	1.3
191.07561	0.9
193.05290	0.9
195.03436	1.0
195.06940	3.8
197.01334	0.6
197.04884	0.6
199.02800	10.5
199.06482	1.2
199.93207	0.5
201.04333	2.6
201.06042	0.8
203.07529	1.2
205.05492	1.2
205.09039	0.6
207.07063	0.7
209.04936	0.8
209.08478	3.4
211.02882	0.7
211.06393	0.7
212.03590	0.5
213.04233	2.4
213.06133	0.5
214.05130	2.4
215.07533	1.0
217.03740	5.6
217.08984	1.1
219.03471	0.6
219.07042	3.7
221.08572	1.6
222.04419	1.4
223.06487	1.0
223.10074	1.1
225.04437	1.6
227.05980	1.5
227.09348	0.6
227.11192	0.9
229.09126	2.7
231.07018	3.7
231.10561	4.1
232.06279	1.1
233.04927	1.7
233.08516	2.3
235.06432	0.8
235.10074	0.8
237.07721	0.7
237.11674	0.6
239.05943	0.9
240.06830	0.7
241.09158	1.1
243.05258	0.8
243.10692	1.6
245.04883	0.7
245.08736	3.0
245.12152	4.8
247.06396	1.1
247.10083	4.9
247.13802	0.8
249.08064	1.3
249.11586	4.1
251.05917	1.7
251.09727	0.5
251.13255	1.5
253.07481	3.7
254.04655	1.2
255.10611	0.9
257.12225	2.5
258.07733	1.1
259.06360	1.1
259.10141	1.5
259.13788	1.7
261.08063	1.8
261.11761	1.6
263.09583	1.7
263.13269	3.5
265.07364	0.8
265.14896	2.0
267.08963	0.6
271.08374	3.8
273.08167	0.8
273.11749	0.9
275.09766	1.0
275.13321	1.7
277.07678	1.0
277.11215	2.2
277.14743	1.7
279.09314	0.6
281.10626	0.6
289.11133	0.9
291.09055	0.6
295.11951	2.4
295.17490	1.4
297.15448	1.0
297.18961	2.8
304.13400	0.5
307.12137	1.1
311.16800	0.9
313.13046	1.3
313.18350	3.0
315.12869	0.7
315.16479	1.0
315.19891	6.2
319.08273	0.5
321.14078	0.6
322.14597	0.8
329.17966	0.8
331.19473	1.3
333.20944	5.7
341.17856	26.4
342.18256	0.8
359.18930	99.7
360.19305	4.5
370.89383	0.5
377.20010	58.7
378.20447	2.9
379.20004	0.6
382.20535	13.2
383.21216	0.7
395.21069	23.7
396.21548	1.0
400.21634	4.4
413.16638	0.7
416.21320	0.7
418.22598	1.6
465.23184	1.6
483.24243	0.9
509.25504	0.7
519.27802	1.1
537.28613	0.9
599.41852	0.7
643.40485	19.1
644.40796	1.5
661.41382	51.9
662.41736	4.4
679.42505	100.0
680.42767	8.8
684.42249	1.8
697.43439	2.2
702.43793	5.7
703.43182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
58.53614	0.6
66.69579	0.6
66.96319	0.6
75.68718	0.6
77.00919	0.8
79.05515	0.8
81.07045	0.6
83.92855	0.6
85.66826	0.6
100.11265	5.0
103.15968	0.6
128.07100	0.6
130.97200	0.7
182.15498	1.9
196.61743	0.6
197.10263	1.3
205.40952	0.6
209.16576	1.9
210.15016	1.9
215.11246	4.3
239.11143	0.7
243.14511	1.6
253.12909	5.1
271.14041	2.9
315.18188	0.7
333.19022	4.4
350.20276	0.7
351.21371	100.0
352.21774	5.4
369.21255	4.6
679.41699	1.8
679.51337	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	680.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	5.2
53.06337	0.7
53.60139	0.5
55.01868	5.2
55.05511	10.4
57.03442	4.1
61.00040	0.7
61.02938	3.0
64.05424	0.6
65.03946	0.9
66.93391	0.5
67.05502	2.2
68.99793	2.0
69.03432	18.9
69.07066	2.5
69.48636	2.5
70.06574	0.7
71.04987	2.9
72.08176	0.6
72.44511	0.6
73.02909	4.5
77.03931	0.6
79.05493	4.4
81.02955	1.4
81.03418	23.2
81.06618	1.0
81.07061	10.9
83.04971	3.2
83.08644	1.1
85.02908	35.1
85.06554	2.1
87.00833	14.1
87.04485	0.9
87.60956	0.6
91.03958	0.8
91.05481	6.3
93.07053	6.6
95.04971	16.2
95.08606	4.4
97.02895	14.6
97.06525	2.1
99.04444	8.5
101.02350	0.6
103.03931	1.2
105.01868	13.1
105.02530	1.0
105.04520	0.7
105.07034	11.5
106.23313	0.6
106.41409	0.6
107.04948	1.1
107.08596	14.0
109.02883	24.3
109.06528	2.6
109.10149	4.6
111.08118	0.9
115.03909	0.6
115.05447	0.6
117.01858	2.9
117.07003	2.7
119.08580	13.2
121.06528	1.9
121.10152	8.4
123.08095	2.2
123.65477	0.6
125.05990	1.4
127.03915	32.6
128.06175	1.2
129.01848	2.6
129.07036	2.1
131.08582	5.1
133.06473	0.9
133.10133	14.3
133.11143	0.8
135.08058	6.4
135.11723	3.6
137.05995	1.2
137.09610	2.5
142.07787	2.1
143.08571	5.5
144.09346	4.2
145.04956	11.9
145.10121	3.6
147.02910	2.2
147.08046	7.4
147.11693	2.3
149.09619	13.2
151.11192	0.8
156.09357	1.0
157.10092	5.9
159.02890	12.3
159.08066	0.8
159.11687	21.4
161.09624	18.1
161.13274	2.6
162.10396	7.3
163.11198	6.6
165.09203	1.5
169.10251	1.2
170.10910	1.0
171.11693	2.4
173.13237	3.0
175.11197	3.0
175.14896	2.7
177.12665	0.7
179.10664	4.3
181.04961	0.7
184.12488	1.7
189.03987	1.2
189.16277	3.0
199.14798	11.4
200.34271	0.7
202.13522	0.9
213.03944	1.1
217.15877	81.4
218.16194	3.1
219.17369	0.8
221.11702	1.1
231.05031	6.9
235.16930	14.4
249.06189	1.3
280.34882	0.6
427.15808	0.7
439.23444	1.6
465.21109	3.2
483.22269	100.0
484.22726	5.5
525.16998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01865	2.7
55.05509	17.8
57.03436	1.2
57.07069	2.1
61.02916	2.2
65.03918	2.2
67.05506	13.1
68.99775	1.7
69.03436	13.9
69.07060	9.3
70.06580	2.9
70.63520	1.7
71.05011	2.5
73.02888	2.7
79.05495	14.1
81.03410	11.7
81.07057	47.8
82.06595	1.8
83.04956	3.4
83.08618	10.5
84.08141	3.4
85.02399	2.0
85.02909	27.3
85.06538	1.0
86.47459	1.1
87.00826	10.7
91.03937	1.1
91.05486	16.5
93.07047	41.4
95.04977	7.0
95.08607	49.6
97.02889	17.0
97.06532	2.0
97.10135	1.6
98.09718	1.1
99.04454	5.5
100.07619	3.0
100.11259	42.6
101.11596	4.1
103.05441	1.4
105.01862	12.1
105.04509	2.4
105.07029	39.1
107.04945	2.6
107.08595	56.5
109.02890	13.7
109.06542	5.3
109.10152	20.4
110.06042	2.9
111.04473	7.9
111.08068	3.9
111.11701	2.7
112.07563	1.2
117.06986	2.6
117.13848	1.1
118.46318	1.1
119.08583	72.5
121.06490	4.1
121.10143	15.3
123.04427	2.0
123.08089	5.5
123.11697	2.8
125.05986	2.9
125.09646	2.2
127.03912	23.0
128.07079	5.5
129.01842	1.8
129.07010	1.3
131.08540	5.7
133.06448	2.0
133.10135	37.4
135.08041	3.5
135.11691	37.3
137.06046	1.7
137.09602	1.6
139.07527	5.6
139.08591	2.3
140.07080	2.5
143.08562	4.7
144.09372	1.2
145.04982	5.3
145.10139	7.5
147.02815	1.5
147.08052	2.1
147.11687	24.7
149.09633	2.0
149.13234	2.1
153.09149	2.2
157.10120	6.8
159.02904	2.1
159.08041	2.0
159.11665	9.8
161.05949	1.3
161.09612	4.5
161.13251	22.6
163.07574	3.8
163.11179	1.7
164.06949	1.2
168.07384	1.5
169.10161	2.3
171.11700	2.1
173.09583	1.5
173.13245	6.6
175.11191	4.1
175.14809	8.6
179.10635	3.5
180.08664	1.3
182.15419	15.6
183.15750	3.0
185.13081	1.1
187.14781	3.1
189.16386	100.0
190.16701	3.7
191.10683	1.1
193.12267	1.4
197.13309	1.4
199.14812	8.2
209.16467	11.0
210.14911	16.9
210.16765	1.9
211.15140	4.2
213.03914	1.6
213.16267	1.4
215.14346	2.7
217.15868	33.1
218.16167	1.5
226.19136	3.5
227.17555	1.9
228.15845	1.8
229.15952	1.7
231.04973	6.4
231.59544	1.1
233.15363	1.1
235.16908	26.9
236.17265	1.1
241.15851	1.0
249.05913	2.8
253.18100	1.1
259.17117	1.5
288.70877	1.1
297.18552	1.8
301.18091	2.1
307.16681	2.0
325.17892	4.4
326.27942	2.7
343.19122	5.5
361.20041	8.8
379.21100	13.3
429.19351	1.6
435.33463	2.3
437.22012	1.2
447.19949	4.0
453.34247	8.5
453.84256	1.7
454.34521	3.0
465.21201	20.9
483.22119	7.1
515.53491	1.1
518.30859	2.4
661.49811	2.1
671.01044	1.8
679.51294	16.0
680.01501	10.9
680.25958	1.5
680.36261	4.1
680.50690	19.5
681.22137	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	9.7
55.05737	2.0
57.03434	8.3
57.07067	2.1
61.02931	19.6
67.05511	56.8
69.03442	3.2
69.07072	11.1
70.98655	1.5
71.04993	3.8
73.02927	8.3
79.05495	33.2
81.07066	66.3
83.04991	2.3
83.08640	7.4
85.02915	27.3
85.06548	3.7
91.03967	22.1
91.05492	16.3
93.07053	46.4
95.04996	3.3
95.08615	62.8
97.02905	14.4
97.06544	3.4
97.10179	4.8
99.08107	2.6
105.07042	18.4
107.08602	35.4
108.59081	1.7
109.06505	1.8
109.10167	35.3
109.10883	2.7
111.08080	1.8
111.96629	1.4
115.05318	1.4
117.07048	7.0
119.08578	15.6
121.10155	34.4
121.10986	2.6
123.11708	14.2
127.03932	8.8
131.08583	20.8
133.10150	14.1
135.11694	27.5
137.13264	4.4
139.11249	1.5
145.04985	12.4
145.10133	14.8
147.11720	16.6
149.13275	23.3
151.11179	3.4
153.12798	1.9
159.11722	18.8
161.13261	5.1
163.06046	19.8
163.14728	7.5
165.12759	3.4
168.10800	1.5
173.13243	11.4
187.14828	6.2
193.98041	1.6
219.21095	3.3
229.19525	43.8
240.55171	1.8
247.20583	100.0
248.20915	3.1
249.22241	1.7
265.21585	4.7
321.24225	33.4
339.25320	59.1
340.25647	3.9
483.29477	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	680.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.5
56.05011	0.8
57.07061	0.3
58.06583	0.5
58.41069	0.3
60.08165	5.3
67.05479	0.4
69.07047	0.4
71.07374	2.9
71.08629	0.3
79.05469	0.3
81.07035	0.6
83.08610	0.5
86.09708	29.7
87.10030	0.6
95.08566	0.3
97.10149	0.5
98.98460	2.9
104.10753	2.3
107.08543	0.3
117.53601	0.2
125.00005	21.1
137.31281	0.2
139.20218	0.3
145.38261	0.2
184.07343	100.0
185.07729	1.8
189.11209	0.3
208.20656	0.2
210.15033	0.3
225.90955	0.2
227.12807	0.7
244.87708	0.2
245.13774	0.6
313.27432	0.5
483.36951	0.4
501.54526	0.2
565.02441	0.3
680.48651	8.5
681.48639	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.252
Annotation	Temoporfin
Peak:m/z	Relative Intensity
53.40253	1.4
58.59637	1.0
63.43132	1.2
63.84199	1.1
75.01537	1.2
76.99514	1.5
122.09682	1.1
169.47632	1.2
196.29103	1.2
202.05200	1.4
215.87390	1.2
219.06470	1.7
233.07953	1.5
236.67012	1.4
249.26361	1.3
425.12247	3.5
440.14441	7.4
681.25092	100.0
682.25427	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	681.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02362	1.0
53.64870	0.9
59.50178	1.2
59.51627	1.2
70.33260	1.8
77.49654	1.1
86.98801	1.0
89.08708	1.1
100.11279	3.6
135.43394	1.2
150.20615	1.0
185.04222	12.6
190.27823	1.3
203.05312	2.0
210.15031	1.3
211.15340	1.3
235.67117	1.0
238.31038	1.2
247.69112	1.1
278.23395	1.1
313.21451	10.6
330.63025	1.1
330.66925	1.1
345.96564	1.1
357.20328	19.6
380.83630	1.2
443.95422	1.1
519.25665	76.1
520.26007	6.6
680.51367	6.1
681.30933	100.0
681.51263	3.3
682.31622	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.96997	3.0
69.97327	1.6
72.08148	1.4
81.74363	1.5
88.58003	1.3
89.11298	1.5
89.11924	1.5
100.11259	1.7
100.34854	1.4
100.85037	1.6
165.16301	1.4
185.04138	9.8
199.72592	1.3
203.05200	1.9
205.04765	4.3
357.20328	76.4
358.20920	4.0
519.25562	52.3
519.32770	3.0
520.26117	3.9
680.51752	3.6
681.30975	100.0
682.31281	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	682.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42586	0.4
89.91749	0.5
95.08607	0.6
117.26083	0.4
164.96236	0.5
175.22948	0.4
180.66895	0.4
210.11606	0.4
221.10779	0.6
223.12328	0.5
233.10851	0.4
263.52673	0.4
344.16663	0.4
373.14389	0.7
376.16742	0.6
377.17764	1.1
378.18448	0.7
385.14438	0.6
387.16217	0.6
388.16354	0.6
389.17819	2.2
390.18271	2.3
391.19199	2.4
392.19806	0.9
393.20856	1.5
398.14984	0.7
401.17450	1.1
402.17587	0.9
403.19244	3.3
404.14493	0.6
404.19492	1.8
405.20679	3.2
406.21289	1.5
407.22406	2.2
413.17548	0.7
415.19067	0.8
416.18707	1.5
417.20392	1.8
418.16022	3.0
418.21750	1.0
419.17316	2.4
419.22604	1.8
420.22034	4.1
430.20712	1.1
431.18472	0.8
431.21869	0.6
432.18207	2.2
432.22476	1.9
433.19049	4.1
434.20242	1.4
435.17932	0.7
436.19040	0.5
437.19482	0.6
442.17111	0.6
444.19131	0.8
445.19571	1.2
446.19843	2.8
447.21075	3.5
448.21313	13.0
449.20078	2.6
450.20547	0.7
451.21262	2.3
456.17963	0.7
457.16000	0.8
458.19690	0.9
459.21548	0.9
460.21802	1.6
461.19208	0.8
462.19659	1.4
463.21500	2.0
465.22986	1.7
470.20364	0.5
471.18832	0.6
472.18915	0.7
473.18887	0.9
474.19833	1.3
475.20071	2.3
476.20819	27.6
477.21646	4.0
478.23596	1.3
486.19244	1.3
487.20706	2.5
488.21198	3.2
489.22537	1.8
491.24753	0.8
492.20950	1.1
493.22443	1.4
502.22473	2.4
503.23178	1.3
504.20224	3.4
505.22006	2.5
506.22845	1.3
514.22534	2.5
515.20752	6.7
516.20709	2.8
517.22473	2.6
518.22217	1.5
519.23767	2.4
520.24316	1.2
521.25385	1.8
530.21881	4.9
531.22638	10.4
532.23077	1.1
533.22540	0.5
534.24835	1.3
535.25586	1.0
536.24451	0.5
542.21863	1.6
546.25330	3.2
547.23370	9.6
548.23602	2.3
549.24756	1.5
551.26489	3.9
552.27362	0.7
553.28265	2.6
562.24463	8.5
563.25262	9.3
564.25110	1.3
565.24506	0.8
572.22723	0.6
574.24396	1.6
579.26019	21.9
580.26111	2.7
581.27655	5.7
582.27795	0.6
590.24011	12.1
591.24542	2.6
594.26880	1.0
605.26508	1.6
606.26996	0.9
618.23529	0.9
622.26611	3.6
623.26685	0.8
650.26038	26.9
651.26746	2.8
654.29199	0.5
664.27356	1.8
682.28693	100.0
683.28961	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	683.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83557	0.9
62.87923	0.7
64.21559	0.7
70.06570	1.0
73.04736	0.9
75.55623	0.7
86.09751	0.9
87.65785	0.8
91.05804	0.9
161.38040	0.7
163.03912	1.4
176.04413	1.6
192.83775	0.7
205.04716	100.0
206.05086	1.4
218.05499	2.8
230.05594	1.5
231.06300	0.8
232.07088	8.6
245.07816	6.2
427.13583	3.8
443.13586	1.7
457.14960	2.1
458.15396	14.8
459.15903	4.3
564.51630	0.8
653.22113	3.4
683.23059	94.2
684.23102	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	683.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96577	0.4
69.92793	1.0
70.06590	1.3
81.07034	0.4
85.02931	0.4
86.09760	0.4
91.05862	0.4
92.55717	0.4
184.07283	0.4
328.16983	0.4
349.47238	0.4
376.27097	0.4
377.20108	0.7
429.09116	0.4
440.04926	0.4
521.25146	12.6
530.15051	0.4
683.30389	100.0
684.30725	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	683.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64020	0.5
56.24031	0.5
57.26408	0.5
62.75518	0.5
71.35330	0.5
73.04613	0.6
91.05764	0.6
91.85294	0.5
95.87539	0.4
120.47907	0.5
121.06419	0.9
148.24529	0.5
158.22050	0.5
170.35045	0.5
185.04140	1.3
205.04561	1.7
242.07048	0.5
256.06921	0.8
300.11966	1.0
337.43582	0.7
498.70181	0.5
521.27234	93.3
522.27557	5.4
635.20990	0.7
665.22113	7.0
666.22498	0.8
683.22974	9.7
683.32617	100.0
684.23175	1.0
684.32947	6.9
691.98633	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4717
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61216	0.6
64.86859	0.5
68.01570	0.6
69.50228	1.6
69.50619	1.3
73.04749	0.7
73.25545	0.5
75.19745	0.6
77.00915	1.4
88.05866	0.5
91.05822	1.3
95.01928	0.7
102.79572	0.7
103.81105	0.6
197.10358	0.9
201.09769	1.8
213.09752	4.4
215.11290	2.9
225.13440	1.3
231.10818	4.5
233.12306	0.6
241.09161	1.0
241.13066	0.7
242.10036	0.7
243.14424	3.5
253.12878	3.7
264.72928	0.7
271.13950	3.6
317.19705	2.8
335.20633	10.6
353.22943	100.0
354.14447	2.5
354.23199	3.9
371.22821	10.6
372.23172	0.6
383.97708	0.6
392.51401	0.7
394.24503	1.9
429.09067	0.7
683.45831	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	684.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	3.2
60.06186	1.1
61.14177	0.9
68.24785	1.1
69.03411	3.0
69.42966	4.9
70.01054	1.2
70.06586	2.2
70.91064	0.9
71.04995	12.8
73.02926	1.5
73.04762	2.0
78.46501	1.1
79.05515	1.6
79.63200	0.9
79.68288	1.2
79.87250	1.0
81.03426	1.5
81.07034	1.2
85.02900	20.2
91.05415	2.8
91.05842	3.3
94.04186	1.3
97.02918	1.5
103.05482	7.4
105.07020	3.6
107.04994	1.7
109.06538	1.4
115.05446	3.2
119.08596	4.4
122.03637	4.6
128.06235	1.7
129.05486	5.6
129.06979	3.6
131.04935	16.0
132.05695	5.0
132.93758	1.1
133.06471	4.1
137.05980	100.0
145.06433	1.4
147.04413	1.1
147.06450	1.1
147.08037	7.0
149.05969	2.6
151.07587	1.2
159.08052	2.3
160.05209	2.8
161.05977	13.3
163.07552	31.5
164.09242	2.6
167.05624	1.2
175.07544	82.7
176.07950	2.3
179.07059	1.3
187.07541	6.4
191.08545	3.5
193.08607	3.8
199.07492	6.7
201.09091	1.9
203.08539	3.3
205.08560	1.6
217.08606	2.1
219.08034	6.9
223.34029	1.1
225.04214	1.9
231.08064	5.8
233.37030	1.3
247.07623	3.6
248.08235	2.7
251.10664	12.8
259.07535	2.0
260.08237	2.6
261.09082	1.2
262.09760	1.2
263.10629	2.9
264.07935	1.3
279.10278	7.4
280.10672	1.5
291.10205	9.2
292.10742	2.7
309.11029	1.9
311.09320	2.1
311.12772	29.5
312.13025	1.7
323.12784	29.9
324.13229	1.4
325.14371	12.0
326.14508	1.5
341.13889	9.3
359.02774	2.0
429.08731	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	685.287
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76431	0.8
73.04768	1.2
81.07059	1.8
91.05804	2.1
105.07079	1.3
131.08577	2.1
145.10126	0.9
375.15338	1.0
382.58429	1.0
388.17078	1.1
389.17630	1.1
403.19403	1.4
416.20441	1.1
417.16937	1.8
429.17157	1.3
431.18616	2.7
445.20169	2.8
446.21207	2.0
447.22205	1.9
459.16919	4.8
460.23004	2.0
471.18253	1.2
472.18692	1.3
473.19067	1.5
473.24329	1.3
474.24219	1.8
486.21005	1.4
487.17596	2.9
487.22330	1.1
488.22430	1.9
489.23065	2.6
491.20728	1.3
499.17792	1.3
501.18747	1.6
502.20047	1.2
503.21332	1.2
514.19922	1.5
515.21613	8.8
516.21497	1.3
517.22009	4.4
529.22571	2.6
530.19275	19.1
531.19952	1.9
533.21783	1.4
543.20050	1.5
545.20575	1.1
546.22522	1.4
553.16302	1.2
559.23346	2.2
561.21423	2.8
565.20789	3.9
574.22662	4.3
575.23175	2.1
576.23462	1.8
589.24042	2.5
591.25885	2.7
593.24219	7.1
594.24152	1.9
603.22211	4.1
617.23938	14.1
621.23102	2.5
625.26489	1.3
635.25024	100.0
636.25244	8.2
653.25848	6.5
667.27148	3.9
685.28552	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	685.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
73.04765	0.7
91.05826	1.2
107.08575	0.5
117.15159	0.4
122.48962	0.5
185.04326	0.8
203.05338	2.0
259.07922	1.1
347.09525	1.0
357.07477	0.6
365.10507	2.5
414.37506	0.5
421.13269	1.3
523.28857	19.2
524.29004	1.0
685.34021	100.0
686.34296	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	685.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41599	0.3
67.05502	0.4
73.04769	0.6
77.25536	0.4
85.67921	0.3
86.37411	0.3
91.05795	0.5
120.21376	0.3
133.10150	0.4
164.80434	0.4
184.07341	0.6
208.65775	0.3
223.12251	0.3
276.65952	0.3
415.14453	0.3
430.09076	0.5
438.18097	0.3
451.93793	0.3
603.22418	0.6
653.26794	1.0
685.39185	100.0
686.39343	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	686.256
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06590	4.1
71.08749	3.0
73.04743	4.8
84.04435	2.8
85.02905	8.1
86.09695	2.7
91.05421	2.5
93.07047	5.8
94.06598	8.6
95.07346	7.3
96.08126	23.3
108.08113	13.7
110.09680	33.4
120.08119	21.2
125.75237	3.0
136.07578	10.8
137.05980	5.1
138.09135	39.8
148.07581	8.2
150.09126	6.8
166.08640	89.5
222.16713	2.4
225.04242	3.0
225.10185	4.9
236.87552	3.2
237.10162	15.2
239.08138	6.1
241.09715	6.6
247.08711	2.7
249.11324	6.8
251.08127	4.8
253.09767	16.1
255.11131	3.4
265.09613	28.9
266.10339	3.8
267.07541	3.3
267.11252	5.7
277.09662	3.2
281.09186	22.6
281.50815	3.0
283.10693	13.8
287.10315	5.3
293.09146	22.0
295.10788	19.3
296.39023	2.9
309.08636	5.0
311.10275	18.0
313.11951	3.2
321.08667	11.6
327.09845	22.0
339.09720	37.8
341.11169	4.1
353.11224	3.8
359.12415	40.4
366.13867	3.0
371.12320	26.0
418.17560	8.2
446.17087	7.1
464.18060	29.8
474.16479	3.6
492.17667	100.0
493.17841	6.2
506.19373	7.6
524.20245	60.1
525.20825	3.0
686.23395	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	686.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	7.5
58.06599	2.3
65.03936	0.7
66.33092	0.6
70.06596	17.0
70.75933	0.6
71.08629	3.2
72.08160	0.9
73.04758	0.9
76.09665	0.5
77.03975	0.7
78.96765	0.6
85.10192	1.4
87.68518	0.5
88.07636	21.4
92.83230	0.5
95.08617	0.8
99.13866	0.5
102.09182	15.7
108.36500	0.5
114.93170	0.5
131.05049	0.7
139.03920	0.6
145.10168	0.7
149.02345	33.5
150.02710	1.4
170.06564	0.5
175.03973	0.8
177.05490	1.2
191.07076	0.6
193.04968	43.4
194.05406	0.6
219.06619	0.8
237.07574	11.1
237.09702	0.8
269.04480	1.0
284.29489	43.6
285.29968	1.9
297.04010	1.7
313.07224	2.1
341.06561	8.2
343.08383	0.7
359.07574	6.8
385.09195	16.7
386.09534	1.1
429.11865	25.6
430.12149	1.5
558.25647	0.6
668.38116	1.2
686.38983	100.0
687.39203	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	686.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	6.4
57.03433	2.6
57.06814	2.6
57.07078	31.5
61.02929	14.6
67.05506	15.6
69.03451	2.2
69.07072	6.7
69.64940	5.8
71.08635	27.0
73.02921	3.8
73.04729	1.6
75.04462	3.2
79.05495	3.5
81.03410	2.3
81.07060	22.5
83.04973	2.5
83.08607	9.6
85.02907	18.2
85.10183	18.7
86.09731	1.6
91.03969	15.4
93.07042	3.0
94.49994	1.3
95.08607	24.4
97.02903	8.4
97.06528	2.3
97.10186	8.9
98.23373	3.0
99.11741	1.4
103.46020	1.9
105.07069	2.6
107.04935	1.5
107.08604	2.5
109.10165	13.3
110.48802	1.3
111.11745	4.4
119.08576	2.9
123.11687	3.8
124.99988	1.9
125.05997	2.7
127.03951	5.5
131.08591	2.3
133.10109	1.9
137.13271	2.8
145.05009	7.4
145.05966	1.2
145.10155	1.6
163.06000	11.6
184.07321	3.9
186.07706	1.7
253.25281	16.1
271.26251	4.1
277.21567	1.9
295.22696	2.2
327.28940	100.0
328.29300	4.6
345.30008	46.5
346.30533	1.7
361.02612	2.1
686.40991	2.3
687.42987	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01854	0.7
55.05509	11.4
57.03003	0.6
57.03439	13.2
57.07074	1.4
59.04993	4.3
61.02930	5.0
65.03940	2.6
67.05504	100.0
68.05827	1.1
68.79503	0.7
69.03426	0.6
69.07070	7.9
71.04980	3.3
73.02921	1.7
77.03929	0.9
78.83569	0.7
79.05497	21.8
81.03405	1.0
81.07057	38.6
83.04992	0.7
83.08618	8.1
85.02903	5.0
85.06544	3.4
91.03969	1.9
91.05478	15.1
91.12080	0.6
92.05811	0.7
93.07044	26.1
95.04972	2.4
95.08605	28.1
95.09218	1.4
97.02892	2.5
97.06516	1.2
97.10174	1.5
98.22606	1.3
99.08114	0.8
105.04523	1.3
105.07046	7.3
107.08590	15.4
109.06521	1.5
109.10158	77.4
110.10480	1.0
111.08105	3.0
117.07018	2.7
119.08583	10.0
121.10142	11.4
123.08110	0.9
123.11699	3.4
125.09668	2.1
131.08572	5.8
133.10135	4.4
135.08096	0.8
135.11682	7.9
137.09618	2.9
137.13248	0.8
145.10130	4.3
147.11708	3.1
149.13261	3.7
152.98953	0.6
155.10666	5.9
156.92065	0.7
159.11705	3.4
161.13251	2.9
163.14816	2.9
166.67210	0.6
173.11769	13.2
173.13249	2.1
177.16371	0.7
187.14833	1.8
189.11328	0.7
204.82298	0.7
227.12785	2.9
229.14346	64.9
230.14688	1.2
243.21083	3.4
261.22131	12.8
317.24808	2.5
335.25803	52.5
336.26285	2.5
350.48355	0.7
365.37799	0.7
393.98386	0.7
397.30951	1.3
415.32346	0.8
489.35764	44.4
490.36017	2.5
492.27939	0.7
507.36761	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	686.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
54.28423	0.5
55.05255	0.7
55.05510	10.1
57.03435	11.0
57.07082	1.7
59.05007	3.2
61.02922	4.0
65.03938	1.8
67.05502	81.7
68.05828	0.8
69.03427	1.4
69.07059	7.0
71.04995	2.8
73.02908	1.0
79.05490	14.9
81.03439	0.7
81.07053	29.8
83.04990	0.6
83.08618	7.1
85.02899	4.5
85.06531	2.7
91.03932	1.3
91.05475	10.0
93.07042	18.9
95.04971	1.7
95.08602	22.2
97.02892	1.8
97.10149	1.4
99.08101	0.8
105.07024	5.2
107.08595	12.1
107.45641	0.4
109.06561	0.6
109.10155	62.7
110.10483	1.0
111.08105	2.6
113.09699	0.5
117.07017	2.0
119.08575	8.3
121.10152	8.1
123.11709	3.2
125.09636	1.1
125.27296	0.5
127.03825	0.6
131.08553	4.2
133.10118	3.6
135.11685	5.3
137.09570	2.8
137.13283	0.8
145.10075	3.6
147.11664	2.8
149.09589	0.5
149.13246	3.5
155.10649	8.3
159.11693	2.1
161.13281	2.1
163.14812	2.1
170.46423	0.5
173.11761	15.9
173.13263	2.4
177.16357	0.7
185.13358	0.6
187.14838	1.1
189.11276	0.6
191.14337	0.5
198.05534	0.5
227.12704	5.1
228.98906	0.7
229.14337	100.0
230.14658	2.7
243.21098	4.6
261.22131	16.0
262.22433	0.6
263.23709	0.5
279.22955	0.5
317.24774	2.5
335.25797	70.4
336.26123	3.3
371.74911	0.5
379.29745	0.5
397.31076	1.3
415.32025	1.6
471.34827	0.7
489.35745	42.3
490.35953	3.5
507.36841	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	686.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.5
55.05511	2.8
56.05033	6.8
57.03426	0.9
57.07079	4.5
60.04527	6.4
65.03944	0.5
67.05505	2.3
69.03427	3.2
69.07072	3.1
70.06593	1.3
71.08629	3.5
71.45699	0.7
72.04535	0.6
74.06071	0.7
74.41123	0.5
79.05497	1.0
81.03413	1.2
81.07058	3.5
82.06558	0.6
83.04964	2.4
83.08627	3.1
84.59594	0.5
85.02918	0.8
85.10188	1.5
86.06078	3.4
88.53303	0.4
90.50713	0.5
91.05447	4.0
93.07043	1.1
95.08616	3.4
97.10174	1.4
99.04426	0.5
105.07021	0.7
107.08586	8.0
109.10172	1.9
111.04457	0.8
111.11762	0.6
117.07005	1.1
119.08582	84.5
120.08936	2.3
123.11658	0.5
128.40932	0.5
129.05487	1.0
133.06487	1.6
135.08055	11.1
135.11705	0.8
147.06535	1.0
204.08380	0.4
212.23766	1.2
224.23714	0.9
226.25262	5.4
236.23804	1.9
237.22292	0.5
242.24788	18.2
243.04263	0.5
254.24786	12.9
255.25186	1.0
272.25839	100.0
273.26215	5.6
281.13815	3.6
351.59833	0.5
397.19702	0.6
415.21149	5.3
416.21481	0.7
418.86945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66407	0.5
67.42737	0.6
73.20423	0.5
86.53502	0.6
108.02555	0.5
118.37796	0.5
126.56203	0.6
129.76849	0.6
132.08096	0.6
144.08153	1.0
146.11729	0.5
166.08609	0.9
172.07536	0.9
183.09360	0.6
185.07091	0.6
195.09166	0.6
199.08850	1.0
207.09093	0.6
208.09810	1.3
209.10696	4.1
210.11491	1.2
211.12288	2.9
213.06569	0.8
221.10704	0.9
222.11523	2.0
223.08705	1.7
223.12137	4.2
224.09373	0.8
224.13062	3.7
225.10397	0.7
225.13805	3.3
226.14590	1.1
227.08208	1.0
235.12436	1.2
236.13185	1.2
237.10234	1.8
237.13849	9.9
238.14638	6.2
239.15382	3.5
241.09695	1.4
247.12404	0.9
247.66359	0.6
251.08380	0.7
251.11688	0.9
253.13400	1.4
255.07664	1.1
265.13403	6.8
266.14114	3.1
267.14816	3.4
269.09229	0.7
273.12454	2.0
282.13751	1.1
297.12555	1.6
300.15192	0.8
301.12204	0.8
302.13092	0.7
305.16516	0.7
309.12488	0.7
309.15884	1.3
314.16415	1.2
315.13361	2.8
325.15469	7.1
326.12875	0.7
326.16321	1.3
327.17123	2.2
328.14624	1.2
328.18225	1.1
335.14105	1.1
337.15637	0.7
340.14474	1.1
341.15283	0.7
343.12973	1.2
374.18982	0.9
386.18970	0.9
388.20239	2.0
400.16385	1.3
401.20816	1.3
402.21872	1.2
402.58826	0.5
404.23386	1.1
405.17572	1.0
407.18726	0.8
408.15829	0.8
409.20587	1.0
413.84973	0.6
414.18155	0.8
419.18948	1.0
421.20166	0.7
423.17917	1.3
430.20914	0.7
432.19257	1.0
433.20270	1.2
436.18784	0.7
437.19962	1.7
438.20721	0.9
459.17822	0.7
476.22980	0.7
479.20334	0.6
481.22253	0.7
482.23407	0.8
490.22849	2.2
491.23956	2.3
492.21613	0.8
493.22244	1.2
497.25327	2.4
506.23111	1.7
507.23795	2.5
508.22681	1.0
511.23273	1.1
521.25500	2.2
524.24274	1.4
525.25134	4.8
526.25464	0.7
535.23370	1.2
537.22314	0.7
539.26410	1.6
540.27271	1.7
549.25018	2.2
550.24866	0.7
552.23816	0.9
553.24402	1.7
567.25677	2.7
568.27472	0.9
577.24414	1.2
579.25787	0.6
581.24408	0.7
595.25806	3.4
609.27240	9.3
610.26361	0.9
611.28546	0.9
613.26422	1.2
623.15338	0.7
623.24890	2.4
626.01617	0.7
627.28131	25.0
628.28143	2.0
637.26654	4.0
645.29431	1.0
655.27588	100.0
656.28046	7.9
669.26416	1.2
687.29749	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	687.303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57448	1.9
59.78618	2.0
69.63212	8.2
79.05498	2.2
80.05043	2.4
81.07081	3.8
86.09702	5.7
93.07063	2.9
98.22742	3.7
104.10793	10.9
105.07056	3.7
120.04439	3.1
136.03938	14.3
145.06642	2.0
152.07187	2.2
168.86572	2.2
178.05019	21.2
184.07381	8.0
185.10864	2.8
188.03485	3.7
191.91893	2.0
193.04932	2.0
193.07524	2.4
196.09862	2.1
208.09918	2.5
209.10759	5.9
210.07668	6.4
210.11446	2.9
211.12337	2.4
215.56621	2.2
223.12300	10.4
224.13069	8.3
225.10222	3.4
225.13858	7.6
235.12390	3.1
237.13844	4.7
238.14789	3.2
239.98636	2.2
247.12750	3.4
249.10378	3.0
251.11734	4.2
253.09738	3.7
253.13451	5.5
265.13272	3.1
270.13724	5.7
277.06030	2.3
295.14316	3.7
298.13477	2.5
299.14520	2.4
300.15106	2.8
301.15762	2.8
311.13910	9.4
314.12967	3.6
314.16339	2.2
316.14481	3.5
316.18109	3.5
327.14114	2.1
328.14636	2.9
329.15170	4.4
338.67590	2.1
339.13541	3.5
342.12277	2.5
342.16055	4.0
344.17670	9.9
349.16870	2.3
354.12198	4.8
355.13269	3.3
368.13998	2.2
369.14658	8.0
370.15619	10.0
371.16119	5.1
372.17169	20.1
382.11865	4.6
384.17233	22.0
386.19025	3.6
397.14059	4.4
398.14999	8.0
412.16873	19.1
414.18124	8.2
430.17572	5.7
440.16061	59.7
444.19519	5.1
446.20609	5.4
448.22827	4.0
458.17142	100.0
459.17676	6.9
472.18805	12.7
490.20001	13.3
561.24585	5.8
563.22754	4.4
581.23907	3.6
587.22675	9.4
591.22552	4.3
595.25543	6.5
605.23810	12.2
611.28583	3.2
619.25348	4.2
623.25031	72.8
624.25146	6.6
637.26416	17.7
655.28058	18.1
669.41516	5.5
687.41425	21.9
718.75977	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.1
57.07069	1.5
59.04961	1.6
67.05508	19.3
68.05827	2.5
69.07074	2.2
79.05505	5.1
81.07057	11.7
83.08605	2.4
91.05484	2.9
93.07046	6.0
95.08622	7.9
105.07012	4.1
106.19049	1.5
107.08609	4.8
109.06586	1.9
109.10160	13.1
119.08613	2.5
121.10165	3.6
131.08656	1.8
133.10181	1.4
135.11681	1.7
145.10210	1.7
155.10667	1.6
173.11758	3.9
184.07376	2.1
229.14372	17.9
230.14722	4.3
231.72121	1.6
237.13998	2.8
261.22113	2.7
305.05469	1.8
318.30215	1.4
335.25806	11.2
336.26303	4.9
352.17480	1.4
365.17966	2.1
366.18744	1.9
367.19406	2.9
368.19376	1.4
376.17072	1.7
377.17929	1.8
379.19815	1.7
380.15997	1.8
381.16925	2.3
381.21237	2.2
393.21115	2.1
395.18692	3.5
405.17047	2.7
407.18979	2.9
409.20297	3.9
410.21243	4.1
411.21802	5.2
419.18375	1.8
420.19617	3.0
422.21198	2.5
423.21848	4.8
437.23987	2.3
448.18573	7.9
449.19849	1.7
453.23059	2.2
465.23270	2.4
467.24442	2.2
468.25555	7.2
475.17361	2.4
480.21201	11.5
481.22333	1.9
482.23215	1.8
489.35986	6.1
490.36041	4.4
493.18137	1.9
496.24829	5.9
497.25357	5.6
498.26190	13.7
509.21820	2.4
511.26666	4.4
512.27765	2.9
524.24359	4.2
525.25330	4.6
539.26801	4.8
540.27185	4.8
563.22577	3.8
567.25940	6.2
584.26312	3.6
585.27045	6.4
594.25037	11.5
595.25177	4.8
599.28192	5.0
612.25732	19.2
613.26398	5.5
623.24030	4.1
627.28064	27.4
628.28638	2.3
637.26520	5.9
655.17212	2.9
655.27618	44.5
656.28955	2.5
687.30188	100.0
688.30524	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	688.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44623	0.6
61.02911	1.7
69.03432	2.9
69.12009	3.1
71.04990	0.7
73.02888	1.5
79.05478	3.3
81.03405	1.0
81.07035	1.5
85.02901	18.3
85.03413	0.9
91.03961	0.9
91.05478	2.9
93.07043	8.8
95.04967	0.7
95.08595	1.4
97.02880	4.3
98.22709	1.4
100.11267	1.2
105.07016	2.6
107.08620	2.9
109.02866	1.9
109.10166	0.9
117.07002	0.7
119.04911	0.7
119.08565	5.9
121.10130	2.3
121.49639	0.6
123.04435	2.6
125.05944	0.9
127.03902	4.1
131.08484	1.0
133.10106	1.2
135.08099	0.9
137.05957	2.7
137.09630	1.5
137.85104	0.7
143.08574	1.3
145.04950	6.2
145.10110	1.9
147.08052	1.7
147.11694	1.4
149.05965	3.3
157.10121	2.7
159.11702	1.8
161.09656	0.9
163.03947	0.8
163.06009	3.1
163.07527	4.6
164.08324	15.6
165.09135	5.0
169.10155	1.4
171.11685	1.2
175.07582	1.2
181.10170	1.0
185.13304	1.5
189.09138	1.3
195.11693	1.6
197.13255	1.4
199.14758	1.6
209.13246	2.7
210.14957	0.6
211.14873	0.8
227.10719	0.9
227.14278	2.2
227.17923	3.9
237.12769	0.7
237.16393	3.4
239.17926	2.5
255.13826	3.3
255.17426	6.6
265.15900	1.8
283.16916	16.2
284.17313	0.7
301.17618	0.8
311.16333	3.3
317.79172	0.7
329.17444	100.0
330.17813	4.9
347.18500	15.8
348.18488	0.6
370.20117	1.2
490.89612	0.6
634.32385	0.7
679.51855	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.4629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79442	1.5
55.05510	12.4
57.03430	10.4
57.07072	3.1
59.04989	3.1
61.02924	4.8
67.05505	96.3
69.07069	12.4
69.37534	7.7
71.04985	3.4
71.08620	1.5
79.05489	7.2
81.07057	37.2
83.04975	2.1
83.08619	12.8
85.02917	3.2
85.06535	2.3
86.09705	3.5
91.05473	9.7
93.07042	9.2
95.08600	26.4
97.10139	4.3
98.22683	3.4
105.07013	5.0
107.08591	5.2
109.10156	73.5
111.08063	4.5
119.08566	6.7
121.10138	4.5
123.11700	3.9
133.10081	2.2
135.11659	3.7
137.09587	3.7
137.13286	2.1
147.11684	1.9
151.33284	1.6
155.10695	4.7
164.59239	1.6
173.11745	16.4
184.07367	7.5
223.04045	1.7
229.14345	100.0
230.14641	2.3
231.87914	1.4
245.22675	2.9
263.23621	4.7
337.27362	64.6
338.27615	2.7
491.37277	45.1
492.37424	5.5
509.37747	2.0
688.44873	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	688.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12772	1.8
52.74120	1.7
54.43401	1.9
55.05508	11.9
55.67593	1.8
57.03435	9.5
57.07080	3.4
59.05003	2.8
61.02917	3.7
63.72657	1.8
67.05505	100.0
69.07063	15.7
71.05013	2.0
71.08660	1.9
79.05481	9.8
81.07055	40.4
83.08614	15.2
84.14829	2.5
85.02905	4.1
91.03961	2.2
91.05476	10.4
93.07048	14.4
95.08611	30.6
97.06559	2.9
97.10161	4.9
105.07036	4.1
107.08608	7.1
109.10154	79.9
119.08570	8.9
121.10104	3.0
123.11691	5.3
133.10103	5.0
135.11728	2.5
137.13228	2.2
147.11703	2.0
149.29388	2.0
155.10654	6.6
163.14867	2.0
173.11749	16.7
229.14355	67.0
236.14241	2.0
330.28268	2.2
337.27362	57.3
338.27667	4.0
401.27435	2.0
491.37338	61.3
492.37704	5.0
680.36212	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13289	0.6
55.05507	0.6
57.07076	3.1
67.05505	1.0
69.99429	1.2
71.08639	3.4
73.71428	0.5
79.05482	1.4
81.07053	2.8
85.10177	1.8
85.57681	0.6
87.04439	0.6
89.06048	5.4
93.07039	0.9
93.85955	0.6
95.08582	0.9
98.23383	1.1
99.11722	0.6
102.09252	0.6
105.07075	1.0
107.08658	0.7
109.06524	1.0
119.08535	0.9
121.10085	0.9
131.08566	0.7
133.08635	4.5
157.10178	0.8
177.11234	1.7
275.20041	0.6
291.19641	1.0
383.11356	0.7
384.12354	2.1
385.12982	5.6
386.13782	1.4
397.13065	2.0
398.13770	8.0
399.14560	14.6
400.15454	19.5
401.16040	2.0
411.14664	2.7
412.15280	7.7
413.16116	19.2
414.16840	10.6
416.14801	1.3
418.17523	2.1
424.15381	1.2
425.16330	1.4
426.17633	3.2
427.12921	1.1
427.18100	17.0
428.18744	15.9
429.19473	13.4
430.19540	0.8
439.18225	1.3
440.14688	1.7
441.14731	7.6
442.16248	11.4
443.16904	1.8
444.13977	1.0
445.19171	1.2
446.17352	2.0
453.15338	0.7
454.16669	1.3
455.17172	38.1
456.17795	18.7
457.18420	2.7
458.15714	3.7
459.16736	2.5
460.17294	1.5
467.21323	0.9
469.14819	2.4
469.19794	1.5
471.17307	1.3
472.17914	1.3
473.18118	1.7
481.14969	1.6
482.15927	1.8
483.16675	29.2
484.16556	6.5
484.58521	0.8
486.18884	1.8
487.20328	3.8
488.16617	1.2
495.16562	2.2
496.17828	0.8
499.15988	7.0
500.16736	1.9
501.17981	1.7
509.14401	1.0
510.18826	0.6
511.20682	3.1
513.14093	0.8
515.19543	2.3
516.20288	1.4
523.15979	3.0
524.16559	0.7
527.15613	25.5
528.15851	8.1
529.16394	0.8
538.18280	1.2
539.19183	11.2
540.19653	2.0
543.22437	16.5
543.30408	1.1
544.22650	1.5
555.18811	1.0
568.17902	0.8
569.20453	1.0
571.21887	100.0
572.22198	11.7
573.19623	0.9
574.24414	6.8
586.20526	1.7
587.20990	2.1
601.22937	7.4
602.23700	38.6
603.23859	4.1
614.20831	1.0
614.32800	0.7
615.20984	4.0
617.26227	2.2
629.22437	30.4
630.22821	27.8
631.22766	3.1
633.25507	1.6
643.23816	2.5
657.21936	62.3
658.22211	7.4
661.25092	6.3
689.24524	26.4
689.41302	0.8
690.24994	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	689.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	0.6
67.05509	0.6
72.79678	0.5
77.90727	0.5
79.05513	0.8
81.07070	1.4
82.60265	0.5
104.67241	0.7
105.07028	1.2
131.08591	0.8
145.10237	0.8
173.13351	0.7
184.07323	0.7
301.21542	0.7
321.79324	0.7
384.12253	1.4
385.13760	1.2
397.12927	1.5
398.13773	8.4
399.14642	4.2
400.16208	7.6
401.16592	0.8
411.14606	2.2
412.15332	9.9
413.16144	12.1
414.16714	2.5
416.14856	1.9
418.17596	2.1
423.14243	1.1
425.16403	0.7
426.17441	3.1
427.17740	15.7
428.18701	15.1
429.19254	3.1
439.14114	0.7
440.14227	3.1
441.14999	4.3
442.16058	0.7
444.14081	1.4
445.18881	1.9
446.17377	1.7
453.15918	0.8
455.17181	45.4
456.17807	7.9
457.14661	3.1
458.15826	7.0
459.16748	3.6
466.14096	0.7
468.18970	0.9
469.15207	2.4
470.15744	1.0
471.16794	3.3
472.17587	3.5
473.18362	2.8
482.15820	1.0
483.16632	37.2
484.16818	5.7
486.19333	2.9
487.20050	8.7
495.17032	1.6
497.18161	1.3
499.16293	2.0
501.17923	2.3
513.18011	0.8
515.19244	5.1
516.20239	2.1
523.16205	2.4
527.15308	7.8
555.18683	3.1
565.90283	0.7
568.17633	0.7
569.20544	2.2
570.20758	2.1
574.24310	12.3
575.24323	1.3
587.21289	1.8
601.23047	9.3
602.23718	100.0
603.24048	11.4
629.22418	25.4
630.22705	4.2
633.25519	4.6
634.24664	0.7
643.24139	5.2
644.24121	0.9
657.21869	17.6
658.22046	2.1
661.25018	5.5
689.24457	9.0
689.39746	2.2
690.25470	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
56.62510	0.2
58.06611	0.4
60.08163	5.9
60.94263	0.2
67.05500	0.4
69.20141	0.4
69.20553	0.7
70.06599	0.2
71.07374	3.0
81.07050	0.5
86.09705	27.9
87.10049	0.3
90.57832	0.2
92.57331	0.2
96.93555	0.2
98.98463	3.3
104.10740	2.4
109.10187	0.3
115.69234	0.2
125.00002	19.9
125.09605	0.2
182.94798	0.2
184.07335	100.0
185.07710	1.8
217.80801	0.2
236.81384	0.2
279.07080	0.2
471.61853	0.2
505.72491	0.2
659.24127	0.3
690.43329	5.9
691.26599	0.2
691.42053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.4
55.16467	0.3
56.05030	0.7
56.49070	0.2
57.03428	0.6
57.07048	0.3
58.06599	0.4
60.07870	0.4
60.08165	6.4
67.05508	1.0
69.07071	0.4
70.53648	0.7
71.07378	3.3
79.05497	0.7
81.07048	1.1
83.08647	0.4
86.09708	31.1
87.10034	0.5
91.05476	1.0
92.88679	0.3
93.07039	0.7
95.04917	0.3
95.08598	0.5
96.37414	0.3
98.98468	3.5
104.10742	2.5
105.07017	0.5
107.04961	0.3
107.08588	0.7
109.10189	0.4
112.94314	0.3
119.08571	0.7
125.00006	20.6
125.09639	0.4
133.10167	0.3
145.10034	0.3
184.07344	100.0
185.07712	1.2
219.17432	0.5
232.98888	0.3
289.17941	0.6
293.21219	0.3
327.44955	0.3
349.23517	0.4
655.42102	0.4
682.60815	0.3
690.43549	7.9
691.42310	1.0
722.53735	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.2
67.05500	1.3
69.70188	2.2
79.05508	0.8
81.07085	1.4
85.06545	0.8
91.05477	1.5
93.07064	1.6
98.23374	1.4
105.07050	0.7
133.10187	0.8
135.11763	0.8
211.92496	0.8
219.17482	3.5
243.20296	0.7
278.56284	0.7
345.67752	0.9
349.23727	8.2
400.15686	1.7
416.14474	1.0
427.18124	1.5
429.15808	2.5
430.16541	3.9
443.16992	3.8
444.17896	2.1
445.18893	0.9
455.17310	2.0
457.19431	3.8
458.19647	1.8
459.20532	2.0
467.17249	1.3
470.12292	1.5
471.20792	1.0
483.17203	1.9
484.13995	3.4
485.19095	1.3
486.18076	1.1
497.18738	1.8
498.15173	1.5
499.16367	2.4
502.41611	0.8
511.16406	3.2
512.17169	2.5
513.17426	4.2
514.18445	2.5
525.17639	4.2
529.21521	0.9
539.16400	1.0
545.24103	1.8
555.18719	1.1
573.23309	2.6
585.20544	1.1
599.21332	1.3
600.22192	3.4
601.22821	11.1
602.22290	1.0
617.22510	3.0
632.25269	1.4
661.19922	1.0
676.23822	1.3
691.26080	100.0
692.26300	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	691.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14404	0.6
67.05481	0.7
69.25250	1.3
69.25659	2.2
69.32986	0.7
71.47376	0.7
94.05209	0.8
99.54086	0.6
119.59823	0.6
125.06042	0.6
129.50983	0.6
134.81644	0.8
225.16747	0.7
255.14401	0.7
258.41516	0.6
321.28894	0.7
387.15421	0.9
389.16238	0.9
399.15616	0.7
403.18051	0.8
404.18442	2.0
413.16095	1.1
416.14816	0.8
417.15646	1.9
421.19092	0.8
423.14780	1.0
426.17374	0.9
427.13754	1.4
428.14511	1.4
429.15656	5.3
430.16531	2.1
431.17615	3.4
432.18344	0.9
437.16684	0.8
439.18182	1.4
440.15097	0.9
442.16391	1.9
443.17361	2.7
444.18314	5.3
445.19189	5.7
453.15451	1.0
454.16064	1.0
455.13690	3.0
457.19247	1.5
458.20261	1.2
459.16864	2.9
460.17249	0.8
466.16522	1.2
467.17487	0.9
468.18616	1.2
469.14737	1.5
469.19989	1.0
470.15778	18.7
471.16205	6.3
472.17120	0.7
473.18497	1.3
474.19028	0.8
480.18018	1.0
481.19006	1.2
483.16635	1.4
484.17267	2.4
485.16882	1.3
487.16049	5.1
488.16608	0.9
490.22455	0.8
494.15741	0.9
495.16354	1.0
497.14978	7.8
498.15439	2.5
499.15744	1.4
501.17520	2.6
502.18509	25.2
503.18988	4.0
505.18967	1.0
509.17807	1.2
511.16531	2.1
512.16443	4.1
513.16656	4.4
514.17914	1.6
515.16187	2.4
521.18390	3.2
522.18677	1.4
523.15656	5.4
524.17242	0.9
525.17676	2.0
526.18457	1.9
527.19366	4.4
529.17004	0.8
530.17828	1.9
532.23108	0.9
536.16754	1.1
537.17853	0.9
538.18726	1.9
539.19293	1.9
544.19403	0.9
546.21136	1.0
550.18774	2.0
551.19263	9.0
552.19714	1.0
554.18439	1.1
555.18591	6.8
556.19666	1.9
557.20184	2.0
559.20935	1.1
561.23419	3.0
568.19824	3.0
569.19806	1.0
573.19312	1.0
574.20642	2.1
575.21558	1.4
583.21863	4.6
585.19965	4.0
586.20630	2.5
589.23120	1.5
590.23395	1.4
595.18225	9.4
596.18524	0.7
599.21313	1.8
601.19684	0.9
609.20270	0.9
613.19037	2.2
615.24854	2.4
616.21631	11.4
617.22186	3.5
619.22443	1.1
627.20850	23.7
628.21118	2.5
631.23932	10.7
632.24005	1.5
633.21747	1.3
645.21875	7.3
646.22363	0.9
648.24286	5.8
649.24969	9.9
659.23468	16.0
660.23407	2.0
668.23029	0.8
677.24628	1.0
691.25983	100.0
692.26129	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	691.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.6
68.44481	0.9
69.70541	4.1
79.05531	1.4
81.07039	1.0
93.07053	1.8
105.07037	1.0
107.08657	0.9
109.10132	1.0
126.03878	1.1
192.81203	1.1
513.18958	13.7
514.19922	1.6
541.17645	1.0
555.20422	4.2
573.21075	5.0
585.20978	2.1
599.22461	1.6
600.23499	3.5
601.24274	5.2
611.22784	1.9
631.25897	1.1
659.24738	27.8
660.25415	31.3
661.26160	11.9
677.93152	1.2
691.27319	100.0
692.27625	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	691.373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	15.9
69.07053	0.5
69.51955	1.3
71.95242	0.9
74.97606	0.4
97.96790	0.7
98.97546	0.6
105.00108	0.4
105.06947	0.5
110.97547	1.4
115.00721	1.5
122.97935	0.3
123.01176	0.8
127.00694	0.5
128.98589	2.0
129.02242	2.6
133.01666	0.6
137.02745	0.7
139.00610	0.5
141.02202	1.0
143.00157	0.4
145.01736	0.4
146.99609	1.0
147.03310	2.9
151.00674	0.5
153.02193	1.3
155.03783	2.3
155.27199	0.3
157.01694	0.7
159.03288	1.3
161.04813	0.8
165.04276	0.4
165.99326	0.3
167.00154	0.4
167.03767	0.8
169.01743	0.6
169.05348	0.4
171.03265	3.1
173.04852	4.5
175.02818	0.6
180.00998	0.3
180.72316	0.3
181.05315	1.4
183.03238	0.8
183.06927	0.7
184.04106	0.4
185.04849	2.7
186.01984	1.2
187.02795	0.5
189.04369	2.7
191.05893	1.4
193.03760	0.4
193.05331	0.5
195.06877	0.5
197.04828	1.0
199.02733	1.2
199.04543	0.4
199.06415	5.2
201.04355	0.6
201.07961	3.0
203.05908	3.5
209.04878	0.9
209.08490	0.4
211.06400	1.5
211.10004	0.9
213.04337	0.6
213.07986	3.0
213.16158	0.3
215.05931	0.6
217.07518	3.0
219.07111	0.4
219.09021	1.2
221.04904	0.4
221.08522	0.9
223.06422	0.9
225.07971	1.6
227.05925	2.0
227.09555	0.6
229.07463	3.1
229.11108	1.0
231.06996	0.5
231.09045	1.2
237.07954	11.9
239.09544	3.7
241.07462	1.2
241.11177	0.6
242.08276	0.4
243.09021	7.6
245.06995	0.8
245.10837	0.4
247.06346	0.4
247.08566	1.6
249.07933	0.8
251.09608	0.8
253.07536	0.7
253.11064	0.7
255.09032	100.0
256.09396	2.5
257.10681	3.2
259.08557	0.6
260.09604	0.4
261.10098	2.7
265.07462	2.1
266.10690	0.7
267.09030	2.9
269.10532	2.0
271.11960	0.4
273.10089	40.0
274.10501	0.8
277.07462	0.5
277.11057	0.7
278.08551	0.6
278.10690	7.9
279.08963	0.9
283.08533	5.2
285.10123	2.7
291.12668	0.4
295.08508	3.3
295.12186	3.1
296.09003	0.6
296.11850	0.9
297.10126	0.6
301.09451	2.2
305.14212	0.7
306.10162	0.4
312.11053	0.5
313.09494	1.6
313.13055	0.7
319.15845	1.0
321.17175	0.6
323.15320	0.9
329.14230	9.0
332.61746	0.3
335.15240	0.5
337.16754	0.8
347.15283	22.7
348.15842	0.9
365.16339	66.5
366.16727	2.4
370.16718	1.4
383.17398	36.3
384.17825	1.6
388.17841	1.9
401.18420	0.6
406.18994	8.0
407.19046	0.4
413.05252	0.3
440.19229	0.4
453.16052	0.4
456.18237	0.4
467.17139	0.4
468.18259	0.7
469.15234	1.1
480.18228	0.4
481.18588	0.5
483.16293	0.5
484.17566	0.5
485.21890	0.4
486.18906	0.4
495.20129	0.7
497.18509	0.6
509.17868	1.0
512.16949	1.0
513.18042	0.4
521.18207	0.4
522.19159	0.4
523.19696	0.5
524.16711	0.6
525.17468	0.7
527.19214	0.9
551.19568	0.6
555.18579	3.1
556.19086	0.6
565.21240	0.4
567.18829	0.5
581.20569	0.3
601.19647	0.7
609.19818	0.6
615.24554	2.7
616.22443	0.7
617.21985	0.4
627.20807	4.6
628.21069	1.3
645.22162	1.9
646.22046	0.6
655.35010	0.8
659.23535	3.8
660.24017	0.9
673.36194	4.8
677.24335	1.2
691.26764	2.7
691.37170	50.8
692.26556	0.5
692.37506	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	691.3872
Annotation	11-Demethylconoduramine
Peak:m/z	Relative Intensity
55.05512	0.6
56.21004	0.3
67.05499	1.9
69.07066	0.5
69.15757	2.5
79.05494	0.8
81.07064	1.4
86.09700	1.8
86.10165	0.5
93.07066	1.0
95.08600	1.2
98.22690	0.7
105.07081	0.8
107.08613	0.7
109.10175	0.8
116.32728	0.5
119.08607	0.9
125.00013	1.1
131.08601	0.5
139.64375	0.5
149.87119	0.4
166.73422	0.4
184.07359	6.1
185.04253	0.9
185.07780	1.0
191.12444	0.4
259.07886	0.6
287.13815	0.4
293.21042	0.5
347.09375	0.8
381.22321	0.6
426.90109	0.4
483.63153	0.5
495.62314	0.5
529.33453	22.5
530.33838	1.2
691.38708	100.0
692.39008	8.3
716.16113	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01893	0.4
55.05518	0.8
56.30915	0.3
57.03446	1.8
61.02925	4.9
67.05500	6.7
69.03438	2.6
69.07076	0.8
69.47860	0.3
71.04987	0.4
73.02916	3.7
79.05484	1.7
81.03432	1.5
81.07052	3.9
83.05004	0.3
83.08647	0.7
85.02899	5.3
87.04504	0.5
91.03960	3.9
91.05474	1.6
93.07041	2.8
93.07558	0.4
95.04969	0.5
95.08598	3.2
97.02896	4.4
98.22726	0.8
99.04477	1.2
101.02377	1.7
103.03922	0.5
105.07051	0.9
106.82103	0.3
107.08618	1.1
109.02880	0.8
109.10157	5.2
115.03941	0.7
117.07051	0.4
119.08608	1.0
121.10148	1.6
127.03912	1.5
128.21933	0.3
129.02367	0.3
131.08597	0.5
132.36311	0.3
133.10152	0.3
135.11752	0.6
145.05066	0.4
147.11687	0.4
149.13286	0.3
164.86722	0.3
173.11765	1.1
185.04274	0.6
195.09967	0.8
203.05258	0.6
229.14441	0.7
243.08362	1.7
259.17072	1.1
260.17422	1.0
335.25943	0.9
348.81403	0.3
355.18857	0.6
357.20505	1.0
373.23795	0.4
401.09668	0.3
413.17667	4.5
452.19522	0.4
497.31418	0.5
519.29346	8.3
519.37183	0.4
520.29419	0.6
594.30542	0.4
594.42676	0.4
594.52069	0.4
691.40240	100.0
692.40637	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34080	0.3
53.03944	0.9
55.01880	0.7
55.05511	1.5
57.03450	2.8
57.34489	0.4
59.05005	0.5
61.02931	7.3
67.05510	11.9
69.03432	3.9
69.07074	1.2
71.04999	1.4
73.02921	6.0
79.05491	2.5
81.03432	1.7
81.07059	4.9
83.08627	0.5
85.02913	7.1
86.87274	0.4
87.04510	0.6
87.83623	0.4
89.48781	0.3
91.03947	3.7
91.05461	2.0
93.07039	3.8
95.04990	0.5
95.08598	2.7
97.02898	5.1
97.06538	0.5
98.23428	1.0
99.04485	1.0
101.02401	2.5
103.03947	0.7
105.07050	0.8
107.08602	1.2
109.02895	0.9
109.10163	10.4
111.08109	0.5
115.03943	0.5
119.08625	1.2
121.10159	1.2
124.59389	0.4
127.03910	2.3
129.95262	0.4
131.08575	0.6
133.10104	0.5
135.11707	0.6
137.09668	0.4
145.05014	0.4
151.38191	0.4
155.10765	1.3
158.22748	0.3
173.11761	2.2
185.04315	0.5
195.09958	1.0
229.14432	1.2
243.08418	2.7
335.25812	0.5
336.78506	0.4
377.92334	0.4
413.17892	12.0
413.23395	0.8
519.29388	4.9
529.34393	0.6
549.90863	0.4
576.60681	0.4
691.40289	100.0
692.40637	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	692.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
65.44067	0.6
72.08156	7.6
75.92294	0.7
84.08136	1.1
89.03914	2.2
89.10803	4.3
115.08697	1.6
117.03383	8.4
135.04382	0.8
145.02850	46.1
146.03207	1.3
147.04424	2.9
149.06020	4.1
163.03896	1.2
177.05469	100.0
178.05812	2.4
232.53719	0.7
245.96169	0.8
248.12843	9.0
253.89374	0.6
265.15475	77.5
266.15790	1.0
267.41727	0.7
267.96909	0.7
273.02716	0.7
308.71255	0.7
310.18909	0.7
473.79123	0.7
643.41577	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05031	0.6
58.06591	0.6
60.07874	0.5
60.08165	6.5
61.02914	0.6
67.05511	1.8
69.07059	0.6
69.40318	1.5
71.07371	3.6
73.02900	0.4
79.05479	0.8
81.07041	1.3
85.02888	0.5
86.09705	34.0
87.10036	0.3
91.03925	0.3
91.05474	0.8
93.07046	0.6
95.08614	1.0
96.50863	0.3
97.02898	0.5
98.98465	3.4
104.10754	2.2
105.07067	0.4
107.08614	0.4
109.10165	1.7
118.42755	0.3
119.08630	0.4
121.06534	0.3
121.10137	0.4
125.00002	22.8
129.06953	0.5
184.07338	100.0
185.07661	1.2
243.08524	0.4
268.50232	0.4
291.19366	0.5
293.21295	0.4
413.17966	1.2
470.43680	0.3
521.30951	0.4
692.44977	6.1
693.41888	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	693.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.56408	0.5
61.49172	0.6
65.84608	0.5
69.20304	3.3
73.79946	0.5
80.34497	0.5
81.49961	0.5
86.90793	0.5
105.02429	0.6
125.26733	0.6
152.87439	0.6
243.84879	0.5
247.59218	0.6
315.67792	0.6
456.50024	0.6
693.34546	100.0
694.34882	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	693.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55354	1.2
55.05502	2.1
61.02922	2.0
62.15892	1.4
67.05511	6.1
69.03431	2.3
69.07074	1.8
71.99997	1.4
73.02922	4.0
79.05513	2.0
81.07072	4.7
85.02930	3.8
91.03951	1.8
91.05520	2.2
93.07058	2.5
95.08606	3.5
97.02898	3.2
109.10190	3.1
127.03950	2.6
161.09926	1.5
184.07376	2.5
226.40746	1.5
226.43369	1.6
243.08551	2.2
254.03241	1.3
307.03677	1.4
348.40668	1.4
360.93436	1.3
413.17969	3.8
494.12830	1.3
521.30829	6.0
550.93604	1.6
693.29047	3.4
693.41785	100.0
694.42267	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	693.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05479	2.3
57.03442	2.3
57.07040	1.6
61.02930	6.2
67.05503	10.2
69.03416	3.6
69.07059	2.1
69.23654	5.4
69.24079	4.2
73.02927	3.1
79.05499	2.2
81.07053	3.0
85.02916	3.7
86.09712	6.2
91.03963	4.5
91.05505	2.4
93.07059	2.4
94.33869	1.4
95.08589	3.4
97.02888	4.7
98.22736	3.4
109.10151	8.6
109.92323	1.4
124.99982	2.2
152.16046	1.5
173.11836	2.7
184.07329	10.6
185.07695	3.2
206.94998	1.5
241.87509	1.6
243.08444	3.5
244.07581	1.5
281.68942	1.5
309.81625	1.5
350.06769	1.7
413.17853	10.1
516.39508	1.7
521.31055	7.7
564.49274	1.8
693.41833	100.0
694.42297	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.05512	8.4
57.03437	4.6
57.07070	4.4
61.02930	27.2
65.03941	1.8
67.05509	49.0
68.05861	0.8
69.03421	3.5
69.07085	6.2
69.83942	1.2
69.84263	1.6
71.05000	1.9
71.08620	1.1
73.02926	7.9
77.03912	0.9
79.05498	30.3
81.03413	1.5
81.07060	58.8
82.07384	1.2
83.04961	2.0
83.08634	6.2
85.02910	27.9
85.06557	1.9
91.03956	25.1
91.05482	15.2
93.07045	44.5
95.04967	2.5
95.08610	41.9
96.08945	0.9
97.02898	13.8
97.06535	2.8
97.10160	3.5
99.04457	2.4
99.08110	2.3
103.03946	0.8
105.04522	1.0
105.07042	13.8
107.08599	28.5
109.06499	1.1
109.10159	24.4
111.08110	1.2
113.09674	1.3
117.07040	5.7
119.08584	12.6
119.66726	0.9
121.10151	28.7
122.10471	1.0
123.08039	1.3
123.11700	15.6
125.09640	1.3
127.03909	10.5
129.07019	0.9
131.08572	14.4
133.10107	9.3
135.11690	23.8
136.11981	0.8
137.09781	1.1
137.13268	6.6
138.08307	0.8
139.11185	1.5
145.04965	13.1
145.10135	13.9
147.11678	9.7
149.13272	16.5
150.13556	1.3
151.11192	1.1
151.14844	2.2
153.12750	1.6
155.76779	0.9
159.11687	11.5
161.13275	9.6
163.06020	26.1
163.14815	13.8
165.12761	2.5
165.90601	0.9
167.14267	0.8
173.13269	10.5
175.14842	2.7
176.09319	0.8
177.12738	1.2
177.16393	6.0
179.14311	2.4
187.14832	7.3
191.14383	1.7
201.16342	3.5
205.15926	1.6
215.18054	1.1
219.17348	1.1
233.22713	3.1
243.21085	38.8
244.21382	1.5
261.22141	100.0
262.22473	6.1
263.23755	2.4
279.23132	2.6
335.25790	19.4
353.26880	63.2
354.27271	4.3
497.31213	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	0.5
76.30419	0.3
77.31206	0.3
79.05492	0.6
80.89209	0.3
81.07057	0.4
83.04974	0.4
91.05479	0.4
93.07030	0.3
98.23446	0.6
105.07053	0.5
107.08588	0.4
108.16213	0.3
119.08571	0.4
121.10183	0.4
141.77353	0.3
157.10104	0.3
212.64314	0.3
307.70410	0.4
318.05951	0.3
428.38928	0.4
435.94067	0.3
535.15997	0.4
545.14459	1.3
546.15179	0.5
563.15479	4.8
564.15698	0.5
577.16663	0.6
578.17926	0.8
581.20721	0.5
605.20624	0.5
617.16638	0.8
621.19653	1.4
635.24432	1.1
663.23969	1.2
664.21429	6.7
665.22095	3.3
668.57086	0.3
695.23212	100.0
696.23431	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16794	0.2
67.05501	0.3
69.56648	0.8
79.05491	0.3
81.07048	0.4
93.07037	0.3
95.08622	0.5
95.28940	0.2
107.08610	0.3
119.08606	0.2
145.10158	0.2
162.42224	0.2
331.69205	0.2
398.79596	0.2
427.55695	0.2
545.14496	1.2
546.15082	0.5
563.15448	6.7
564.15912	1.1
577.17065	1.1
578.17810	0.9
581.20636	0.5
617.16693	0.9
621.19489	0.9
663.20770	1.1
664.21301	4.7
665.21991	1.3
695.23242	100.0
696.23523	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	695.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.4
57.45518	0.3
61.03341	0.3
65.03926	0.4
70.05060	0.6
72.08160	1.6
84.08142	3.5
91.05477	4.1
101.10777	0.9
102.09174	4.6
116.12169	0.3
119.04938	11.7
119.11826	6.8
145.02820	0.6
147.04405	100.0
148.04742	1.7
153.09923	0.3
160.99265	0.3
161.30243	0.3
164.07071	0.4
177.05466	1.3
218.11761	25.5
219.10265	0.3
219.12125	0.7
230.11745	3.3
247.14410	26.5
248.12599	0.5
265.15469	60.0
266.15765	1.9
307.02731	0.3
320.28781	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41352	1.1
55.05515	17.5
57.03447	6.1
57.07078	10.3
59.60374	1.1
61.02930	23.9
65.03932	2.0
67.05509	65.7
68.05824	1.3
69.03431	3.8
69.07070	25.3
70.62513	1.3
71.04988	2.2
71.08633	5.0
73.02919	9.8
75.04494	1.2
75.46784	1.0
79.05496	20.9
81.03411	1.7
81.07060	79.0
82.07381	1.8
83.05009	2.7
83.08623	21.0
85.02914	29.1
85.06546	5.0
85.10193	2.1
86.14859	1.1
91.03963	22.5
91.05489	14.3
93.07047	22.3
95.04979	2.6
95.08607	70.1
96.08921	1.2
97.02894	12.1
97.06536	6.3
97.10164	12.8
99.04482	1.5
99.08105	3.4
105.07015	11.0
107.08594	15.1
109.10164	33.7
111.08106	4.0
111.11710	4.6
113.09631	2.0
119.08579	10.4
121.10149	22.5
123.08062	1.8
123.11718	16.6
125.09645	1.8
127.03932	9.6
131.08572	2.1
133.10135	16.0
133.24724	1.0
135.11696	11.0
137.09599	2.2
137.13280	8.3
141.12766	2.8
145.04927	10.7
145.10092	2.2
147.11678	12.3
149.13271	11.7
151.14836	6.0
155.14337	3.1
159.11690	1.5
161.13278	13.2
163.06029	18.8
163.11240	1.3
163.14847	9.3
165.16391	8.9
167.10765	1.6
167.14362	1.4
175.14807	10.0
177.16454	2.1
179.14235	1.3
179.18011	6.1
181.12265	1.3
189.16457	4.1
197.13078	1.1
203.17879	1.6
217.19452	1.5
245.22656	59.6
246.23000	3.3
261.16589	1.2
263.23718	100.0
264.24066	4.8
265.25244	2.6
281.24664	2.6
337.27377	69.3
338.27750	4.5
355.28366	16.4
499.32397	5.0
696.40039	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
53.40134	0.7
55.01873	1.2
55.05515	13.3
56.18891	0.7
57.03439	6.3
57.07077	8.6
58.04973	0.7
60.05383	0.7
61.02639	1.5
61.02929	24.8
65.03941	1.8
67.05507	59.0
67.18233	0.7
68.05835	1.0
69.03432	1.8
69.06715	1.0
69.07074	18.8
69.70889	2.6
71.04988	2.1
71.08640	4.7
73.02582	0.9
73.02919	7.6
77.03895	0.7
79.05492	15.3
81.03415	1.4
81.07059	66.5
82.07381	0.8
83.04974	1.3
83.08622	15.7
84.46306	0.7
84.48881	0.7
85.02911	28.4
85.06532	2.6
85.10170	2.3
91.03959	20.9
91.05485	12.3
93.07047	19.8
95.04961	2.4
95.08611	58.3
95.64185	0.7
96.08921	0.8
97.02891	13.2
97.06527	5.5
97.10170	9.7
99.04472	1.4
99.08089	2.6
105.04466	1.1
105.07032	9.4
107.08603	13.6
109.02891	1.0
109.10161	30.3
111.08099	4.1
111.11720	3.2
113.09647	1.8
115.03910	1.8
119.08584	9.8
121.10152	20.0
123.10773	0.9
123.11709	18.7
125.09617	1.8
125.13317	0.8
126.83181	0.7
127.03915	8.7
127.11213	1.1
131.08537	1.1
133.10139	13.8
135.11696	11.9
137.09659	1.2
137.13274	7.0
139.11142	1.2
139.14987	1.0
141.12747	2.6
145.04984	12.6
147.11694	8.1
149.13268	9.3
151.14824	4.7
153.12669	0.8
155.14302	2.3
161.13269	11.0
163.06027	23.6
163.14844	10.4
165.12779	1.1
165.16409	8.5
165.96210	0.8
167.14247	0.8
175.14809	8.9
177.16360	1.9
179.14421	1.1
179.17918	7.1
181.15855	1.2
189.16368	4.5
203.17940	1.1
207.17351	0.7
217.19557	2.0
220.31813	0.8
242.84053	0.8
245.22661	60.2
246.22968	2.1
263.23712	100.0
264.24039	4.1
265.25351	2.7
281.24777	2.2
299.16174	0.7
337.27371	42.0
338.27762	2.0
355.28378	12.5
499.32458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68509	0.8
54.36498	1.1
55.05512	5.9
56.05038	3.1
57.07066	1.4
65.03951	1.7
65.79849	0.9
67.05503	42.3
67.43224	1.1
69.07076	4.1
71.04997	1.2
71.07369	12.5
79.05479	5.7
81.07056	18.3
81.07497	1.4
83.08639	2.8
86.09705	61.4
87.10026	1.4
91.05460	6.4
93.07038	6.4
95.04986	1.5
95.08613	11.4
98.98488	1.3
105.07066	2.5
107.08617	4.1
109.10159	23.1
109.10888	1.5
111.08098	1.1
113.23006	1.0
113.79369	1.0
119.08607	2.6
121.10168	2.1
123.11701	1.1
125.00069	1.9
131.08609	1.1
133.10164	2.0
135.11652	1.2
145.10255	1.0
146.98175	36.5
147.11749	1.4
163.11223	1.3
184.07327	6.3
186.07799	1.0
210.80270	1.1
275.20099	1.2
474.84793	1.1
491.37433	1.8
513.35486	100.0
514.35809	6.8
520.04840	1.1
621.48169	1.0
637.34711	65.6
638.35175	5.8
696.42157	42.2
697.42676	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.2
52.00891	1.0
52.29079	1.0
53.03946	3.2
55.01871	2.9
55.05515	28.1
55.73233	0.9
57.03181	1.2
57.03441	15.7
57.07072	3.2
61.02933	1.7
65.03937	3.5
67.05508	77.7
67.92129	1.1
68.05825	1.8
69.03426	2.4
69.07069	26.2
69.25979	5.5
71.04991	3.1
71.08619	1.2
74.97363	0.9
77.77575	1.0
79.05497	52.6
81.03423	1.8
81.07060	100.0
82.07420	1.1
83.04996	5.1
83.08616	15.8
85.02899	1.5
85.06548	5.5
86.09706	1.6
91.05480	45.1
93.07049	62.4
94.07384	1.8
95.04977	9.4
95.08611	60.4
96.08967	1.6
97.06548	6.8
97.10177	4.5
99.08112	3.1
103.05441	2.0
105.04540	3.6
105.07032	50.0
107.08592	36.1
109.06543	3.3
109.10156	20.2
110.10484	1.1
111.08089	4.3
111.11755	0.9
117.07017	13.4
119.08588	39.4
120.08925	1.6
121.10155	27.9
123.08060	1.4
123.11714	8.1
125.09631	1.9
129.07004	6.3
130.07791	1.7
131.08574	26.4
132.08978	1.6
133.09148	2.2
133.10121	21.7
135.08095	1.4
135.11682	15.8
137.09633	2.2
137.13242	2.6
139.11203	1.4
141.06985	1.8
143.08545	8.5
145.10124	22.7
147.11688	24.3
148.11928	2.2
149.09645	1.9
149.13245	10.2
151.11214	1.1
155.08560	2.1
157.10152	7.6
159.11700	15.2
161.13269	10.3
163.11206	2.3
163.14847	3.8
165.12793	8.0
169.10135	2.6
171.11662	6.5
173.13268	11.4
175.14752	6.2
177.12712	2.5
179.14326	1.3
181.10188	1.2
183.11702	2.5
184.07407	3.2
185.13277	6.6
187.14809	6.5
189.16441	2.5
191.14304	2.0
197.13367	2.4
199.14810	4.5
201.16344	3.0
203.14453	1.4
203.18022	1.8
211.14812	2.2
213.16489	2.4
215.17929	1.8
225.16371	1.4
231.17381	1.1
235.16983	1.4
239.16399	20.4
239.18515	1.7
241.14420	1.4
241.17699	6.5
243.21136	1.1
245.19061	1.6
259.20477	6.0
261.18576	1.4
261.22134	5.1
271.20435	1.3
273.22015	1.5
275.20081	2.0
277.21527	1.8
285.22079	1.9
287.23495	2.6
293.21252	1.0
297.21967	1.3
299.23666	3.2
301.21732	1.6
301.25171	1.3
305.20990	1.4
313.25189	3.2
315.23111	1.9
317.24759	1.6
319.22943	1.5
327.26813	1.4
333.24240	3.6
335.25787	27.3
336.26300	2.4
347.26065	1.8
351.25464	1.1
361.27243	1.1
371.25424	1.2
391.28629	1.9
405.30008	2.8
407.32956	3.8
412.15604	1.2
419.31512	1.3
425.34143	15.9
426.34531	1.3
441.19345	1.3
443.35312	7.5
447.30807	2.0
449.07993	1.0
469.18546	2.5
481.36426	1.9
499.37872	25.4
500.38150	1.5
501.35703	2.8
513.17566	1.8
517.38928	50.9
518.39032	4.4
615.24176	1.2
697.24725	24.3
697.42896	10.9
698.24939	7.3
698.42609	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42229	0.6
53.03903	1.2
55.01811	2.2
55.05458	4.9
55.05740	1.2
57.03379	3.5
61.02862	13.9
61.03200	1.2
64.41993	0.5
65.03897	0.9
67.05440	9.2
67.39370	0.5
69.03365	4.8
69.06707	0.5
69.07003	6.0
70.05103	1.7
71.04927	2.1
73.02917	5.7
77.03889	0.6
79.05495	11.9
81.03411	4.4
81.07059	26.5
81.07491	1.5
83.04919	1.8
83.08624	3.1
85.02909	9.3
85.06498	0.9
87.82928	0.6
91.03965	6.9
91.05482	15.7
93.07049	9.9
95.04973	9.6
95.08627	6.0
97.02895	8.9
97.06453	2.2
97.10175	3.5
99.08046	0.8
101.02295	1.1
105.04464	0.7
105.07029	8.3
107.04964	5.3
107.08598	8.0
109.02842	1.5
109.06529	4.5
109.10165	5.0
111.07996	1.7
115.05376	1.2
117.07039	5.0
119.04990	3.7
119.05674	1.1
119.08588	11.6
121.06514	6.0
121.10156	4.4
123.04437	3.2
123.08080	4.5
125.09631	3.1
127.03854	1.1
128.06134	1.0
129.07033	2.9
131.08575	6.4
133.06488	4.1
133.10175	4.0
135.04320	2.6
135.08049	3.7
135.11612	2.4
137.05983	22.9
137.09544	1.6
139.11017	0.7
142.07654	0.6
143.08554	2.7
145.06390	2.2
145.10121	6.5
147.04407	4.8
147.08041	6.7
147.11591	1.5
147.12695	0.6
149.06006	3.1
149.09613	4.6
149.13188	0.9
151.07469	1.1
151.11082	1.0
154.08580	1.7
155.08572	0.9
157.06381	1.6
157.10130	2.8
159.08061	3.1
159.11597	2.4
161.05991	8.1
161.09622	6.5
161.13185	1.2
163.07532	3.1
163.11179	4.6
164.14091	0.6
165.05482	0.7
165.09108	1.0
165.12692	0.7
169.10071	0.8
171.07970	1.1
171.11612	1.8
173.05951	3.4
173.09607	1.3
173.13170	0.8
175.07561	4.2
175.11108	2.5
175.14711	0.7
177.09027	1.4
177.12726	1.3
185.09595	0.9
185.13193	1.5
187.07541	4.3
187.11119	0.9
189.09047	3.0
189.11122	1.5
189.12695	1.1
191.06924	0.8
193.12201	1.8
195.11565	0.7
199.07440	1.1
199.11189	1.2
201.09019	1.0
201.12439	0.7
203.10687	1.2
205.12141	1.1
211.13147	0.9
213.09132	1.0
213.12706	0.8
215.06960	0.6
215.10672	0.9
217.12132	0.8
219.50700	0.6
223.13246	1.5
225.12711	0.7
227.10620	0.8
227.17906	1.1
229.08572	0.8
231.13811	0.9
239.09047	0.9
245.19006	2.2
249.14812	1.2
255.17366	1.6
257.15402	1.3
267.13745	1.1
273.15530	1.2
273.18484	21.3
274.18811	1.1
285.14847	3.4
291.19562	15.4
302.17468	1.7
303.15833	3.6
322.69781	0.8
329.17599	0.8
341.17514	1.7
347.22058	1.5
359.18478	0.9
365.23505	3.0
409.23749	1.4
420.23871	0.7
427.24994	2.3
483.27188	0.9
500.29623	1.1
501.28500	2.5
518.31195	12.4
519.30237	2.3
536.32196	100.0
537.32373	8.0
578.32788	0.9
614.33203	1.9
644.34253	2.6
662.34967	5.2
663.35724	0.9
680.36603	7.6
698.37445	84.1
699.37805	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	698.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38403	1.8
53.67879	2.0
54.71923	2.0
55.05516	9.1
57.03442	3.4
61.02920	14.8
65.03944	2.1
67.05507	9.8
69.03438	4.9
69.07063	7.1
70.06607	2.2
70.34405	3.6
73.02920	6.4
79.05500	14.8
81.03427	5.3
81.07047	22.9
81.07430	2.2
83.08625	3.0
85.02908	12.8
91.03970	4.8
91.05467	14.9
93.07042	10.6
95.04971	9.2
95.08611	6.4
97.02896	6.6
97.10199	3.9
98.47105	2.0
99.08098	2.2
105.07037	8.6
107.04979	5.3
107.08609	5.9
109.06515	6.4
109.10111	3.6
110.31000	1.8
111.08112	2.4
117.06997	4.8
119.04957	6.2
119.08562	13.5
121.06512	6.1
121.10156	6.4
123.04460	3.3
123.08070	4.3
125.09636	4.7
126.28003	1.9
129.06990	3.5
131.04929	3.1
131.08577	7.6
133.06497	3.8
133.10141	3.4
135.04440	5.3
135.08046	4.1
137.05994	29.3
143.08597	2.6
145.06424	2.9
145.10133	8.0
147.04442	5.2
147.08095	5.6
147.11630	2.6
149.05984	3.9
149.09639	7.4
157.06599	2.3
157.10136	2.6
159.08020	2.5
159.11679	2.5
161.05998	8.5
161.09615	9.5
163.07689	2.6
163.11179	4.9
173.06059	3.9
173.09639	1.9
175.07582	6.4
175.11162	2.3
187.07568	5.1
189.09192	4.7
215.10704	2.4
237.16592	2.9
246.41818	1.9
273.18484	25.6
285.14993	4.0
291.19580	9.2
365.23322	5.4
409.23718	2.2
420.23727	2.2
500.29791	2.4
518.31067	11.2
536.32172	100.0
537.32538	8.1
625.93341	2.3
662.35364	4.7
680.36334	7.6
698.37415	86.0
699.38135	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	698.4324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37156	1.1
53.03934	1.2
55.05515	26.6
57.03445	7.1
57.06824	1.2
57.07083	15.3
61.02931	30.1
67.05162	2.2
67.05509	34.2
69.03417	3.1
69.07072	42.6
69.25284	5.4
71.04990	2.1
71.08633	7.3
73.02926	8.6
75.04485	1.5
79.05501	15.0
81.07063	41.5
83.08630	31.4
85.02913	29.0
85.06573	1.9
85.10168	5.2
91.03963	27.7
91.05473	2.0
93.06521	1.9
93.07051	21.7
95.08617	44.5
96.08968	1.4
97.02906	16.1
97.06540	7.2
97.10168	23.6
99.04478	1.8
99.08114	2.0
107.08604	18.1
109.10159	20.6
111.08091	5.1
111.11715	5.4
113.09689	1.5
115.03938	2.0
121.10153	41.8
123.11712	8.1
125.09628	3.9
125.13267	3.6
127.03933	9.5
129.09084	1.5
135.11700	32.0
137.13268	4.5
139.11179	2.5
140.78455	1.2
141.12737	1.4
145.04977	17.4
149.13280	13.1
151.14807	4.5
153.12749	1.7
161.32193	1.2
163.06024	29.6
163.14803	5.2
165.16376	4.3
167.14328	1.2
169.15881	1.5
177.16420	2.9
191.17944	2.4
205.19336	1.0
213.18457	1.3
215.05789	1.0
247.21651	1.6
247.24229	35.2
265.25284	100.0
266.25629	4.1
283.26324	20.6
339.28952	89.2
340.29385	3.4
357.30008	85.9
358.30249	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	698.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.1
55.01871	0.8
55.05512	25.1
57.03444	8.3
57.07078	18.0
61.02927	26.4
65.03927	1.2
67.05505	36.1
69.03428	3.5
69.07068	48.8
71.04994	3.2
71.08630	10.1
73.02915	9.2
73.06531	0.8
75.04467	3.0
79.05040	1.0
79.05493	17.2
81.03413	1.8
81.07056	45.0
83.04978	1.2
83.08620	41.0
85.02905	29.6
85.06525	2.6
85.10177	7.0
89.44632	0.6
91.03954	26.1
91.05473	1.9
93.07040	23.3
95.04967	1.5
95.08607	45.9
97.02895	14.8
97.06532	8.2
97.10169	26.1
97.10818	0.9
99.04446	2.0
99.08076	2.7
99.11686	0.9
105.06939	0.7
107.08597	17.8
109.02893	1.2
109.09418	1.2
109.10159	22.2
111.08090	5.7
111.11716	10.1
113.09644	1.1
115.03938	1.0
115.07497	1.0
121.10143	41.5
122.10472	0.9
123.11702	8.2
125.09605	2.6
125.13245	1.7
127.03909	9.2
127.11188	1.1
129.09091	0.7
129.59470	0.5
135.11694	32.1
137.13246	3.9
139.11209	3.7
143.14331	1.2
145.04971	12.3
149.12105	1.1
149.13255	14.6
151.14812	5.0
153.12708	2.9
163.06027	20.9
163.14821	6.4
164.06363	0.7
165.16406	4.7
167.14282	2.1
167.55229	0.6
177.16406	3.5
181.15846	1.0
185.15346	0.9
191.17986	2.4
195.17352	0.7
202.98100	0.8
205.19632	1.4
227.19943	0.8
247.24203	37.4
248.24503	1.4
265.25269	85.9
266.25534	4.1
283.26334	19.6
324.29123	1.0
330.98367	0.6
339.28934	100.0
340.29187	4.2
357.29980	67.2
358.30298	3.0
486.66483	0.8
501.34323	4.9
596.30902	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.302
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.9
55.05517	4.0
57.03434	5.2
65.03927	0.9
67.05506	10.6
68.05844	1.6
69.07063	4.1
69.12777	4.3
70.07430	0.8
70.13768	0.8
75.04487	5.8
79.05495	10.8
80.05843	1.8
81.07053	10.9
81.07495	1.0
81.98237	0.7
82.07404	2.1
83.04992	0.9
83.08623	2.2
85.02913	0.9
86.09708	5.0
91.05499	5.4
92.05820	1.1
93.07047	9.0
94.06590	1.0
94.07392	2.4
95.04977	2.0
95.08611	9.3
96.08947	2.5
97.06538	1.4
98.23461	1.4
98.77953	0.8
105.07043	5.3
106.06615	1.6
106.07331	1.2
107.08588	5.0
108.08942	1.4
109.10185	4.7
117.07040	1.2
119.08557	3.9
120.08115	1.2
120.08929	0.9
121.10153	5.8
122.10507	1.3
123.11727	1.3
124.93788	1.1
125.00014	2.2
131.08588	2.9
132.08940	1.4
133.10204	2.0
134.06030	7.3
135.11728	2.2
136.12045	0.9
139.11195	0.8
141.05846	0.7
145.10139	2.3
146.10495	1.2
147.11687	2.1
149.13321	2.3
156.08067	0.7
159.11729	2.2
161.13269	1.8
165.12717	1.4
167.10773	0.9
173.13260	1.5
178.05045	0.7
184.07344	15.1
184.08838	0.8
185.07402	1.5
186.07739	0.8
188.15121	0.7
211.08559	0.8
211.12383	1.0
221.21178	0.7
223.08711	1.1
223.12221	0.8
225.10292	0.9
229.14352	2.5
229.57898	0.7
235.12482	0.8
237.10257	1.1
237.13757	1.0
239.11867	1.1
239.16548	1.1
240.12735	1.5
241.14421	6.2
242.14813	2.2
249.10446	1.5
251.11977	1.0
253.13448	1.5
255.14954	1.4
261.22186	1.3
262.22485	0.9
263.11929	0.7
265.09747	0.8
267.14911	1.0
279.15030	0.8
297.12613	0.9
300.11288	1.0
305.51465	0.9
306.28577	1.0
314.13040	1.9
316.14893	0.9
324.10901	1.1
325.12228	1.5
328.10855	1.2
330.12543	0.8
335.25787	5.1
336.26093	3.7
338.12949	1.3
339.13647	0.8
340.10965	1.1
341.11319	0.9
342.12363	2.1
344.14243	0.8
352.14590	1.1
354.12210	1.8
354.16275	1.0
356.13846	1.1
363.09952	1.7
366.12454	1.0
368.14096	1.2
370.11945	1.0
372.13385	0.8
380.13983	1.5
383.12323	0.9
398.15265	0.9
401.14319	1.0
415.15472	1.3
416.16452	1.7
417.17194	2.1
426.14954	1.4
443.14795	1.4
445.16080	1.6
457.16571	0.8
458.17200	2.2
460.18732	1.1
461.19925	1.1
472.19666	1.1
473.19614	2.4
474.20914	1.3
477.19156	1.4
484.19067	1.1
486.16855	1.2
487.21509	2.1
488.22525	1.0
489.19385	1.3
489.35587	1.7
490.19809	1.5
491.20709	2.3
500.18542	0.9
500.38501	1.3
501.19113	3.1
501.35583	5.0
502.36206	9.4
505.18277	0.9
505.22690	1.2
506.22684	1.0
515.20953	3.8
516.21387	2.8
518.19763	2.3
518.39099	1.8
519.39478	2.7
521.21777	1.4
528.17914	1.4
532.20819	1.2
533.21521	2.9
537.25171	1.0
543.20386	1.4
547.23657	4.7
548.23956	2.0
549.21930	1.0
559.19568	0.9
560.20374	1.3
565.23853	1.0
573.24091	1.1
575.23291	2.1
579.25873	1.0
592.23114	3.5
593.24072	1.6
596.22156	1.9
607.25739	3.5
617.23871	7.4
625.26440	2.2
635.25073	14.1
636.25354	1.1
639.28253	4.5
649.26526	17.1
650.27167	2.0
667.27600	100.0
668.28088	13.2
681.28851	2.9
699.29816	46.6
699.43787	9.8
700.29974	5.3
700.44708	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65350	0.7
67.05495	1.1
79.05486	1.5
81.07053	1.1
95.08591	1.1
98.23651	1.3
108.75853	0.8
118.06521	0.9
196.09924	0.9
196.85533	0.8
209.10585	1.1
210.11400	0.8
211.12146	1.1
221.10721	1.0
222.11479	1.1
223.12315	2.3
225.13930	1.7
235.12204	1.7
237.13817	3.5
249.14023	0.9
253.13574	1.0
265.09952	1.1
295.14420	1.9
354.12360	1.2
415.15179	2.1
417.16714	1.2
425.13248	1.0
426.14868	0.9
429.17044	1.9
431.18655	1.2
441.16739	2.0
442.14520	1.0
443.14880	2.7
444.15332	1.0
445.20749	2.0
456.20145	0.9
457.16385	2.3
458.16809	2.4
459.17636	2.1
461.19342	1.6
471.22595	3.9
472.18839	1.9
473.19778	5.8
474.19919	1.7
475.21463	1.2
485.16119	2.2
486.17072	1.2
487.22009	7.1
488.22290	5.6
489.23056	1.2
491.20160	1.3
499.21042	3.4
500.18344	1.1
501.19083	10.9
502.19971	4.0
505.19165	1.4
515.20789	14.8
516.21423	13.1
517.21985	3.4
519.23651	2.5
531.23584	1.1
533.21777	5.4
543.20044	2.9
547.23608	5.4
575.22961	9.4
579.25690	2.4
593.24048	0.9
607.25134	5.2
635.25031	100.0
636.25293	11.1
639.28241	1.7
649.26532	2.1
667.27448	6.0
668.28040	1.3
699.29565	3.3
699.42377	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07653	0.2
69.72481	0.5
69.72865	0.5
70.55083	0.3
79.00923	0.2
88.10096	0.2
98.22655	0.4
109.05058	0.2
151.30145	0.2
185.04305	1.0
203.05295	2.2
259.07913	1.6
280.09976	0.2
305.08554	0.3
347.09409	1.5
365.10596	3.8
388.07312	0.2
421.13232	1.0
537.30353	23.0
538.23914	0.2
538.30762	1.4
612.58136	0.3
699.35602	100.0
700.35907	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	699.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75915	0.2
65.10492	0.2
69.29878	0.6
69.30289	0.4
86.09681	0.3
96.75910	0.2
114.36134	0.2
156.48853	0.2
185.04263	0.6
203.05380	0.3
259.07819	0.4
347.09546	1.5
375.24747	0.3
450.10931	0.2
480.68802	0.2
500.90100	0.2
536.18304	0.3
537.30328	23.5
538.30737	1.3
585.95642	0.3
601.45386	0.2
660.56610	0.2
666.75378	0.2
699.35571	100.0
700.35803	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	699.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39638	1.0
53.88569	1.1
55.05516	1.6
56.28063	1.1
56.96567	12.5
58.28835	1.0
69.61021	3.7
70.54398	0.9
86.09716	0.9
92.78583	0.9
97.96832	1.0
98.23412	1.3
108.60197	0.9
110.97587	2.2
128.98611	1.8
144.76657	0.9
146.72089	1.0
171.03285	1.3
173.04807	1.9
185.04842	1.8
191.91394	1.0
199.06447	3.9
201.08022	1.2
203.05843	1.8
211.06412	3.6
213.07954	7.1
217.07455	6.2
219.08908	1.6
225.08076	4.0
229.07478	34.7
231.09106	7.0
237.08069	1.4
239.09613	2.0
241.11108	6.6
243.09081	2.7
247.08524	22.3
251.09564	4.4
252.09048	2.0
253.11221	1.3
255.09079	3.6
257.07040	1.7
257.10672	1.6
258.07736	2.0
259.12180	5.7
261.09900	1.2
269.10614	28.2
270.10965	1.6
273.10159	1.3
287.11700	10.1
292.12119	2.1
315.16089	2.3
333.17386	19.4
334.13351	2.5
351.18439	35.9
369.19608	100.0
370.19778	4.3
374.20032	3.2
375.21100	6.5
387.20541	75.1
388.20853	4.3
410.22226	13.3
450.40555	1.2
515.49207	1.3
520.02954	1.2
598.58539	1.2
670.55859	1.1
681.41376	1.4
699.43701	29.4
700.43750	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	700.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65182	1.0
55.01859	1.7
57.48731	1.0
61.02921	1.4
61.43658	1.2
69.03419	4.5
81.03404	2.1
85.02906	9.4
89.85619	1.2
91.05477	3.5
94.04182	2.8
96.11679	1.1
97.02885	3.2
99.00635	1.1
103.05453	5.2
105.07037	3.5
107.04978	1.1
109.02856	1.4
109.06472	1.3
111.39889	1.1
115.05482	1.3
117.07027	1.9
119.04881	1.6
119.08562	4.0
122.03654	4.9
126.69003	1.1
127.03957	1.4
128.06186	1.7
129.07008	3.2
131.04936	11.1
132.05727	2.3
133.06494	2.9
137.05983	100.0
138.06331	1.9
145.06537	1.5
146.03683	1.4
147.08061	4.6
149.05994	1.5
159.08092	1.9
160.05107	2.2
161.05974	11.7
163.07556	22.5
175.07552	59.0
176.68666	1.2
177.09103	1.4
185.92474	1.2
187.07475	6.1
189.09097	1.6
190.07816	1.5
191.08574	5.5
199.07578	7.4
201.09132	2.7
203.08530	3.2
219.08099	8.4
219.88611	1.0
231.08127	2.5
232.08801	2.3
247.07474	3.1
248.08389	1.5
250.70047	1.4
251.10703	15.1
259.07443	2.7
263.10678	3.2
273.09048	1.1
276.07748	2.0
279.10184	10.6
280.10812	1.9
291.10257	6.4
292.10941	3.0
296.10440	1.2
311.09280	2.4
311.12759	39.0
323.12805	24.7
325.14313	8.9
341.13831	7.0
503.18948	1.9
604.63666	1.4
699.52344	2.5
700.52972	1.4
720.80054	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90343	1.1
51.58239	1.3
51.66111	1.2
55.05509	4.7
57.03440	4.5
57.07082	41.5
61.02687	1.2
61.02938	15.2
62.16668	1.1
62.76299	1.3
67.05522	11.2
69.03424	2.7
69.07076	9.3
69.33045	5.7
71.08635	36.6
73.02921	5.3
75.04465	3.7
81.07065	21.0
83.08613	10.2
85.02903	16.6
85.06574	1.5
85.10192	24.0
86.09702	5.1
91.03970	16.4
91.05500	1.6
93.07037	1.2
95.08614	29.8
97.02897	8.5
97.10170	10.2
98.22688	2.0
98.34723	1.2
99.11741	1.3
105.95937	1.3
109.10159	15.5
111.11720	5.0
123.11723	4.9
125.00027	3.3
125.13200	1.5
127.03928	7.6
137.13226	2.5
145.04962	7.9
146.72903	1.2
163.06010	13.1
184.07364	15.6
193.72368	1.2
249.26019	1.6
251.39328	1.4
267.26859	22.2
285.27917	4.0
341.30521	100.0
342.30878	6.4
359.31567	39.5
359.34943	0.8
360.31744	3.1
592.51312	1.4
623.24994	1.5
668.28015	2.7
669.28546	2.4
700.44647	10.3
701.45905	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05685	1.0
55.05508	2.5
60.08160	1.8
67.05496	2.2
71.07382	1.8
79.05503	1.8
79.77435	1.0
81.07066	2.8
82.92191	0.9
83.08601	1.3
86.09706	13.3
87.10046	1.3
91.05461	1.3
93.07044	2.5
95.08601	2.3
97.10186	2.5
98.98489	2.4
105.07035	1.3
107.08607	1.9
115.46093	1.1
119.08549	1.2
121.10137	1.1
125.00000	10.1
125.09615	2.6
144.08139	1.2
151.73167	1.3
184.07346	47.9
185.07646	3.3
211.12401	1.2
216.06577	1.2
220.10072	1.2
223.12358	1.6
227.12769	1.9
229.09766	1.1
235.12350	1.6
237.10188	1.4
239.11871	1.7
245.13921	3.4
249.10196	2.0
250.11084	2.0
251.11824	2.5
253.13326	1.3
261.10281	1.2
263.11948	2.6
275.11682	1.7
276.11212	1.3
279.11334	1.6
290.12878	1.9
320.14157	1.9
332.14047	2.2
335.25809	2.9
337.15207	1.3
352.17361	1.7
353.17627	2.0
367.15591	1.5
367.19531	1.8
381.17233	2.3
391.15451	2.0
395.18668	3.5
396.19485	1.9
397.20374	4.6
405.17166	1.6
407.19122	2.5
415.96375	1.2
419.14703	1.8
423.17899	1.9
424.19080	2.3
425.19894	3.7
434.17490	2.5
437.19742	2.9
440.21841	1.2
447.18411	2.0
451.21225	3.7
461.19867	1.4
462.16672	8.1
463.17365	1.9
479.21411	1.5
480.21640	1.6
482.16553	1.7
482.22928	7.6
483.23862	5.6
484.24850	2.3
489.19611	1.4
493.22797	2.1
494.19153	8.7
498.26251	2.0
505.19681	1.3
507.19550	1.2
510.22687	3.4
511.23477	7.9
512.24127	13.8
513.24670	1.6
517.19427	1.1
521.21832	3.3
525.25183	2.7
526.25793	1.8
531.20111	1.3
535.23694	1.8
538.22388	1.6
539.23065	4.3
548.20880	2.8
549.21216	2.1
553.24579	3.5
554.25372	4.4
567.22583	2.9
568.22784	1.8
577.20868	6.6
580.23157	2.6
581.23956	6.7
582.24005	1.2
594.20392	1.1
595.22418	1.8
598.24249	4.0
599.25208	5.2
608.22351	7.8
609.22827	5.8
613.26263	6.1
623.24701	5.8
626.23834	11.6
627.24475	11.2
637.24567	2.2
641.25952	20.8
642.26508	2.9
651.24469	8.2
669.25500	45.7
670.25677	5.1
701.28149	100.0
701.45801	6.3
702.28247	12.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
67.04013	2.0
98.23545	3.3
103.08292	1.9
159.54756	2.1
229.61153	2.2
362.16489	2.4
421.19998	3.1
423.22021	6.9
437.23431	6.0
551.26422	3.6
611.28851	7.7
637.25885	2.5
669.29401	13.9
670.30005	3.8
701.31921	100.0
701.43915	4.1
702.32385	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96811	0.5
55.05499	0.6
56.91151	0.5
67.05490	2.2
69.49722	1.9
70.06590	0.7
79.05485	0.7
81.07059	1.2
88.07631	0.9
91.05457	0.7
93.07021	0.8
95.08603	1.2
97.56876	0.5
98.23471	1.1
102.09114	0.5
109.10127	1.6
119.08548	0.6
131.08525	0.7
149.02344	1.8
185.04285	0.9
193.04958	1.0
203.05232	1.5
226.11072	0.8
229.14363	1.4
256.26337	1.2
259.07782	0.9
259.20544	0.8
269.12723	1.3
278.14041	0.5
284.57538	0.5
333.24265	0.6
347.09378	1.1
365.10571	3.1
396.22433	0.6
402.28122	0.6
409.33713	0.7
421.12845	0.8
427.90479	0.5
458.79178	0.6
491.21069	0.7
505.34753	0.7
539.31921	19.0
540.31982	2.0
579.78455	0.5
619.21448	0.7
635.59357	0.7
651.24463	1.2
669.26837	0.6
687.00714	0.6
701.36658	100.0
702.37610	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	701.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59723	0.3
52.83025	0.3
64.05152	0.3
67.05502	1.8
69.95230	0.7
79.05505	0.6
81.07051	0.9
82.07365	0.4
83.81586	0.3
91.05479	1.0
93.07059	0.4
95.08639	0.4
105.07066	0.6
107.08616	0.5
109.10167	1.1
110.10460	0.4
117.57262	0.3
119.08569	0.5
121.06445	0.3
133.10120	0.4
145.63617	0.3
149.02351	0.4
184.07182	0.3
185.04300	0.6
219.17468	1.3
220.17877	0.7
229.14331	1.7
230.14680	0.8
256.26450	0.5
259.07935	0.8
322.46213	0.3
347.09604	1.3
503.33786	0.6
504.34241	2.4
537.30133	0.6
539.31927	25.4
540.32159	1.8
555.10687	0.4
609.25043	0.4
657.28955	0.3
669.27325	0.3
698.73517	0.3
701.37036	100.0
702.25281	0.5
702.37512	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01878	4.9
55.05512	47.6
56.30926	0.6
57.03180	0.9
57.03438	11.9
57.07063	2.4
59.05006	1.5
59.92126	0.6
61.02923	3.2
65.03936	2.3
67.05505	54.4
68.05835	1.0
69.03431	5.6
69.07069	15.2
71.04989	1.4
73.02913	1.4
73.06598	0.7
77.03918	0.9
79.05494	36.7
81.07059	45.9
83.04974	5.2
83.08619	27.9
85.02898	3.1
85.06538	2.8
89.06009	0.8
91.03951	0.8
91.05478	15.2
93.07046	37.1
95.04964	3.3
95.08611	30.7
95.09219	1.7
96.08912	1.1
97.02923	1.7
97.06528	1.2
97.10170	63.5
99.08089	0.8
101.09676	1.7
102.12490	0.7
105.04537	1.0
105.07016	10.5
105.62512	0.7
107.08595	32.7
109.06508	2.1
109.10160	15.2
111.08071	3.6
117.07021	5.7
119.08598	6.9
121.10142	12.8
123.11750	5.3
125.09634	56.0
126.09961	1.2
127.77994	0.6
131.08612	5.9
133.10149	6.4
134.55336	0.7
134.66306	0.7
135.08046	7.8
135.11682	8.4
135.23975	0.7
137.13239	1.6
139.11133	0.9
143.10678	2.9
145.10107	5.4
147.11662	3.5
149.09663	0.7
149.13251	6.7
153.09071	4.6
159.11725	3.9
161.13263	3.3
163.14822	3.5
163.18578	0.7
171.10175	4.9
171.11458	1.0
172.20325	0.7
173.13229	4.2
175.14789	1.7
177.16348	1.2
180.23782	0.6
184.07314	2.7
187.14845	1.7
189.11224	43.8
190.11620	1.7
201.16367	0.8
227.12772	76.2
227.20058	3.4
228.13087	1.7
243.21053	7.5
245.13844	100.0
246.14188	3.1
261.22144	27.1
262.22415	1.2
279.23163	3.5
317.24832	3.8
335.25800	92.8
336.26263	4.3
337.49701	0.7
413.30167	1.1
431.31546	1.9
487.34134	7.3
505.35236	64.3
506.35736	4.9
523.36469	4.0
610.23639	0.8
702.27948	1.5
702.47925	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	702.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.01637	0.7
55.01876	3.6
55.02117	0.6
55.05513	39.7
57.03442	10.2
57.07075	1.2
59.04992	1.8
60.08162	1.5
61.02917	2.9
65.03939	1.5
67.05506	39.4
69.03430	5.5
69.07068	12.6
69.75488	1.3
69.75835	1.7
71.04993	1.4
71.07368	0.9
71.08620	1.0
73.02932	1.3
79.05495	26.6
81.03413	0.8
81.07058	39.4
83.04974	3.8
83.08620	24.4
85.02899	2.3
85.06541	1.4
86.09718	9.9
91.03942	1.1
91.05478	12.4
93.07047	24.6
95.04955	2.8
95.08605	21.3
95.09210	1.1
97.02901	1.1
97.06518	1.6
97.10171	52.8
98.10506	1.4
98.23402	0.9
98.98468	1.0
99.08062	1.1
101.09672	0.8
104.10734	1.1
105.04499	1.5
105.07021	8.9
107.08595	25.8
108.08861	0.7
109.06503	1.2
109.10157	13.4
111.08083	1.9
117.07028	4.9
119.08594	6.6
121.10149	12.5
123.08049	0.9
123.11720	4.7
125.00017	6.8
125.09634	54.3
127.03866	0.7
131.08562	5.6
132.35251	0.8
133.10139	5.7
135.08058	6.0
135.11697	7.5
137.13245	1.2
143.10699	3.8
145.10121	5.9
147.11682	4.6
149.13269	5.2
151.14827	0.8
153.09119	3.0
155.08583	0.7
159.11728	3.5
161.13271	2.7
163.14793	3.0
171.10179	4.5
173.13234	3.6
175.14816	1.1
177.16341	1.2
184.07341	34.9
185.07513	0.7
187.14812	1.9
188.29037	0.6
189.11224	37.2
190.11559	1.2
217.09856	0.7
225.34064	0.7
227.12772	70.3
228.13116	2.1
233.22641	0.8
243.21107	6.0
245.13840	100.0
246.14207	3.8
261.22144	22.1
274.82883	0.7
279.23199	2.1
316.20071	0.6
317.24716	3.4
335.25803	70.0
336.26160	4.0
353.26709	1.1
413.30246	1.2
431.31732	3.0
487.34143	7.3
505.35220	38.1
506.35605	2.7
512.23163	0.9
523.36078	3.5
606.23810	1.2
638.26447	2.6
638.60181	0.8
642.26111	1.6
670.28680	6.0
702.28601	5.6
702.46136	3.1
703.27820	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.4
55.05507	2.8
57.03439	3.7
60.08170	2.6
60.43100	1.4
61.01813	1.3
61.02927	6.6
67.05502	10.5
69.03435	4.3
69.07082	2.2
69.10721	2.8
69.11104	8.8
71.07396	1.4
71.08643	1.7
73.02921	3.3
78.26788	1.4
79.05497	6.8
80.16553	1.2
81.03447	2.6
81.07055	9.2
85.02901	7.5
86.09702	7.2
89.06021	2.4
91.03960	4.1
91.05489	4.7
93.07065	6.5
95.04961	2.1
95.08623	7.4
97.02921	6.5
101.02390	1.9
105.07068	3.8
107.08598	2.7
109.10163	4.3
119.08615	2.2
121.10158	4.2
125.00009	4.3
133.08606	1.7
133.10182	1.4
136.84549	1.3
161.07355	1.3
177.11214	1.8
184.07356	21.8
185.07648	1.7
207.09879	1.4
220.88809	1.3
223.12465	1.7
229.14346	2.2
238.48268	1.4
243.08389	1.6
247.12390	1.4
249.13959	2.4
262.14111	1.6
263.43481	1.3
318.16028	2.2
335.25812	4.6
336.26093	1.5
365.17801	2.0
367.19266	1.9
380.19885	2.1
381.20984	2.6
388.65366	1.8
394.17819	2.7
395.18713	2.4
407.22360	2.7
408.19281	4.7
409.20233	31.7
410.20663	2.7
421.20062	1.7
423.21707	11.6
424.22842	11.3
425.17712	4.7
425.23325	3.0
435.21844	2.2
437.19870	2.3
443.21863	5.3
449.19736	2.3
451.21005	2.7
453.18762	8.0
454.19690	3.5
463.21054	2.7
467.20215	2.0
468.21280	2.6
481.22430	3.4
492.36615	1.9
493.18887	4.0
494.24011	1.5
495.24316	3.4
496.24631	2.4
497.25348	2.5
503.24316	2.1
511.27191	24.6
512.27551	4.6
519.29181	7.5
521.25421	2.4
523.23224	3.8
524.23938	2.0
537.24249	2.0
541.24268	3.1
541.49927	1.4
551.22998	2.3
555.26001	20.0
556.26782	8.3
557.26782	2.1
567.22424	6.0
581.27454	4.7
582.24829	3.3
583.24854	2.8
593.24133	2.4
598.28009	16.8
599.28485	2.5
611.24640	1.6
625.26257	6.2
626.26740	1.6
642.26599	2.8
643.27356	6.4
653.25995	14.5
685.28674	70.7
686.28784	8.0
702.46143	2.7
703.29175	96.0
703.40149	100.0
704.29474	10.1
704.40356	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	703.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	1.7
60.08160	2.1
67.05492	4.7
69.84385	5.1
74.16278	1.5
79.05508	2.6
81.07066	4.0
86.09702	5.2
91.05499	1.7
93.07049	3.2
95.08598	2.1
108.08093	1.7
109.10168	4.5
119.08627	1.8
125.00000	3.1
142.07912	1.9
144.08098	1.8
184.07356	15.9
197.10931	1.6
201.06618	2.7
209.10779	4.7
211.12300	5.1
221.10658	1.5
222.11378	2.4
223.12274	4.8
224.13042	7.5
225.13844	4.3
226.14679	2.1
229.05937	2.1
229.14331	2.6
237.13824	9.4
238.14581	6.7
239.15446	6.5
239.17876	2.1
253.13347	4.6
265.13327	6.0
266.13974	3.8
267.14929	6.0
275.15329	2.1
287.10321	1.8
287.14099	2.7
300.14749	2.0
304.14474	1.5
309.16064	2.6
320.17300	1.6
325.15405	4.4
327.16913	2.0
388.20294	2.2
399.11929	1.7
402.21698	3.7
404.23502	3.4
421.16837	2.4
427.21246	4.5
455.21045	2.1
464.17950	2.2
485.25742	2.4
490.23059	5.0
496.23386	2.5
498.23621	2.9
513.24701	5.4
514.25708	7.5
523.23444	7.7
524.22162	2.8
541.24115	6.7
542.24390	2.8
569.23871	5.9
570.23828	2.5
583.25256	3.3
601.26733	10.3
611.24902	15.4
629.25946	14.3
639.23865	2.0
643.19318	2.0
643.27802	23.2
644.28265	2.4
653.25751	2.9
657.24817	2.4
661.28186	7.4
671.27124	100.0
672.27533	9.5
703.29419	35.7
703.41296	6.7
704.30133	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	703.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	1.0
57.03451	0.6
60.08165	1.7
61.89392	0.4
66.32423	0.4
66.81627	0.4
67.05507	4.5
70.16180	1.0
71.07381	0.6
79.05503	1.3
81.07059	1.5
86.09714	7.2
91.05487	1.3
93.07047	1.3
95.08611	0.9
98.98490	0.9
100.74551	0.4
105.07063	1.0
107.08607	1.2
108.50764	0.4
109.10156	3.5
110.10539	0.6
119.08637	1.1
120.08151	0.5
121.10172	0.7
124.36408	0.5
125.00023	4.0
129.76540	0.4
132.08069	0.5
133.10127	0.7
133.11060	0.4
139.87157	0.4
172.07590	1.0
173.11810	1.1
173.13351	0.5
179.14417	0.4
183.09172	0.6
184.07346	25.3
185.07747	1.9
194.08354	0.6
195.09207	2.0
196.09996	1.0
197.07109	0.5
197.10686	0.6
206.09708	0.4
207.09166	0.8
208.09999	1.4
209.10713	7.0
210.11368	2.3
211.08759	1.1
211.12288	1.3
221.10811	1.5
222.11449	3.8
223.08775	1.7
223.12296	7.0
224.09593	0.6
224.13051	5.9
225.06648	1.6
225.10260	0.6
225.13817	4.8
226.14635	0.8
229.14355	3.0
230.14682	1.1
233.10838	0.6
235.08719	0.8
235.12419	1.4
236.09491	0.6
236.13135	1.5
237.10268	3.8
237.13870	14.1
238.10806	0.5
238.14644	5.8
239.08154	4.2
239.15381	1.4
240.08907	0.8
241.09773	0.6
249.13994	0.6
250.11128	1.8
251.08228	0.6
251.11867	1.4
252.12576	2.5
253.09769	0.5
253.13416	2.4
254.10735	0.6
255.11412	0.8
263.08304	1.6
263.11859	0.4
265.13358	9.6
265.16113	0.7
266.14038	3.1
267.07736	4.9
267.14844	0.8
268.12128	0.6
269.09308	1.4
271.10910	0.9
281.09326	3.2
282.13751	0.5
283.10706	0.5
285.08932	0.6
297.12427	1.6
299.10233	3.2
309.08722	1.3
311.14005	1.0
313.11917	1.5
314.16379	0.5
323.10327	0.6
323.13892	0.8
324.14661	0.6
325.15433	4.6
326.16321	0.7
341.11346	8.4
342.12265	1.0
343.13339	0.5
351.25491	0.8
356.14154	0.8
392.16409	0.8
405.17477	0.6
406.18439	0.8
407.18649	0.8
417.17426	0.5
419.14807	0.9
420.15936	1.4
421.20602	0.9
430.17758	0.6
432.17545	0.7
433.16949	1.2
434.17447	0.8
435.17996	2.0
445.16226	0.7
447.18729	0.6
448.19608	0.7
449.19733	1.4
450.20471	0.7
459.18188	0.8
460.16687	0.5
461.16010	0.7
462.16663	0.6
463.16803	0.8
463.21954	0.8
474.19629	0.6
475.17169	0.6
476.18506	1.4
477.19370	2.2
478.19809	0.9
490.19534	0.6
491.21063	2.2
492.21890	1.0
505.22491	1.0
505.35330	1.3
506.22348	0.8
506.35629	1.9
507.20642	0.9
508.20825	0.7
509.21991	0.6
519.20361	1.3
521.20081	0.5
522.22937	1.0
523.23602	3.7
524.23651	0.7
533.21661	2.0
534.21802	0.9
535.19537	0.7
536.20746	0.9
537.24591	1.1
538.25525	0.8
541.33472	1.1
547.23077	1.0
548.23615	0.7
549.24097	0.7
550.22565	1.4
551.22931	5.2
552.23785	0.6
561.21088	0.5
565.24371	3.7
566.25403	4.3
575.23364	1.1
576.21466	0.5
579.22919	0.7
593.23926	8.4
594.24377	0.9
611.24915	3.7
621.23254	2.2
625.25775	2.8
635.24921	1.9
653.26044	100.0
654.26385	7.9
667.27728	0.5
685.28662	14.7
685.40143	0.9
686.28729	0.9
703.38531	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	703.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70709	0.3
63.18717	0.3
69.27435	0.6
69.27838	1.2
88.81186	0.3
98.23416	0.7
151.10487	0.3
184.07382	1.0
185.04263	0.9
208.67752	0.3
213.42113	0.3
214.88947	0.3
219.81152	0.3
244.04333	0.3
245.71111	0.3
316.03473	0.3
347.09668	1.2
466.46463	0.3
541.33478	19.2
542.34094	0.9
554.47784	0.3
660.30475	0.4
703.38702	100.0
704.38995	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	703.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
57.03418	0.3
57.57726	0.3
63.40177	0.3
67.05527	0.4
69.07066	0.3
69.31525	0.7
69.31932	0.9
76.55948	0.3
77.58869	0.3
81.07063	0.3
83.08636	0.3
86.91785	0.3
95.08585	0.4
117.21516	0.3
128.15213	0.3
168.08128	0.3
185.04266	0.7
195.09132	0.4
196.61314	0.3
203.05263	2.3
209.09048	0.4
209.10631	1.7
222.11606	0.5
223.12372	1.3
224.13020	1.3
225.06619	0.3
225.13930	1.1
236.13197	0.3
237.10281	0.8
237.13875	3.2
238.14673	1.1
239.08218	1.0
251.11769	0.5
252.12529	0.5
253.09892	0.4
253.13234	0.4
256.26321	3.0
256.28400	0.3
257.26801	1.2
259.07950	1.3
263.08109	0.3
265.13455	1.5
266.14087	0.6
267.07715	0.8
281.09332	0.6
297.12653	0.4
299.10400	1.0
309.80991	0.3
325.15659	0.9
341.11395	1.6
347.09445	1.7
365.10538	4.1
421.13257	1.3
433.16556	0.5
435.18335	0.3
450.20621	0.4
459.17816	0.3
491.21106	0.6
505.22626	0.3
523.23297	0.6
541.33508	24.4
542.34052	1.1
550.22583	0.5
551.22955	1.0
563.89532	0.3
565.24115	0.7
566.25299	1.1
593.23730	2.3
611.25092	0.6
621.24487	0.4
625.26196	0.9
653.26074	26.1
654.26379	3.1
685.28516	3.4
686.29254	0.5
703.38739	100.0
704.38910	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	703.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.9
57.03440	3.8
60.08156	0.9
61.02927	6.6
67.05499	8.5
69.03426	3.4
69.07067	2.1
71.01376	0.8
71.04998	0.7
71.08630	1.0
73.02930	4.0
79.05496	5.9
81.03415	1.6
81.07063	6.4
83.08607	1.6
85.02905	7.0
86.09695	3.4
87.04427	0.8
89.06062	1.1
91.03951	4.9
91.05472	1.8
93.07037	6.1
95.04974	0.9
95.08615	4.9
97.02895	7.0
99.04414	1.2
101.02372	1.4
105.07018	1.7
107.08576	1.9
109.02876	0.8
109.06509	0.7
109.10141	3.3
116.46701	0.7
119.08556	1.9
121.10131	3.0
125.00005	2.5
127.03935	1.0
131.08574	1.2
133.10106	1.0
135.11710	1.3
145.04976	0.8
164.10660	0.9
184.07362	10.9
185.07735	0.9
203.05421	1.0
207.09901	0.9
229.14311	1.4
243.08423	2.3
258.10077	0.8
335.25720	2.0
337.15076	0.9
365.17575	0.9
377.18628	0.7
379.19128	1.4
381.20889	0.9
393.21698	0.8
395.18686	1.2
404.17123	0.8
408.19250	1.9
409.20218	12.1
410.20718	2.7
421.20163	1.0
423.21893	3.8
424.22736	5.5
425.17697	4.0
425.23157	1.4
435.22003	1.6
437.19223	1.0
443.21985	2.7
444.22800	1.0
451.20947	0.7
453.19241	3.0
463.21219	0.9
468.21393	1.4
469.26483	0.8
481.22052	0.9
491.20731	1.4
493.18643	1.3
495.24026	1.8
497.25018	1.8
501.60660	0.7
506.93106	0.8
510.24902	0.7
511.27222	10.8
512.27527	3.5
519.29108	6.9
523.23102	1.9
541.24902	1.7
549.25763	1.0
551.22797	1.3
554.25433	0.9
555.26227	8.1
556.26636	3.6
557.27307	0.9
567.22412	3.8
581.27728	1.6
582.24847	1.0
583.24884	1.4
593.23853	0.8
598.27838	5.2
599.28308	2.0
625.26160	2.7
626.26666	1.2
642.26398	1.5
643.28125	3.3
653.25916	6.5
654.26288	1.8
685.28540	31.3
686.28851	4.5
703.29108	41.7
703.40002	100.0
704.29492	7.0
704.40417	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	703.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.03432	4.0
61.02925	4.3
67.05506	6.4
69.03423	2.3
69.07085	0.8
71.01355	0.9
71.04996	1.1
73.02923	3.9
79.05487	4.9
81.03383	0.9
81.07045	5.4
83.08614	2.1
85.02899	4.3
86.09722	3.7
91.03949	2.7
91.05485	1.4
93.07040	6.2
95.08630	3.4
97.02885	3.4
98.22623	1.5
101.02367	1.9
105.07024	1.7
107.08572	1.2
109.10146	2.1
119.08546	0.8
121.10140	4.2
124.95493	0.7
125.00037	3.4
127.03883	1.0
131.08528	1.0
133.10110	0.8
184.07349	11.4
185.04298	0.8
185.07631	1.0
192.25511	0.7
207.09906	1.1
223.12331	0.9
229.14282	1.3
241.14078	0.7
243.08420	1.6
335.25803	1.4
340.18188	0.7
367.19534	0.7
381.20926	1.0
408.19260	1.1
409.20181	7.4
410.20612	1.3
421.20288	0.8
423.21872	2.5
424.22412	3.2
425.17892	7.9
425.23224	1.0
436.22592	0.9
443.22031	0.9
453.18799	1.0
465.23312	0.7
469.21988	1.0
489.35199	0.9
495.23898	1.4
497.25388	1.1
511.27145	6.5
512.27393	2.2
519.28967	4.0
523.23364	1.1
541.24237	1.0
549.24561	0.9
551.23676	0.8
555.25964	6.1
556.26459	2.7
567.22406	1.4
581.27228	1.5
582.25189	1.1
598.27386	2.9
599.28021	1.1
625.26434	2.2
643.27356	1.4
653.25696	3.5
685.28723	17.5
686.28632	2.9
703.29047	24.5
703.39899	100.0
704.29395	3.7
704.40277	9.9
730.61884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
55.10628	1.2
57.45522	1.2
66.12577	1.3
67.05531	1.3
69.07093	2.7
69.30998	3.1
69.31403	3.5
70.06614	1.5
70.32063	1.5
79.05466	1.6
81.07078	3.6
83.08633	1.8
91.05525	1.8
95.08627	3.3
105.07053	2.5
109.10184	1.8
119.08624	1.7
145.10178	1.8
149.02429	1.7
159.11757	1.5
175.14890	1.4
184.07365	1.9
189.85144	1.3
204.92453	1.2
237.13858	2.2
238.14424	1.3
239.08400	1.4
239.25755	1.8
240.26941	1.6
256.26340	13.6
256.28470	1.3
257.26706	10.8
258.27878	2.2
333.20462	1.3
352.18610	1.5
396.12286	1.6
397.13275	3.7
398.13550	5.8
399.14700	5.0
400.16092	2.8
410.13702	4.4
411.14630	13.3
412.15350	17.5
413.15823	10.2
423.14343	1.3
424.15363	4.9
425.16101	22.2
426.16855	27.2
427.17734	20.6
428.18484	11.1
438.16705	2.8
439.18472	9.1
440.13696	2.5
440.18668	19.3
441.14478	2.5
441.19382	24.9
442.18936	14.8
443.13629	1.7
443.19482	1.5
444.15219	1.7
451.13788	1.4
452.15756	1.5
453.14713	6.5
454.15546	5.1
454.20621	4.1
455.16397	20.2
456.14914	1.7
457.15134	4.0
458.16046	5.0
466.16455	4.3
467.17618	4.4
468.18018	9.8
469.18536	12.2
470.18799	10.5
471.16541	12.4
472.17490	4.8
479.13202	8.0
480.14661	2.3
481.18604	4.1
482.19879	8.2
483.16550	6.8
483.21729	2.6
484.16962	5.8
485.18167	3.9
486.18936	6.9
487.19852	6.7
493.15424	4.1
494.15979	7.8
495.16592	3.9
496.16400	2.3
497.16672	2.0
498.17798	9.8
499.20096	11.9
509.18256	52.2
510.18726	7.8
514.22980	6.3
515.19159	2.8
525.20612	1.6
526.17133	4.4
527.19031	3.9
528.19476	4.8
537.17780	40.3
538.18073	4.8
541.20880	97.1
542.21411	9.3
553.19366	1.9
559.22064	1.7
569.20386	76.0
570.12958	1.5
570.20605	7.9
572.22498	3.5
573.23395	23.0
574.24237	7.6
584.21417	5.8
585.22253	4.2
596.22076	1.6
601.22955	83.6
602.23486	14.4
612.21002	12.0
613.21698	5.1
644.23535	17.5
645.23163	3.6
653.25769	3.4
654.15808	1.7
654.26471	24.4
672.22980	29.0
673.22937	2.7
676.26074	23.3
677.26758	2.7
686.29266	4.0
704.25574	100.0
705.25970	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	704.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03426	1.2
58.99593	1.2
63.32616	0.5
65.03948	1.0
67.05499	0.7
67.49184	0.6
70.29406	1.1
75.04472	1.9
77.03929	0.7
78.04706	1.5
79.05492	5.3
81.07044	0.6
85.02915	2.4
86.99070	0.6
89.03946	0.7
89.06029	0.9
91.05484	7.6
93.03400	6.8
93.07057	3.1
95.04975	3.3
97.06538	1.5
100.66530	0.6
103.05475	7.3
105.03374	0.5
105.04531	1.1
105.07035	10.7
106.04178	11.5
107.04977	3.2
109.02887	0.7
109.06524	2.4
110.52425	0.5
115.05451	1.0
117.03397	1.2
118.04167	11.5
119.04959	1.4
120.05725	0.9
121.05625	0.8
121.06501	15.5
122.07271	1.7
123.04471	0.7
123.08082	0.7
124.05214	6.3
125.06014	4.1
131.04941	3.4
131.05769	0.6
132.05693	1.6
133.02824	2.3
133.06491	18.5
134.03609	1.3
134.07251	1.0
135.04466	2.8
135.08069	3.2
137.05984	5.4
138.06711	0.6
139.07561	1.1
141.59259	0.6
145.02840	0.7
148.05193	1.9
149.05988	24.6
150.06764	6.7
151.02129	1.1
151.07532	3.1
153.05461	1.1
153.09109	6.8
155.06958	0.8
160.05199	0.9
161.05939	4.1
162.03197	0.6
163.03885	1.9
163.07564	1.4
165.05521	3.2
165.09126	13.4
167.07045	5.0
176.04726	0.8
177.05481	16.5
177.09073	0.6
178.06023	0.8
179.07159	0.7
180.07693	0.6
181.08597	12.8
182.05804	0.7
191.07066	7.6
192.07784	2.8
193.08607	71.2
194.08975	2.5
195.06546	1.8
197.08095	4.2
209.08093	100.0
210.08453	2.3
216.61731	0.6
223.04160	0.8
301.07434	7.7
313.07373	4.4
345.73267	0.6
353.13580	0.7
373.16522	1.7
385.16541	1.0
428.78702	0.7
572.37762	0.6
685.45251	0.7
703.36554	1.1
703.48151	16.8
704.48492	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	704.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44594	0.9
61.02921	1.2
62.08361	0.8
62.88508	0.8
67.05504	1.9
69.03430	2.8
71.46950	0.8
77.92462	1.1
79.05490	2.4
80.05038	1.0
81.03442	2.0
81.05779	1.1
82.06596	1.1
85.02922	5.5
91.05480	2.8
93.07050	6.8
94.06568	7.7
95.04962	1.6
95.07344	6.4
96.08134	21.5
97.02899	2.0
97.06529	2.4
97.38500	0.9
103.05479	2.0
107.07350	1.5
108.08122	15.3
109.02911	1.2
109.08932	1.1
110.09679	35.3
111.56061	0.9
117.81894	1.0
120.08109	25.4
121.06523	1.5
122.06017	2.3
122.09660	1.9
123.06835	1.3
124.07580	1.9
126.23952	0.9
136.07567	12.7
138.05542	3.3
138.09142	47.7
146.06009	15.8
148.07564	8.6
150.09193	4.7
154.08678	1.8
166.08635	94.6
167.08969	1.8
172.03990	2.2
174.05531	1.9
204.06520	1.4
206.08044	4.6
211.08658	1.2
223.08589	1.3
223.18025	1.2
224.09453	1.0
225.10298	3.0
227.08171	2.4
237.10243	11.0
238.07355	1.3
238.10977	1.7
239.08090	5.1
239.11800	3.2
241.09753	4.0
243.11305	1.0
251.08144	3.2
252.08908	2.0
253.09714	11.4
254.08025	1.3
255.11333	3.1
265.09735	23.2
266.07556	1.1
266.10342	3.6
267.07751	3.9
267.11304	8.4
269.09311	2.5
280.08453	1.3
281.09235	19.4
282.09836	1.4
283.10794	13.9
286.09515	1.1
287.10181	3.1
293.09222	16.8
294.09781	2.3
295.10785	16.8
297.64587	1.0
299.10254	7.2
301.11862	3.5
302.65591	1.0
309.08698	3.4
311.10260	15.0
313.11844	7.0
314.12540	1.0
321.08649	9.4
325.11856	1.4
327.09796	16.9
335.95453	1.2
339.09781	32.6
340.10239	1.2
341.11197	4.8
344.13730	1.1
353.11035	4.9
359.12326	38.0
360.12708	1.1
371.12344	20.9
372.12537	1.2
388.16504	2.3
392.04459	0.9
392.27490	1.1
400.16678	2.0
418.17725	5.3
428.15750	1.5
436.18658	3.0
446.16992	8.1
448.18573	2.7
464.18219	17.3
465.18213	1.8
466.19791	7.1
474.16400	2.7
478.15717	1.4
492.17664	100.0
493.17776	6.0
506.19305	5.2
510.18661	6.8
518.25818	1.0
524.20288	86.6
525.20404	6.5
542.21350	2.1
654.22742	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	704.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.1
67.05528	1.3
69.03433	2.9
69.92696	3.5
70.06564	1.0
72.46764	1.0
72.72572	1.1
79.05487	1.8
81.03421	1.2
82.06582	1.9
85.02901	5.3
86.09716	1.1
91.05484	2.3
93.07040	5.0
94.06557	7.4
95.04971	1.5
95.07352	7.9
95.08622	0.9
96.08131	18.6
97.02889	1.2
97.06545	1.3
103.05482	2.2
108.08125	16.5
110.09676	36.7
120.08097	22.3
121.06555	1.2
122.06027	2.7
122.09621	1.3
124.07612	1.9
136.07567	11.0
138.09135	46.4
143.01070	1.1
146.06006	3.8
148.07571	7.3
150.09158	3.2
152.07100	1.2
155.32863	1.0
166.08636	82.2
167.08954	1.8
167.35625	0.9
174.05505	1.4
181.05019	3.2
183.43321	1.1
191.71719	1.0
211.08661	1.9
223.08728	1.5
224.09462	0.9
225.10265	4.7
227.08235	3.2
235.08707	1.2
237.10214	13.9
239.08076	5.9
239.11774	3.0
241.09723	4.2
251.08192	4.2
252.09093	1.7
253.09709	13.1
255.11322	4.3
265.09726	27.2
266.07877	1.2
266.10422	3.1
267.07751	3.8
267.11313	7.4
269.09268	2.1
270.64304	1.1
279.07736	1.4
281.09207	19.6
282.09628	1.7
283.10742	14.7
283.13693	1.2
287.10303	3.7
293.09177	20.4
294.09814	1.3
295.10782	17.3
296.11139	1.9
299.10281	5.9
301.11899	1.8
303.13470	1.2
306.17212	1.0
309.08688	3.6
311.10294	13.3
312.10739	1.5
313.11688	3.9
321.08670	8.0
327.09763	18.4
331.12814	1.2
339.09750	29.3
339.13605	2.2
341.11420	3.5
353.11365	5.3
359.12375	37.6
360.12817	1.8
371.12354	20.4
372.12863	2.0
388.16467	1.7
418.17624	7.0
428.15866	1.7
436.18787	3.9
446.17169	6.5
448.18661	3.5
464.18155	20.8
466.19754	3.1
474.16333	3.5
478.19470	1.4
492.17651	100.0
493.18069	8.2
506.19293	6.8
524.20258	70.2
524.26709	0.8
525.20209	6.8
654.22729	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	704.4737
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47420	1.3
55.05507	9.7
56.96574	1.7
57.07079	4.6
60.20523	1.7
62.14693	1.5
67.05512	13.7
69.07070	37.7
69.37003	5.1
70.07407	1.7
77.00910	8.9
79.05472	11.0
81.07062	25.3
83.08612	10.2
86.32310	1.3
91.05470	5.8
91.93194	1.4
93.07043	9.3
95.01959	8.0
95.05003	2.1
95.08611	33.3
97.10198	3.0
105.07043	24.6
107.04951	4.8
107.08590	8.8
109.06509	2.8
109.10162	14.5
117.07031	1.6
119.08585	13.2
121.05011	2.7
121.10158	8.4
121.18501	1.5
123.11726	4.9
125.04565	1.4
130.99953	1.4
131.08594	6.8
133.06508	6.5
133.10135	13.6
135.08032	4.1
135.11708	3.1
135.74055	1.4
137.13242	1.8
139.06030	12.9
143.08559	2.9
145.10103	8.7
147.08089	1.9
147.11682	11.7
149.13261	3.5
155.08623	1.7
159.11713	5.2
160.34697	1.3
161.09608	8.7
161.13304	3.0
171.11697	1.9
171.99567	1.3
173.13301	4.6
175.11195	4.2
175.14821	4.1
183.05025	11.1
184.07370	6.5
185.06683	1.6
187.14874	4.2
189.16431	1.9
201.06081	20.2
201.16344	3.4
209.06631	1.9
215.07675	2.5
227.07582	3.3
237.09596	2.0
255.10805	9.1
257.22665	5.8
285.22134	6.8
289.09262	3.8
299.22156	6.9
303.73325	1.4
307.10266	4.5
315.10883	1.7
317.23297	4.1
325.12857	3.4
325.20123	1.9
343.13898	6.8
343.20990	8.0
357.15558	2.7
361.14957	2.7
361.22220	6.0
369.15332	2.2
379.23349	9.0
385.18481	1.6
397.18747	2.8
399.20917	1.5
405.26367	2.4
423.27264	2.2
449.25110	1.8
467.26074	2.6
485.27353	2.2
493.28308	2.7
503.30063	2.3
511.28775	3.1
521.30725	4.5
583.43591	3.7
627.42261	15.1
645.43536	37.8
646.44037	5.4
663.44672	100.0
664.45050	12.0
668.44641	3.7
681.45709	35.2
682.45728	3.4
686.46216	7.9
704.47937	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	705.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
57.03437	1.7
61.02934	3.7
67.05507	7.9
69.03426	1.9
69.07072	0.6
71.04984	0.7
71.46902	0.6
73.02927	2.8
74.14523	0.4
79.05492	1.5
81.03417	1.1
81.07053	2.7
83.08623	0.6
85.02892	3.6
85.09780	0.4
86.09733	1.1
91.03967	1.7
91.05488	1.8
92.48303	0.4
93.07059	1.5
95.08617	1.6
97.02889	3.3
99.04464	1.0
101.02386	1.1
105.07044	1.8
107.08586	0.9
109.02897	0.6
109.06519	0.9
109.10144	6.4
117.07036	0.8
119.08613	1.4
121.10143	0.5
127.03927	1.0
131.08580	0.7
133.10144	0.6
145.10144	0.6
149.09682	0.4
155.10782	0.5
155.51682	0.4
157.62003	0.4
158.83571	0.5
159.11761	0.7
171.65836	0.4
173.11790	1.5
184.07384	2.1
185.04289	0.5
185.96317	0.4
195.10030	0.5
204.09767	0.5
207.19295	0.4
219.17511	1.0
229.14388	0.9
243.08432	1.9
315.19406	3.3
371.22119	0.7
413.17789	10.9
420.34225	0.5
512.76550	0.5
533.27216	4.9
705.38171	100.0
706.38477	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	705.4031
Annotation	Voacamidine
Peak:m/z	Relative Intensity
54.36809	0.4
69.16881	0.6
69.17290	1.1
75.90243	0.3
82.80945	0.3
86.09711	0.4
134.17560	0.3
145.02795	0.3
184.07401	1.0
185.04292	0.7
191.28584	0.3
203.05246	0.3
214.55186	0.3
222.56049	0.3
227.86937	0.4
232.68466	0.3
259.07941	0.4
326.17685	0.3
347.09372	1.7
467.39117	0.3
543.35022	22.3
544.35260	2.6
705.40283	100.0
706.40601	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	707.3769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.5
60.08175	1.0
61.54276	1.0
66.94704	1.0
67.05511	3.8
79.05480	2.7
81.07055	3.0
86.09709	4.3
87.04467	2.4
91.05495	2.5
93.07039	1.8
95.08604	1.8
104.10770	1.3
105.07024	1.8
107.08573	1.5
109.10180	1.1
118.23390	1.0
125.00008	3.0
133.10170	1.4
147.11801	1.2
171.38589	1.1
179.81218	1.1
184.07349	12.3
185.07724	1.4
189.29178	1.1
261.92694	1.2
331.22925	1.2
362.57401	1.2
493.04581	1.1
591.40021	1.2
609.44586	1.9
707.37567	100.0
708.37903	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	707.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.3
57.03426	1.0
60.08165	0.7
67.05185	0.6
67.05513	2.0
69.07084	0.8
69.77305	1.9
69.77649	0.8
79.05488	1.6
81.07063	2.1
86.09712	2.7
87.04485	1.7
87.79470	0.6
88.45559	0.6
91.05497	1.4
93.07069	1.3
95.08622	1.6
96.95428	0.6
104.10773	0.8
105.07099	1.0
107.04988	0.6
107.08611	1.3
109.10182	1.6
117.07001	0.7
119.08617	1.7
125.00031	2.6
143.08662	0.7
152.74664	0.7
157.10251	0.8
184.07336	9.7
185.07686	0.9
535.26764	0.8
609.45337	2.0
638.94214	0.7
707.37646	100.0
708.38068	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	707.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
57.03438	1.5
59.95510	0.4
61.02927	3.8
65.03950	0.6
67.05504	6.2
68.30851	0.4
68.54799	0.4
69.03425	2.9
69.07069	0.8
69.98247	1.2
71.01328	0.5
71.04985	0.5
73.02936	2.7
79.05493	2.9
81.03420	1.3
81.07059	2.7
83.08596	0.7
85.02903	3.7
85.06565	0.5
86.09703	0.5
91.03972	2.9
91.05476	2.4
93.07047	3.0
95.04956	0.5
95.08603	1.2
96.15373	0.4
97.02888	3.6
98.22593	0.6
99.04457	0.5
101.02394	1.9
105.07019	2.3
106.63621	0.5
107.08620	1.0
109.02846	0.7
109.10132	4.5
119.08621	1.9
121.10136	1.0
125.00044	0.4
127.03950	1.4
130.92111	0.4
131.08580	0.6
133.10141	1.1
135.11699	1.0
145.10118	0.4
147.11690	1.1
148.11992	0.4
159.54362	0.4
171.86801	0.4
173.11732	1.3
184.07346	1.9
185.04300	0.7
185.13300	0.5
195.09918	0.9
229.14389	1.1
232.71562	0.4
243.08429	2.0
259.20667	0.7
281.74438	0.5
305.67157	0.5
323.88684	0.5
341.17758	0.6
355.89941	0.5
413.17822	8.2
413.22632	0.8
433.09854	0.5
485.20178	0.7
535.28802	5.0
626.96997	0.5
675.23914	2.2
680.43140	0.5
707.39697	100.0
708.40070	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	707.3979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37574	0.2
53.03942	0.6
55.05508	2.0
55.79236	0.3
57.03444	1.4
61.02920	3.6
67.05507	3.4
69.03420	2.7
69.07063	1.1
69.58842	0.4
69.59216	0.5
71.01349	0.5
73.02915	3.1
76.33448	0.2
79.05492	2.4
81.03418	1.4
81.07050	3.0
83.08622	1.4
85.02902	4.2
86.09712	0.5
87.04492	0.4
91.03954	2.9
91.05487	1.0
93.07045	2.0
95.08597	2.0
97.02885	4.0
97.10165	3.0
98.22725	0.4
99.04451	0.9
101.02378	1.8
103.03959	0.4
105.07051	0.8
107.08579	1.9
109.02890	0.5
109.10143	0.7
115.03929	0.5
117.07011	0.4
117.29852	0.2
119.08582	0.6
121.10159	1.0
125.09627	3.3
127.03905	1.5
131.08566	0.4
133.10112	0.5
135.08069	0.3
135.11696	0.7
145.05017	0.4
145.10181	0.5
147.11734	0.4
161.24597	0.3
184.07393	1.0
185.04263	1.1
189.11214	2.6
203.05254	0.7
211.09464	1.6
227.13025	0.3
243.08441	1.2
245.13902	0.5
259.07751	0.3
267.12247	0.4
286.81982	0.3
320.02097	0.3
335.25873	0.6
394.45547	0.3
429.17227	8.4
430.17661	0.6
519.29199	4.3
545.34589	0.4
561.25262	0.6
621.26917	1.2
675.24243	1.0
707.39703	100.0
708.27466	0.5
708.40009	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	707.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01869	0.5
55.05514	2.2
57.03439	2.1
61.02923	6.2
67.05503	4.7
69.03432	3.0
69.07063	1.1
69.34782	1.6
71.04985	0.6
72.97329	0.2
73.02913	4.2
75.04484	0.3
75.97937	0.3
77.59514	0.3
79.05486	3.5
81.03415	1.3
81.07055	4.5
81.07494	0.4
83.04958	0.4
83.08618	1.0
85.02907	6.1
87.04443	0.6
91.03963	4.1
91.05485	1.9
93.07042	3.9
95.04974	0.4
95.08610	3.7
97.02895	5.2
97.10160	2.0
98.52478	0.3
99.04462	0.9
101.02371	1.5
103.03911	0.4
105.07042	1.4
107.08596	2.2
109.02888	1.0
109.10159	1.4
115.03985	0.3
115.92867	0.3
117.07083	0.6
119.08616	1.0
121.10155	1.2
123.08082	0.3
123.11703	0.4
125.09623	1.7
127.03902	1.8
131.08571	0.9
133.10147	0.8
135.11717	0.8
145.04970	0.3
145.10139	0.4
149.13223	0.4
185.04262	1.0
189.11234	1.1
203.05299	0.7
204.17166	0.3
211.09480	1.3
243.08400	1.9
335.25885	0.8
385.74017	0.3
429.17273	4.1
429.71393	0.3
519.29315	7.1
520.29803	0.4
545.34296	0.4
648.33917	0.3
675.24579	0.6
707.39716	100.0
708.27716	0.5
708.39984	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	708.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	5.3
55.01883	4.1
55.05510	10.4
57.03440	6.1
57.07060	1.7
61.02926	3.7
67.05508	29.6
68.99813	2.2
69.03435	16.1
69.07063	11.5
71.04994	20.6
73.02924	2.7
73.54482	1.8
75.04482	11.8
77.04020	1.7
79.05502	17.4
81.03413	19.8
81.07056	51.6
83.04961	2.0
83.08620	8.5
85.02911	43.5
85.06544	13.6
87.00825	14.5
91.05479	13.0
93.07044	78.9
95.04980	11.5
95.08608	65.8
95.09218	4.0
96.08959	2.9
97.02900	21.4
97.06531	7.8
97.10190	5.0
99.04464	6.0
99.08102	17.0
105.01847	11.4
105.07034	24.0
107.08595	46.9
109.02866	14.3
109.06530	5.0
109.10158	59.1
109.10894	3.6
111.04441	3.5
111.08084	13.8
117.07025	2.3
119.08585	12.5
121.06516	6.3
121.10152	56.9
122.10447	1.6
123.08099	3.5
123.11698	11.5
125.09641	3.4
127.03919	24.0
129.07086	1.8
131.08540	5.0
133.10104	16.9
135.08061	4.2
135.11699	23.8
137.09601	3.5
137.13257	2.4
138.53046	1.8
139.11159	3.1
143.08655	3.1
145.04997	9.4
145.06180	1.8
145.10110	10.0
147.08049	3.2
147.11674	22.1
149.09666	10.0
149.13260	16.8
151.11205	4.3
151.14832	3.2
157.10178	3.7
159.02939	4.2
159.11700	6.4
160.80292	1.6
161.09656	3.6
161.13252	13.6
163.11212	6.7
163.14830	31.0
165.09158	2.3
167.10678	9.7
167.14278	2.1
171.11740	5.2
173.13269	3.2
175.11198	4.1
175.14822	5.6
177.12740	2.6
180.08736	3.6
181.12251	5.0
181.15831	11.9
183.11948	1.9
185.13353	4.0
187.14844	4.6
189.12772	2.1
189.16380	21.9
193.12302	1.9
201.16405	2.1
201.47139	1.7
207.13910	2.5
207.17409	12.7
213.03925	2.6
215.17909	1.8
217.16087	2.4
217.19518	49.6
218.19916	2.0
227.17973	7.2
231.05023	5.4
235.20560	25.3
245.19023	25.9
263.20068	100.0
264.20367	4.0
281.21118	67.7
287.87424	1.9
353.21240	4.0
365.77222	2.2
367.25064	1.8
371.22162	6.8
378.38129	1.8
389.23416	8.8
407.23834	3.5
414.22949	2.1
431.24213	7.4
449.25668	2.6
457.22202	2.2
475.23477	8.6
476.24518	1.9
493.24341	18.6
511.25159	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.05518	8.8
57.03433	5.6
57.07068	2.3
60.08174	2.4
61.02631	2.1
61.02930	31.0
65.03942	1.4
67.05505	47.7
69.03428	5.3
69.07079	8.5
69.21743	2.5
69.22149	4.5
71.04990	2.7
73.02921	8.6
79.05494	26.0
81.03436	1.5
81.07059	59.0
83.08612	5.6
85.02904	39.8
85.06546	2.5
86.09711	10.6
91.03442	2.3
91.03959	23.5
91.05470	13.8
93.07047	35.7
95.04957	2.7
95.08610	45.8
97.02891	20.4
97.06517	2.0
97.10162	2.7
99.04469	1.5
99.08104	1.6
103.53705	1.4
105.04528	1.5
105.07030	11.9
107.08599	26.1
109.02910	2.3
109.10162	30.3
111.08077	2.2
111.76886	1.2
113.09612	1.5
115.03929	1.7
115.05515	1.3
117.07037	3.7
119.08578	11.0
119.41055	1.6
121.10148	24.3
123.11709	17.8
125.00009	5.7
125.09645	1.9
127.03918	11.2
130.92146	1.3
131.08582	12.8
133.10141	10.7
135.11711	21.8
137.13257	7.4
145.04996	14.2
145.10114	11.6
147.11685	10.0
149.13229	15.3
151.11188	2.4
151.14807	2.1
159.11700	12.5
161.13257	9.7
163.06015	18.9
163.11096	1.4
163.14801	11.3
165.12823	2.5
173.13232	13.0
175.14825	4.2
177.16411	5.1
179.14366	2.9
181.88434	1.3
184.07336	34.1
184.08865	2.1
187.14905	6.3
191.14465	1.3
194.10272	1.6
201.16321	3.0
202.10184	1.3
215.17984	1.7
223.17081	1.4
233.22581	3.0
243.21089	35.6
261.22144	100.0
262.22418	1.6
279.23227	5.4
318.31375	1.7
335.25812	34.0
353.26901	71.0
354.27219	3.9
497.30960	1.4
690.43176	2.7
700.39819	1.2
708.42877	1.3
736.33966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.24275	0.3
55.05511	0.7
57.07076	68.0
58.07422	0.5
59.05010	1.0
60.14563	0.3
61.02929	0.5
67.05504	1.2
68.98578	0.3
69.03435	1.1
69.07063	0.8
71.04963	0.3
71.08638	1.3
73.02924	1.0
73.06553	2.7
77.03928	0.5
79.05504	1.1
81.03391	0.3
81.07062	0.9
83.04983	0.9
83.08620	0.8
87.04467	25.3
89.06030	100.0
90.06353	0.8
91.05476	8.3
91.07597	0.7
93.07043	6.2
95.04980	2.5
97.10147	0.3
99.08085	0.4
103.05461	1.8
105.04508	1.7
105.07034	2.7
107.04963	1.6
107.07079	2.1
107.08599	2.7
109.06519	1.2
109.39410	0.3
113.13301	1.6
115.05441	0.4
117.07024	1.5
117.09131	1.4
118.07790	5.5
119.04942	4.6
119.08588	6.4
120.08884	0.4
121.06505	26.4
121.10139	1.5
122.06852	0.6
123.08093	1.2
129.06967	0.8
130.08632	1.8
131.07040	11.0
131.08530	0.6
133.08603	64.0
134.08920	0.7
135.08061	5.1
135.10123	0.6
135.11710	1.7
145.06538	0.5
145.10123	0.8
147.08047	13.8
149.09610	5.4
149.13254	1.1
150.06758	4.0
159.10419	0.5
159.11662	1.7
161.09613	0.5
161.11722	0.4
163.11174	3.1
165.09109	8.4
167.10715	1.7
173.09590	0.8
175.08134	0.4
175.09682	7.9
175.11110	0.6
177.11234	27.8
177.12724	2.9
178.11665	0.4
179.12791	0.4
184.07343	0.7
191.10693	3.1
193.10692	0.5
193.12267	1.5
207.13736	0.4
209.11726	3.7
211.13261	3.6
219.12202	2.2
221.13815	6.6
223.15408	0.7
231.17456	0.4
233.18988	21.1
234.19347	0.6
235.13246	3.2
237.15088	0.4
239.14914	1.2
247.20393	0.6
253.14363	1.2
255.15904	3.0
259.20581	3.3
265.16440	2.2
275.20029	0.6
275.23645	1.7
277.21628	28.7
278.21899	0.8
279.15820	1.8
283.17535	2.5
297.16959	0.7
299.18515	1.5
303.23154	2.9
309.18961	1.6
315.17746	0.6
319.22610	0.9
321.24231	8.2
322.24478	0.7
323.18417	0.8
327.20111	1.0
331.61334	0.3
353.21674	1.1
359.20627	0.5
365.26950	0.5
371.22589	0.7
397.24005	0.5
447.25519	0.4
474.44583	0.3
535.31213	0.6
561.24860	0.5
579.33759	4.2
592.21326	0.4
603.40131	0.8
621.26599	0.5
647.43140	1.1
676.23706	0.6
691.46173	13.8
692.45740	1.5
708.25415	0.7
708.39008	4.7
708.48322	13.5
709.38965	0.7
709.49133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
55.05512	7.5
57.03173	1.6
57.03435	12.1
57.07076	1.7
61.02928	9.4
62.90066	0.9
63.03096	0.9
63.08884	0.9
65.03950	1.2
67.05157	1.6
67.05506	22.7
69.03434	2.5
69.07081	8.3
71.04984	3.6
71.45466	1.0
73.02910	3.3
74.71574	0.8
79.05493	25.8
81.03451	1.5
81.07059	28.6
83.04978	1.6
83.08620	4.5
85.02905	9.0
85.06548	3.0
91.03960	8.6
91.05481	21.0
92.05820	1.3
93.07049	33.9
95.04978	4.0
95.08608	24.5
97.02905	6.2
97.06548	3.2
97.10173	4.3
97.75584	1.0
99.08094	1.8
105.07034	21.9
107.08600	21.2
109.06509	1.5
109.10162	9.0
111.08089	2.3
117.07037	6.5
119.08580	15.3
121.10159	17.9
123.08054	2.3
123.11752	2.5
125.09656	2.7
127.03917	2.7
129.06990	2.4
130.27609	0.9
131.08577	12.6
133.10129	15.6
135.08054	1.5
135.11694	15.7
137.09608	1.7
143.08551	3.8
145.04938	3.4
145.10130	10.4
147.11690	12.2
149.09601	1.6
149.13284	7.4
157.10112	3.7
159.11671	10.6
161.13281	9.5
163.06024	3.0
163.11243	2.1
163.12650	1.0
163.14803	2.6
165.12720	1.6
171.11725	3.3
173.13269	7.0
175.14836	3.8
177.12730	2.6
185.13231	3.3
187.14803	6.8
199.14801	3.5
201.16357	3.7
202.37502	1.0
203.14427	1.0
205.15889	1.9
219.17436	4.2
221.54065	1.0
231.21042	1.8
241.19588	10.2
259.20587	21.5
261.22330	1.8
269.17465	3.7
277.21658	18.1
308.16641	1.0
312.25607	0.9
333.24277	6.1
349.23889	1.4
351.25308	100.0
352.25696	3.9
369.26306	3.7
375.25467	1.0
403.24695	1.1
421.25848	1.3
459.27454	1.3
477.28830	2.1
495.29373	3.8
513.30603	10.0
729.98523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	7.2
57.03428	7.1
61.02923	12.5
67.05504	20.9
69.07072	6.9
73.02893	3.8
79.05489	28.4
81.07050	23.7
83.08618	4.1
85.02905	13.0
91.03960	9.8
91.05485	29.9
93.07037	40.8
95.04977	5.6
95.08605	13.5
97.02877	6.3
104.75861	2.1
105.07016	30.9
107.05061	2.7
107.08595	21.2
109.06564	3.3
109.10165	7.1
117.07026	9.8
119.08601	18.7
121.10114	23.1
124.89313	2.4
124.98336	2.2
127.03950	4.7
129.06982	5.6
131.08574	11.1
132.04666	2.4
133.10109	22.4
135.08134	3.5
135.11653	11.6
143.08563	6.8
145.10115	8.7
147.11696	17.0
149.13245	8.1
149.89545	2.2
152.03764	2.6
157.10114	4.4
159.11688	7.3
161.13243	13.8
163.06026	9.0
171.11652	7.2
173.13284	6.0
175.14804	7.4
185.13243	7.2
241.19414	14.6
259.20569	39.2
277.21570	3.1
278.25082	2.9
333.24243	10.6
349.23721	4.2
351.25259	100.0
352.25513	4.8
375.25089	4.0
387.25049	2.9
404.05798	2.5
441.26401	6.8
477.28354	4.4
495.29489	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	710.4316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29085	0.9
55.05513	8.4
57.03442	5.8
57.07085	6.8
61.02930	23.1
67.05508	42.5
69.03436	3.8
69.07075	16.1
71.05006	1.5
71.08643	5.1
72.21015	1.0
73.02926	6.2
79.05489	11.7
81.07060	52.9
83.04991	1.4
83.08627	11.2
85.02905	31.7
85.06549	2.4
85.10206	1.5
91.03960	21.7
91.05486	8.9
93.07041	14.7
93.07592	1.2
94.78822	1.3
95.05013	1.9
95.08611	44.7
97.02901	17.7
97.06547	4.8
97.10180	8.9
99.08096	2.3
105.07036	7.0
107.08593	9.4
109.02878	1.6
109.10168	24.0
110.10506	1.2
111.08102	2.3
111.11730	3.6
115.03957	1.7
119.08593	6.7
121.10139	15.7
123.11704	15.2
125.13261	1.3
127.03913	10.6
132.31325	1.1
133.10150	10.5
135.11690	9.4
137.09683	1.9
137.13271	4.7
139.11163	1.8
141.12764	4.0
143.83151	1.1
145.04980	15.3
147.11711	6.3
149.13257	8.7
151.14865	5.0
155.14348	2.5
161.13258	10.4
163.06017	17.4
163.14836	9.4
165.12839	1.4
165.16357	8.4
175.14822	7.3
175.77522	1.1
177.16345	1.5
179.14270	2.4
179.17958	6.8
189.16393	6.2
194.10268	3.0
203.17992	1.8
212.12360	1.2
213.85477	1.2
245.22658	61.0
246.23059	2.4
263.23709	100.0
264.24063	4.9
265.25299	1.9
281.24774	4.2
288.36975	1.2
288.93579	1.1
294.44775	1.5
305.28091	1.2
337.27386	64.9
338.27606	4.3
355.28421	20.8
356.28796	1.2
499.32883	1.7
559.36224	1.3
710.42719	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.05292	0.9
55.05516	10.6
56.89837	0.6
57.03224	0.8
57.03439	9.3
57.07076	1.4
61.02917	1.7
65.03939	2.8
65.44521	0.7
67.05507	47.7
67.64026	0.8
69.07065	7.6
71.04999	1.6
71.08608	1.1
75.06107	0.6
77.03967	1.2
79.05499	24.1
81.07058	32.4
83.04971	2.4
83.08618	3.3
85.06551	1.4
91.05484	75.5
92.05801	1.5
93.06460	1.3
93.07051	27.0
95.04973	4.5
95.08613	24.1
95.09218	1.5
97.06549	1.5
97.10175	2.0
98.22619	1.6
98.97627	0.7
99.08092	0.9
103.05470	0.9
105.04541	1.4
105.07034	34.1
107.04925	1.0
107.08602	13.6
109.06522	1.8
109.10149	10.6
111.04422	1.1
117.07025	4.9
119.08599	7.3
121.10155	9.9
123.11705	3.8
128.06216	1.8
131.08583	7.8
131.39983	0.8
133.10135	82.3
134.10451	1.3
135.11685	7.3
136.12012	0.8
143.08559	5.7
145.10181	4.1
147.11710	3.0
149.13266	1.8
151.11191	4.2
159.11729	2.6
161.09641	11.6
161.13275	2.5
163.11191	0.9
163.14838	1.1
173.13245	1.6
179.10619	0.8
197.11719	2.4
230.72353	0.8
243.21143	2.5
251.12762	3.4
253.14357	57.1
254.14574	1.5
261.22168	6.3
317.24841	2.6
335.25815	100.0
336.26230	4.6
513.35791	75.8
514.36188	6.6
531.36707	2.0
655.83527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.0346
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49767	5.7
71.68130	1.2
131.08896	1.3
174.60278	1.3
235.00113	3.3
236.88283	1.4
236.99771	2.2
240.98918	2.7
242.98807	3.0
246.06548	1.2
259.00034	24.7
260.00177	8.0
260.99899	17.4
261.02789	2.7
261.99802	1.8
264.99301	2.1
266.98706	2.2
274.97961	1.4
276.98135	1.5
277.01077	15.8
278.01126	9.1
279.00839	12.1
283.00006	79.1
284.00119	35.3
284.99808	61.8
285.99966	4.8
298.97617	1.5
301.01062	100.0
302.01144	44.6
303.00873	77.3
304.01114	6.2
316.95844	3.1
316.99072	3.4
317.99130	1.9
318.98889	3.7
319.02164	3.1
320.02304	2.5
321.01953	3.2
340.95526	2.5
356.97101	5.5
357.97195	3.0
358.96518	11.8
359.00323	4.1
360.00253	5.5
361.00122	13.5
364.99438	3.4
365.99405	1.6
366.98849	5.1
383.00204	8.1
384.00345	4.9
384.99896	14.8
398.94855	4.9
401.01306	35.1
402.01410	27.1
403.01007	68.4
404.01108	5.3
407.00259	2.2
409.00342	6.1
416.95557	2.6
425.01172	17.6
426.01349	13.3
427.01117	32.4
428.01401	3.2
440.95575	8.1
441.95969	1.7
443.02533	35.0
444.02469	27.4
445.02170	77.5
446.02301	8.6
458.96844	7.4
485.00247	2.9
499.98135	2.3
500.98117	14.7
501.98395	3.1
502.97711	3.1
509.00311	4.7
524.98035	9.7
526.00983	5.9
527.01270	29.2
528.01184	4.3
540.99933	1.9
541.99524	2.4
542.99280	17.9
543.98914	4.1
544.98694	3.9
549.01215	9.3
550.01410	8.7
551.01215	44.7
552.01318	5.4
567.02380	14.3
568.02734	12.7
569.02313	69.5
570.02057	7.5
584.99939	6.1
586.00317	2.5
606.99774	1.8
608.90826	2.3
609.00262	35.4
610.00208	6.2
627.01373	12.7
649.01007	1.8
650.01337	3.0
651.01404	47.5
652.01123	5.5
669.02679	9.0
670.01978	2.0
690.98669	1.5
693.00549	16.2
694.00537	3.0
711.02875	11.0
732.00970	1.8
733.00018	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16729	3.6
59.05002	19.2
62.76151	4.2
65.03926	4.0
69.03420	4.5
76.62457	3.8
79.05486	10.6
81.03412	4.9
83.95967	3.3
85.02910	8.5
86.12727	3.7
89.06044	15.2
91.05482	17.3
95.04962	4.4
103.05486	10.0
103.07585	13.3
105.07016	12.6
107.04947	19.1
111.04407	5.9
115.05444	10.7
116.11498	3.6
117.06995	4.5
119.04932	16.0
119.08597	8.5
121.06584	4.1
123.04451	6.1
125.05967	5.5
128.06207	4.8
129.06987	4.8
131.04906	14.7
131.08499	3.7
132.05740	5.4
133.06496	9.0
133.08598	8.8
137.05969	32.0
141.06972	6.6
145.06499	4.2
147.04405	10.7
147.08040	8.6
147.10162	5.8
149.06004	5.8
151.07515	5.8
153.05492	12.1
154.26505	3.8
157.06415	4.0
159.08096	7.1
160.05179	5.6
161.06006	12.8
163.07524	7.4
167.07040	100.0
168.05699	3.5
169.06480	6.5
175.07541	80.3
177.05360	4.9
177.11215	4.2
179.07060	8.5
180.41939	3.5
186.06657	4.1
187.07571	20.4
189.09142	7.9
191.07057	13.7
193.08560	43.1
193.10184	5.0
199.07455	20.0
201.09013	6.3
205.06619	5.0
210.14651	4.6
218.07217	4.8
219.08052	6.4
231.08009	6.7
233.09560	4.4
246.06827	6.5
247.07477	4.5
249.09029	7.0
251.10663	7.6
260.08112	4.9
261.09097	8.0
263.06943	4.9
265.08707	5.7
274.06165	4.0
276.07816	5.5
277.08594	8.6
279.10117	4.5
289.08600	13.6
290.09268	9.2
301.08664	4.5
304.07040	4.1
305.08099	5.2
307.09634	10.3
309.11066	4.9
311.12802	11.9
319.09491	23.4
320.10522	5.8
321.11130	14.0
337.10703	6.7
339.12280	24.1
340.12997	13.4
341.13815	15.8
351.12296	44.1
352.12958	16.6
353.13876	27.5
355.15283	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22803	2.8
55.05507	6.7
56.53015	2.9
57.03441	6.2
63.33607	2.6
67.05484	5.0
69.03422	17.3
69.07071	61.1
69.52657	7.7
73.02927	3.8
73.06562	8.4
79.05496	7.9
81.03416	9.3
81.07065	10.9
85.02908	35.6
91.05485	12.9
93.07056	14.2
95.04966	3.5
95.08602	4.6
97.02885	12.7
97.06529	21.4
98.22729	3.4
105.07015	14.7
107.04978	2.7
107.08601	4.4
109.02918	4.5
109.06508	22.8
115.07571	27.7
117.07000	6.5
119.08595	29.2
121.06537	12.7
121.10174	9.5
125.09618	3.8
127.03945	7.8
128.06241	5.6
129.07043	6.7
131.08586	11.3
133.10150	4.0
137.05983	4.5
141.06929	4.1
142.07826	3.6
143.08565	24.8
145.04994	5.1
145.10114	28.3
147.11671	9.9
149.09590	5.9
155.08560	16.2
157.10132	18.4
159.11739	7.8
161.09651	3.3
163.11192	5.9
166.07700	3.3
167.08598	4.4
167.10657	16.3
169.10133	12.1
171.08098	9.6
171.11710	13.7
173.09692	6.8
173.13341	4.5
177.05739	3.1
179.08539	3.5
181.10175	8.7
183.11702	8.5
185.13235	7.0
193.10153	11.6
195.11676	5.3
197.13333	4.7
199.14896	3.6
207.11659	16.9
209.13277	4.1
211.14708	3.6
219.11726	4.4
220.12477	4.3
221.13318	9.6
223.14932	8.0
228.15135	3.4
232.07271	2.7
234.14127	8.1
239.18042	16.9
243.46625	2.7
249.16400	90.2
250.16805	4.4
267.17456	81.5
268.18112	4.7
269.19089	4.8
279.21091	5.2
285.18509	6.5
297.22198	12.7
309.18381	6.1
315.23270	3.6
327.19540	33.3
328.19931	3.2
357.24188	4.8
364.11520	3.0
387.21677	100.0
388.22028	5.0
393.27875	4.7
405.22916	5.2
411.28925	12.4
429.30093	4.0
471.31528	6.5
549.34259	75.0
550.34253	4.9
675.36786	3.6
703.04535	3.0
711.20825	14.0
711.38910	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	712.463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01874	11.4
55.05517	17.3
57.03439	18.2
57.07076	2.2
59.05007	1.5
61.02917	3.0
65.03968	2.1
67.05508	65.4
69.03419	2.3
69.07071	16.6
69.22341	3.1
69.22742	4.2
71.01344	1.8
71.04998	5.9
73.02918	1.8
79.05501	50.8
81.03415	2.4
81.07059	48.4
83.04987	25.8
83.08633	9.9
85.02892	3.5
85.06538	4.2
86.09750	1.6
91.05489	21.9
92.05800	1.5
93.07048	68.9
95.04964	7.4
95.08609	36.8
97.02895	1.8
97.06536	13.2
97.10164	7.2
98.23388	3.2
99.08127	1.8
105.04538	2.4
105.07036	13.8
107.04981	2.4
107.08595	42.7
109.06499	3.0
109.10162	16.2
111.08086	6.2
116.37014	1.2
117.07037	8.9
119.08583	14.3
121.10144	20.3
123.11710	3.4
125.09624	2.7
130.69006	1.2
131.08569	6.2
133.10130	9.6
135.11697	49.1
137.13266	1.9
145.10158	13.0
147.11685	3.7
149.13268	5.5
153.12749	11.3
159.11708	4.2
161.13281	2.9
163.11179	7.1
163.14877	2.3
173.13281	4.8
181.12248	17.2
212.56352	1.3
227.12759	4.1
235.78928	1.3
243.21048	3.6
253.14513	1.6
255.15927	100.0
256.16187	1.9
260.54666	1.3
261.22153	10.6
289.25232	1.7
312.28592	1.5
317.24808	2.2
335.25800	79.0
336.26038	4.7
423.32648	3.2
441.33951	1.9
459.34476	1.8
497.36148	2.4
515.37335	82.6
516.37561	5.7
533.38202	6.0
571.46960	2.2
729.33923	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3614
Annotation	Tunicyclin C
Peak:m/z	Relative Intensity
52.64349	0.6
56.05029	1.2
58.06590	0.7
60.04533	0.9
68.05009	0.9
70.06590	100.0
70.70033	0.9
71.06166	0.6
71.06924	1.2
74.06071	5.3
78.98439	0.5
82.06574	2.0
84.04492	1.3
84.08147	0.9
86.09695	4.3
96.04502	0.7
99.05577	2.0
99.09238	1.0
100.07635	1.0
101.07162	1.2
112.07620	2.4
113.07144	2.1
115.08694	0.9
122.05981	0.7
123.05491	0.9
127.08670	16.5
130.06526	27.2
132.08072	4.1
137.07111	0.7
138.12784	3.7
139.08681	1.6
141.06592	2.0
144.08134	1.4
145.06067	1.0
145.09698	3.1
151.08704	2.4
155.08145	39.2
156.08157	1.9
157.09703	1.4
158.09525	0.5
159.07719	2.4
159.09157	21.4
159.10464	1.1
165.06639	1.1
167.08177	2.1
168.08049	1.1
169.06189	1.1
169.07623	2.5
170.06056	1.7
172.10802	1.5
173.09219	3.3
173.12808	0.7
179.08128	2.1
183.07751	0.7
183.09247	1.9
184.10808	3.9
185.09221	0.7
185.10796	1.0
187.08659	3.0
194.09314	0.9
195.09160	7.3
195.15036	0.7
196.09851	1.0
197.09190	0.6
197.10780	1.4
198.08698	0.7
207.07629	4.1
209.12657	0.6
210.08722	1.1
210.12381	4.5
211.12344	2.8
212.10269	8.4
212.12041	0.8
213.10388	0.9
223.08667	0.6
224.10324	1.2
228.13412	2.8
229.09781	0.9
230.11205	1.1
234.12398	0.8
237.13708	0.7
238.11841	25.0
239.08177	1.2
239.11971	1.3
242.11278	0.5
255.14571	2.1
256.10352	1.1
256.12918	16.4
257.09238	0.8
258.12390	2.8
262.11963	1.6
273.15372	0.6
280.13065	1.9
280.16660	1.0
281.16013	5.0
283.14075	2.5
290.11267	4.5
296.19980	0.6
298.15332	0.6
299.17142	2.2
307.13947	0.7
308.12576	1.7
309.15668	6.9
310.16177	0.7
324.19464	0.7
325.14990	0.9
327.16910	9.5
333.15692	1.1
337.18674	0.8
344.19302	3.1
345.15274	0.8
361.14981	2.0
369.19370	1.4
379.15976	3.3
395.22986	0.7
420.22446	3.9
428.19373	1.1
438.23523	2.1
440.22827	2.6
465.24734	1.1
467.24066	1.2
469.26013	1.1
485.25055	5.5
486.25183	0.7
491.26108	19.0
492.26358	1.6
495.23584	2.0
509.27213	9.8
510.27710	1.0
513.24591	11.0
514.24890	1.1
527.28271	1.1
537.24298	1.4
564.26062	0.9
565.24091	1.7
566.29547	0.8
572.28308	0.8
582.26648	8.2
583.27478	0.9
600.27759	7.9
667.35211	3.0
668.34375	0.9
677.33856	3.2
685.36877	5.3
695.35114	18.5
696.35156	2.6
713.36108	7.4
714.36353	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37606	0.5
56.05034	1.1
60.04536	1.1
68.05036	0.9
69.12619	3.0
70.06592	100.0
71.06132	0.4
71.06915	0.9
74.06075	6.0
82.06578	1.2
84.04506	1.5
84.08137	0.9
86.09706	4.5
96.04520	0.7
96.08112	0.6
98.22682	1.0
99.05609	2.3
99.09241	0.6
100.07626	0.8
101.07127	1.1
111.09245	0.6
112.07621	1.8
113.07124	2.3
115.08702	1.7
123.05567	0.8
123.09241	0.8
127.08672	17.4
130.06529	25.7
132.08083	4.7
137.07172	0.7
138.12769	4.0
139.08665	0.7
141.06601	2.3
144.08092	1.9
145.06094	1.0
145.09721	3.5
151.08658	2.5
152.44775	0.4
153.46413	0.5
155.08150	37.9
155.11775	1.6
156.08260	1.2
157.09732	1.5
158.08289	0.7
158.09529	0.8
159.07703	3.4
159.09152	21.6
163.03899	0.7
165.06734	0.8
167.08112	1.2
168.08006	1.0
169.06186	0.9
169.07623	2.1
170.06032	1.5
171.09187	1.1
172.10843	1.8
173.09201	2.9
173.12828	0.5
179.08170	1.9
183.09212	1.6
184.07494	0.6
184.10829	3.0
185.09233	1.0
185.10786	1.0
187.08678	3.3
194.09358	0.7
195.09192	8.1
195.10934	0.7
195.14922	0.6
197.10806	1.6
207.07652	4.6
209.12970	0.6
210.08804	1.1
210.12361	4.0
211.12369	3.7
212.10249	7.8
212.11960	0.8
213.10368	0.6
224.10333	1.4
228.11620	0.7
228.13393	2.5
229.87367	0.4
230.11163	0.9
230.13118	1.2
234.12393	0.7
236.10329	0.8
238.11862	22.3
239.08098	0.6
239.12160	1.0
241.09880	0.5
244.10959	1.0
255.14485	2.3
256.10410	1.2
256.12961	15.3
257.09030	0.7
258.12433	2.9
262.11896	1.5
273.15591	0.7
280.13013	2.1
281.13220	0.9
281.16025	3.9
283.13895	3.2
290.11307	3.2
291.11554	0.6
299.17154	1.6
307.14120	0.7
308.12512	1.4
309.15610	7.5
325.15085	0.7
327.16949	9.8
333.15622	0.9
337.18729	0.9
344.19363	2.0
345.15610	1.2
351.20569	0.5
354.17639	0.8
359.17462	0.6
361.15051	1.6
369.19217	0.6
379.16040	2.7
396.18790	1.1
410.18149	0.6
420.22534	3.1
428.19318	0.7
438.23416	1.9
440.22809	2.9
469.25629	1.0
485.25168	5.7
491.26105	17.8
492.25784	1.0
495.23502	2.0
509.27182	7.6
513.17200	0.9
513.24554	12.4
514.24670	0.8
527.28564	0.8
537.24304	1.4
564.25415	1.0
565.23877	2.1
566.29419	0.7
572.28210	1.0
582.26501	7.9
600.27545	7.1
601.27698	0.7
667.35352	2.8
677.34058	3.4
678.33521	0.6
685.36462	5.4
695.35144	15.8
696.34930	1.2
713.36353	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	714.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.5
55.01867	1.6
55.05265	1.4
55.05517	20.3
57.03444	16.0
57.07072	2.8
57.59956	1.2
59.04995	1.3
60.56581	0.8
61.02926	2.3
65.03941	3.6
67.05508	58.9
68.05811	1.0
68.72686	0.9
69.03438	2.4
69.07075	22.9
70.55286	0.9
71.04989	4.1
71.91647	1.0
73.02924	1.2
77.03921	1.5
79.05499	43.5
80.05759	0.9
81.03418	0.9
81.07061	78.3
82.07357	1.1
83.04987	3.7
83.08623	11.3
85.02898	3.5
85.06531	4.1
86.09706	3.1
86.31418	1.0
91.03925	0.9
91.05483	30.9
93.07049	46.0
95.04969	5.6
95.08613	50.3
97.02879	1.9
97.06536	4.6
97.10173	3.9
99.08100	2.1
105.04511	1.5
105.07033	41.8
107.08601	32.4
107.09342	1.2
107.65191	0.9
109.06522	2.8
109.10165	19.3
111.08074	3.0
111.11717	1.5
117.07009	9.8
119.08587	32.4
121.10146	23.5
123.08057	2.7
123.11723	9.4
129.07002	3.7
131.07657	1.3
131.08575	17.2
133.10138	16.9
135.08080	1.3
135.11699	12.4
137.13255	2.8
139.11198	1.3
141.06949	1.8
143.08565	5.6
145.10120	18.1
147.11687	22.2
149.13266	10.9
149.90782	0.9
151.11142	1.6
155.08578	2.2
157.10107	6.3
159.11716	12.1
161.13261	9.5
163.11201	2.5
163.14769	4.6
165.12762	12.9
166.70111	0.8
169.10072	2.9
171.11644	5.9
173.13266	9.4
173.86304	0.9
175.14827	4.3
177.12758	1.3
177.16377	1.3
183.11699	2.9
184.07343	5.6
185.13316	4.5
187.14857	5.3
189.16405	2.2
189.40004	1.1
191.14258	1.0
197.13293	3.2
199.13298	2.1
199.14867	2.5
201.16347	2.6
205.15884	1.5
211.14742	1.3
213.14735	1.4
213.16423	2.8
215.17946	1.5
217.16042	1.0
219.17355	1.8
225.16347	1.5
227.18176	1.6
229.14342	2.6
229.19481	1.2
231.17392	1.3
231.21051	1.0
233.18977	2.2
239.14099	1.7
239.16426	26.5
241.17731	6.9
243.21152	1.0
245.19009	1.8
259.20605	7.0
261.22150	5.2
267.39948	0.8
271.20599	1.2
273.22067	1.9
285.22089	1.8
287.23810	1.9
289.21490	0.9
297.22348	1.2
299.23740	2.3
301.25253	2.1
305.24811	1.0
313.25092	1.5
315.23251	1.6
317.24725	2.8
327.26846	2.7
329.24673	1.2
333.24310	4.2
335.25815	30.3
336.26068	1.8
353.26712	1.2
355.26306	1.2
391.28012	1.3
405.30084	2.2
407.28094	1.8
407.33066	6.0
419.31647	2.0
425.34109	17.6
429.29822	1.6
435.31113	1.2
443.35202	8.7
447.31183	2.5
461.36371	1.1
481.36258	1.1
489.35477	2.1
499.37848	36.5
500.38040	2.6
517.38922	100.0
518.39227	7.5
573.48468	3.0
661.42810	1.7
683.26898	3.2
714.43091	1.6
715.28790	3.0
715.40460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.1
55.05511	7.4
56.05043	5.6
57.07075	4.2
60.04533	2.8
67.05508	13.0
68.05013	1.3
68.07467	0.9
69.07070	8.5
70.73965	1.1
71.08633	2.4
79.05495	11.9
80.05019	4.3
81.05805	2.4
81.07059	12.4
82.06592	8.7
83.08618	5.3
85.02930	2.8
91.05473	10.1
93.07046	10.6
94.06564	20.6
95.04990	2.9
95.07359	9.6
95.08064	1.4
95.08601	10.6
96.08134	5.7
97.10162	3.1
98.23355	1.3
105.07034	8.2
107.08616	5.2
108.08136	2.6
109.10175	4.3
110.09676	1.1
119.08574	6.1
121.10180	6.6
121.31031	0.9
122.09665	3.0
133.10141	4.2
135.11703	4.1
147.11702	1.0
202.59848	0.9
205.34514	1.0
219.20964	1.3
233.22665	3.7
245.22643	4.7
250.25272	7.2
262.25302	100.0
263.25607	2.9
272.25845	4.6
280.26440	6.5
401.01596	1.0
504.47736	3.1
516.47797	26.0
517.48029	1.9
518.49310	4.7
534.48859	16.6
696.54120	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	715.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75349	0.4
54.76620	0.3
57.03423	0.6
62.46621	0.3
70.06602	0.4
71.46603	0.4
73.02902	1.5
80.68815	0.3
85.02910	0.8
91.05449	0.4
97.02885	0.4
107.04964	1.9
110.07655	0.4
115.03936	0.4
117.03429	0.4
119.04902	0.4
120.04465	0.7
122.06015	1.6
135.04475	0.4
137.06029	1.7
145.02786	0.7
146.06001	0.7
147.04362	0.9
148.05199	1.1
155.22205	0.5
162.05508	7.1
163.03848	0.6
163.06206	0.8
164.07071	3.5
174.05501	2.5
175.06328	0.6
176.07034	1.2
177.05476	1.0
194.07240	0.7
195.08061	0.9
207.08029	0.7
222.06882	0.7
222.09174	1.7
223.07674	0.5
227.06969	0.8
235.07539	0.9
239.06934	0.5
240.07822	5.7
240.10231	1.1
241.08627	3.7
250.08640	1.3
251.09419	0.4
252.07991	0.6
252.10187	1.3
253.08543	1.3
254.08130	8.6
258.11264	1.0
266.08215	0.4
268.09683	20.3
269.10458	100.0
270.10986	6.9
421.17398	1.1
430.15039	1.7
431.15778	4.3
432.16406	1.3
532.70917	0.5
562.19055	1.4
563.19965	44.2
564.20630	5.2
583.22717	3.8
715.26843	6.9
716.26886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11529	0.9
57.57912	0.9
67.05518	1.3
69.93526	2.8
79.05499	1.3
79.28954	0.9
81.07061	1.7
92.80424	0.9
95.08640	2.2
95.15585	1.0
105.07058	1.4
133.10132	1.2
184.07373	1.5
201.10278	1.0
211.12381	1.3
221.10637	1.0
253.13388	1.9
303.14990	1.1
318.16235	1.0
377.17459	1.3
407.18784	1.3
409.20370	3.5
418.17587	1.2
421.20642	1.5
423.21957	2.2
435.22482	1.1
437.19763	2.6
449.19769	2.1
451.21872	1.9
461.19785	1.5
477.19205	2.4
478.19641	1.5
479.20520	1.3
489.19458	1.5
493.21927	1.6
502.20435	1.1
503.21393	1.4
505.19595	1.0
507.21805	1.9
509.25604	2.0
525.25385	2.6
533.21417	1.5
535.23126	1.3
536.23029	1.9
537.24884	1.5
539.24121	1.3
550.25555	1.2
553.24628	1.7
563.23199	1.5
565.24481	5.1
573.49036	1.3
581.24091	1.5
591.22809	1.7
593.24023	4.1
595.25824	1.1
597.26630	2.2
600.28784	1.3
609.23480	1.4
623.25317	1.3
624.26196	1.1
625.26526	3.2
651.24664	1.9
665.25836	2.2
669.25403	1.3
683.27094	34.3
684.27893	3.4
715.29761	100.0
716.30084	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	715.3298
Annotation	Glaberianthrone
Peak:m/z	Relative Intensity
51.28711	0.3
69.12901	2.5
98.22717	0.9
141.17918	0.4
146.89433	0.4
214.52020	0.4
321.48199	0.4
359.10855	0.5
431.05884	0.5
456.81284	0.5
715.33014	100.0
716.33350	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	715.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
58.05886	0.6
67.05491	0.5
69.64462	0.8
69.64838	0.7
79.05567	0.6
81.07048	0.6
93.07043	0.5
93.57554	0.5
95.04935	0.7
98.97617	1.3
105.07038	0.5
110.30833	0.5
110.97557	0.5
112.99135	0.9
125.05982	0.7
149.01225	1.2
158.99710	1.0
160.57306	0.5
181.12306	0.7
188.88356	0.5
189.00737	0.5
321.05096	1.0
492.43665	0.5
715.33002	100.0
716.33374	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	715.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41144	1.0
62.39094	0.8
66.90395	0.8
66.93494	0.8
84.17752	1.0
142.38568	1.0
149.54613	1.0
185.04311	1.5
201.03740	1.1
203.05270	2.6
259.07980	2.9
317.08334	1.2
319.10120	1.7
331.10046	2.4
347.09671	3.1
363.09027	2.1
365.10733	3.2
397.88809	1.0
421.13211	1.7
483.22110	1.5
493.15350	4.9
508.55215	1.0
521.18585	1.8
535.20264	1.4
553.29803	15.5
621.99713	1.2
715.35034	100.0
716.35089	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	715.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31566	0.3
57.29929	0.3
58.24344	0.4
59.22589	0.3
66.95560	0.4
69.70306	1.4
80.01057	0.4
98.23446	0.7
128.89417	0.3
139.71817	0.3
143.98663	0.4
173.11783	0.4
185.04231	0.6
203.05330	1.7
234.69470	0.4
243.80536	0.4
259.07852	1.9
289.67371	0.4
347.09506	1.0
365.10541	3.3
391.24612	1.0
393.89243	0.4
421.13358	1.4
553.29858	20.8
554.29852	1.0
715.35114	100.0
716.23889	0.7
716.35486	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	715.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10819	0.7
56.72336	0.7
69.76964	2.4
81.07083	0.7
91.94543	0.8
98.22710	0.8
140.50240	0.7
155.45212	0.7
164.83548	0.6
182.11050	0.7
185.04266	1.0
198.88857	0.7
203.05246	1.4
259.08026	1.9
323.87247	0.7
332.48965	0.6
347.09610	2.3
359.71484	0.7
365.10641	2.8
391.24805	1.2
421.13254	1.3
493.15802	1.1
529.04053	0.7
535.29950	0.7
545.37543	0.7
553.29803	17.9
554.30469	1.1
715.35059	100.0
716.35522	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	715.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.9
55.05513	1.4
57.03453	1.5
61.02921	5.6
66.70538	0.9
67.05518	4.8
69.03429	2.6
69.07096	1.1
71.28360	0.8
73.02925	3.3
79.05507	4.0
81.03419	2.1
81.07052	4.4
81.59048	0.7
83.04970	1.1
85.02911	4.4
86.09713	1.0
91.03970	3.3
91.05499	4.2
93.07051	4.2
95.08613	2.7
97.02916	3.8
101.02411	1.5
101.45097	0.8
105.07047	2.9
107.08640	1.0
109.10165	1.3
119.08606	1.3
121.10147	1.0
127.03940	1.5
129.47087	0.9
131.08640	1.2
133.10129	4.1
137.00319	0.9
183.11069	0.9
184.07405	3.6
219.09889	5.5
243.06076	1.0
243.08464	2.9
244.48465	0.8
288.35922	0.9
291.46005	0.9
303.06885	1.3
312.43890	0.8
367.17603	0.9
403.82303	1.0
409.20889	1.0
437.17810	2.8
519.29156	10.0
535.32385	0.9
683.26923	1.2
715.29523	8.1
715.40295	100.0
716.29340	1.6
716.40631	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	716.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.7
55.05520	7.0
57.03427	2.8
61.02931	19.1
65.03951	2.1
67.05503	11.7
68.92058	1.5
69.03417	7.3
69.07085	3.4
71.05019	2.4
71.46370	1.7
73.02908	7.9
79.05496	14.7
81.03403	4.2
81.07061	25.6
83.08638	3.7
85.02905	15.0
89.54273	1.6
91.03965	7.9
91.05482	23.1
93.02090	1.4
93.07054	11.2
95.04966	9.1
95.08636	8.7
97.02902	10.3
97.06556	2.0
97.10166	2.6
99.04448	1.8
105.07020	9.7
107.04984	5.3
107.08614	5.9
107.09695	1.3
109.06522	5.2
109.10186	3.7
115.03922	1.8
117.07050	6.6
119.04959	9.1
119.08575	14.9
120.08186	1.5
121.06513	7.2
121.10136	7.7
123.04450	3.5
123.08092	3.7
125.09662	1.7
127.03934	2.4
128.06279	1.5
129.07019	4.5
131.08551	10.0
133.06560	5.4
133.10199	3.8
135.04398	2.0
135.08102	3.0
135.11763	2.7
137.05974	37.6
141.06908	1.8
142.07797	1.5
143.08595	5.5
145.06541	3.8
145.10161	6.7
147.04453	5.7
147.08018	8.6
147.11696	2.1
149.06006	4.4
149.09612	7.9
155.69344	1.5
157.10136	4.6
159.08058	4.9
159.11731	3.2
161.06055	5.5
161.09666	6.7
163.07500	3.7
163.11238	2.7
165.09172	3.2
171.11650	2.8
173.05969	3.3
173.09705	2.3
175.07533	2.2
175.11156	1.6
177.09178	2.7
181.05080	1.9
183.08051	1.9
185.09846	1.9
187.07599	4.6
189.09319	2.0
189.11191	1.7
195.11728	2.2
199.11288	1.7
201.09155	2.3
201.12773	1.7
223.11156	3.1
257.15512	3.7
267.13956	1.8
273.18515	21.7
285.14944	4.5
291.19510	8.9
303.16006	4.0
409.23843	2.1
445.21457	2.6
453.26550	3.4
500.30148	9.1
536.28101	7.5
537.26434	4.5
554.28784	100.0
555.29266	5.6
565.16089	1.7
662.32031	1.6
680.32300	5.9
698.33350	8.9
716.34088	81.2
717.35089	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	717.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
55.87790	2.1
60.69754	2.2
60.78049	2.3
67.05511	3.5
69.07063	4.2
71.04990	2.2
75.04481	19.8
79.05498	5.8
81.07051	3.3
84.93060	2.4
86.09715	4.5
91.05467	2.7
93.07043	3.6
95.08607	4.6
106.11167	2.0
107.08566	3.8
109.10172	2.7
113.08490	2.3
124.99953	2.9
180.49074	2.1
184.07339	15.7
208.09869	2.7
223.12320	2.9
235.12317	2.3
237.13892	2.9
281.05847	2.2
298.13275	2.5
326.12704	2.6
340.14575	2.8
343.12732	2.4
370.15616	4.3
372.17050	5.2
400.16550	3.9
403.15427	3.4
433.19934	2.6
479.24530	3.3
488.21423	2.6
501.18149	2.4
502.18970	2.8
506.23328	3.2
507.23776	9.9
515.20410	3.5
516.21759	6.0
521.25787	5.3
533.21777	3.7
537.24756	2.7
548.24146	3.7
565.24591	4.5
579.26141	5.6
580.26874	74.6
581.26624	7.3
582.25360	3.9
593.23633	4.7
607.25488	4.5
625.27203	10.5
627.31500	5.4
635.24921	19.6
653.26227	2.7
667.27637	100.0
668.27484	9.0
671.30646	4.4
685.29260	28.6
717.30902	30.1
717.44879	29.8
718.30658	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	717.3132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
67.05521	3.2
68.13181	1.8
71.22379	2.1
86.09713	1.8
91.05492	2.4
94.59827	1.7
138.02788	1.8
184.07417	3.4
223.68863	1.9
249.14056	2.1
265.63364	1.8
282.28351	2.4
303.54742	1.8
314.16528	2.1
326.16812	2.5
340.18314	2.1
365.17776	2.4
366.18976	2.1
393.21011	2.0
394.18103	2.9
395.18564	2.9
407.22580	3.7
408.19513	4.1
409.20248	31.2
410.20676	2.7
421.20633	4.2
423.21878	15.7
424.22629	14.3
435.21997	4.5
437.24158	2.6
438.25085	2.4
443.22110	6.5
444.22800	2.1
447.22220	2.3
451.21460	5.0
452.22125	2.9
453.19330	7.7
454.20410	2.5
463.21698	3.7
464.22018	2.1
495.24197	5.7
509.25494	2.5
510.26022	2.8
511.27094	28.9
511.34012	2.4
512.27380	3.9
521.25946	4.4
522.27118	2.5
523.23047	2.7
534.23517	2.0
537.25110	3.5
538.25543	4.4
539.26526	2.2
540.23639	2.6
551.22864	5.1
553.28082	5.0
554.25775	2.7
555.26062	25.0
556.26868	5.5
567.21936	9.2
581.27515	4.0
582.25110	3.9
583.25854	5.7
593.24316	2.9
598.28131	15.7
599.28333	3.2
625.26318	6.7
626.26953	5.5
639.28699	2.2
642.26996	3.9
643.27448	6.6
653.25635	14.4
657.29034	3.7
667.27649	7.2
685.28705	87.7
686.29108	7.3
699.30438	17.1
717.31256	100.0
717.42279	14.5
718.31018	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	717.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37442	0.4
67.05504	0.9
74.15557	0.5
79.01732	0.5
79.05573	0.5
86.09708	0.5
98.97621	0.6
104.10738	0.5
149.63638	0.5
160.23201	0.4
184.07379	1.0
192.26692	0.5
335.22229	0.6
481.98325	0.5
569.21716	0.5
575.39502	0.6
632.94635	0.6
717.34515	100.0
717.45209	6.3
718.34924	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	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58556	0.5
53.03936	0.5
55.01873	0.7
55.05508	1.5
57.03429	1.3
59.30309	0.5
61.02930	3.2
67.05505	4.2
69.03436	1.9
69.07061	0.7
73.02921	3.5
79.05488	2.8
81.03425	1.0
81.07061	3.4
83.04961	1.1
83.08625	1.4
85.02911	3.8
91.03973	2.1
91.05486	1.5
93.07046	4.5
95.04986	0.8
95.08604	2.5
97.02895	2.7
97.06532	1.2
101.02404	1.6
105.07004	0.7
107.08599	1.8
109.02867	0.7
109.10201	1.4
119.08594	0.7
121.10154	1.2
127.03958	1.4
133.10217	0.7
135.11720	3.4
145.10081	0.7
149.13306	0.5
153.12766	1.4
184.07356	2.6
211.79626	0.5
221.11488	2.5
243.08508	2.3
248.18423	0.5
259.15497	1.1
277.14166	0.6
335.25696	0.8
335.91971	0.5
336.26346	0.6
356.14981	0.5
439.19388	7.3
519.29285	4.7
549.99585	0.5
566.72284	0.6
717.41809	100.0
718.42102	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	717.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.6
55.05516	1.5
57.03433	1.9
57.07072	0.7
61.02929	5.4
67.05508	5.4
69.03431	3.5
69.07066	1.5
71.04994	1.0
71.22589	0.6
73.02917	3.5
79.05498	3.6
81.03416	1.2
81.07060	5.2
83.04994	1.0
83.08632	1.6
85.02899	6.0
91.03959	4.6
91.05482	2.4
93.07046	4.5
95.04987	0.8
95.08611	4.5
97.02902	5.4
97.10188	1.5
99.04477	1.0
101.02378	2.1
105.07053	1.8
107.08604	3.3
109.02862	0.7
109.10160	2.1
111.08057	0.5
115.03946	0.5
119.08547	0.8
121.10150	2.5
125.09732	1.0
127.03947	2.1
131.08492	0.6
133.10155	1.0
135.11694	2.9
145.10146	0.7
149.13326	0.6
153.12752	0.9
173.54655	0.5
185.04230	0.9
186.21417	0.5
203.05252	0.9
203.12831	0.6
221.11462	2.4
243.08443	2.1
255.15712	0.5
259.15509	1.0
289.81256	0.6
292.54529	0.6
335.25897	1.7
336.26236	1.3
439.19440	4.9
519.29346	7.5
519.36664	1.0
717.41772	100.0
718.42236	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	718.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40009	1.4
55.01882	2.9
63.04745	1.6
63.34946	1.5
67.05509	2.2
69.07081	1.5
72.64493	1.5
74.62029	1.2
77.83047	1.8
79.05490	4.5
81.03416	1.4
81.07083	1.8
82.01632	1.5
85.02909	3.6
86.09733	1.9
91.05487	7.0
93.03430	5.4
93.07069	4.3
94.04162	2.0
95.04966	6.1
103.05477	24.7
105.04551	1.9
105.07038	5.3
106.04163	12.3
107.04981	7.0
109.06530	2.0
115.05492	3.0
117.07019	3.5
118.04190	3.6
119.04998	1.9
121.06501	16.7
122.03658	5.4
123.04414	3.8
125.05996	6.9
131.04941	42.0
132.05740	2.0
133.06476	3.1
134.03673	2.5
137.05977	74.7
143.04967	2.9
145.06483	5.2
147.04367	2.3
148.05217	13.3
149.05978	21.6
151.03911	76.7
151.05006	5.5
151.07518	3.5
153.05513	2.9
153.09108	6.5
160.05182	2.2
161.05960	4.5
162.01395	2.4
163.03987	3.0
163.07552	25.6
165.05525	3.4
166.06244	1.5
167.06999	14.9
171.06563	1.9
173.06026	3.2
175.07562	5.9
176.04695	2.5
177.05463	19.3
181.04968	17.4
181.08572	10.1
187.07552	2.3
189.09090	2.2
190.06465	1.6
191.07031	100.0
192.07581	3.8
193.08632	2.2
195.06622	1.8
203.07063	3.3
205.08669	4.3
209.08098	95.9
210.08545	1.9
219.10239	1.8
223.04250	19.7
223.09705	1.7
233.08121	4.1
234.06657	1.9
235.09735	2.1
260.22095	2.8
263.09106	18.7
265.08554	2.3
297.11230	1.9
312.08972	3.3
313.08847	1.6
327.12433	4.1
329.13794	1.9
330.09937	1.7
355.11752	5.6
357.13629	2.3
359.15283	2.1
367.15482	2.1
369.13394	2.5
387.14362	33.9
388.14548	1.7
397.16214	2.2
535.97363	1.5
579.22028	2.6
717.45972	3.8
718.47229	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	718.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.8
56.36817	0.9
65.03938	3.0
67.05495	1.5
69.03412	1.0
69.28989	4.6
70.06583	1.4
71.81207	0.7
75.04476	2.6
77.03926	1.1
78.04721	1.5
79.05489	3.2
81.03412	3.1
85.02898	3.1
89.03961	1.0
91.05488	8.5
93.03405	6.9
93.07038	2.5
94.04201	1.6
95.04955	6.9
95.92287	0.8
97.06536	1.0
103.05469	22.9
104.05745	0.9
105.03401	1.7
105.07024	2.7
106.04182	12.7
107.04958	6.8
109.06512	1.9
111.04427	1.2
115.05423	4.2
117.03413	1.3
117.07010	3.6
118.04153	4.5
119.04968	2.5
120.05767	1.1
121.06501	17.1
122.03638	3.7
123.04426	2.8
125.05988	6.5
127.60749	0.8
129.07011	1.2
130.04135	1.9
131.04926	36.2
132.05696	1.3
133.02878	1.6
133.06480	5.1
134.03630	2.5
135.04417	1.7
135.08083	1.9
135.44696	0.9
137.05975	61.6
138.06410	1.5
139.07544	1.5
141.05460	1.6
143.04930	2.5
145.02829	1.0
145.06467	4.0
146.03653	1.7
147.04401	1.7
147.08038	1.2
148.05185	10.3
149.05978	26.5
151.03905	80.9
151.04996	6.8
151.07550	2.9
153.05472	3.7
153.09100	8.7
157.06511	1.5
159.08081	1.2
160.05226	2.4
161.05971	4.4
162.01375	1.6
162.06712	0.9
163.03876	3.2
163.07545	26.6
165.05490	3.1
165.86702	1.0
166.06323	1.0
167.07042	14.0
172.05174	0.9
173.05992	3.5
175.07599	5.1
176.04645	3.3
177.05463	21.3
179.07027	1.3
181.04951	18.9
181.08582	14.4
187.07558	2.5
189.05388	1.5
189.09071	2.1
190.00941	0.8
191.07024	99.7
192.07487	3.9
193.08632	1.9
195.06529	2.7
203.07014	3.4
205.06662	1.4
205.08604	3.6
208.01888	0.9
209.08083	100.0
210.08487	2.2
217.08499	1.1
219.10204	1.3
221.07971	1.4
223.04240	18.6
223.09679	1.4
231.06552	1.1
233.08047	3.4
235.07489	1.6
235.09631	2.9
237.09131	1.5
239.10712	1.0
249.09152	1.0
253.08739	1.1
260.22137	4.0
263.06665	1.5
263.09152	15.2
265.08481	2.1
267.10068	1.3
277.08743	1.7
295.09753	1.2
297.11087	0.8
305.08096	0.9
307.09512	1.0
309.11191	1.2
312.08990	2.3
325.10727	1.4
327.12344	3.0
329.13815	1.9
339.11926	1.0
341.13675	1.0
355.11679	7.0
357.13129	1.6
359.14899	1.4
369.13370	4.2
387.14352	29.9
388.14688	2.1
391.68967	0.9
444.98346	1.2
459.84772	0.9
492.17114	1.1
717.46234	2.2
718.47113	10.2
739.86841	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
55.01871	3.1
55.05514	3.7
57.03439	1.9
62.21233	1.5
65.03941	24.7
67.05505	12.3
67.43903	1.5
69.03423	3.4
69.07060	4.7
69.13027	9.8
70.06593	1.7
77.03913	2.6
78.04727	1.7
79.05481	4.8
81.03421	3.5
81.07052	16.8
82.04198	5.0
83.08621	2.9
85.02896	8.6
86.09755	1.5
87.00792	1.6
89.06159	1.4
91.05486	5.5
93.03414	16.4
93.07045	3.8
95.01311	3.6
95.04958	6.7
95.08611	13.0
97.02885	3.0
97.06516	2.7
97.10168	2.7
103.05483	3.6
105.01872	2.9
106.04162	9.0
107.04960	20.4
107.08601	2.6
108.02103	2.6
109.02882	3.4
109.10145	6.7
110.03670	18.7
111.04443	24.9
113.42516	1.7
121.02873	16.4
121.03723	1.8
121.04075	1.7
121.06506	9.5
121.10111	1.8
123.04427	1.9
123.11700	3.6
125.05997	25.8
127.03912	4.9
131.04939	1.7
131.70911	1.5
133.06491	2.5
135.11668	1.9
137.05988	2.1
137.13260	2.7
138.03137	2.6
143.22633	1.5
145.06493	2.3
148.05161	2.7
149.05965	15.8
149.13226	1.7
151.07613	2.6
153.05470	100.0
153.09081	4.6
159.07988	4.8
161.05989	3.5
163.03928	3.1
163.14784	1.7
167.07047	18.0
173.05988	1.6
174.06819	1.6
175.07555	3.5
177.05518	12.7
181.04985	1.7
181.06635	2.0
181.08577	8.4
181.09952	1.7
182.08990	1.4
186.06830	1.7
187.07558	3.5
191.07054	2.9
191.08626	2.3
194.07198	2.4
195.08185	1.7
201.05406	1.5
205.06383	2.8
207.08034	2.8
209.08081	46.4
210.06725	1.7
216.07787	6.4
219.08055	3.4
221.09586	1.9
223.04227	20.2
223.07591	2.6
224.08316	2.5
225.09018	2.3
226.06218	2.5
235.07466	3.5
236.08237	2.7
237.09081	3.2
237.22119	2.3
239.07021	5.8
247.09601	11.3
250.06361	1.9
251.10651	4.9
253.08574	13.6
254.09360	4.2
255.23196	8.0
263.07361	1.5
264.07831	3.5
265.08578	4.2
267.10168	1.8
269.11676	5.5
273.24289	18.8
279.10065	3.9
281.08282	1.9
282.08691	3.4
283.09607	3.4
291.08508	7.6
291.25211	9.0
295.28442	1.5
297.11172	7.1
307.09549	13.6
312.08984	3.7
325.10709	55.7
325.14496	3.8
326.11185	4.3
327.12344	1.8
337.10672	2.6
339.12241	24.0
340.12976	3.6
341.13779	6.6
351.12598	2.4
357.13309	59.5
358.13486	2.5
369.13214	4.1
370.13763	1.7
371.14740	1.7
387.14273	5.0
441.28586	1.6
533.18317	1.8
671.29639	1.7
686.89099	1.9
717.48962	27.4
718.49292	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	718.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.5
61.76337	1.2
65.03942	1.3
67.05502	1.4
69.03429	3.2
70.06595	2.2
71.02170	1.2
79.05499	2.2
81.03423	2.3
82.06541	1.5
85.02896	4.5
86.09733	1.4
93.05823	1.4
93.07057	7.7
94.06563	6.8
95.04955	2.0
95.07355	7.3
96.08120	19.8
97.02891	1.9
97.06528	2.2
98.06085	1.4
103.05486	2.9
106.78870	1.2
108.08128	13.2
109.08929	1.5
110.09683	32.2
115.08733	2.3
120.08102	21.5
121.06536	1.5
121.08859	1.2
122.06016	2.3
123.06809	1.4
124.07612	3.6
129.21021	1.4
134.36121	1.3
136.07578	10.8
137.25455	1.2
138.05507	2.3
138.09143	44.9
146.05974	2.1
148.07553	9.9
150.09152	3.2
161.05942	1.3
163.03954	1.2
164.07024	1.5
166.04921	2.4
166.08638	86.6
171.54375	1.1
172.03908	5.2
190.05000	2.9
204.06573	5.0
205.04724	3.2
206.08195	2.2
206.60056	1.4
223.08662	2.3
225.10333	3.4
227.08144	4.3
237.10178	12.5
238.10938	1.9
239.08183	5.0
239.11786	2.6
241.09727	5.1
243.11221	2.0
249.10213	1.3
251.08189	4.4
252.08875	1.3
253.09731	12.6
255.11226	4.3
263.13879	1.5
265.09741	24.2
266.06931	1.5
266.10397	3.0
267.07712	3.3
267.11304	8.1
269.09207	2.6
277.09622	2.2
279.07693	3.9
281.09213	17.8
283.10748	14.5
285.09094	1.2
285.12436	1.9
287.10220	3.7
289.69641	1.3
293.09183	18.3
294.09839	2.6
295.10754	18.3
297.08731	1.2
299.10254	6.6
299.13608	1.5
301.11859	3.6
307.10693	1.3
309.08707	4.2
311.10300	17.4
313.11938	2.9
321.08655	13.5
325.11810	4.3
327.09756	19.6
330.12286	1.4
339.09729	35.4
339.13611	2.5
340.09906	1.4
341.11270	3.5
353.11484	7.1
359.12347	35.6
359.15958	1.4
371.12311	22.4
400.16864	1.9
418.17813	6.0
436.18726	2.9
446.16986	8.2
448.18622	2.3
464.18219	15.1
465.18781	1.6
474.16730	4.6
492.17651	100.0
493.17761	5.7
506.19205	10.4
524.20276	91.3
525.20392	5.7
654.22388	5.2
686.24805	1.6
718.24097	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	718.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
60.66052	0.8
66.04704	1.0
69.03425	1.1
69.48122	2.6
78.69291	0.5
85.02885	3.6
91.05470	5.5
94.04179	2.4
95.04996	0.9
97.02853	0.8
103.05471	1.1
107.04968	1.0
109.06497	1.3
119.04919	3.2
122.03642	6.6
128.06190	1.1
129.06995	3.6
131.04904	1.3
131.08551	3.1
133.02917	0.8
137.05980	100.0
138.06314	1.9
141.06967	2.4
143.04964	0.5
143.08612	0.8
147.04485	0.6
149.05991	1.8
151.03914	1.0
151.07532	10.3
153.06976	1.1
155.08560	0.8
157.06479	3.3
158.07265	1.0
159.08080	3.5
160.05101	0.6
161.05992	1.0
163.07524	0.9
167.08510	0.8
169.06473	2.3
170.07231	0.6
171.08029	1.1
174.06773	6.2
175.07529	2.2
177.05496	0.6
177.09114	0.8
181.06552	2.6
183.08051	1.1
186.06760	1.7
187.07562	2.2
189.09105	12.6
191.10733	1.1
195.08005	1.0
197.05937	0.8
198.48688	0.5
199.07545	1.9
201.09090	6.9
203.10663	1.0
207.10017	0.6
211.07518	1.0
213.09120	4.9
215.10686	1.2
217.10297	1.5
219.10159	44.4
220.10474	0.9
225.09076	1.6
227.10675	1.2
229.10121	1.6
231.08058	1.1
231.10199	1.7
235.07582	0.6
243.10217	1.9
245.09570	2.4
246.10332	1.0
247.07442	0.9
248.08382	1.2
249.09042	0.7
253.08542	0.8
257.09613	2.9
259.07404	0.6
259.09592	3.7
261.08868	1.1
261.11450	2.9
262.09808	1.1
262.43616	0.6
263.06952	0.9
263.10587	0.9
273.09039	1.5
274.09854	1.6
275.10614	1.5
277.08530	1.5
277.12375	3.2
279.10339	0.9
279.13916	0.8
283.09799	1.4
285.09143	2.2
286.09903	1.1
287.10480	0.7
289.08762	0.7
289.12231	2.3
290.09305	1.4
291.10144	2.5
293.08258	1.0
293.11725	1.9
297.11316	1.1
301.08643	0.8
302.09442	1.9
303.10147	2.4
305.11597	3.5
307.09705	2.0
307.13257	0.9
308.10336	0.8
309.11285	0.7
316.11234	0.9
317.11688	5.1
318.12509	0.8
319.09717	1.1
320.10461	0.8
321.11209	3.5
322.11926	1.8
323.12766	1.3
329.11630	1.4
333.11252	1.0
334.12015	1.8
335.12701	2.9
336.13754	0.8
337.14316	2.0
339.15887	0.8
341.13632	0.7
347.12735	1.0
348.13815	0.7
349.14362	4.3
351.12402	0.8
352.12894	1.4
353.13828	2.6
355.15460	2.9
365.13846	0.9
367.15408	58.8
368.15607	3.3
379.15399	5.0
385.16473	4.1
397.16449	21.1
398.16718	2.1
473.19498	6.0
485.19199	1.4
491.13498	0.8
491.20697	15.0
492.21085	1.2
503.20926	3.9
509.21945	1.6
521.21820	5.3
591.34363	0.7
717.46893	3.7
718.35278	0.9
718.47101	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	718.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	1.9
57.07078	34.4
67.05524	1.1
69.07072	2.2
71.08636	21.2
71.11773	1.1
73.02893	0.9
73.06561	10.8
79.05486	1.1
81.07066	1.2
83.08625	1.9
85.10179	17.8
86.09712	1.7
87.04473	10.1
89.06033	100.0
93.07063	1.1
95.08604	1.0
97.10170	2.8
99.11752	3.2
111.11642	0.8
113.13250	1.2
117.09137	8.9
125.00043	1.3
130.08635	2.3
131.07053	4.1
133.08614	52.3
135.10146	1.2
148.95193	0.9
155.18010	3.4
159.45058	0.9
161.11757	3.5
175.09686	1.5
177.11224	22.9
184.07317	5.9
199.20581	5.4
219.12465	0.9
221.13844	5.5
239.14969	1.2
243.23204	10.0
283.17328	1.0
287.25803	6.0
309.19031	1.2
311.07773	0.8
327.19934	1.5
355.56506	0.9
383.45026	1.1
465.25955	1.2
547.33093	2.6
668.27472	1.5
701.50793	5.0
718.42700	1.9
718.53430	3.4
719.45807	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3617
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09432	0.7
55.05500	0.8
61.17203	0.6
67.05512	1.5
69.07061	0.8
70.02474	1.3
70.02825	1.3
73.84586	0.6
79.05473	0.9
81.07056	2.5
82.72289	0.7
83.08633	0.9
86.09709	1.1
91.05488	1.5
93.07045	0.9
95.08619	1.3
98.22768	0.6
105.07043	0.9
107.08622	1.0
118.28712	0.7
119.08498	0.7
121.64264	0.6
123.26055	0.6
125.00040	1.0
131.08545	0.8
157.76459	0.6
184.07433	2.9
251.93304	0.6
268.08063	0.6
325.62051	0.7
351.21487	1.0
367.20734	1.6
719.36029	100.0
719.47028	18.8
720.36163	10.0
720.46503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.5
62.25972	0.3
67.05521	0.6
69.07059	0.4
69.22204	1.2
69.22610	0.7
79.05490	0.4
86.09171	0.3
86.09721	0.8
91.05518	0.4
93.07057	0.5
96.75118	0.3
98.22689	0.7
104.10761	0.5
105.07140	0.3
107.08620	0.5
109.10182	0.6
111.26501	0.4
116.81806	0.3
125.00014	0.6
138.09886	0.3
184.07364	2.2
195.43625	0.3
367.20901	0.4
389.56720	0.4
549.76501	0.3
719.36078	100.0
719.46588	7.0
720.36499	8.9
720.48688	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.5
55.01890	0.3
55.05516	1.1
57.03448	1.4
57.07078	0.3
60.55780	0.2
61.02929	4.3
61.89040	0.2
65.03938	0.3
67.05511	3.4
68.10077	0.1
69.03436	2.2
69.07075	0.9
69.37533	0.8
71.01380	0.3
71.04996	0.4
73.02919	3.3
75.04495	0.2
79.05497	2.0
81.03409	0.9
81.07061	4.9
83.01356	0.2
83.04989	0.2
83.08643	0.4
85.02907	3.5
85.06541	0.2
86.09758	0.2
87.04504	0.4
91.03963	2.7
91.05481	1.9
93.07044	2.2
95.04986	0.4
95.08619	2.5
97.02901	3.4
97.06557	0.5
99.04443	0.9
99.08159	0.2
101.02383	1.3
103.03964	0.3
105.07037	1.5
107.08598	1.6
107.29237	0.2
109.02904	0.7
109.10126	0.8
115.03963	0.4
119.08585	1.5
121.10164	1.1
123.08109	0.2
123.11722	0.5
125.46851	0.2
127.03921	1.0
131.08638	0.3
133.10187	0.2
135.11739	0.3
145.04932	0.3
145.10156	0.3
147.11697	1.8
148.39023	0.2
165.12842	0.4
173.13414	0.2
177.83194	0.2
184.07362	1.0
185.04285	0.7
203.05298	0.4
223.13121	0.3
239.16530	0.6
240.77888	0.2
243.08377	1.6
266.29266	0.2
335.25854	0.3
441.21008	7.4
442.21509	0.4
519.29272	3.0
519.36273	0.2
522.38452	0.3
582.28088	0.2
669.29120	0.2
719.43439	100.0
720.43781	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	1.3
65.26025	0.6
67.05497	1.8
69.07064	0.8
70.16536	0.6
79.05506	1.1
81.07066	1.3
86.09712	4.8
94.15594	0.7
95.08636	0.8
98.23460	1.5
105.07085	0.8
116.23833	0.6
125.00033	3.1
130.49352	0.7
184.07350	12.8
261.09610	0.8
321.16681	0.9
330.57349	0.7
549.26410	0.7
721.37610	100.0
722.37372	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	723.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02365	0.5
69.32500	2.4
72.08157	60.4
79.05479	1.0
86.60159	0.5
89.03918	7.1
89.10794	6.6
98.06058	0.9
98.23441	0.9
107.04937	1.5
107.56535	0.5
117.03388	8.0
117.84381	0.4
125.55170	0.5
126.90832	0.5
127.84525	0.5
135.04419	14.5
139.03912	2.9
141.83571	0.6
145.01711	0.5
145.02855	10.3
147.04442	0.6
147.32736	0.5
163.03911	52.6
164.04283	1.0
164.07092	0.6
165.07007	0.5
168.77328	0.4
177.05359	0.8
187.03857	4.8
187.05101	0.5
193.06544	0.6
205.06563	0.5
211.07616	0.7
221.05977	28.2
222.06300	1.3
223.07547	0.9
227.63248	0.5
239.07169	0.7
241.03746	0.8
242.04550	1.1
249.05476	26.5
250.05969	1.7
251.07062	2.1
251.13960	5.7
257.86694	0.5
267.06519	4.8
268.07330	0.6
269.08057	1.4
277.05054	4.0
281.08105	0.5
285.07553	6.7
295.06030	100.0
296.06332	4.2
313.07019	0.9
319.74982	0.5
366.13416	2.1
367.06998	3.8
383.16034	3.4
394.12869	5.7
411.15485	30.4
412.15909	0.7
429.16763	0.5
543.16138	0.8
544.14838	1.1
561.17163	56.3
562.17419	3.0
564.19269	0.5
573.18634	0.9
690.05762	0.6
706.17188	1.3
723.20282	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	723.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.3
57.03441	1.5
58.97038	0.6
60.49714	0.7
61.02933	4.6
67.05512	6.8
69.03438	2.4
69.07078	1.5
70.06584	0.8
71.05022	0.7
71.45293	1.1
73.02927	2.4
73.26830	0.6
79.05499	1.6
81.03408	1.5
81.07042	4.7
83.08629	1.0
85.02898	3.0
88.73736	0.8
91.03977	2.7
91.05491	1.8
93.07074	1.4
95.08617	2.1
95.27079	0.7
97.02880	4.2
99.04533	0.6
101.02377	1.7
101.19566	0.6
103.03961	0.6
104.76477	0.6
105.07054	1.4
106.36937	0.5
106.42546	0.5
107.08614	1.1
109.02905	0.8
109.06530	1.1
109.10182	7.2
114.30217	0.7
119.08614	1.5
121.10165	0.9
127.03969	1.3
147.11725	1.2
173.11836	1.1
189.04510	0.6
195.10164	0.9
229.14444	1.0
236.27773	0.6
243.08372	3.0
256.26468	1.4
333.20450	3.2
381.18188	1.9
389.23022	0.8
413.17780	9.9
414.18137	0.8
423.20255	0.8
551.28278	6.2
641.30658	0.8
723.39233	100.0
724.39673	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	723.393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.9
56.96569	1.0
57.03439	1.1
57.07080	0.7
59.05010	0.6
61.02930	4.0
63.46971	0.4
66.93039	0.4
67.05507	7.9
68.17849	0.5
69.03426	2.7
69.07069	5.7
69.35805	2.3
73.02919	2.7
77.00910	0.7
79.05494	3.4
81.03413	1.1
81.07054	5.8
83.05006	0.8
83.08615	2.3
85.02903	4.0
91.03944	2.5
91.05480	2.5
93.07042	3.4
95.04992	1.1
95.08611	5.3
97.02901	4.3
97.10189	0.5
99.04500	0.8
101.00909	0.7
101.02394	1.5
105.07025	4.6
107.04961	1.6
107.08617	1.9
109.06544	0.6
109.10162	7.7
119.01941	4.1
119.08588	3.0
121.06556	0.5
121.10179	1.5
123.11722	0.6
127.03920	1.3
129.07074	0.7
131.08636	1.8
133.10114	2.2
135.08064	0.7
135.11691	0.6
137.02966	2.3
139.06100	1.4
140.66933	0.5
145.10156	1.2
147.11736	1.5
157.10057	0.5
159.11722	1.2
161.09659	1.2
161.13290	0.8
173.11807	2.1
173.13232	1.0
175.11176	0.4
175.14893	0.9
183.04985	0.7
185.04178	0.7
187.14905	1.2
195.09955	0.7
201.06157	2.1
201.16409	0.6
203.05307	0.5
225.06155	0.8
229.14316	1.0
243.08563	3.4
251.07727	0.6
255.10820	0.7
257.22641	0.6
271.08951	0.5
279.10880	0.6
285.22235	1.1
299.22302	0.6
307.10315	0.6
333.20377	2.7
361.22476	1.1
379.23398	0.8
381.18185	2.2
385.22610	0.8
403.23386	1.9
413.17834	9.0
421.24557	2.1
429.17520	0.7
493.24615	0.5
497.64706	0.5
511.29089	0.8
535.28845	0.8
551.28284	4.7
627.43030	1.0
645.43604	4.8
646.44128	0.9
663.44598	9.9
664.44745	2.2
681.45331	3.2
682.44409	2.1
691.24066	1.0
723.39209	100.0
724.39441	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	726.3909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
55.01870	1.9
55.05518	7.7
57.03441	3.7
57.20604	0.8
60.70472	0.7
61.02925	4.9
67.05508	16.0
69.03430	2.7
69.07076	10.2
70.96613	0.7
71.04977	1.0
73.02917	2.0
76.50037	0.8
79.05492	14.0
81.03421	1.9
81.07059	48.3
83.04965	2.7
83.08627	6.2
85.02908	5.4
85.06565	2.0
91.03943	4.9
91.05486	11.5
93.07050	11.6
95.04949	4.8
95.08603	10.7
97.02870	2.2
97.03967	0.8
97.06516	3.7
97.10168	1.5
99.08080	1.5
105.04497	1.0
105.07034	12.2
107.04947	3.6
107.08598	8.9
109.02902	0.8
109.06519	17.6
109.10161	5.7
111.08108	1.3
117.07020	3.3
119.08586	13.4
121.06477	2.2
121.10159	7.8
123.08041	3.0
123.11707	3.4
127.03921	2.0
129.06970	1.0
131.08568	5.7
133.06470	1.1
133.10123	8.7
135.08058	2.4
135.11719	4.2
137.09642	1.2
145.05042	1.5
145.10130	5.3
147.08040	1.1
147.11685	11.8
149.09636	3.4
149.13255	3.6
151.11166	1.7
157.10152	2.2
159.11671	4.5
161.09630	1.1
161.13260	2.3
161.40648	0.8
163.06053	1.5
163.11200	4.2
163.14854	1.0
165.12764	2.7
171.11714	1.4
173.13286	2.3
175.11218	2.2
177.12778	1.0
187.14873	1.2
242.69702	0.9
247.20619	1.3
257.19037	2.3
269.17560	1.2
275.20059	17.1
276.20395	1.1
293.21069	4.8
349.23734	54.4
350.24091	3.4
367.24808	100.0
368.25247	4.8
483.22858	1.0
511.28891	3.4
529.29919	5.0
673.51654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	4.2
55.05515	15.9
57.03439	9.6
61.02923	7.2
65.66554	1.6
67.05511	30.0
69.03429	2.0
69.07063	11.8
70.27000	3.7
71.04991	3.5
72.23889	1.7
72.36463	1.6
79.05492	21.1
79.29340	1.9
81.03423	2.9
81.07059	27.1
83.04974	6.6
83.08627	11.5
84.36394	1.7
85.02918	8.9
85.06563	2.5
90.24709	2.0
91.03962	5.9
91.05486	19.8
93.07046	24.6
95.04959	18.4
95.08614	16.6
97.02888	5.3
97.06536	3.2
97.10174	6.0
105.07055	15.2
107.04967	3.6
107.08595	22.6
109.06539	5.9
109.10171	14.8
111.04445	6.2
111.08064	4.0
117.07027	13.0
119.08600	14.1
121.06553	2.5
121.10130	15.3
123.11703	3.7
123.88046	1.7
125.09645	6.7
127.03965	2.1
129.07004	2.7
131.08551	11.9
133.10121	13.8
135.08026	3.7
135.11708	5.3
137.24176	2.1
143.08549	4.4
145.10110	12.8
147.11655	6.1
149.09619	9.3
157.10068	2.7
159.11749	7.3
163.11211	8.9
169.10179	2.6
171.11653	3.0
173.11807	4.5
173.13194	2.8
177.12784	2.9
183.11703	2.4
189.11266	2.6
189.16580	1.7
191.63397	1.9
199.14775	2.2
205.12285	2.7
217.15910	3.9
219.17477	3.1
223.13309	8.1
227.12805	1.9
229.14384	20.5
229.29198	1.8
235.16943	3.2
239.18010	3.4
253.17743	2.0
257.19037	6.2
269.17505	9.5
270.18155	2.5
275.20065	19.0
283.19003	4.4
293.21182	8.5
309.20544	25.7
343.64673	1.9
349.23746	33.7
350.24091	2.8
367.24780	100.0
368.25119	7.0
408.19897	2.0
453.24878	2.3
511.28970	2.7
529.29987	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	726.3911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.01871	1.3
55.05513	8.4
57.03440	4.3
61.02926	4.8
64.95688	0.8
65.47416	0.8
67.05506	11.6
69.03424	2.8
69.07066	9.4
69.48337	3.2
71.05006	1.2
71.08633	14.6
73.02938	1.3
79.05506	7.2
81.03422	4.1
81.07056	10.8
83.04995	2.9
83.08611	5.9
85.02901	4.5
85.06559	0.9
91.03970	1.7
91.05500	4.1
93.07040	6.2
95.04977	5.2
95.08614	4.8
97.02905	2.5
97.06515	1.3
97.10175	6.2
99.08092	8.3
105.07037	3.7
107.04979	3.0
107.08615	5.2
108.05779	1.1
109.06518	2.4
109.10163	3.9
119.08592	1.6
121.06561	4.5
121.10134	2.2
123.08127	0.9
125.09609	4.9
127.03899	1.3
131.08562	1.1
133.10135	3.8
135.08093	1.7
137.09534	1.1
139.11168	1.7
145.04930	1.3
145.10136	1.1
147.11720	1.7
149.09674	1.6
149.13229	1.3
151.11205	1.8
157.10202	1.0
157.12238	2.0
165.12755	1.3
167.10698	1.0
177.12764	2.0
179.13113	1.0
189.11218	1.8
193.12267	5.2
200.21989	1.0
206.30539	1.0
211.13358	1.3
227.12813	2.3
229.14349	3.4
267.15982	2.7
275.20123	5.3
285.16977	12.9
293.21115	86.2
294.21457	2.7
349.23975	1.2
367.24805	100.0
368.25174	5.5
376.97168	0.9
429.21329	1.3
529.29950	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	727.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.5
55.01874	1.1
57.03436	1.0
61.02927	0.7
65.03954	0.2
68.99789	0.8
69.03062	0.3
69.03428	5.5
70.06564	0.2
70.22145	0.1
71.05003	0.9
71.46312	0.1
73.02918	1.2
77.40486	0.1
81.03416	6.7
83.01350	0.3
85.02903	9.1
87.00830	4.0
87.04475	0.1
91.03957	0.3
92.02612	0.5
93.03391	0.5
96.55387	0.1
97.02887	3.5
98.03256	0.1
98.21058	0.2
98.71689	0.1
99.04445	2.1
105.01861	2.2
105.07028	0.1
107.04926	0.2
109.02877	5.4
111.00794	0.4
113.20992	0.1
115.03960	0.2
117.01843	0.8
121.02884	0.9
126.03186	0.2
127.03910	7.8
129.01823	0.7
133.06482	0.5
139.03926	0.7
145.02881	0.2
145.04945	2.5
147.02888	0.5
151.03854	0.7
153.01817	4.0
154.02089	0.2
159.02888	2.9
161.05980	0.5
163.03891	0.3
165.01842	0.6
177.05482	0.5
182.69247	0.1
200.04732	0.1
201.05411	0.3
213.03922	0.3
217.04974	0.4
218.05746	0.2
228.04147	0.5
229.04950	1.6
231.02881	0.3
231.04990	1.4
237.09044	0.4
243.06419	0.2
245.04437	0.3
246.05168	1.3
255.10184	0.6
256.03589	0.2
257.04468	1.7
260.03143	0.3
261.07556	0.2
271.06012	0.3
273.03958	1.0
274.04718	3.5
284.03207	0.4
285.03931	3.6
286.04428	0.2
288.06155	0.1
302.04187	10.5
303.04556	0.5
317.06531	100.0
318.06876	4.5
338.93512	0.1
341.06662	0.3
359.07620	0.9
383.07184	0.2
411.83496	0.1
467.63223	0.1
479.11829	15.0
480.11966	0.9
547.10876	0.2
565.11578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26036	0.4
65.03944	0.6
71.08318	0.3
72.08158	1.3
84.08139	3.5
89.03936	0.5
91.05482	3.4
100.29801	0.4
101.10780	1.0
102.09181	3.8
107.04955	0.4
116.45164	0.4
117.03410	0.7
119.04942	12.8
119.11823	7.3
142.08716	0.4
142.21414	0.3
142.63487	0.4
143.01826	0.3
145.02858	3.0
147.04405	100.0
148.04742	2.3
157.29933	0.4
163.03905	1.0
164.07042	0.5
177.05478	5.6
218.11761	25.8
219.10147	0.5
219.12033	0.6
230.11763	2.2
245.54288	0.3
247.14420	27.3
248.12666	0.7
248.14821	0.8
256.64499	0.4
265.15472	67.7
266.15707	1.9
271.35507	0.4
275.32501	0.4
279.13406	1.2
292.05774	0.4
297.14493	2.7
317.06464	0.5
343.98737	0.4
398.43814	0.4
575.13177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01861	1.4
57.03436	6.5
61.02931	2.6
65.03931	0.8
69.03426	9.3
69.52405	1.5
71.01347	0.6
71.05000	0.5
73.02918	13.3
79.05489	1.3
81.03413	1.4
83.96850	0.3
85.02904	14.9
85.18456	0.4
87.04467	0.6
87.34836	0.3
91.03940	0.4
91.05479	1.2
95.04977	1.4
96.53261	0.4
97.02894	13.6
99.04426	0.4
103.05450	1.0
105.04478	0.5
105.07028	17.9
107.04951	28.5
109.02877	1.1
111.04406	1.3
115.03933	7.4
115.05417	3.3
119.04944	3.1
121.02867	32.3
121.03878	1.0
122.03204	0.5
123.04415	1.6
127.03905	3.9
129.16904	0.3
131.04942	0.6
132.06570	0.6
133.06487	100.0
134.06845	1.1
135.04410	1.4
143.04951	2.6
144.05682	4.1
145.04955	4.8
147.04393	0.7
149.05959	1.5
150.07648	1.2
161.05974	65.1
162.06285	1.0
163.03859	0.4
163.06042	1.7
165.07024	0.4
166.07761	0.7
171.05545	5.1
175.43817	0.4
181.06392	1.7
181.10114	0.9
191.08537	5.8
193.04984	0.4
194.07307	2.0
194.11852	0.3
194.23225	0.4
195.08026	0.7
201.06879	0.5
203.07040	0.6
209.09642	4.9
213.09125	1.8
218.07246	1.3
219.08031	15.9
220.08540	0.8
222.18359	0.3
223.06012	1.0
227.10658	2.6
229.07628	3.2
237.09096	80.0
238.09384	2.1
241.07053	0.9
247.08705	0.4
255.10155	96.4
256.10480	2.7
259.08081	0.9
279.10165	0.7
289.09073	0.4
295.10226	2.1
297.11279	0.7
317.06668	1.1
318.06833	1.4
333.11096	0.4
398.10739	0.4
511.15671	0.4
536.37921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
55.05513	11.0
57.03438	8.6
61.02924	7.3
67.05508	32.5
69.03431	6.0
69.07056	8.1
69.17191	10.1
71.05003	3.8
71.08627	16.1
73.02909	2.7
79.05484	15.5
81.03413	7.1
81.07058	31.7
81.07511	3.1
83.04982	5.3
83.08607	10.0
85.02916	14.4
85.06570	3.0
91.03967	7.3
91.05469	14.1
93.07042	26.8
93.86957	1.7
94.90260	1.6
95.04972	4.8
95.08613	15.8
97.02899	6.8
97.06555	4.1
97.10173	9.4
99.04448	2.4
99.08102	11.5
105.07021	10.1
107.04938	2.4
107.08591	12.8
109.06539	2.7
109.10165	17.4
111.08149	3.2
117.06999	4.3
117.09157	1.9
119.08579	5.7
121.10149	7.7
125.09631	8.2
127.03918	5.1
129.07036	1.8
131.08572	4.1
133.10121	5.3
135.11688	7.6
143.08594	3.0
145.04961	2.7
145.10197	5.4
147.11739	4.6
149.13240	8.1
151.11188	11.0
159.11688	8.0
161.13249	10.9
163.06032	3.6
163.11165	3.5
165.12723	2.1
173.11736	10.5
175.14856	3.3
177.12758	8.4
179.14308	7.0
185.13261	2.6
189.11296	8.9
195.13884	3.2
227.12798	10.7
229.14380	26.2
241.19424	3.7
245.13901	6.0
259.20639	4.6
261.13333	2.3
269.17490	52.1
277.21597	20.3
295.22626	1.8
351.25296	100.0
352.25549	4.3
365.45523	2.1
369.26318	9.5
413.21777	2.7
427.15875	1.9
431.22229	1.8
495.29514	2.4
525.56018	1.8
729.33002	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	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.9
53.03950	2.3
55.01877	3.2
55.05517	18.8
57.03176	1.4
57.03439	16.0
57.07072	2.6
60.05648	1.8
61.02930	8.3
61.44618	0.8
63.15963	0.9
65.03935	2.8
67.05506	80.0
69.03441	7.8
69.07072	20.4
69.55004	3.8
70.70365	0.9
71.01354	5.1
71.04995	5.4
73.02922	3.2
73.59512	0.9
74.04845	0.7
77.03939	0.8
79.05493	44.9
81.03423	9.7
81.07058	65.7
82.07390	1.1
83.04977	6.2
83.08614	8.3
85.02904	11.4
85.06544	3.5
91.03957	3.3
91.05482	47.4
93.07046	44.7
95.04971	20.3
95.08611	41.5
97.02893	4.5
97.06538	5.1
97.10186	3.2
99.04473	3.6
99.08120	1.0
101.06001	0.9
105.04522	2.5
105.07030	29.7
105.07735	1.5
107.04961	1.9
107.08598	24.0
109.06524	3.6
109.10164	25.9
111.04478	1.4
111.08094	2.6
113.05997	1.8
115.05459	1.2
117.07025	9.9
119.08582	21.2
121.06513	1.7
121.10149	22.6
121.10986	1.6
123.08085	4.6
123.11708	6.3
125.09610	1.7
128.06204	1.9
129.06992	1.4
131.08566	10.5
133.06488	1.8
133.10130	23.0
135.08063	4.0
135.11684	10.5
137.09602	5.7
137.13245	2.2
139.11188	2.5
143.08577	4.3
145.10120	6.9
147.11688	6.7
149.09683	1.9
149.13274	5.6
151.11195	6.0
153.09164	0.9
155.25948	0.8
156.69890	0.8
157.10179	1.3
159.08060	0.8
159.11694	4.4
161.09608	8.2
161.13266	5.8
163.11243	1.4
163.14839	3.1
173.11908	1.3
173.13200	4.2
175.14827	2.1
178.23515	0.8
179.10657	9.1
184.07375	2.1
185.13301	1.5
187.14778	2.2
197.11722	7.1
199.14920	0.9
201.16428	1.1
213.14743	2.0
215.12740	1.1
229.14253	1.9
243.21100	4.5
253.14311	4.8
254.14806	1.0
261.19348	1.4
261.22150	14.1
266.95258	0.8
271.15396	80.9
272.15784	3.1
275.20126	1.7
275.23737	1.0
276.87057	0.9
299.23538	1.0
301.21878	1.1
303.23267	1.2
317.24710	2.3
333.24246	1.1
335.25806	100.0
336.26086	6.0
349.23441	1.0
377.26511	1.2
421.30756	1.5
439.32129	3.3
457.32867	2.5
489.35721	18.5
513.35553	6.6
531.36829	44.4
532.36975	3.2
549.38007	2.8
552.38977	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.7
55.01868	3.0
55.05259	1.2
55.05514	17.4
57.03438	15.3
57.07063	3.8
60.05639	2.3
61.02930	6.6
65.03936	3.8
67.05505	77.4
68.05843	1.1
69.03431	8.5
69.07069	17.7
69.11934	2.1
69.12346	5.1
71.01352	3.3
71.04994	5.1
73.02895	2.9
77.03916	1.4
79.05495	43.6
81.03414	9.2
81.07059	63.5
83.04982	6.4
83.08627	6.8
85.02909	10.4
85.06546	3.5
91.03963	1.7
91.05482	43.7
91.06055	2.1
92.05821	1.4
92.74335	0.9
92.83585	1.0
93.07045	45.8
94.07372	0.9
95.04968	23.3
95.08607	43.2
97.02906	5.7
97.06534	6.5
97.10171	2.5
98.23505	1.8
99.04449	3.7
99.08112	1.3
105.04507	2.8
105.07028	26.4
107.04935	2.3
107.08591	24.6
109.06488	4.4
109.10153	22.5
110.10500	1.0
111.08063	3.0
113.06017	1.5
113.09653	1.3
115.05453	1.4
117.07001	8.7
119.08578	21.0
120.08807	1.1
120.16016	1.0
121.06545	1.2
121.10135	21.3
123.08084	3.8
123.11691	6.8
125.09625	2.0
128.06230	3.9
129.05576	1.1
129.07010	1.9
131.07762	1.3
131.08586	11.6
133.10118	21.0
135.08047	3.3
135.11697	10.5
137.09641	6.9
137.13255	1.3
139.11171	2.7
141.07024	1.1
143.08582	5.1
145.10089	7.9
147.07973	1.4
147.11665	7.3
149.09612	2.3
149.13290	6.5
151.11183	4.2
153.71581	0.9
157.10112	2.1
159.11670	5.9
161.09613	7.2
161.13251	3.5
163.14845	2.6
173.13255	4.4
175.14772	1.3
179.10678	11.5
184.07350	1.6
185.13251	1.2
187.14818	3.7
189.12920	1.0
191.14323	1.1
197.11714	6.5
197.13252	1.4
201.16425	1.5
213.14905	2.3
215.12633	1.1
243.21115	5.1
253.14310	7.7
259.20593	2.7
261.22125	16.1
265.60733	1.2
271.15399	97.4
272.15631	1.9
279.23285	1.2
299.23511	1.0
301.21585	1.6
303.23090	3.1
317.24652	3.3
335.25803	100.0
336.26065	3.7
363.25244	1.0
421.30930	3.1
436.56995	1.0
439.31964	5.3
457.33130	4.0
489.35675	10.1
513.35590	6.9
531.36816	49.8
532.36847	3.0
549.37598	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	728.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.2
55.05516	14.3
57.03436	13.3
57.07072	3.7
57.89650	1.7
61.02926	4.7
67.05161	2.8
67.05507	46.5
69.03429	4.3
69.07076	11.6
69.64896	6.4
71.04984	3.4
77.58350	1.5
79.05497	28.3
81.03403	3.2
81.07058	48.9
83.04986	2.6
83.08616	7.9
85.02898	5.0
85.06534	2.1
85.36684	1.6
87.04433	1.6
91.05478	16.8
93.07045	36.8
95.04968	7.2
95.08608	29.0
97.02902	2.4
97.06546	4.4
97.10173	2.2
105.04499	1.7
105.07031	15.6
107.08588	24.5
109.06512	3.7
109.10152	26.0
111.08059	2.4
117.07021	3.1
119.08584	13.7
121.10161	13.3
123.08054	1.8
123.11711	13.0
125.09623	2.9
127.11207	2.8
131.08553	7.7
133.10135	14.9
135.08058	1.7
135.11644	9.3
137.09615	2.4
143.08557	1.7
145.10071	4.4
147.11685	2.7
149.13264	6.3
151.11215	8.8
159.11676	5.2
161.09674	2.1
161.13191	3.2
166.94456	1.7
169.16698	1.7
173.13274	2.9
179.10681	5.5
187.14864	1.8
197.11792	2.9
215.12750	13.9
243.21097	7.0
261.22122	26.7
271.15396	100.0
272.15671	3.2
317.24826	5.0
335.25806	88.5
336.26083	5.3
374.43112	1.9
451.51294	2.0
457.61499	1.9
512.41296	1.9
531.36786	49.2
532.37317	3.7
549.37726	4.3
645.18896	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	3.0
53.47834	1.7
55.05515	13.9
57.03443	10.4
57.07074	3.4
59.14597	2.1
61.02925	3.8
65.03918	2.1
67.05512	43.3
69.03428	5.2
69.07078	6.7
71.04983	3.5
72.19983	1.6
79.05498	28.6
81.06572	2.5
81.07055	45.2
83.08610	10.0
85.02932	5.0
85.06563	2.8
91.05487	18.1
93.07052	33.5
95.04961	7.4
95.08614	29.7
97.02905	4.4
97.06535	3.4
99.04434	2.2
104.26787	2.0
105.07020	13.7
107.08598	20.6
109.06502	4.1
109.10170	25.9
111.08125	2.9
117.07034	3.7
119.08584	10.8
121.10153	11.7
123.11700	10.4
125.09666	5.8
131.08582	7.5
133.10152	21.9
135.11743	11.2
137.09586	2.2
141.75232	1.8
143.50565	2.2
145.10132	4.6
147.11736	3.1
149.13274	3.5
151.11205	9.3
159.11690	2.1
161.09590	2.7
161.13329	2.2
173.13284	4.5
179.10660	2.5
184.07433	4.2
197.11832	3.5
215.12825	15.7
215.41971	1.7
243.21123	7.1
261.22174	21.0
271.15421	100.0
272.15741	3.1
317.24667	4.1
335.25803	77.8
336.26114	3.3
438.67737	2.2
531.36877	38.7
549.37848	2.9
609.03259	2.1
682.99695	1.9
729.41010	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	729.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25275	0.4
60.08170	0.8
60.28563	0.4
67.05506	0.8
69.29517	2.3
79.83395	0.4
81.07056	1.0
86.09698	3.2
93.01385	0.4
93.07047	0.5
95.08627	0.7
98.11207	0.5
98.98502	0.6
99.78983	0.4
115.91661	0.4
125.00030	2.5
134.33742	0.4
140.98534	0.4
163.11319	0.5
181.12282	0.8
184.07341	11.0
184.08882	0.7
185.07692	1.4
190.56311	0.5
202.46736	0.4
222.62613	0.4
239.49368	0.5
356.37851	0.4
522.87170	0.5
633.22925	0.5
729.41858	100.0
730.21899	0.6
730.42090	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	730.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	1.3
57.07284	1.4
61.54362	1.3
69.03435	3.2
69.62753	2.7
70.33630	1.4
79.05501	5.5
85.02908	8.2
91.05495	5.3
95.06165	1.5
97.02898	3.4
103.05447	2.9
105.07029	15.4
107.04951	15.7
115.05461	5.3
117.07008	3.2
119.08595	5.2
121.06525	2.0
123.04441	4.2
124.05234	3.1
125.05999	1.9
127.03934	2.8
128.06239	3.0
129.06992	9.2
131.04951	4.7
132.05708	5.5
133.06483	15.3
141.06985	2.6
146.00690	1.3
147.04492	1.8
147.08057	6.9
153.05470	1.9
159.08092	4.7
160.05211	5.3
161.05968	17.7
167.07037	100.0
168.07399	1.8
169.06528	4.4
171.08076	2.4
175.07550	79.4
176.04674	1.5
176.07921	2.2
177.05528	2.2
184.05150	1.6
187.07550	16.8
189.09148	2.0
190.07761	1.7
191.07002	10.7
193.08597	46.0
199.07538	8.3
201.09135	4.5
203.08621	2.2
209.08151	2.8
217.08551	2.2
218.07381	2.3
221.09642	2.6
231.08028	1.6
232.08839	2.7
233.09642	3.4
234.06728	3.3
235.07672	1.6
246.06818	1.9
248.08450	2.1
249.09113	7.9
250.31049	1.5
260.08417	2.2
261.09097	5.1
265.08743	2.1
277.08707	4.2
278.71896	1.5
281.11755	13.6
289.08572	5.4
291.10178	2.8
293.11578	2.0
306.08890	2.4
309.11133	7.9
321.11246	8.7
322.11908	2.7
323.12817	1.7
326.11591	3.0
341.13852	48.5
342.14426	1.9
353.13846	40.8
354.14313	2.1
355.15405	24.3
371.14838	3.7
533.20154	2.4
739.52374	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01858	0.9
55.05513	11.2
57.03439	6.7
57.07076	1.7
60.05632	1.8
60.08152	1.6
61.02921	3.1
62.06084	2.5
65.03947	1.2
67.05506	40.7
68.05814	0.9
69.03422	1.8
69.07061	10.9
69.17755	0.7
71.04996	11.1
71.08639	1.0
76.02044	0.7
77.03881	0.7
79.05495	28.5
80.05862	0.8
81.03421	1.7
81.07058	26.4
82.07392	1.3
83.04986	3.8
83.08615	5.1
85.02896	3.1
85.06539	1.9
86.09698	8.2
86.16803	0.8
91.03893	1.0
91.05473	13.1
93.07045	34.9
93.53329	0.8
95.04966	4.3
95.08608	100.0
96.08926	1.8
97.02839	1.0
97.06529	4.1
97.10180	2.7
98.98486	0.8
99.08080	0.9
105.04529	1.8
105.07036	10.5
106.07355	1.1
107.08596	14.1
109.06507	1.4
109.10143	7.6
111.08075	1.1
117.07029	3.5
119.08567	7.6
121.10146	19.8
123.08063	7.8
123.11716	2.4
125.00037	4.7
125.09624	3.0
129.07021	1.5
131.08556	8.3
133.10100	6.3
135.11697	5.7
137.05962	1.1
137.09593	1.0
139.11122	1.2
141.09085	4.8
143.37155	0.9
145.10123	5.1
147.11670	3.8
149.09566	3.7
149.13272	3.3
155.10638	1.5
157.10138	1.2
159.10176	4.1
159.11685	3.7
161.13235	2.7
167.10680	1.3
171.11668	1.1
173.11743	1.9
173.13263	2.4
175.14941	1.2
179.10823	0.8
184.07350	23.0
187.14838	1.5
199.13342	3.0
213.14749	0.9
229.14401	2.4
241.14398	3.6
241.19418	0.9
261.22064	2.4
271.15494	2.1
272.15738	1.5
273.16937	16.0
274.17307	0.9
283.32721	0.8
335.25797	16.0
336.26157	2.5
337.27283	1.3
363.25006	1.0
365.28506	1.0
371.34976	0.8
383.29648	2.0
401.30365	0.8
409.30911	1.5
451.27435	0.8
457.33228	4.7
475.34207	63.6
476.34491	4.4
483.34473	1.2
489.35645	1.9
501.35797	10.6
502.36591	0.9
533.38373	32.8
534.38928	3.8
635.24976	1.8
713.17084	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05516	12.5
56.04773	1.2
57.03437	16.4
57.07067	1.6
60.08152	6.8
61.02923	4.0
65.03928	2.7
67.05502	43.6
67.05863	2.2
67.26864	1.3
69.07065	17.2
71.04987	11.8
71.07364	3.8
75.12029	1.1
77.03928	1.4
79.05038	2.7
79.05493	43.0
81.07060	42.4
83.04977	5.8
83.08607	5.4
85.02914	9.9
85.06531	3.6
86.09704	24.3
91.03980	1.6
91.05477	17.0
93.06448	2.8
93.07046	55.9
94.07355	1.3
95.04955	5.8
95.08015	2.8
95.08602	37.0
97.06532	9.9
97.10186	2.7
98.98479	3.7
99.04448	1.8
99.08076	1.5
105.04469	1.2
105.07039	15.0
107.07903	2.1
107.08589	20.3
109.06503	1.7
109.10169	12.9
111.08101	3.4
111.11772	1.3
117.06998	5.3
119.08584	14.1
121.10146	42.9
122.10444	1.3
123.08068	7.3
123.11674	3.6
125.00010	17.0
125.09656	2.4
129.41147	1.3
131.08569	7.6
133.10136	6.1
135.11690	17.1
139.11188	14.9
145.10152	12.3
147.11647	4.0
149.13240	4.7
153.12733	7.5
159.11691	4.7
161.13274	3.0
163.11182	9.5
163.14825	2.7
173.11903	1.4
173.13280	4.6
175.14766	1.6
181.12230	7.1
184.07347	85.5
185.07768	1.6
187.14806	1.9
199.13306	16.1
243.21095	7.3
255.15839	2.5
259.20395	1.6
261.22119	18.0
262.22519	2.3
273.16965	100.0
274.17355	3.1
277.58224	1.2
317.24509	2.5
335.25800	77.1
336.26071	5.3
353.26880	2.0
402.69577	1.3
454.27954	1.3
459.34518	4.0
475.34061	1.7
511.85028	1.5
515.36823	2.0
533.38397	56.2
534.38519	5.3
551.39136	3.6
730.45068	4.4
731.39899	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	730.474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01884	1.7
55.05514	14.6
57.03442	18.2
57.07072	3.8
59.52777	1.2
60.08158	2.2
61.02903	3.2
65.03947	2.1
67.05503	55.1
67.05865	2.7
69.03412	1.7
69.07069	23.2
69.60672	1.3
71.04993	10.5
75.04491	1.3
79.05493	48.8
81.07059	54.1
83.04988	5.6
83.08630	7.4
85.02910	11.5
85.06530	3.8
86.09702	13.2
91.05474	19.1
91.21982	1.5
93.07047	59.5
95.04970	6.5
95.08606	41.3
95.09208	2.5
97.02895	1.5
97.06542	11.6
97.10160	4.3
99.04455	5.0
104.10694	1.3
105.07043	13.9
107.08593	24.3
109.06551	1.9
109.10149	17.0
111.08059	2.9
117.07025	4.7
119.08588	17.1
119.50479	1.3
121.09267	2.5
121.10145	48.2
122.10571	1.5
123.08081	6.1
123.11742	3.4
124.99987	6.8
125.09645	2.7
125.78352	1.6
131.08546	7.2
133.10152	10.8
135.11691	20.6
137.09625	3.4
139.11180	14.8
145.10127	14.1
147.11700	5.7
149.13252	6.4
153.12746	9.9
159.11678	4.3
161.13283	4.6
163.11189	10.4
163.14857	3.1
164.30527	1.4
173.13258	3.6
175.14897	1.5
181.12215	9.6
184.07356	41.3
199.13324	10.3
238.31731	1.4
243.21089	5.8
255.15991	4.6
261.22159	21.1
271.15405	1.7
273.16959	96.7
274.17410	2.7
317.24850	3.9
335.25797	100.0
336.26123	4.1
459.34308	3.8
515.37042	2.1
533.38403	70.2
534.38586	4.8
551.39532	2.6
559.35461	1.9
562.83020	1.6
635.24677	3.9
643.25116	3.7
730.45532	2.9
731.40063	4.7
741.62982	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52524	0.8
55.05515	1.6
60.27244	0.7
67.05502	4.9
79.05485	2.4
81.07053	3.3
91.05484	1.8
93.07039	2.6
95.08600	2.5
97.10164	1.5
105.07031	1.7
109.10172	1.7
119.08572	1.4
120.08070	1.0
121.10142	1.0
131.08609	0.8
153.39456	0.9
208.09940	1.4
209.10674	1.6
210.11450	1.2
212.13055	1.0
221.10706	1.1
222.07829	0.9
222.11374	1.1
223.12311	2.7
224.13104	0.9
225.13794	1.9
235.12279	1.0
237.13887	3.4
239.15408	1.0
249.13721	1.4
251.11789	0.9
253.13271	0.8
257.13864	2.3
260.13235	0.9
269.12784	0.8
273.13568	1.3
275.15497	0.9
326.12790	0.8
335.25717	3.2
342.12347	0.8
371.15991	0.8
377.17770	0.8
382.15689	1.0
391.19052	1.1
402.14792	1.2
403.15079	1.8
404.20374	1.1
405.20663	3.2
414.17734	0.9
415.15451	1.0
416.15985	1.2
417.16760	1.8
417.21521	1.1
418.17676	1.6
419.22256	2.6
420.23297	1.3
431.18533	2.5
432.19452	1.1
433.20633	1.3
435.17978	1.6
445.20135	1.3
447.22174	3.8
448.22568	1.1
449.19745	3.4
450.20349	2.7
451.20920	0.9
457.16348	1.2
461.23450	1.3
462.24271	1.9
463.21606	1.9
464.21933	2.4
465.22699	3.0
473.19269	2.5
475.21478	1.5
477.22906	1.3
478.23309	1.6
479.24814	5.0
487.21301	1.9
488.21906	1.8
489.23239	1.5
493.22290	2.9
501.19382	4.1
502.19720	1.7
505.21921	2.4
506.23178	4.2
507.24045	16.6
508.24670	2.1
515.20673	3.3
516.21594	6.9
517.34906	1.2
519.23712	1.1
520.24518	3.5
521.25482	7.4
530.06042	1.0
533.21698	3.2
537.24762	4.2
547.23645	1.2
548.24164	5.0
549.24493	1.3
551.23230	1.0
552.26746	2.6
553.28168	1.1
565.24634	6.2
575.22797	2.5
579.25977	6.6
580.26794	100.0
581.26837	6.7
607.25513	9.4
608.26044	1.2
623.28333	3.2
635.25049	20.4
639.28033	3.2
655.31177	1.1
667.27588	61.2
668.28247	4.7
699.29456	2.5
731.39087	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	731.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08166	1.4
67.05504	3.9
67.90778	0.9
69.07076	1.3
69.68015	3.2
71.07377	1.2
75.65992	1.1
79.05504	3.3
81.07063	3.7
86.09717	6.3
87.96649	1.1
91.05487	2.3
93.07069	2.8
95.08603	2.7
98.22746	2.0
101.10714	0.9
104.10719	1.1
107.08616	1.3
109.10125	1.3
112.29942	1.0
119.08529	1.1
125.00006	4.9
134.06071	2.4
151.99121	1.1
181.12201	1.3
184.07352	23.8
185.07710	2.9
187.93013	0.9
207.09216	1.5
208.09904	1.5
209.10756	1.3
223.12312	2.3
224.13336	1.2
225.13890	3.2
226.14690	1.2
229.14388	1.0
235.12308	1.3
237.13860	1.6
249.13985	2.3
252.88852	1.1
265.09613	1.2
269.12827	2.1
283.14328	1.0
335.25723	1.6
352.14200	1.6
358.15564	1.3
388.16739	1.4
391.19180	1.2
403.15518	2.1
404.20032	1.3
414.18597	1.4
417.16940	2.4
419.22476	1.5
431.18173	2.0
432.19760	1.5
443.14548	1.6
449.19754	1.4
457.16449	2.2
458.16678	1.4
459.17786	1.9
460.18289	1.5
462.24017	1.2
463.21094	1.9
465.23358	1.5
470.17206	1.9
473.19623	4.4
474.20700	2.0
475.21283	2.4
487.21204	3.4
488.22070	2.0
491.20755	2.0
499.21295	1.6
500.18594	1.6
501.19128	6.6
502.19934	3.1
505.22122	3.3
507.23743	1.2
515.20642	8.4
516.21759	6.7
517.21948	1.2
519.23138	1.5
520.24182	1.4
521.24939	1.8
532.20184	1.5
533.21564	4.2
534.21948	1.6
537.24792	2.9
547.23431	4.7
548.24158	2.3
565.23956	2.8
575.22760	10.4
576.23633	2.0
579.26001	5.9
580.26904	18.8
581.27032	3.1
603.22382	3.5
607.25665	8.3
608.26556	1.4
611.28485	1.6
617.24103	1.9
635.24994	100.0
636.25415	11.8
639.28040	2.7
649.26379	2.1
667.27661	35.9
668.28448	4.9
685.28650	1.4
699.30298	11.4
700.30804	2.0
731.40570	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96589	1.0
65.29890	1.1
69.03439	1.3
70.57940	2.3
70.58292	1.3
85.02916	1.1
106.94583	1.1
127.04049	1.2
227.68825	1.2
241.18176	1.3
259.08023	2.3
347.09540	1.7
365.10623	2.4
407.24295	2.5
569.29340	19.3
569.37701	1.8
570.29474	1.8
731.34607	100.0
732.34723	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	732.453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.0
55.05513	14.2
57.03437	16.5
57.07087	3.0
57.82856	1.4
61.02930	6.0
65.03942	2.2
67.05506	75.9
69.03441	4.2
69.07072	10.5
71.04981	9.1
71.46399	1.6
73.02927	1.5
73.07558	1.5
79.05492	29.0
81.07057	46.6
83.04978	2.5
83.08627	10.3
85.02921	4.3
85.06519	2.1
86.09705	6.0
91.03957	1.9
91.05480	20.3
93.07040	36.0
95.04989	6.0
95.08607	36.5
97.02892	2.1
97.06528	4.1
97.10164	4.1
98.00867	1.7
99.04436	1.5
103.98924	1.5
104.10751	2.5
105.04502	2.4
105.07020	11.4
107.08595	17.0
109.06512	3.3
109.09412	3.3
109.10155	49.2
111.08116	3.8
117.07014	6.6
119.08567	18.5
121.10152	15.1
123.08073	2.7
123.11710	3.5
125.00027	3.3
125.09657	2.7
127.18183	1.5
131.08559	7.9
133.10144	7.7
135.11699	8.8
137.09610	7.0
137.13213	2.6
141.08942	1.7
143.08578	1.7
145.10132	7.1
147.07944	2.2
147.11647	7.6
149.13263	6.6
159.11719	3.5
161.13261	5.2
163.14812	2.6
165.12651	1.4
173.11865	2.0
173.13268	5.9
183.10158	13.4
184.07358	13.0
187.14749	1.8
189.11221	3.3
201.11188	10.8
227.12764	3.7
243.21062	10.2
248.98668	1.6
257.13834	100.0
258.14169	3.7
261.22113	27.4
273.22186	5.9
317.24680	3.9
335.25793	79.7
336.26315	3.1
355.31085	1.5
407.29471	1.9
425.30396	3.2
443.31378	3.4
489.36316	1.7
499.34210	13.1
517.27521	3.4
517.35248	67.0
535.36200	7.6
669.26233	2.0
732.41943	5.3
733.42010	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	733.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
55.01862	0.5
55.05508	1.1
57.03441	1.7
61.02928	4.5
67.05507	4.0
69.03436	3.2
69.07069	1.3
69.70779	1.4
71.01360	0.9
71.05010	0.8
73.02911	2.7
79.05498	2.4
79.44489	0.3
81.03423	1.2
81.07059	3.3
83.04974	0.4
83.16171	0.4
85.02906	4.7
86.09716	0.4
91.03966	2.5
91.05499	2.3
93.07051	2.4
95.04973	0.7
95.08610	2.3
96.08969	0.4
97.02889	4.3
97.06558	0.5
97.67805	0.3
99.04450	0.9
101.02383	1.6
105.07036	1.5
107.08611	1.2
109.02902	0.7
109.10158	1.2
115.04012	0.3
117.07037	0.8
119.08591	1.1
121.10156	1.0
123.11712	0.6
127.03945	1.8
131.08582	0.4
133.10156	1.1
135.11765	0.4
145.10107	0.6
184.07294	0.5
185.04207	0.8
195.07108	0.4
203.05309	0.6
213.14984	0.3
237.10992	0.9
243.08481	1.3
413.17371	0.4
455.18988	3.6
519.29156	5.2
733.41266	100.0
734.41510	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	733.4651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61442	0.5
56.71770	0.5
67.05518	1.4
71.46481	0.6
81.07074	1.2
86.09717	0.9
93.07056	0.8
109.10183	0.7
125.00037	1.2
135.66898	0.6
174.13966	0.6
184.07300	3.7
186.57217	0.6
206.19795	0.6
247.13062	4.8
248.13916	0.7
301.17865	1.5
302.17615	0.6
325.17712	0.7
335.19958	0.9
341.21118	0.8
350.12430	0.8
379.22653	1.5
388.38406	0.6
391.22495	1.4
397.23679	1.2
413.11896	0.7
428.24774	0.6
443.93622	0.6
445.27316	1.2
671.42773	1.0
701.43921	2.0
703.45392	4.8
715.44873	0.9
716.46887	0.9
733.46588	100.0
734.46759	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	735.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.7
57.03441	0.7
61.02921	1.9
65.74998	0.3
67.05504	1.4
69.03396	0.7
69.07066	0.7
71.05009	1.4
71.46639	0.4
73.02927	1.2
79.05467	1.7
81.03410	0.7
81.07081	1.8
85.02898	1.8
91.03972	1.5
91.05521	1.2
92.05816	0.4
93.07054	2.2
95.04988	0.5
95.08612	3.3
97.02875	1.9
99.04488	0.4
101.02444	0.7
105.07027	0.8
107.08614	1.0
109.10139	0.4
119.08601	0.5
121.10161	1.3
123.08025	0.9
127.03918	0.6
131.08556	0.7
133.10138	0.5
145.04878	0.4
145.10121	0.4
179.14345	0.4
185.04247	0.4
243.08495	0.5
335.25906	0.6
457.20306	2.3
519.29376	1.4
521.30493	0.6
521.98907	0.4
555.40771	1.0
667.92871	0.5
735.41418	100.0
736.41632	8.1
753.57532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.5
57.03440	1.2
61.02930	2.5
61.12167	0.5
67.05515	2.5
69.03439	1.5
71.04996	1.3
72.37009	0.5
73.02922	1.3
79.05499	2.2
81.07049	2.4
85.02915	1.7
86.09722	0.8
91.03970	1.3
91.05489	1.2
93.07076	1.9
95.08617	3.5
97.02917	2.1
98.22610	1.0
104.16257	0.5
107.08602	0.9
121.10185	1.8
123.08085	0.9
129.45071	0.5
172.03625	0.5
184.07416	1.5
239.12556	0.7
243.08372	0.8
294.38647	0.5
303.36621	0.6
335.25607	0.6
363.89127	0.5
393.38147	0.5
436.58081	0.6
457.20309	3.0
519.29254	1.0
562.19128	0.6
566.62769	0.6
636.81512	0.5
735.41406	100.0
736.41632	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34836	0.9
57.03436	2.2
61.02930	4.6
63.08363	0.7
67.05516	4.0
69.03432	2.2
69.07066	1.4
69.09294	3.3
69.09715	2.4
73.02924	3.8
73.96759	0.7
74.22041	0.7
79.05502	4.1
81.03414	2.2
81.07046	4.5
83.18953	0.7
85.02916	4.5
91.03966	2.2
91.05477	1.2
93.07056	4.8
94.60891	0.7
95.04943	0.9
95.08614	3.2
97.02913	3.1
97.06567	0.9
99.04485	1.0
101.02421	1.8
105.07055	1.3
107.08605	1.7
109.02877	0.9
109.10177	0.9
117.07004	0.9
119.08612	1.5
120.86392	0.8
121.10172	3.1
123.08155	0.7
127.03927	1.0
135.11676	1.0
144.17224	0.7
163.11235	1.0
194.78288	0.8
239.12677	1.8
243.08507	2.1
457.20560	9.1
498.85016	0.9
519.29236	3.2
708.71686	0.7
735.42816	100.0
736.43378	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	735.429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.5
57.03432	1.6
61.02925	4.9
64.32160	0.5
67.05505	4.0
69.03436	2.8
69.07066	1.5
69.13970	3.6
69.18768	0.6
71.04980	0.8
73.02921	3.6
75.81606	0.5
79.05463	3.3
81.03430	1.1
81.07056	3.7
83.04957	0.5
85.02906	3.8
85.45811	0.5
91.03957	3.1
91.05473	2.6
93.07048	3.7
95.08595	3.2
97.02875	4.0
99.04467	0.9
101.02383	1.7
105.07062	0.7
107.08619	1.7
109.10130	1.5
116.55154	0.5
119.08593	1.0
121.10161	2.4
127.03928	1.6
131.08496	0.6
135.11662	0.8
139.11185	0.8
185.04169	1.1
196.55339	0.6
239.12503	3.0
241.07748	0.6
243.08424	1.9
457.20532	5.0
519.29279	7.5
520.29950	0.8
638.27295	0.7
735.42792	100.0
736.43170	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	736.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01853	1.3
57.03422	0.7
58.99584	0.6
65.03938	2.4
67.05489	1.1
70.34164	0.9
70.34492	0.7
75.04465	2.0
77.03911	0.6
78.04696	2.0
79.05504	1.7
81.03412	0.9
81.07037	0.9
85.02892	1.6
86.99075	0.7
87.04449	2.0
89.03899	0.6
89.05975	0.8
91.05470	6.8
93.03400	7.7
93.07042	4.3
94.04181	0.7
94.79733	0.6
95.04961	3.8
97.06545	1.3
100.11243	1.6
103.05470	9.8
105.03433	0.7
105.04475	0.9
105.07004	1.2
106.03510	1.1
106.04176	13.2
107.04969	3.2
107.90115	0.6
109.06518	1.5
111.04489	0.7
115.05475	1.1
117.03399	0.7
117.07028	0.9
118.04140	1.4
119.04933	2.1
121.06503	17.5
122.03663	1.5
123.04427	1.3
125.05978	5.7
129.07005	0.9
131.03949	1.2
131.04921	14.6
132.05679	1.1
133.02879	2.8
133.06473	2.4
134.03627	1.6
135.04407	1.1
135.08075	1.6
137.05975	30.6
139.07561	1.8
143.04916	1.3
145.02834	0.7
145.06458	1.3
146.15250	0.7
147.04329	0.7
148.05154	4.2
149.05977	28.3
150.06232	0.7
151.02107	1.1
151.03905	27.2
151.04996	1.7
151.07553	1.8
153.05464	2.5
153.09100	7.3
155.07083	1.0
157.06520	0.8
160.05086	0.7
161.05939	1.7
163.03915	1.4
163.07558	9.4
165.05479	3.7
167.07043	7.5
168.94987	0.6
173.05975	1.7
173.37480	0.6
175.07561	2.9
176.04716	1.3
177.05486	16.9
180.07849	0.8
181.04979	7.2
181.08574	14.1
187.07513	1.0
189.05418	0.8
189.09032	0.8
191.07027	36.4
192.07706	2.3
193.08588	0.8
197.08072	4.3
203.06973	1.6
205.08563	1.4
209.08081	100.0
210.08397	2.4
222.06613	0.7
227.06946	0.7
235.09769	0.8
237.08992	0.7
249.09143	0.7
263.09070	4.4
265.08578	1.2
301.07437	5.0
306.49451	0.8
313.07397	1.1
327.11963	0.9
337.10849	0.6
355.11652	2.0
369.13239	1.2
387.14362	14.1
579.22058	1.1
596.54504	0.6
619.04962	0.7
735.57178	1.1
736.32440	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.4
65.03948	2.4
67.05502	1.0
68.20891	0.5
69.55844	2.3
75.04465	1.8
76.11877	0.5
77.03911	0.6
77.19670	0.5
78.04702	1.8
79.05479	2.8
81.03426	1.1
81.07082	0.5
82.04198	0.6
84.66136	0.5
84.73106	0.4
85.02904	3.4
89.03913	0.6
91.05478	7.7
93.03415	8.2
93.07037	2.8
95.04964	4.0
97.06516	2.0
103.05469	10.2
105.03394	0.8
105.04494	1.6
105.07031	4.8
106.04173	14.0
107.04954	7.2
108.02023	0.6
109.02872	0.6
109.06504	1.2
109.09542	0.5
110.03688	0.8
115.05455	2.4
117.03329	0.6
117.06995	1.6
118.04169	2.7
118.04865	0.5
119.04928	1.8
119.10855	0.5
121.01136	0.6
121.06502	18.2
123.02650	3.0
123.04408	2.6
124.05201	1.1
125.05983	6.0
129.06984	0.8
130.04135	1.5
131.04932	13.4
132.05695	2.2
133.02879	1.2
133.06491	3.8
134.03615	1.9
135.04396	1.0
135.08060	1.0
137.05981	3.5
139.07539	1.6
140.26411	0.5
143.04930	1.0
143.06020	0.7
144.05708	1.0
145.06528	2.8
147.04407	0.7
147.08011	1.2
148.05174	6.2
149.05974	28.2
150.06433	0.7
151.02112	7.5
151.03877	1.0
151.07542	1.9
152.04637	0.6
153.05492	3.3
153.09097	8.2
155.05971	0.6
156.05669	0.6
157.06438	0.8
159.04396	1.9
159.08012	0.5
160.05200	0.8
161.01697	2.1
161.05994	5.6
163.02101	1.3
163.03886	1.4
163.07529	9.9
165.03702	0.6
165.05461	2.1
166.06265	0.6
167.07033	27.7
168.07379	1.1
171.06540	2.2
173.05983	3.1
174.06702	0.7
175.07564	1.7
176.04779	2.4
176.06055	0.6
177.05460	21.0
177.08974	0.7
178.00835	0.7
178.06036	0.6
179.01611	12.4
179.07005	2.4
180.07806	3.7
181.04959	28.1
181.08566	15.5
181.94043	0.6
182.05310	1.1
187.07494	1.0
191.01604	1.8
191.07025	48.9
192.07639	1.7
193.03110	2.8
193.04797	0.5
193.08621	1.7
195.06496	1.1
197.08160	0.7
203.07043	1.1
205.08630	1.8
207.06435	1.2
207.10066	1.1
209.08083	100.0
210.08421	2.9
211.04248	1.7
212.04927	0.6
217.08534	0.8
219.08215	0.7
219.10123	2.0
221.07860	0.6
223.04182	2.4
225.05730	0.9
233.08113	2.2
235.07605	0.8
235.09689	1.8
237.09138	0.7
245.08162	0.7
251.03717	4.1
253.05325	3.7
261.11484	0.5
263.09134	9.1
267.10178	1.3
271.06375	16.4
271.09296	1.2
283.06363	7.7
297.11267	0.6
325.10733	1.0
357.13281	3.0
359.14774	0.7
367.11627	0.8
369.13376	0.7
383.14777	0.6
385.12952	4.7
386.30957	0.5
399.14273	1.5
417.15381	12.0
736.33167	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51070	1.2
58.97298	1.1
69.03432	2.7
71.45084	1.4
79.05505	1.7
81.03416	1.3
85.02928	2.4
91.05478	5.1
94.04146	1.2
95.04984	2.1
103.05476	2.1
115.05441	2.1
119.04929	7.0
127.40392	1.3
129.07021	4.9
131.04939	3.0
131.08583	1.8
133.02858	11.9
133.06506	1.4
137.05974	48.2
141.07022	2.3
144.05748	1.5
147.04446	5.4
149.05978	3.8
150.06862	1.3
151.03899	6.6
151.07556	7.4
157.06467	3.3
158.07260	1.6
159.08058	6.9
161.05978	7.1
161.09540	1.9
163.07530	1.8
165.05533	1.9
170.07294	1.3
171.08113	2.3
172.08878	1.5
174.06732	2.2
175.07555	5.6
177.05435	1.9
179.06976	2.4
182.07361	1.6
183.08040	1.6
185.09641	3.0
186.07007	1.6
187.07542	7.0
189.09035	9.0
191.07066	2.4
197.09685	2.9
198.06834	4.6
199.07539	3.7
200.08232	1.2
201.09074	4.7
202.07726	1.4
212.08208	1.4
213.09116	10.2
215.10645	3.0
219.08131	2.2
219.10146	15.6
223.20825	1.4
225.09117	4.5
227.10626	1.5
243.10185	10.5
261.11374	1.6
273.11212	19.3
274.09711	1.5
277.08572	1.7
277.12228	1.8
291.10071	3.9
303.10117	1.5
307.09747	2.7
309.11206	2.1
317.12030	2.0
319.09918	1.5
321.11398	2.6
335.12708	1.8
337.14288	2.3
341.13873	4.1
349.14246	3.9
351.12225	1.9
353.13644	1.4
354.14743	3.4
367.15454	31.9
379.15402	10.2
380.15842	2.6
397.16455	100.0
398.16745	4.8
472.08157	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.9
63.02380	0.8
64.01145	0.6
70.06588	0.9
70.73474	0.5
72.08156	59.2
77.38695	0.5
79.05478	1.8
89.03918	9.0
89.10789	8.7
90.30662	0.5
95.04995	0.9
96.41180	0.7
98.06052	0.9
107.04939	3.0
109.06506	1.0
115.08678	1.1
117.03378	12.2
123.04431	2.1
135.04414	22.6
137.02350	0.8
137.05983	17.8
139.03909	1.4
145.02840	19.3
147.04413	1.0
151.03900	1.1
151.76645	0.5
161.05998	0.7
163.03903	100.0
164.04254	2.2
165.06996	0.7
175.57837	0.5
187.03841	2.8
189.05501	1.3
201.05498	2.5
205.06502	1.6
207.08028	0.6
210.06717	0.6
212.03273	0.7
220.05170	1.3
221.05969	7.9
223.07494	1.9
230.04460	1.5
231.02913	2.0
233.05981	0.8
234.06808	0.7
235.07545	4.9
238.06239	1.7
239.06966	0.5
242.04486	2.2
244.06067	4.9
245.04428	0.9
248.04710	2.5
249.05478	9.5
250.06129	1.6
251.07027	2.4
251.13931	4.6
253.08577	1.3
261.70749	0.7
263.07028	8.4
265.08426	1.2
266.05710	7.5
276.03992	1.3
277.05069	11.9
278.05701	2.0
279.06415	1.7
280.07050	0.7
281.08026	3.2
282.08859	0.5
283.09723	0.8
291.06497	4.8
293.08047	2.6
294.05215	12.2
295.04468	31.8
296.04718	0.6
305.04361	4.1
309.07571	41.2
310.07843	1.7
311.09137	9.3
312.09372	0.5
319.06049	1.0
322.04669	2.4
337.07050	37.4
338.07230	1.7
354.09387	0.7
355.08121	3.0
407.16116	0.6
408.14432	12.0
425.17050	40.7
426.17007	2.2
451.14850	0.6
487.08359	1.5
557.17603	0.9
558.15778	2.5
575.18695	65.3
576.18860	4.3
587.20038	1.1
613.48438	0.7
634.63733	0.6
695.80200	0.6
720.19055	1.8
737.21857	14.9
738.21808	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
68.35445	0.5
69.98071	1.4
70.06598	0.7
70.13574	0.5
72.08157	42.0
73.08476	0.7
79.05479	0.9
89.03915	7.0
89.10794	4.3
98.06068	0.9
107.04952	1.9
113.42619	0.5
115.08681	1.0
115.64972	0.5
117.03368	8.3
123.04453	0.6
135.04417	15.1
137.05989	2.2
139.03871	0.9
145.02847	11.7
145.03928	0.9
153.01688	0.5
163.03906	54.4
164.04245	0.7
177.05415	1.0
189.05486	0.6
198.06911	0.5
201.05403	4.0
205.06509	0.6
207.08188	0.6
220.05165	3.5
220.32294	0.5
220.60782	0.5
221.05966	13.6
222.06595	0.7
225.08981	0.6
234.11208	0.7
235.07541	13.6
235.83005	0.5
236.08049	0.5
237.05487	1.2
237.09081	1.1
238.06277	1.5
239.06973	0.5
248.04623	4.2
249.05481	6.6
250.06213	1.7
251.13892	2.2
253.08751	0.6
256.05942	0.8
263.07050	19.7
264.07404	0.7
265.08630	0.7
266.05725	9.7
268.07355	0.8
277.04965	1.4
281.07974	3.2
282.08606	0.6
283.09570	1.3
291.06583	1.8
294.05194	2.2
295.04391	4.2
295.09601	0.7
299.06085	0.7
299.09052	3.5
309.07562	100.0
310.07965	3.9
311.08978	0.8
315.13519	0.6
327.08575	0.7
337.07040	4.3
355.07977	0.7
380.14893	0.9
397.17523	1.8
408.14508	4.7
425.17075	25.2
426.16928	1.5
443.17233	0.8
523.88525	0.5
558.15833	0.9
575.18713	41.6
576.18854	2.2
720.18719	1.2
737.21680	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	737.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09306	0.4
63.02390	0.4
65.83089	0.3
69.89854	1.1
72.08160	43.0
79.05507	0.5
89.03925	7.6
89.10797	5.1
94.63754	0.4
98.06050	1.1
98.23478	0.6
107.04944	2.0
115.08663	0.6
117.03391	8.4
123.04450	0.7
135.04422	15.3
137.05981	4.2
145.02853	11.4
151.03876	0.5
151.63702	0.4
163.03914	58.4
164.04250	1.3
174.06784	0.4
175.18121	0.4
186.91472	0.4
187.03947	0.9
192.05727	0.4
201.05560	2.7
205.06416	0.6
211.09341	0.4
220.05182	3.9
221.05984	12.1
222.06575	0.5
230.04628	0.5
231.02789	0.7
234.11363	0.6
235.07533	13.8
237.05531	1.0
238.06230	2.1
244.06044	0.9
248.04713	3.8
249.05484	7.6
250.06232	1.3
251.07008	0.8
251.13904	2.9
253.08609	0.7
256.06125	1.3
263.07056	20.2
264.07510	0.8
265.08746	0.7
266.05759	10.8
277.05087	3.1
281.08118	4.5
283.09653	1.1
283.57767	0.4
286.85651	0.4
291.06473	3.0
294.05234	3.5
295.04459	8.5
295.09418	0.6
298.11072	0.4
299.09055	3.0
302.90085	0.4
304.85104	0.4
305.04434	1.1
309.07581	100.0
310.07874	3.7
311.09052	1.6
315.13403	0.5
322.04684	0.5
337.07077	7.6
339.08429	0.4
355.08374	0.7
380.14877	0.9
397.17603	2.1
407.16058	0.6
408.14456	6.1
425.17093	26.7
426.17010	1.1
468.53394	0.4
542.33618	0.5
557.16760	0.5
558.16241	1.2
575.18768	49.9
576.18732	2.6
587.20148	0.8
702.40588	0.4
720.19470	0.9
737.21716	10.8
738.21814	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.05506	1.2
57.03445	2.3
61.02917	4.5
62.99339	0.5
67.05515	7.5
69.03434	3.8
69.07070	1.3
71.46889	0.6
73.02916	4.0
76.41808	0.5
77.03613	0.6
79.05496	3.6
81.03403	1.2
81.07053	4.8
83.04993	0.6
83.08627	0.7
85.02914	5.5
86.09717	0.8
88.14423	0.6
89.72245	0.5
91.03946	4.5
91.05492	1.7
93.07055	3.2
95.04961	1.0
95.08617	3.0
97.02886	4.7
98.21198	0.6
99.04484	0.8
101.02399	1.5
104.10741	1.0
105.07037	1.8
107.08607	1.7
109.02899	1.2
109.09530	0.6
109.10149	3.4
109.52959	0.5
117.07092	0.5
119.08591	1.9
121.10169	1.8
127.03922	1.7
131.08661	0.7
133.10161	0.9
135.11716	0.8
137.09659	0.7
145.10146	0.6
173.11765	0.7
183.10271	0.6
184.07469	1.4
201.11140	0.6
217.13931	0.6
219.08852	0.6
243.08484	1.8
304.98096	0.6
335.25925	1.0
413.17755	0.8
441.17294	3.3
459.18436	1.3
486.87308	0.6
519.29358	6.7
520.28931	0.7
719.39667	4.8
737.40771	100.0
738.41235	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	738.479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08870	1.7
53.03939	4.1
55.01874	2.5
55.05517	15.0
57.03426	6.9
64.89642	1.7
65.03933	1.7
67.05161	3.6
67.05510	56.5
69.07071	12.1
71.21251	2.1
77.34867	1.6
79.05495	61.9
79.05950	4.2
81.03424	4.5
81.07061	52.5
82.07401	2.0
83.04992	10.0
83.08620	9.3
85.45387	2.0
86.09698	1.9
88.93439	2.0
91.05487	39.3
93.07048	55.9
95.04967	15.6
95.08608	32.7
97.06526	3.8
97.10171	2.5
102.95605	1.9
105.04517	4.4
105.07028	25.8
107.04973	3.1
107.08586	20.9
109.06492	4.3
109.10146	12.5
111.08046	2.3
117.07065	9.0
119.08587	18.4
121.10146	13.1
123.08044	4.2
128.06218	3.8
129.07005	8.2
131.08583	4.9
133.10121	7.5
135.11696	6.2
143.08554	5.2
145.10110	10.7
147.11685	19.3
148.41873	1.6
159.11655	1.8
161.09637	4.3
161.13266	7.5
162.11412	2.0
169.81143	2.1
171.11673	12.8
184.07373	4.1
189.12752	5.2
198.17497	2.0
207.13803	14.2
261.22141	4.0
281.17462	49.9
333.24460	1.9
335.25812	45.3
336.26312	3.1
505.09265	2.4
541.38922	100.0
542.39282	8.3
597.48547	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	739.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29986	0.7
57.85117	0.6
60.64557	0.7
65.97039	0.7
84.29021	0.7
105.07098	0.8
131.11636	0.7
137.06018	2.2
175.03703	1.1
261.89166	0.7
289.70349	0.7
299.40723	0.6
577.19855	1.3
739.25677	100.0
740.25909	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	739.4458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
56.96568	50.6
67.05505	2.6
69.07060	5.8
72.96048	1.6
74.97620	1.2
81.07050	3.0
82.58975	1.0
83.08617	1.1
84.96020	1.0
85.04984	1.1
86.29452	1.1
91.05511	1.6
93.07013	1.4
95.08609	3.2
98.97581	17.5
98.98303	1.3
105.07037	1.5
109.10122	1.6
112.27082	1.0
116.98625	9.7
134.99648	4.9
137.02724	3.5
144.87701	1.0
155.03821	3.3
173.04819	1.2
177.05937	1.4
181.01756	1.5
181.05315	1.1
183.03328	1.3
184.07307	1.4
189.05945	1.3
191.03818	1.4
195.06970	2.4
199.02806	9.1
201.04295	1.3
209.08574	2.8
214.05180	1.6
217.03738	5.4
219.06943	1.1
221.08475	1.5
223.02609	1.1
227.07574	1.4
229.09064	2.4
231.06973	1.5
231.10603	2.9
233.08661	1.3
241.03844	3.2
243.10707	1.2
245.12201	2.8
247.09982	2.8
249.11635	4.0
251.05876	1.4
253.07510	3.3
257.08432	1.2
257.12314	1.2
263.09430	1.3
263.13260	2.6
271.08530	5.9
287.09781	1.2
295.12222	1.4
295.17358	1.8
297.15594	1.1
297.18881	3.1
313.13583	1.1
313.18411	1.6
315.19928	3.8
318.10065	2.0
333.20883	4.0
341.17911	19.8
359.18930	85.1
360.19400	4.8
377.20001	50.3
378.20221	2.9
382.20609	8.7
395.21039	17.0
400.21539	4.4
401.19934	5.0
418.22754	1.5
419.21014	23.3
437.22272	9.1
460.23651	2.4
637.31635	3.8
643.39923	4.5
651.33350	2.4
661.41284	22.7
662.41223	3.4
679.42419	100.0
680.42975	13.3
697.43524	1.9
702.43835	2.5
720.45135	8.4
739.37024	15.4
739.48712	2.1
740.38000	2.1
763.19275	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.9
55.01876	3.5
55.05515	13.9
57.03448	7.2
57.07072	1.7
65.03953	1.9
66.36066	1.2
67.05508	43.9
67.05869	2.7
69.03425	2.7
69.07068	11.2
69.67007	1.1
71.04991	3.2
73.02917	1.6
79.05496	32.6
81.03416	2.3
81.07059	37.2
83.04987	4.0
83.08618	10.5
85.06563	1.9
91.05482	14.8
93.07043	49.6
95.04971	8.6
95.08607	50.3
97.02888	5.0
97.06546	5.1
97.10197	1.5
98.22707	3.1
99.04456	4.4
105.07025	10.9
107.04947	7.7
107.08593	30.5
109.06507	2.3
109.10161	10.8
111.04467	1.2
111.08102	1.7
117.07027	10.4
119.08588	13.0
121.06525	5.4
121.10142	18.0
123.11729	3.2
125.05973	2.5
130.07834	1.5
131.08601	3.8
133.10101	5.3
135.08124	1.9
135.11693	45.8
136.12018	1.5
139.07570	1.3
145.10127	24.5
147.11655	2.2
149.13246	2.7
161.13272	1.5
163.11179	57.5
163.14848	1.4
164.11481	1.2
165.17261	1.1
173.09627	1.4
173.13239	2.0
178.73744	1.0
181.12270	8.5
184.07407	1.4
195.61290	1.1
196.79501	1.1
209.11746	1.5
219.54219	1.3
227.12782	74.8
243.21005	1.3
261.22110	9.0
283.15402	100.0
284.15811	1.4
317.24747	2.5
335.25803	89.2
336.25983	3.3
378.48160	1.3
543.36810	91.2
544.36761	3.6
595.22327	1.5
599.50781	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.8
55.01868	1.9
55.05513	13.8
57.03448	9.3
57.07066	1.3
57.55929	0.9
60.50753	0.8
65.03944	2.4
67.05506	44.6
69.05231	0.9
69.07072	11.3
71.05000	2.2
71.46586	0.9
75.95107	1.0
79.05494	33.6
81.07059	41.8
83.04980	3.7
83.08630	6.3
84.78078	0.9
85.02908	1.4
85.06533	1.7
91.05480	12.8
93.06439	1.8
93.07044	44.5
95.04964	6.2
95.08608	47.1
97.02892	3.1
97.06540	3.7
97.10143	0.9
99.04455	3.1
105.04518	1.9
105.07024	11.3
107.04953	5.4
107.08595	29.7
109.06516	2.2
109.10161	10.4
111.04430	1.5
111.08115	1.3
117.07007	7.1
119.08576	10.2
121.06555	4.3
121.10140	18.1
123.11705	2.7
125.05978	1.7
130.07822	1.2
131.08566	5.1
133.10123	5.1
135.08058	1.8
135.11694	36.9
137.13199	1.2
139.07556	2.1
145.10117	22.1
145.52077	0.9
147.11717	2.6
149.13261	3.4
159.11684	0.9
163.11186	39.5
163.14813	1.4
164.11679	0.9
173.09656	1.0
173.13248	1.5
181.12263	6.4
196.56859	1.0
227.12784	49.2
243.21143	1.9
261.22070	6.3
262.84378	0.8
283.15393	48.8
284.15646	1.4
317.24835	2.0
335.25797	100.0
336.26178	4.3
338.29193	0.9
357.35556	0.9
500.21545	0.9
528.52423	0.9
543.36829	77.2
544.36823	4.5
561.37415	1.1
599.50659	1.7
681.34460	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.2
69.03455	0.2
70.34229	0.1
82.51723	0.1
94.04045	0.3
99.25768	0.1
119.03562	0.8
120.12157	0.1
136.06186	100.0
137.04614	0.3
137.06662	0.9
163.03912	0.5
172.87788	0.1
180.47368	0.2
182.56111	0.2
268.10406	27.0
269.10681	0.8
273.15063	0.1
546.99884	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72685	0.4
53.03937	0.7
55.01876	3.9
55.05259	0.8
55.05514	11.0
57.03444	3.6
59.05008	0.5
61.02925	5.3
65.03941	0.9
67.05507	15.8
69.03436	2.7
69.06717	0.5
69.07072	8.1
69.83714	1.0
71.04990	2.2
73.02913	1.7
76.91570	0.4
77.03937	0.5
79.05498	14.1
81.03425	6.2
81.07059	28.7
82.07387	0.7
83.04980	5.7
83.08622	7.1
85.02908	7.0
85.06548	1.2
91.03963	4.4
91.05482	9.4
93.07043	10.4
95.04967	6.3
95.08605	8.6
97.02887	2.7
97.06530	4.5
97.10172	14.0
99.04454	1.2
99.08098	1.1
103.05536	0.4
105.04494	0.6
105.07029	8.3
107.04964	3.8
107.08592	9.9
109.02881	0.4
109.06528	3.6
109.10178	5.5
111.04444	6.8
111.08069	3.6
115.03860	0.5
115.05410	0.6
117.07018	4.6
119.04926	0.8
119.08585	9.1
121.06492	3.9
121.10139	5.6
123.04440	0.9
123.08072	12.0
123.11684	0.6
125.06007	1.0
125.09635	15.5
127.03940	1.4
129.07001	3.3
131.04980	0.6
131.08565	4.7
133.06494	0.7
133.10141	4.7
135.08069	3.9
135.11694	4.8
137.09624	3.8
139.11174	1.1
142.07741	0.5
143.08572	2.7
143.10599	0.5
145.04973	1.6
145.06506	0.9
145.10133	7.3
147.08072	3.8
147.11685	3.3
149.09634	3.3
149.13216	1.0
151.11198	0.8
153.09100	2.0
153.12744	3.9
155.08563	0.6
157.10118	2.9
159.08028	1.3
159.11647	2.1
161.09622	3.3
161.13255	0.8
163.06012	1.8
163.11192	10.1
165.09137	3.5
165.12833	0.6
169.10139	0.5
171.10153	1.4
171.11694	1.6
173.09569	1.3
175.11194	3.1
177.12747	1.2
181.12242	5.1
185.13185	1.2
187.11180	0.6
189.11232	9.8
189.12819	0.9
191.10640	3.6
193.12256	3.3
195.11684	0.5
205.12251	0.7
211.13252	0.5
213.12732	0.7
213.16464	0.4
223.13300	1.4
227.12753	5.2
227.17827	0.9
234.53294	0.4
245.13849	0.9
245.19098	1.5
249.14929	1.2
255.17351	1.1
263.20111	0.9
269.17740	0.4
273.18500	13.0
274.19009	0.7
283.15390	1.2
291.19553	25.6
292.19904	1.2
301.16415	0.7
306.00989	0.4
309.20605	5.3
347.22141	2.6
365.23248	40.2
366.23618	2.5
383.24280	100.0
384.24551	5.5
450.73785	0.4
491.26276	0.9
509.27121	1.4
527.28693	1.6
545.29510	5.2
715.65533	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05515	1.5
57.03430	1.5
61.02926	5.7
64.05539	0.6
67.05517	6.6
69.03428	3.4
69.07051	0.7
70.03101	0.6
70.84322	0.9
73.02934	4.0
79.05494	4.6
81.03431	1.5
81.07055	4.9
81.78867	0.6
83.05001	0.7
83.08623	0.8
85.02916	5.4
86.09717	1.1
91.03976	3.5
91.05510	2.4
93.07052	5.2
95.04996	1.7
95.08600	4.5
97.02898	3.7
100.78513	0.6
101.02401	1.0
105.07042	1.9
107.08631	1.7
109.10194	1.0
119.08571	1.5
121.10191	1.5
127.03973	1.3
131.08604	0.8
133.10164	1.1
135.11751	0.7
145.10155	0.9
147.11711	1.2
184.07344	2.9
243.08444	1.4
247.13092	1.2
465.20969	5.1
519.29205	6.1
547.96332	0.9
604.30341	0.7
743.43402	100.0
744.43658	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	744.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.2
55.01861	0.2
57.47911	0.0
63.02381	0.0
66.31099	0.0
69.03453	0.1
69.74745	0.0
70.06538	0.1
77.03923	0.5
79.05489	1.1
81.03409	0.1
85.02879	0.2
85.06535	0.1
91.05468	0.0
95.04964	1.8
97.02881	0.1
105.04514	0.8
106.89129	0.0
107.04950	100.0
107.21092	0.0
108.05271	1.6
119.04901	0.0
122.41435	0.0
123.04372	0.0
145.04973	0.1
145.08592	0.1
163.06082	0.0
191.09157	0.1
213.09093	1.7
214.09473	0.1
215.20401	0.0
269.10214	0.1
297.13251	0.2
325.11240	0.1
473.17529	0.0
513.05109	0.0
593.58356	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
55.01868	2.1
55.05511	12.8
55.48320	0.7
55.96692	0.6
57.03439	11.4
57.07068	1.2
61.02937	3.8
61.03196	0.8
65.03937	2.2
67.05506	45.4
69.03425	5.7
69.07070	14.0
69.65528	1.7
69.65923	1.5
71.05003	3.6
73.02921	1.3
77.03924	1.0
79.05494	41.0
80.05823	0.8
81.03418	3.3
81.07059	40.0
83.04984	7.1
83.08619	4.0
85.02901	5.1
85.06544	2.1
86.09695	1.4
87.04469	5.0
91.03933	1.4
91.05482	21.5
93.07047	54.1
94.07384	1.2
95.04973	6.5
95.08608	33.2
96.08975	1.0
97.02882	2.4
97.06533	3.2
97.10168	1.9
99.08085	1.8
101.02477	0.8
101.05991	1.6
103.05442	0.8
105.04506	2.0
105.07043	14.3
107.04943	2.7
107.08597	27.2
109.06564	1.5
109.10163	12.5
111.08054	0.9
111.11739	0.8
115.03919	2.3
117.07011	4.5
119.08588	9.4
121.06482	1.2
121.10147	55.1
122.10417	1.2
123.08064	5.8
123.11737	3.8
123.92456	0.8
125.09629	2.2
129.07037	2.1
131.08569	22.0
133.06482	2.2
133.10147	6.6
135.08080	2.0
135.11710	6.4
137.09590	0.9
137.13200	0.8
139.11192	3.4
145.10114	4.4
147.11690	4.0
149.09622	18.5
149.13254	4.3
149.53590	0.6
152.93022	0.7
159.08047	2.5
159.11687	3.6
161.13251	3.0
163.14812	2.7
167.10672	14.5
173.13263	3.9
175.14815	1.0
177.09134	3.3
184.07333	3.2
185.11703	4.1
187.14844	1.2
195.10178	4.3
203.12793	0.8
213.11246	3.2
241.14365	3.5
243.21179	4.5
251.12679	1.0
259.15497	1.3
261.22131	17.7
262.22549	1.1
269.13925	3.5
287.14890	66.9
288.15277	2.2
317.24820	3.1
334.71579	0.7
335.25806	100.0
336.26138	5.7
353.26672	1.2
464.06128	0.8
501.35715	1.1
529.34924	1.2
547.36273	32.7
548.36688	3.1
565.37073	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	744.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01873	2.5
55.05511	15.9
57.03178	1.4
57.03437	14.4
57.07053	0.9
61.02916	3.7
65.03941	2.1
66.53120	0.9
67.05504	55.4
69.03436	6.6
69.07064	14.2
69.31400	3.1
71.04990	3.6
73.02892	1.4
77.03930	1.4
79.05492	54.1
81.03421	5.0
81.07053	49.0
83.04977	11.5
83.08623	7.1
85.02900	7.3
85.06563	3.3
87.04468	8.9
91.04941	1.0
91.05478	24.8
93.07041	58.9
95.04962	7.3
95.08604	39.5
95.09112	0.8
97.02888	3.1
97.06516	5.2
97.10173	2.2
98.23426	2.2
99.04465	1.0
99.08083	2.7
101.06033	2.1
105.04512	2.6
105.07035	13.7
107.04938	2.4
107.08590	30.9
109.06504	1.8
109.10159	14.3
111.08097	1.1
115.03913	3.0
117.07015	6.9
119.08577	10.2
121.06514	1.2
121.10143	69.1
122.10469	1.5
123.08071	6.2
123.11699	5.5
125.09628	2.3
129.05495	1.1
129.07005	1.6
131.08553	25.9
133.06468	2.1
133.10139	5.8
135.08098	1.4
135.11714	7.7
137.13261	1.6
139.11177	5.9
145.10155	4.5
147.11673	3.7
149.09616	24.6
149.13242	5.3
159.08073	2.0
159.11684	2.9
161.13252	2.8
163.14896	3.2
167.10677	26.4
173.13297	4.1
175.14766	1.6
177.09132	2.7
184.07336	2.9
185.11710	4.6
187.14862	1.6
195.10147	6.3
203.12790	1.1
213.11235	3.3
241.14357	4.2
243.20984	5.0
251.12700	1.9
259.15332	0.9
261.22144	17.8
262.22394	1.0
269.13779	4.0
287.14877	100.0
288.15146	3.6
317.24695	3.5
335.25787	86.4
336.26047	3.7
353.27026	1.1
501.35260	1.3
520.19659	1.0
527.65613	1.0
529.35596	1.5
547.36224	24.8
548.36688	1.8
565.36963	4.4
744.42255	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36965	1.2
53.03951	1.4
54.57933	1.6
55.05515	16.7
57.03446	7.9
57.07080	2.7
59.04999	2.8
61.02924	4.1
65.03945	2.9
67.05508	100.0
68.28342	1.2
69.03416	2.6
69.07075	14.5
71.04994	20.4
71.22273	1.6
72.93744	1.4
73.02931	2.2
77.31554	1.3
79.05491	32.3
79.68464	1.3
81.03429	1.2
81.07059	40.5
83.04986	3.9
83.08624	7.5
85.02913	2.7
85.06535	3.7
86.09712	2.6
91.05477	24.9
93.06454	2.1
93.07047	43.8
95.04963	4.4
95.08604	30.9
97.02905	1.8
97.06538	3.2
97.10159	3.2
99.08098	1.3
105.04486	1.5
105.07034	11.9
107.08597	19.0
109.06506	2.3
109.10162	65.3
111.08097	2.6
117.07013	5.4
118.41810	1.3
119.08569	16.9
121.10148	16.5
123.11690	3.5
123.12528	1.3
124.62830	1.7
125.00007	2.1
125.09654	1.7
127.41566	1.6
131.08557	8.7
133.10135	4.9
135.11685	15.1
137.09602	7.9
143.08565	1.6
145.10106	8.6
147.11732	4.6
149.13260	2.8
153.40015	1.4
155.10649	2.4
159.11719	1.7
161.13263	2.1
163.11174	3.9
168.42665	1.3
171.11885	1.4
173.11748	5.9
173.13141	2.6
177.52199	1.3
181.12268	2.4
184.07359	7.2
185.13159	1.6
229.14485	1.3
243.15746	2.1
255.15927	4.7
261.22073	3.1
287.18515	20.1
335.25806	29.7
336.25949	2.1
446.16376	1.4
471.34537	2.5
489.35767	92.9
490.36389	6.2
503.37326	2.5
515.37268	10.0
547.39990	86.8
548.40155	6.0
665.12134	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.7
55.01882	1.3
57.82711	0.4
61.02924	0.4
65.03934	2.4
67.05505	2.0
69.03440	1.6
71.01353	1.5
77.03924	0.6
79.05486	2.8
81.03423	1.7
81.07045	0.6
85.02912	2.8
86.09745	0.5
90.04658	0.5
91.05459	2.9
93.03418	0.7
94.04188	1.2
95.04959	3.4
97.02890	0.8
102.04697	0.4
103.02367	0.4
103.03143	0.5
103.05466	14.1
104.05867	0.6
105.03397	0.9
105.04500	0.8
105.07015	2.3
105.22595	0.4
107.04966	4.8
108.02110	1.6
108.10258	0.4
109.06522	1.3
110.03664	1.0
110.07203	0.9
111.04443	1.8
115.05439	2.8
117.06997	2.0
118.04162	2.7
119.04905	1.0
119.08596	0.5
120.90662	0.4
121.02917	0.4
121.06533	1.5
121.10109	0.4
122.03662	2.5
123.04445	1.5
124.05231	0.9
125.05996	1.6
129.06992	1.5
130.04176	0.4
131.04924	18.9
133.02853	1.7
133.06493	3.6
134.03642	0.5
135.04396	1.5
135.08072	1.7
137.05975	45.0
141.05458	1.3
141.06973	0.6
143.04916	1.7
144.05678	0.7
145.06445	2.8
146.03641	0.7
147.04410	1.5
147.08044	0.8
148.05193	9.2
149.05988	2.7
151.03906	100.0
151.04980	6.9
152.04289	1.3
153.05441	3.7
155.04915	0.5
155.06004	0.6
157.06444	2.0
159.04391	0.9
159.08089	1.0
160.05293	1.0
161.05981	3.7
162.06804	0.7
163.03833	0.9
163.07541	18.6
165.05472	2.7
165.09113	0.7
167.07048	9.8
171.04378	0.7
171.06572	1.0
172.04999	0.6
173.06015	3.6
174.06770	0.4
175.07542	6.6
176.04692	1.7
177.05437	2.9
177.09131	0.6
178.06232	1.2
179.07051	1.4
179.08524	0.7
181.04953	18.3
181.08325	0.6
185.05986	0.7
187.07515	2.6
188.08226	0.6
189.05460	1.4
189.09097	1.5
190.06171	0.6
191.07028	90.1
192.07455	2.0
193.04781	0.5
193.08609	1.1
195.06532	5.0
197.05928	0.5
199.07535	0.8
201.05507	0.9
203.06998	3.5
204.07790	0.4
205.06631	1.0
205.08603	4.6
206.07179	0.5
206.42569	0.5
207.06415	0.6
207.08212	0.8
207.10156	1.6
209.08035	3.2
211.07556	0.5
215.07021	0.8
217.06573	0.5
217.08543	1.9
219.08121	0.7
219.10175	1.4
221.07887	0.5
222.06737	1.0
223.09714	1.0
227.06937	0.6
231.06453	1.2
233.08060	3.5
235.07504	0.7
235.09636	4.0
237.09224	2.0
239.06990	0.6
241.08415	0.6
245.08102	0.9
247.09689	0.7
248.08240	0.7
249.09132	1.5
259.09781	0.8
263.09177	17.5
265.08578	1.7
267.10114	0.8
269.17422	0.5
277.08554	1.8
279.10080	1.0
280.07162	0.5
281.11554	0.7
295.09570	1.5
297.11035	0.6
299.09052	1.1
299.12534	0.7
301.10626	1.3
307.09494	1.5
309.11179	1.1
309.20587	1.0
310.20795	0.7
313.10440	0.5
325.10632	2.2
327.12231	2.1
329.13815	1.3
337.10764	2.1
339.12311	2.2
341.13742	1.0
350.24283	0.6
351.12149	1.9
353.13818	0.9
355.11771	7.8
357.13287	4.0
359.14740	0.8
369.13397	6.0
379.11649	0.5
383.14877	0.7
387.14371	45.7
388.14493	1.8
490.04437	0.6
503.16837	0.7
533.17511	0.8
544.68915	0.4
549.19904	2.4
551.18616	1.5
649.27588	0.5
745.31763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
55.56736	0.6
57.03429	1.4
61.02926	5.3
67.05503	4.6
69.03425	2.5
69.07069	1.0
71.01370	0.8
73.02919	3.4
79.05499	4.1
81.03444	0.7
81.07062	3.9
83.08611	0.7
85.02892	4.1
86.09726	1.7
91.03957	2.7
91.05493	2.0
93.07028	4.0
94.07257	0.6
95.04974	1.3
95.08600	4.1
97.02850	3.1
98.22710	1.8
99.04424	0.9
101.02395	2.3
105.07040	1.0
106.14904	0.6
107.08598	2.7
109.10175	1.1
117.07026	1.2
119.08612	2.2
121.06587	0.7
121.10165	2.1
127.03918	0.9
130.84998	0.9
135.11711	2.6
137.64133	0.6
145.10130	2.0
163.11150	3.6
184.07318	3.5
185.04265	0.7
203.05232	0.7
219.09927	1.0
227.12836	1.9
243.08434	1.8
249.10976	10.1
283.69159	0.6
305.13788	1.9
327.45822	0.7
374.93231	0.6
392.73138	0.7
467.18961	8.8
519.29443	4.8
579.31140	0.6
686.37372	0.9
745.41248	100.0
746.41498	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	745.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.05513	1.6
57.03439	1.1
57.07082	0.6
61.02931	4.2
66.09098	0.5
67.05505	4.7
69.03437	2.9
69.07078	1.2
72.75108	0.5
73.02930	3.9
73.16624	0.4
79.05489	3.3
81.03424	1.6
81.07054	4.2
83.05021	0.5
83.08619	1.0
85.02900	4.5
86.09714	1.4
87.04463	0.5
91.03959	2.9
91.05454	2.4
93.07056	4.0
95.05002	1.2
95.08629	3.5
97.02904	4.3
99.04472	0.8
101.02405	1.8
103.58912	0.4
105.07047	1.2
107.08618	2.1
109.02874	0.9
109.10169	1.6
117.07063	1.0
119.08607	1.1
121.10156	1.3
123.11710	0.8
125.00018	0.9
127.03995	0.9
131.08586	0.5
133.10135	0.7
135.11731	1.8
145.10161	0.7
160.34978	0.4
163.11215	1.7
184.07347	3.8
185.04048	0.5
219.09894	0.5
227.12848	1.1
243.08481	2.0
249.10979	11.3
305.13684	0.9
332.51886	0.5
335.25803	0.9
467.18698	4.3
470.85822	0.5
519.29340	7.9
583.35724	0.6
585.26434	0.5
604.46777	0.6
745.41266	100.0
746.41443	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	746.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.2
57.03431	0.9
65.79893	0.1
69.03429	0.4
70.06602	0.3
71.45670	0.1
73.02916	0.3
75.04484	1.8
80.73486	0.1
83.04980	0.3
85.02445	0.2
85.02903	0.8
91.05457	0.7
97.02887	0.6
100.31828	0.2
101.94868	0.2
105.06983	0.3
107.04939	0.5
111.04433	0.3
115.05468	0.4
116.06217	0.3
117.07005	0.5
120.08165	0.2
121.06508	0.2
128.06232	1.1
129.05515	0.2
129.07013	3.0
130.07448	0.2
131.04939	0.3
131.08571	4.1
133.06483	0.7
133.10130	0.2
141.06993	1.4
142.07800	0.5
143.04839	0.2
143.08568	1.0
144.05695	1.7
145.06480	1.7
145.10101	0.2
146.07242	0.4
147.04391	0.3
147.08127	0.2
148.11221	0.2
153.07001	0.6
155.06073	0.2
156.05717	0.3
157.06493	2.2
158.07275	0.4
159.08052	8.7
161.05971	0.6
161.09619	2.3
167.07037	0.7
169.06384	0.3
169.07631	0.8
170.07283	1.7
171.08044	1.8
172.05182	0.5
173.06001	0.7
173.09612	0.4
174.06847	0.5
175.07538	1.0
177.05502	0.2
178.06207	0.3
178.57912	0.2
179.05537	0.4
186.06758	0.3
187.07542	7.3
188.08231	0.5
189.05475	0.5
189.07475	0.3
189.09114	3.5
190.06129	0.3
191.07004	0.2
192.07869	0.3
193.08609	0.3
198.06700	0.7
199.07533	1.1
200.08041	0.2
201.05408	0.3
201.09108	0.5
203.07004	1.0
204.07820	4.2
205.08574	0.7
206.09393	0.5
207.10158	0.3
216.07838	1.2
217.08591	0.5
218.09308	0.5
219.10184	2.1
221.08131	0.5
221.11720	1.6
231.10168	3.0
233.11737	1.7
234.08896	0.4
237.11229	0.5
249.11211	100.0
250.11542	3.3
251.12828	2.3
267.12280	11.7
267.14575	0.2
267.15335	0.2
268.12662	0.4
411.16464	0.2
465.61334	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	746.3962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
53.29159	0.6
54.13220	0.6
54.84551	0.6
55.01857	2.6
55.05507	3.0
57.03426	2.7
57.07073	0.7
57.84416	0.7
61.02923	3.8
67.05508	5.6
69.03434	17.4
69.07056	3.0
69.23209	3.8
71.04984	2.2
73.02909	2.5
79.05496	4.9
79.13015	0.6
81.03419	11.1
81.07059	22.7
83.08631	4.3
85.02905	52.5
87.00829	11.5
87.04461	0.7
89.73406	0.6
91.03938	1.5
91.05471	6.9
93.07040	10.4
95.08606	16.2
97.02264	0.7
97.02894	16.4
97.10179	2.0
99.04462	5.0
105.01868	22.6
105.04482	0.8
105.07028	13.5
107.08591	13.5
109.02878	13.1
109.10162	7.2
111.10087	0.6
115.03881	0.7
117.01854	1.2
117.07000	3.2
119.04938	0.8
119.08577	11.3
121.10143	9.3
123.11723	3.2
125.02590	0.6
127.03914	27.8
129.01851	1.1
129.07050	1.0
131.08559	6.7
133.10132	11.4
135.11687	9.0
137.06006	0.9
137.13190	0.7
143.08574	2.1
145.04965	14.7
145.10136	10.4
147.04402	2.4
147.11667	8.6
148.11154	1.5
149.13272	7.5
151.11177	1.1
157.10081	3.0
159.02913	5.2
159.11702	11.9
161.13264	7.6
163.05983	0.9
163.14793	4.0
167.07082	0.7
171.07726	0.7
171.11716	2.4
173.13239	9.1
175.14821	10.2
177.16383	1.0
180.08617	0.9
185.13272	2.7
187.14825	13.4
189.03926	0.8
189.16342	4.2
199.14784	4.5
200.67586	0.8
201.16385	14.8
202.16615	0.8
203.17940	3.7
205.15942	1.4
209.07985	0.7
213.03917	1.9
213.16360	8.2
215.17999	4.2
217.19511	0.9
219.17412	1.7
227.17972	4.9
231.04996	10.4
231.17401	1.1
239.17950	0.7
241.19576	2.4
249.06079	6.3
254.20375	1.0
255.21217	0.8
257.22659	2.8
281.22522	1.0
283.24203	100.0
284.24536	3.9
285.25748	3.9
301.25259	50.3
302.25513	1.5
380.60986	0.7
411.74097	0.6
417.15567	0.7
463.30652	7.4
531.29462	0.9
549.30426	2.3
600.27808	0.9
647.73926	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02027	1.7
55.05519	4.1
57.03456	2.9
67.05505	8.4
68.26949	2.1
69.03429	8.2
69.07083	3.4
69.25564	9.7
70.53851	1.9
79.05508	5.2
81.03422	5.8
81.07058	34.3
82.07426	2.0
83.08652	2.4
85.02914	26.0
87.00840	8.8
91.05476	10.4
92.83971	2.2
93.07042	12.5
95.08603	16.6
97.02905	8.9
98.23490	3.4
99.04488	2.6
105.01862	14.1
105.07033	16.8
107.08586	10.5
109.02907	4.7
109.10172	9.2
117.07031	5.7
119.08593	12.4
121.10134	11.5
123.11710	4.5
127.03918	13.4
131.08586	7.3
133.10124	27.5
135.11705	11.1
137.13307	3.1
145.04999	8.6
145.10106	14.0
147.11688	14.4
149.13283	14.7
151.11224	3.9
151.14835	2.7
157.10150	3.1
159.11702	23.2
161.13269	12.5
163.14880	4.9
173.13225	10.7
175.01913	2.1
175.14828	7.9
187.14851	8.4
189.16362	4.8
199.14812	4.0
201.16431	3.5
203.18011	2.9
213.16376	4.6
215.17943	2.7
218.21167	7.7
227.17995	3.5
231.04994	6.9
241.19359	2.3
249.06085	6.5
257.22626	2.9
283.24200	100.0
285.25732	22.6
301.25211	20.4
331.87003	2.3
436.60107	2.3
481.40994	2.6
519.54437	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.6
55.01865	3.9
55.05513	3.9
55.70435	0.8
57.03428	4.7
61.02927	5.2
65.47175	0.8
67.05499	9.8
68.99789	2.0
69.03059	1.7
69.03426	27.9
69.07066	2.9
71.04990	3.8
73.02909	3.9
79.05502	7.1
81.03418	17.0
81.07053	24.3
83.05001	1.1
83.08613	2.0
85.02901	82.7
85.16893	0.8
87.00826	37.8
91.03954	0.8
91.05473	10.9
93.07037	13.8
93.07597	1.2
95.04954	1.0
95.08601	17.5
97.02890	31.0
97.06543	1.8
97.10174	2.5
97.78997	0.8
99.04451	9.6
101.02360	1.2
103.03912	0.9
105.01862	80.3
105.07021	19.4
107.08582	10.6
109.02874	28.7
109.03634	1.3
109.10140	12.2
117.01831	1.3
117.07010	4.1
119.08565	12.3
121.09275	1.1
121.10144	16.4
123.11742	4.8
125.02321	0.9
127.03911	72.3
128.04338	0.9
129.01875	3.1
129.06992	1.0
131.08566	8.3
133.10123	45.2
135.11687	8.9
137.09586	2.2
137.13266	2.7
143.08534	3.1
144.09337	1.3
145.04948	22.2
145.10114	15.7
147.02913	2.1
147.11676	20.5
149.13246	18.0
151.07478	1.3
151.11177	12.4
151.14778	1.4
157.10139	3.1
159.02876	7.9
159.10370	1.6
159.11681	28.1
161.13255	10.4
163.11159	1.9
163.14815	5.1
165.09113	9.8
165.12741	1.4
165.16371	2.8
166.09473	3.8
171.11667	3.0
173.13249	16.0
175.14847	6.9
180.08664	0.9
181.05093	0.9
185.13234	1.9
187.14812	12.7
189.03831	1.6
189.16428	2.4
191.14323	1.0
199.14813	3.1
201.16342	6.3
203.18010	2.4
211.06036	1.2
213.03955	5.8
213.16374	10.5
215.17862	1.8
227.17952	4.2
228.18379	0.9
231.04984	33.0
231.07303	1.7
241.19490	3.2
249.06052	22.7
253.06985	2.0
257.22687	2.4
271.08096	2.9
283.24182	100.0
284.24591	4.2
301.25250	38.7
302.25595	1.7
333.43387	0.9
357.08139	1.5
375.09122	1.2
393.10162	2.6
527.34650	0.9
663.12152	1.1
746.32306	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.2
55.01881	3.8
55.05503	2.1
56.48744	0.6
57.03452	0.8
61.02927	0.8
65.03931	4.2
67.05500	4.1
69.03431	2.6
69.07076	1.3
70.03739	0.9
71.04970	1.0
73.02920	0.8
75.04475	2.6
77.03954	1.3
78.04714	1.8
79.05490	6.8
81.03423	3.1
81.07061	8.8
82.04202	1.0
82.07375	1.8
85.02906	12.0
86.03220	1.4
87.00832	2.7
87.62834	0.8
89.03891	0.8
89.06079	0.7
91.05484	11.8
93.03399	8.1
93.07051	5.7
95.04971	6.0
95.08601	6.4
96.08956	1.5
97.02898	3.1
97.06538	3.0
103.05466	19.0
105.01269	0.8
105.01849	4.8
105.03399	1.4
105.04494	1.5
105.07033	12.3
106.04179	15.3
106.07363	1.0
107.04966	9.0
107.08591	3.7
108.08927	1.0
109.02883	1.8
109.06525	1.3
109.10180	4.5
110.03708	1.4
111.04466	1.0
115.05445	6.3
116.00204	0.7
117.07012	5.1
118.04184	5.0
119.04951	2.7
119.08567	4.1
120.05749	1.7
121.06506	15.3
121.10160	2.7
122.10518	1.3
123.04424	4.8
123.11694	2.3
124.05237	2.3
124.12065	0.8
125.05995	8.3
127.03909	4.0
129.06990	1.0
130.04108	1.6
131.04926	18.5
131.08565	3.5
132.05719	1.8
133.02844	1.3
133.06509	8.9
133.10133	8.5
134.03638	2.9
134.10442	2.8
135.04416	1.5
135.08054	1.8
135.11710	3.1
136.12029	1.5
137.05965	4.2
138.03110	1.0
139.07547	2.0
141.06985	1.7
143.04961	1.1
144.05708	1.1
145.02849	1.1
145.04985	1.7
145.06459	4.5
145.10121	3.7
146.03589	1.3
146.10493	1.7
147.04478	1.5
147.08049	2.3
147.11690	4.0
148.05188	11.0
148.12041	1.7
149.05981	28.7
149.13266	4.6
150.13622	1.1
151.03897	3.3
151.07558	2.0
151.11157	1.5
152.04695	2.0
153.05475	6.3
153.09097	7.8
155.05963	0.7
156.05716	1.0
157.06479	1.6
157.10059	0.8
159.02892	0.6
159.04388	1.2
159.08072	2.0
159.11703	5.2
160.05214	2.0
160.12004	2.0
161.05992	10.2
161.13251	3.2
162.01396	1.4
162.06638	1.1
162.13643	1.6
163.03905	1.9
163.07552	21.3
163.14828	1.5
165.05443	2.6
165.09157	0.9
166.02657	1.1
167.07042	57.8
168.07480	1.7
171.06520	2.6
171.11798	1.1
172.05113	1.0
173.06023	8.2
173.13269	3.0
174.06781	0.7
174.13612	1.6
175.07562	3.0
175.14835	2.4
176.04688	2.8
176.15147	1.6
177.05470	18.4
177.09067	1.5
178.06108	1.0
179.01599	1.0
179.07068	1.6
179.08543	1.0
181.04959	71.7
181.08537	17.0
182.05354	1.5
187.07542	3.9
187.14934	0.8
189.05547	0.9
189.16391	1.0
190.00864	1.4
190.06154	0.8
191.07031	98.5
192.07556	2.7
193.04893	1.5
193.08653	3.3
194.05670	0.9
195.06483	4.9
201.05469	1.9
201.16344	1.4
202.06282	1.0
203.07050	2.9
205.08586	3.9
207.06503	1.5
207.10239	1.7
208.01930	1.7
209.08086	100.0
210.08469	2.2
214.16545	0.9
217.08531	2.4
219.06416	1.0
219.08163	1.2
219.09993	5.2
221.08072	0.9
223.04254	18.9
225.07574	1.6
227.17986	0.8
228.18149	0.8
231.06779	0.9
232.05428	1.1
233.08017	5.1
235.07568	1.5
235.09651	5.0
236.08249	0.9
245.08012	2.3
249.05940	0.9
251.09247	1.0
263.09161	25.0
267.10187	3.4
279.09930	1.0
283.24173	16.1
284.24536	18.2
285.25262	6.8
286.26077	3.0
287.26501	1.4
295.09583	1.3
297.11105	1.1
301.25235	3.1
302.25577	5.0
303.25873	1.3
307.09708	1.3
311.12900	0.8
312.08969	2.4
325.10684	2.8
327.12186	1.0
329.13995	0.9
331.12146	0.7
339.12149	1.3
355.11652	1.1
357.13226	5.7
367.11761	2.5
369.13196	1.4
371.15021	1.1
385.12775	12.2
387.14520	1.7
399.14578	3.5
417.15433	18.4
519.78778	0.9
609.22858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42833	0.4
65.03920	0.6
69.60723	0.7
69.61115	0.8
77.03891	0.4
79.05489	1.5
91.05475	4.7
93.07043	1.0
95.04943	0.9
96.56182	0.3
98.22739	0.7
103.05484	4.9
104.06250	1.4
105.07021	1.6
107.04964	5.3
113.35190	0.3
115.05460	0.9
116.06219	0.5
117.03389	0.6
117.07003	1.0
118.04141	1.5
119.04961	3.1
120.05733	0.5
121.06535	2.2
123.04401	2.6
129.07050	0.4
130.04143	0.6
131.04930	13.9
132.05721	18.5
133.02852	2.3
133.06509	5.2
135.04427	9.1
136.05182	0.5
137.02414	0.6
137.05991	3.4
143.04918	1.6
145.02908	0.5
145.06503	1.9
147.04402	4.5
148.05202	2.3
149.02350	0.8
149.05978	3.7
151.07503	2.9
153.05463	0.8
159.04431	0.8
159.87488	0.4
160.05205	10.8
161.05984	15.9
162.06497	0.6
163.03864	0.9
163.07527	3.8
164.04672	2.8
165.05478	7.7
167.07062	6.3
173.05998	3.4
176.04768	1.9
177.05473	9.3
178.07790	0.5
179.03569	0.5
179.07042	17.4
179.08438	0.7
180.07814	26.0
181.04984	1.3
181.06479	0.5
181.08516	2.8
191.07040	37.9
192.07814	73.1
193.04941	0.9
193.06720	0.4
193.08275	2.6
195.06487	0.8
195.08084	1.0
205.08592	2.2
207.06532	1.2
207.08125	1.0
208.07277	0.4
209.08035	0.9
209.09779	0.5
210.06822	0.6
211.06010	1.6
211.11189	0.4
219.08203	0.4
221.09529	0.4
223.07516	1.1
224.08257	0.6
225.09032	0.9
227.10599	0.4
235.07515	1.3
237.09189	2.0
239.10710	0.7
249.09171	1.3
251.07053	0.9
252.07820	1.0
253.08559	1.2
255.10133	0.5
263.07068	1.1
264.07962	0.4
265.08606	1.2
267.10162	0.9
269.08313	0.5
270.08804	0.4
271.13303	0.8
277.08643	0.7
282.08829	0.6
283.09521	2.8
284.10413	0.5
295.09595	4.7
297.11063	0.8
299.12592	0.6
309.11234	0.7
312.10019	0.6
315.12271	12.6
316.12515	1.1
327.12268	18.4
327.16171	0.9
328.12720	0.6
345.13333	63.5
346.13626	2.4
362.15988	100.0
363.16278	4.3
365.48706	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.3749
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	8.0
55.05518	15.1
57.03445	3.0
57.07088	4.7
61.02919	3.9
67.05510	13.2
69.03435	22.2
69.05671	2.5
69.07063	29.9
69.11897	20.9
70.92174	3.0
73.02911	4.1
79.05496	35.9
81.03434	12.5
81.07056	43.1
82.07364	2.9
83.04974	3.8
83.08178	3.1
83.08629	13.0
85.02899	57.5
87.00838	22.6
91.05495	11.5
93.07055	15.0
95.04991	5.3
95.08613	35.5
97.02888	31.7
97.06526	13.7
97.10215	7.3
99.04468	6.7
100.11281	9.9
105.01871	78.7
105.07042	36.5
107.04978	13.0
107.08601	16.2
109.02887	27.4
109.06557	3.9
109.10178	17.9
111.04399	3.4
111.11707	4.3
117.07027	3.1
119.08583	20.1
121.10173	9.0
123.11703	5.5
124.85477	2.7
125.06004	72.6
125.13286	4.4
127.03916	49.1
131.08566	10.0
133.06473	4.2
133.10112	20.7
135.11687	4.8
137.05986	7.5
137.13312	3.1
143.08566	3.5
145.04965	24.1
145.10155	11.4
147.08070	5.9
147.11667	17.5
149.13210	4.0
151.07578	4.4
157.10138	6.1
159.02893	8.9
159.11702	8.1
161.09625	51.4
161.13257	8.5
163.14888	3.5
168.17520	4.2
173.13220	6.7
175.11172	25.0
175.14813	13.6
177.09297	3.9
177.16483	3.8
179.10692	15.6
179.17999	2.9
184.07341	6.0
185.13332	4.6
187.14784	4.4
189.12807	4.6
191.10666	4.5
193.12306	9.4
201.16405	7.2
203.14380	19.5
210.14876	4.9
211.14897	2.8
213.03934	3.5
215.14445	3.7
219.13817	5.0
221.15372	16.7
229.15869	3.5
231.04996	36.3
243.20952	3.2
247.16882	4.7
249.06064	33.5
257.22635	15.3
267.21182	7.1
285.22122	100.0
286.22653	3.6
303.23184	18.3
447.27042	3.9
451.19684	13.6
533.27582	48.2
534.27869	4.8
551.28638	4.1
747.57153	8.2
748.33405	10.2
748.57172	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	748.3753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01875	5.8
55.05509	7.8
55.63215	2.1
57.03429	5.0
57.07065	4.5
61.02934	5.2
66.87283	2.2
67.05499	11.3
69.03424	20.9
69.07066	25.2
69.67786	2.1
71.04984	4.9
73.02909	5.2
79.05495	27.2
81.03425	20.8
81.07063	30.8
83.08619	6.1
85.02401	4.6
85.02905	77.4
87.00827	39.9
91.05488	17.9
93.07036	12.5
95.04958	5.9
95.08617	20.4
97.02887	34.1
97.06518	7.2
97.10163	4.0
99.04456	9.3
105.01867	100.0
105.04492	2.8
105.07032	25.5
107.04948	8.8
107.08586	14.6
107.83605	2.4
109.02882	30.4
109.06510	4.8
109.10165	10.9
117.07042	2.7
119.08568	15.0
121.10125	6.8
123.11735	4.1
124.30854	2.2
124.86033	2.2
125.05991	54.9
125.13287	2.9
127.03920	69.5
131.08583	9.0
133.06447	4.8
133.10126	22.7
135.11723	2.7
137.05927	4.7
137.13257	2.9
139.24649	2.0
143.08560	2.3
145.04948	29.4
145.10152	10.6
147.11700	11.9
149.13228	3.3
151.06201	2.3
151.07436	4.4
159.02902	5.1
159.11650	7.2
161.09613	39.3
161.13243	7.6
173.09625	2.4
173.13240	4.6
175.11243	21.4
175.14793	6.5
177.16357	5.2
179.10699	14.6
185.13223	2.7
187.14827	5.5
189.12698	3.5
191.10672	2.7
193.12231	8.8
201.12625	2.9
201.16483	4.5
203.14276	15.7
213.03981	7.6
219.13768	3.7
221.15367	13.3
231.04999	50.6
233.15430	3.8
246.66760	2.1
249.06061	62.4
257.22653	11.9
267.21008	8.0
267.98904	2.2
271.08087	2.6
285.22113	47.3
303.23126	12.3
320.12973	2.3
357.08188	2.3
393.10117	6.3
447.27136	2.9
451.19659	7.0
455.33508	2.5
505.28015	3.4
515.26154	3.0
533.27307	30.1
535.53790	2.2
551.29089	3.9
628.28986	2.2
636.17487	2.5
748.38641	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	748.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.7
53.30334	0.8
55.01868	1.6
55.05515	4.3
56.78027	0.9
57.03444	2.6
59.99704	0.8
61.02924	3.6
67.05507	11.3
68.01900	0.9
68.99779	0.9
69.03431	15.0
69.07062	6.5
71.04992	2.1
73.02924	2.4
79.05499	9.2
81.03422	9.3
81.07053	32.2
83.08617	6.0
85.02903	40.4
87.00830	17.1
87.01324	1.5
91.05473	6.1
93.07038	12.6
95.04968	1.3
95.08604	33.6
97.02271	1.1
97.02892	17.1
97.10147	4.4
97.95234	1.0
98.22691	2.4
99.04455	4.4
105.01862	41.9
105.07028	11.0
107.04913	1.1
107.08596	18.2
109.02868	12.6
109.10149	21.9
115.03936	1.3
119.08593	10.8
121.10145	15.2
123.11710	9.4
125.05978	1.2
127.03908	33.6
129.01849	1.8
131.08574	3.3
133.06438	1.0
133.10112	10.7
135.11690	32.2
136.11964	0.8
137.13309	2.4
145.04967	12.1
145.10133	7.6
147.11688	14.9
148.78444	0.9
149.13251	18.4
151.14822	3.8
159.02872	3.4
159.11694	3.5
161.09679	1.3
161.13263	13.5
163.06078	1.0
163.14847	7.5
165.16388	4.1
172.13942	0.9
173.13283	3.0
175.14801	15.3
177.16360	5.2
187.14841	2.7
189.16417	9.1
191.17909	1.4
201.16460	2.5
203.17944	9.2
213.03983	3.1
215.17952	2.7
217.19479	1.3
224.25456	0.9
229.19511	3.3
231.05008	18.5
249.06061	22.2
249.95764	1.0
257.22647	2.1
260.16412	1.1
275.23795	2.7
283.24133	1.5
285.25754	100.0
286.26123	5.8
287.27295	2.1
301.40689	1.0
303.23187	13.3
303.26779	3.2
369.72583	0.9
465.35538	1.0
533.27765	1.6
551.28412	12.4
552.28864	1.6
610.54865	1.0
748.34082	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.7
55.01861	1.9
55.05514	4.4
57.03425	2.4
57.07088	2.1
61.02907	3.2
67.05506	13.2
69.03432	13.3
69.07070	5.3
69.69688	4.7
71.04976	1.5
73.02917	1.8
74.27531	1.4
79.05485	12.2
81.03423	8.4
81.07060	40.7
83.08632	6.0
85.02908	54.3
87.00835	16.5
91.05495	5.9
93.07041	15.8
95.04951	1.9
95.08609	37.2
95.37444	1.3
97.02895	16.3
97.10168	4.8
98.22752	2.9
99.04465	3.3
101.57545	1.2
103.05457	2.0
105.01873	42.1
105.07033	7.3
107.08588	23.1
109.02897	8.8
109.10162	29.7
112.79971	1.6
117.07071	1.6
119.08600	5.2
121.06573	1.4
121.10148	19.4
123.11703	12.6
124.12122	1.6
127.03920	29.7
131.04904	2.4
133.10089	6.6
135.11694	38.8
137.05991	2.5
137.13257	2.2
145.04962	19.1
145.10213	1.5
147.04369	1.7
147.11678	9.5
149.05986	3.0
149.13255	16.8
151.14819	3.8
153.12781	4.0
159.02864	2.7
161.13263	10.1
163.06044	2.1
163.07497	2.3
163.14809	10.0
165.16397	18.7
167.07045	5.3
173.05916	1.4
175.14819	11.0
177.05481	3.3
177.16379	5.6
181.05009	5.6
181.08551	1.4
189.16360	12.0
191.07036	7.4
191.17940	3.9
201.16460	2.5
203.18001	6.1
207.06511	2.1
209.08054	10.0
215.17940	2.5
217.19508	3.3
223.04205	2.1
229.19417	1.8
231.04987	15.9
233.08015	1.8
249.06071	18.9
263.09128	2.1
285.25757	100.0
286.26205	4.8
287.27325	6.1
303.26746	5.4
495.73703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00256	0.2
53.03931	0.6
53.06122	0.2
55.01864	0.3
57.84290	0.2
61.37804	0.2
69.03417	0.5
69.80222	0.2
69.80537	0.5
71.02642	0.2
71.69903	0.2
77.03923	0.6
79.05492	1.6
81.03403	0.4
82.58828	0.2
85.02882	0.7
95.04967	2.6
97.02921	0.4
98.22792	0.3
105.04515	1.3
107.04953	100.0
108.05267	2.1
108.20585	0.2
129.03113	2.4
167.06775	1.3
185.04205	4.3
195.06255	4.1
203.05150	0.2
203.10298	0.2
213.07333	31.4
214.07703	0.7
309.09567	0.7
329.12033	0.3
357.11542	0.4
375.12604	1.8
392.11099	0.2
419.16757	1.2
435.16364	1.1
453.13663	0.3
463.15567	1.7
481.16797	33.5
482.16986	1.5
643.11218	0.4
643.22070	5.3
749.26147	36.2
750.26520	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	749.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.05513	2.5
57.03441	2.5
57.66457	0.6
59.57574	0.7
61.02930	7.4
67.05512	7.7
69.03435	4.4
69.07076	2.4
71.04995	1.3
71.57500	0.6
73.02922	6.3
77.03934	0.7
79.05486	4.5
81.03433	2.2
81.07060	8.6
83.08647	1.2
85.02903	8.0
91.03965	4.1
91.05463	3.1
93.07052	4.5
95.04975	1.6
95.08597	4.3
97.02891	6.8
99.04488	1.4
101.02388	2.5
105.07064	2.3
107.08621	2.1
109.02923	1.5
109.10166	3.1
119.08579	0.9
121.10152	2.2
123.11767	1.8
127.03970	1.8
131.08609	1.3
133.10152	2.2
135.11693	1.2
151.11256	0.7
184.10133	0.6
185.04253	0.9
203.05360	0.9
211.90446	0.6
212.14481	0.6
225.11026	0.9
243.08508	2.4
303.27551	0.6
310.05484	0.8
332.35751	0.7
335.25867	1.2
427.19339	3.1
443.18820	1.3
471.18448	1.1
519.29431	9.7
519.36615	1.1
520.29877	0.9
627.46820	0.8
705.41821	41.2
706.42242	3.0
721.41321	9.9
722.42413	0.8
731.39880	1.4
749.40698	100.0
750.41217	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	749.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.05519	0.9
57.03437	2.5
61.02925	5.8
65.69892	0.5
67.05508	8.0
69.03439	4.5
69.07077	1.9
69.32042	2.8
71.01361	0.6
71.05000	2.5
73.02915	4.5
75.83124	0.5
77.34477	0.5
79.05502	4.3
81.03426	2.3
81.07060	5.2
83.08621	0.8
84.38133	0.5
85.02914	6.7
86.09718	1.6
87.04468	1.3
87.41795	0.5
91.03963	3.3
91.05462	3.2
93.07032	4.6
95.04975	1.8
95.08600	4.2
97.02893	5.1
97.06536	0.7
101.02396	2.4
103.03960	0.6
105.07078	1.0
107.08618	2.5
109.02922	0.9
109.10161	3.8
111.63019	0.5
119.08581	1.3
119.98206	0.5
121.10189	2.0
123.11740	0.8
127.03949	1.5
131.08568	0.6
133.10196	1.3
135.11703	2.1
137.09642	0.9
145.10208	0.9
161.13429	0.8
173.13373	0.8
184.07381	4.0
203.05339	0.6
243.08516	2.2
253.14217	1.6
271.18735	0.6
291.12241	0.6
335.25897	1.0
413.36780	0.6
471.22186	4.5
511.65332	0.6
519.29199	7.3
520.29852	0.5
643.93140	0.6
749.44458	100.0
750.44873	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	751.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.3
58.35476	0.2
63.02359	0.5
65.03573	0.3
65.08209	0.3
69.07088	1.4
70.06571	0.6
72.38230	0.3
73.46815	0.3
79.05478	1.0
84.08145	0.5
85.19874	0.3
86.06054	0.3
86.09709	17.9
89.03919	7.0
93.03418	0.3
95.04970	0.4
97.46415	0.3
103.11692	0.3
103.12345	4.1
105.03402	0.3
107.04976	2.0
112.07600	0.3
117.03391	7.3
119.04912	0.3
123.04405	0.3
129.10275	0.6
131.04904	0.2
135.04413	13.4
137.02330	0.3
137.05974	1.8
145.02855	9.6
147.04367	0.6
163.03906	51.5
163.61330	0.3
164.04221	0.9
174.06755	0.7
187.03879	0.8
191.07051	0.4
192.05721	0.4
193.06459	0.3
201.05389	11.9
205.06500	0.7
220.05186	3.9
221.05972	10.7
222.06473	0.6
223.07538	0.4
233.05988	0.7
235.07545	12.9
236.07768	0.5
237.05423	0.9
237.09166	0.9
238.06151	1.7
242.04491	0.6
244.06020	0.3
248.04668	3.3
249.05467	6.2
249.07907	0.5
250.06227	1.7
251.06940	0.5
253.08664	0.8
256.06061	5.5
263.07043	20.7
264.07474	0.8
265.08563	1.9
265.15427	2.7
266.05743	9.6
267.06213	0.5
268.07172	0.5
270.36838	0.3
277.05157	2.1
278.05893	0.6
280.07327	0.4
281.08084	3.1
282.08859	0.3
283.09592	2.6
291.06461	3.7
291.09427	0.4
293.08112	0.3
294.05191	2.1
295.04419	4.4
295.09433	0.5
299.09125	3.8
305.04404	0.4
309.07562	100.0
310.07843	2.7
312.12518	0.3
322.04749	0.4
327.08664	0.9
329.14948	0.7
337.07074	3.4
355.08151	0.8
361.36166	0.4
402.64215	0.3
411.19025	1.7
422.16074	1.5
439.18677	28.3
440.18988	1.1
457.19794	0.7
571.18829	0.5
589.20294	41.4
590.20483	1.8
601.21741	1.3
694.32257	0.4
745.70270	0.4
751.23413	13.5
752.23163	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55765	0.4
63.02363	1.1
69.07082	2.2
70.06562	0.9
72.08167	0.4
79.05481	1.5
81.07088	0.4
81.31107	0.4
84.08134	1.4
86.09711	32.7
89.03381	0.6
89.03922	10.0
95.04967	0.7
98.22697	1.2
103.05464	0.5
103.12347	6.7
103.16646	0.4
104.17049	0.4
107.04977	3.3
108.00888	0.4
109.06508	1.3
115.05444	0.5
117.03391	11.5
122.03654	0.5
123.04440	2.1
135.04422	24.5
137.02316	1.5
137.05986	16.0
139.18724	0.5
145.02852	18.4
146.03238	0.5
147.04407	1.3
149.05962	0.4
151.03922	0.8
159.04422	0.7
163.03908	100.0
164.04314	2.1
165.07047	0.5
175.03920	0.8
177.05508	0.7
183.11299	0.4
186.05476	0.6
187.03885	6.7
189.05501	0.5
193.06482	0.6
201.05461	7.4
203.03394	1.0
205.06522	1.5
210.06789	0.8
212.03423	0.6
217.06569	0.6
220.05212	2.5
221.06000	9.2
222.06702	0.5
223.07504	2.4
230.04485	2.6
231.02888	2.5
233.05981	1.6
235.07553	5.5
237.05412	0.4
238.06293	1.5
242.04494	5.5
244.06044	4.4
245.04439	0.8
248.04738	2.9
249.05464	11.1
249.07912	0.7
250.06229	1.3
251.07062	2.5
253.08655	1.6
256.06085	3.3
261.05490	0.5
263.07022	11.4
265.05011	0.5
265.08588	1.5
265.15527	4.5
266.05774	6.7
268.07355	0.6
277.05096	11.7
278.05713	2.5
279.06561	1.2
281.08115	3.9
283.09641	2.2
291.06512	5.5
293.08237	1.4
294.05237	11.0
295.04489	31.0
298.10779	0.7
299.09100	0.7
305.04480	3.2
309.07574	49.0
310.07941	1.5
311.09119	1.5
315.13519	0.8
319.06055	1.3
322.04749	1.7
329.14798	0.8
337.07050	26.7
338.07385	1.0
355.08063	3.1
357.64069	0.5
411.19025	0.7
422.15884	2.9
439.18665	41.3
440.19046	1.9
457.19733	0.8
487.08759	1.0
571.19238	0.8
589.20288	55.6
590.20630	3.5
664.13464	0.5
751.23431	15.2
752.23779	1.1
782.51282	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02804	1.1
61.03071	1.1
65.95720	0.6
67.05341	1.2
67.05707	1.2
69.03274	0.8
69.23246	2.5
73.02754	0.8
79.05340	1.2
79.05741	0.8
81.06871	1.5
81.07314	0.7
85.02746	1.1
85.03189	0.8
87.04295	1.2
91.05276	0.7
93.06843	1.3
93.07401	1.1
95.08430	1.3
97.02721	0.8
98.22646	0.9
112.31771	0.6
123.94035	0.6
148.15878	0.7
184.07217	0.8
200.12541	0.6
204.59703	0.7
250.79263	0.8
255.95372	0.6
388.17368	0.8
400.16864	1.5
401.17355	2.0
413.17276	1.9
414.18100	1.6
415.19211	7.0
416.19543	0.9
427.19125	2.3
428.19781	2.6
429.20822	9.6
430.21716	4.9
433.24078	1.0
442.21616	3.3
443.22592	3.9
444.23367	6.0
455.19043	0.7
456.19354	1.6
457.24564	7.2
458.25089	1.4
459.21198	4.2
460.22046	1.0
470.20889	1.1
471.17847	0.8
472.22391	3.7
473.22934	1.1
475.25092	1.6
485.23663	18.2
486.19766	3.9
487.24783	2.4
489.22488	1.5
497.23068	1.3
499.21136	1.4
500.22125	2.7
502.23645	0.8
503.24283	3.4
513.22980	2.6
515.17407	1.1
515.24463	18.5
516.25018	1.5
520.29712	1.2
521.30841	0.9
531.23914	35.2
532.23938	3.5
541.22528	1.8
559.23401	11.9
560.23254	1.1
591.26019	100.0
592.26196	8.9
593.43359	0.8
750.44666	6.9
751.45233	27.5
752.46796	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34244	1.7
55.05513	7.4
57.03436	6.5
59.10760	1.9
59.34535	2.0
62.08185	1.7
65.03939	2.3
66.59380	2.0
67.05161	2.6
67.05509	41.6
69.07061	10.0
71.04999	4.5
79.05507	27.9
80.62647	1.8
81.07061	34.1
83.08624	6.9
84.76713	1.8
91.05482	20.8
93.07048	30.3
95.04987	21.4
95.08611	30.7
97.06522	6.7
98.22723	4.8
99.08161	2.0
100.86958	1.8
105.04513	2.8
105.07063	16.9
107.04953	12.3
107.08570	13.3
109.06522	3.0
109.10162	8.6
111.04424	3.5
113.54204	2.0
117.07013	8.8
119.08606	11.1
121.06493	2.2
121.10172	6.2
129.07010	5.7
131.08562	4.7
133.06473	4.9
133.10120	3.7
135.11641	4.5
138.70752	1.8
143.08562	2.9
145.10114	4.4
159.11693	3.6
161.13290	5.5
163.11197	4.6
173.51634	1.8
179.14314	13.8
184.07344	3.1
203.14310	3.3
221.15399	26.6
295.19092	15.1
335.25836	56.5
336.26096	3.8
555.40503	100.0
556.40674	6.7
560.59033	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.6
56.96567	0.5
57.07075	66.0
58.07409	0.7
59.04993	1.3
60.01089	0.3
64.97827	0.3
69.03436	1.2
69.07065	0.9
69.65798	1.2
71.04983	0.6
71.08626	1.3
73.02895	1.5
73.06554	3.5
77.03913	0.3
79.05499	0.6
81.03453	0.4
83.04977	0.4
87.04466	27.5
89.06029	100.0
90.04437	0.3
90.06375	0.7
91.05477	7.4
91.07574	0.6
93.07044	5.6
95.04961	3.1
95.08637	0.7
97.10130	0.4
98.22757	0.6
98.97595	1.5
103.05435	1.6
104.09272	0.3
105.04508	1.1
105.07022	2.8
107.04980	1.1
107.07084	1.5
107.08588	2.7
109.06509	1.0
113.05968	0.5
113.13306	1.0
115.05508	0.3
116.98660	0.5
117.07012	1.8
117.09144	2.0
118.07808	5.1
119.04933	3.8
119.08573	5.9
121.06503	21.4
121.10152	1.4
123.08049	0.7
123.11768	0.4
129.07013	0.9
130.08633	2.1
131.00180	0.8
131.07036	9.7
131.08585	0.7
133.08601	64.6
134.08946	0.6
135.08028	4.2
135.10139	0.3
135.11703	1.9
145.06528	0.5
147.08043	12.4
148.08331	0.3
149.01237	0.6
149.09607	5.4
149.13286	0.8
150.06752	3.7
157.08714	0.3
158.99675	0.9
159.10513	0.3
159.11673	1.8
161.09583	0.7
161.11743	0.6
163.07576	0.9
163.11113	2.0
165.09113	7.3
167.10686	1.7
170.99672	1.1
173.01169	0.4
173.09634	1.1
175.09686	8.8
175.11183	0.8
177.00752	0.5
177.11232	27.8
177.12706	2.2
178.11581	0.6
179.10684	0.3
185.96246	0.3
189.00719	0.8
189.09183	0.3
191.10645	3.9
193.10690	0.6
193.12285	2.0
201.11185	0.3
209.11728	3.6
211.13252	2.8
211.37814	0.3
217.12175	0.6
217.17009	0.8
219.01906	0.6
219.12308	2.9
221.13826	6.4
223.15382	0.4
228.03860	0.3
231.17392	0.4
233.18993	21.5
234.19341	0.5
235.13274	3.2
239.14760	0.7
247.20494	0.6
253.14397	1.1
255.15907	3.0
259.20572	3.2
261.02719	0.4
265.16473	2.2
267.18130	0.5
275.04321	0.4
275.20361	0.6
275.23788	1.2
277.21613	28.5
278.21979	0.8
279.03909	0.7
279.15942	1.4
283.17447	1.8
293.05438	0.8
297.17041	0.8
299.18558	1.4
303.23196	3.0
305.24649	0.4
309.18991	2.0
315.17868	0.4
319.22720	1.0
321.04776	1.6
321.24243	9.4
322.24808	0.4
323.18735	0.5
327.20114	1.6
343.21204	0.7
353.21698	1.7
365.26984	0.6
371.22620	0.5
387.23608	0.4
397.24545	0.6
409.29709	0.3
437.09796	0.6
491.28702	0.3
559.38275	0.5
623.36145	2.2
677.37347	0.4
678.37195	0.5
691.46246	0.9
693.33813	1.6
735.48834	10.0
736.49188	0.8
752.51630	15.1
753.52197	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32008	0.6
61.92945	0.4
62.63221	0.4
62.92949	0.4
63.02357	0.9
67.31675	0.4
69.38976	1.7
70.06593	18.1
72.08147	0.9
73.02913	1.8
76.43204	0.4
79.05473	0.8
85.02917	0.8
87.09228	0.6
88.07631	19.5
89.03922	5.7
93.17399	0.4
97.02878	0.7
105.10279	6.3
106.88489	0.5
107.04954	3.0
109.02895	0.5
117.03371	4.5
127.03903	0.6
132.04431	0.7
133.84705	0.5
135.04414	13.7
137.12979	0.5
145.02843	10.7
147.04355	0.8
150.05551	3.4
163.03908	44.3
164.04303	0.7
174.06760	1.6
177.05469	4.9
201.05498	1.9
205.06528	0.5
210.06808	0.8
220.05197	4.3
220.09778	0.6
221.05956	10.3
222.06587	0.8
225.09196	0.6
232.09885	0.8
233.06013	0.7
234.06802	0.7
235.07532	11.7
236.07788	0.5
237.05365	0.7
237.09084	1.1
238.06197	1.0
248.04794	3.2
248.06992	0.9
249.05476	6.0
249.12357	2.0
250.06223	2.0
250.08504	0.7
251.07095	0.6
263.07034	20.1
264.07681	0.9
265.08527	2.7
266.05731	9.2
266.08212	2.0
267.08878	5.3
267.13388	0.7
268.07294	1.4
268.09830	1.0
275.05753	0.6
279.17038	1.5
281.08096	3.5
282.13528	0.6
283.09656	7.6
291.06390	1.9
292.10162	0.5
294.05188	1.1
295.04599	2.0
299.09045	3.2
303.04984	0.8
309.07565	100.0
310.07907	3.6
311.09015	0.8
326.09964	0.5
327.08487	2.3
337.06934	0.5
366.13318	0.9
394.12967	1.1
395.16269	0.8
405.14194	0.6
413.17145	0.7
423.15475	2.3
441.10495	1.0
441.16599	18.1
442.11325	2.7
442.16623	0.6
484.12323	0.7
556.14569	0.9
573.17316	5.6
574.16119	0.8
591.18304	31.3
592.18201	2.0
603.19214	1.4
735.20074	3.0
753.21130	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63868	0.8
57.03434	1.0
57.58133	0.7
69.19739	4.8
70.06593	18.2
72.08153	1.8
79.05496	1.1
85.02904	1.5
86.06088	1.0
88.07634	15.7
89.03907	6.6
105.10284	5.5
107.04958	2.6
117.03372	6.3
119.05000	0.8
132.04387	0.9
135.04402	14.5
137.02351	0.9
145.02846	10.9
147.04361	1.7
150.05501	4.7
163.03911	47.4
164.04265	1.0
165.16457	0.8
174.06754	1.8
177.05444	7.6
201.05487	2.7
205.06447	1.3
220.05219	3.7
221.05957	10.3
235.07507	10.7
237.09102	1.7
238.06274	1.3
248.04691	2.1
249.05490	6.5
249.12494	1.1
250.06279	1.9
263.07016	21.9
265.08673	3.3
266.05743	8.9
266.08234	3.9
267.08902	6.1
267.13541	1.3
279.17053	2.5
281.08102	2.5
283.09650	6.5
285.03928	1.6
289.03452	1.2
291.06470	2.3
294.05206	2.0
295.04105	1.5
299.09204	2.9
303.05014	2.7
309.07559	100.0
310.07825	4.0
311.08603	1.2
326.10217	1.0
327.08707	2.5
337.07080	2.5
366.13522	1.1
394.12805	1.4
405.14493	1.0
423.15656	1.5
441.16556	16.7
442.11484	4.0
442.16547	1.1
495.50333	1.0
556.14984	1.1
573.17249	4.9
585.18579	0.9
591.18378	30.9
592.18781	1.4
616.92041	0.8
735.20026	2.4
753.21082	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	756.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.2
53.03952	2.0
54.11175	1.3
55.01883	2.6
55.05516	18.4
57.03444	10.0
57.07075	1.8
59.05001	2.4
60.08161	3.2
61.02926	3.4
67.05158	2.5
67.05507	43.7
67.05867	2.3
69.03428	1.9
69.07075	9.7
69.76210	4.0
71.01371	2.0
71.04986	2.8
71.07368	1.3
79.05501	24.9
81.03412	3.4
81.07061	43.6
83.04976	3.3
83.08631	13.2
85.02903	3.3
85.06548	1.6
86.09718	14.5
91.05479	25.1
93.07051	31.5
95.04970	6.8
95.08610	29.0
97.02340	1.3
97.02849	6.0
97.06537	3.7
97.10135	1.7
98.98466	1.5
99.00825	14.3
105.07028	19.1
107.04974	7.0
107.08599	15.1
109.02894	8.0
109.06555	3.5
109.10180	12.9
111.08068	3.9
113.06008	2.0
115.03922	2.8
115.47577	1.3
117.07059	6.5
119.08584	12.0
121.06506	5.0
121.10161	11.1
123.11705	4.4
124.99996	10.6
127.03919	1.8
128.06271	2.5
131.08569	7.3
133.06467	1.3
133.10138	33.1
135.11707	10.5
137.13231	1.8
143.08586	6.1
145.06497	1.4
145.10110	5.9
147.08049	1.3
147.11702	3.6
149.13257	4.7
151.11162	10.5
151.14926	1.2
159.11693	3.6
161.09618	15.8
161.13271	3.4
163.14876	2.2
171.08058	3.4
173.13239	3.3
177.16426	1.4
179.10652	10.6
184.07338	39.0
189.09155	8.7
197.11809	2.7
199.31972	1.3
207.10197	4.0
225.11197	15.4
232.63579	1.4
243.12396	4.1
243.21181	3.6
261.22122	16.8
299.14893	100.0
300.15131	3.3
315.23303	2.7
317.24738	3.5
335.25803	74.8
336.26120	3.5
371.11340	1.3
382.40564	1.5
467.31381	5.3
485.32681	4.0
513.35529	3.1
515.37433	2.0
531.36450	1.6
541.35193	6.2
559.36267	33.1
560.36621	1.4
577.37646	2.0
598.12689	1.3
616.22406	1.3
619.25439	1.4
697.34717	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.2
53.03957	2.2
55.01872	3.1
55.05513	18.5
57.03435	14.3
59.05015	1.4
60.08142	2.6
61.02929	4.3
65.03942	1.5
67.05505	40.3
67.05866	2.1
69.03434	2.6
69.07064	9.5
71.04994	1.9
71.07360	2.3
73.02907	1.4
79.05497	29.2
79.56937	1.1
81.03414	3.3
81.07056	48.7
83.04976	2.1
83.08610	11.8
85.02894	3.4
85.06558	1.7
86.09713	16.9
91.03968	2.1
91.05480	32.7
93.07045	38.7
95.04967	6.4
95.08605	31.0
97.02917	5.6
97.06548	4.7
97.10154	2.6
98.98519	2.0
99.00819	15.4
104.10735	2.0
105.04504	1.5
105.07032	23.5
107.04971	4.3
107.08590	21.5
109.02890	10.7
109.06528	3.3
109.10164	16.8
111.04463	1.5
111.08101	2.3
115.03929	2.6
117.07024	8.2
119.04967	2.5
119.08575	12.7
121.06527	5.9
121.10137	16.6
123.04433	2.0
123.08096	2.6
123.11716	6.0
125.00002	11.5
125.09609	1.0
127.03947	2.8
128.06311	1.1
131.04774	1.1
131.08577	8.5
133.10129	31.6
135.08008	1.8
135.11688	10.8
137.05920	1.8
137.09584	2.2
139.07581	1.9
143.08571	5.2
145.06430	1.2
145.10126	6.2
147.08034	1.2
147.11679	4.6
149.13248	5.4
151.11179	8.4
159.11717	4.6
161.09602	16.9
161.13248	2.8
163.11140	1.9
163.14790	2.7
171.08022	3.1
173.13298	3.2
175.14816	1.4
179.10657	9.0
184.07346	53.3
185.07651	1.2
189.09135	7.3
189.10695	1.1
197.11743	1.7
200.67636	1.2
207.10220	3.3
225.11229	12.2
243.12419	2.8
243.21121	6.1
261.22137	18.8
261.24689	2.1
277.21716	2.0
281.13870	4.3
299.14890	88.0
300.15121	2.3
313.08884	1.2
315.23108	2.2
317.24759	3.6
324.88428	1.2
335.25793	100.0
336.26111	4.1
449.29980	2.0
467.31143	2.8
484.06943	1.2
513.35840	2.1
515.37195	1.4
531.36279	1.7
541.35175	6.0
559.36285	51.3
560.36481	3.4
577.37469	2.1
626.78851	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05015	0.6
58.06623	0.5
60.08164	6.1
67.05506	0.4
69.52161	1.6
71.07378	4.3
79.05489	0.4
86.09710	29.4
93.07008	0.4
98.23429	0.3
98.98462	3.3
104.10730	1.7
125.00006	22.4
136.63162	0.3
140.85542	0.3
184.07343	100.0
185.07669	0.9
294.63293	0.4
369.30200	0.3
410.26968	0.4
688.62335	0.4
756.55212	4.0
757.43512	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.7
57.07068	0.2
58.06606	0.4
60.07867	0.4
60.08165	6.7
68.85081	0.2
69.34147	1.0
71.07377	3.8
73.24425	0.2
75.28740	0.2
86.09708	30.7
87.10050	0.3
98.22652	0.3
98.98466	3.7
104.10754	1.8
125.00004	21.9
184.07341	100.0
185.07706	1.0
202.68520	0.2
205.58549	0.2
229.39809	0.2
233.82394	0.2
246.79321	0.2
260.04355	0.2
324.81693	0.2
496.32858	0.2
756.42633	0.3
756.55243	4.2
757.56256	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.8
58.06632	0.7
60.08165	7.7
62.17307	0.2
64.93350	0.2
69.40013	0.2
70.16368	0.2
70.74182	0.3
71.07380	4.1
72.81360	0.2
73.54169	0.2
80.96311	0.2
84.09825	0.2
86.09710	34.0
87.10063	0.3
98.98467	4.0
104.10746	2.1
106.21014	0.2
114.79603	0.2
125.00006	23.8
179.09129	0.2
184.07346	100.0
185.07724	1.1
232.12714	0.2
275.62869	0.2
319.91104	0.2
374.53085	0.2
756.55481	2.6
757.55670	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06638	1.1
60.08158	5.5
65.08066	0.7
70.71558	1.0
70.95377	0.7
71.07370	4.3
86.09707	26.4
86.10224	1.8
98.98477	2.9
104.10723	2.2
124.99149	1.5
125.00011	21.2
128.57539	0.7
139.60722	0.9
172.98338	0.9
184.07343	100.0
305.23849	1.0
396.12790	0.9
600.72711	0.9
756.54834	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	756.5541
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05044	0.7
58.06609	0.6
60.08172	5.7
71.07392	2.6
81.07024	0.6
86.09712	27.8
95.48463	0.6
98.22683	1.0
98.98434	2.8
104.10741	1.5
105.66516	0.5
116.03193	0.6
125.00014	17.6
184.07353	100.0
185.07581	0.9
330.59518	0.7
390.44452	0.6
469.12982	0.6
516.51343	0.6
522.70032	0.7
522.80737	0.6
756.54675	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	757.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60812	2.4
82.47476	0.6
86.09724	1.0
120.67081	0.8
123.54364	0.6
142.66484	0.6
184.07349	4.4
328.71182	0.6
400.14935	0.7
416.14816	0.9
430.16525	1.0
440.19009	0.8
441.14825	0.7
441.19995	1.0
444.18118	1.5
445.18658	3.1
455.17987	0.7
456.13657	0.9
457.14655	2.3
457.19931	1.4
467.17981	0.7
469.14505	1.2
469.19711	1.0
470.15652	1.4
471.16751	2.9
472.17880	2.3
480.14572	1.9
481.15204	2.0
482.15887	2.1
483.16632	4.0
484.17874	0.9
485.18405	5.1
486.19559	0.8
495.16641	10.6
496.17661	5.1
497.18195	10.0
498.18820	1.2
499.19989	1.2
502.18600	1.1
510.19147	1.1
513.18201	2.0
529.20923	1.4
555.18585	12.9
556.19507	1.4
557.20807	1.6
573.22327	2.6
583.22443	1.0
611.21057	2.9
617.22308	2.5
643.23615	5.8
644.24329	2.4
645.22107	2.8
657.25214	1.7
660.24396	8.9
675.26624	100.0
676.27063	9.1
697.24847	40.3
698.25012	3.5
757.39478	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02413	0.6
59.75149	0.6
64.97827	0.5
67.05501	0.7
71.12386	0.6
77.93218	0.7
86.09726	1.2
87.74135	0.6
96.13210	0.7
105.50053	0.6
110.78056	0.5
117.47453	0.6
124.99966	1.1
128.26804	0.6
132.50212	0.6
153.31483	0.7
175.29800	0.6
184.07307	3.2
198.04279	0.7
262.33926	0.6
427.18890	0.7
444.17892	0.7
454.17328	0.8
455.13120	1.2
467.17542	1.0
468.13901	1.7
469.14816	6.8
470.15805	2.2
471.16415	1.0
481.14835	1.8
482.15869	10.4
483.16629	9.4
484.17072	3.1
485.18549	1.1
495.16772	2.5
496.17511	7.1
497.18222	39.2
498.18741	5.1
500.16928	1.0
510.19116	2.2
511.19659	4.5
512.20673	1.2
513.17755	0.8
515.19373	1.7
528.16522	1.9
538.20618	1.1
542.18085	2.2
555.18634	3.5
556.19592	3.4
556.86426	0.8
557.20251	3.7
571.21887	1.0
586.23615	0.8
611.21204	1.1
616.21875	1.9
629.22681	1.1
633.19208	3.1
634.19977	1.7
643.23889	10.5
644.24774	13.1
645.24274	2.4
657.25531	10.2
658.26569	0.9
660.24164	3.1
665.22168	12.9
666.22278	1.8
675.26630	100.0
676.27155	7.8
697.24835	24.0
698.24780	2.7
757.38995	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.7
57.03433	2.8
60.08171	8.6
60.97007	2.2
61.02929	4.3
67.05508	8.7
69.03410	3.0
71.07394	4.0
73.02905	4.0
79.05518	4.2
81.07079	7.1
85.02890	6.3
86.09714	48.0
86.10216	3.0
87.10050	2.7
91.03963	3.9
91.05492	4.9
93.07067	5.9
95.04975	2.8
95.08601	6.5
97.02887	3.6
98.98490	7.3
101.02448	2.4
105.07057	4.2
107.08597	3.1
109.10117	3.6
125.00023	44.9
132.64001	2.2
184.07355	100.0
185.07707	6.8
231.21022	2.6
257.13553	2.5
261.14481	3.8
519.29315	5.5
561.85052	2.5
757.44995	44.8
772.15265	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	758.469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.01876	9.0
55.05506	15.4
56.05053	1.7
57.03435	13.0
57.07087	2.5
60.08155	6.6
61.02924	2.5
65.03940	4.7
67.05505	73.9
67.05868	3.5
69.03433	2.2
69.07071	14.0
69.56954	5.6
71.04987	6.0
71.07378	2.1
73.02912	2.9
79.05498	61.3
81.03411	11.1
81.07058	65.9
83.04982	20.0
83.08617	8.7
85.02894	3.7
85.06544	5.9
86.09706	26.6
90.64717	1.6
91.05469	32.0
93.07044	65.0
93.90586	1.7
95.01371	1.9
95.04969	20.2
95.08602	36.0
97.02885	1.9
97.06540	13.3
97.10181	2.7
98.83044	1.7
98.98480	2.4
99.04451	3.6
102.09181	2.1
105.04525	3.0
105.07021	19.2
107.04959	35.5
107.05676	2.7
107.07913	3.3
107.08594	35.8
109.06514	4.0
109.10183	16.7
111.04445	35.6
111.08092	10.6
113.06026	2.4
117.07032	14.5
119.08592	23.1
121.06496	4.1
121.10149	44.9
123.08102	3.9
123.11708	4.6
125.00007	17.6
125.06005	3.0
129.07011	5.7
130.07767	2.7
131.04927	3.2
131.08562	16.3
133.10133	12.1
135.08052	3.8
135.11696	41.6
137.09610	2.0
143.08540	3.9
145.06506	8.2
145.10121	36.3
147.08063	4.7
147.11710	7.8
149.01338	1.8
149.02322	7.8
149.09630	7.9
149.13243	5.7
153.12756	11.9
155.08603	12.4
157.10143	2.2
159.11699	4.9
161.13345	4.6
163.11192	46.3
163.14914	3.6
173.09625	26.1
173.13300	3.7
175.14847	2.5
181.12245	18.5
184.07344	100.0
185.07686	3.0
187.14891	3.9
191.10655	25.5
209.11784	11.1
220.60458	1.7
227.12744	18.2
243.21077	6.7
261.22116	18.5
265.14340	44.5
267.16025	2.4
279.23196	3.1
281.14005	2.2
283.15402	93.9
284.15805	2.8
299.14871	2.6
301.16464	99.8
302.16907	4.8
312.32700	5.8
335.25806	63.8
336.26166	3.3
348.44760	2.0
361.23376	2.7
403.10394	2.0
429.11481	2.1
451.31934	3.8
469.32864	5.1
515.37512	11.4
525.35785	14.4
543.36829	39.6
544.37280	3.1
561.37878	56.6
562.37781	5.3
579.38879	2.1
758.42993	13.9
758.56769	3.7
778.11792	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.8
55.01873	7.6
55.05508	10.3
57.03443	8.3
57.07073	2.0
57.38215	1.1
59.05009	1.6
60.08168	4.3
61.02927	1.6
65.03952	1.6
67.05508	47.3
67.05868	2.5
69.03429	2.4
69.07069	12.6
69.24815	1.2
71.04991	3.7
71.07368	1.4
73.04726	1.2
74.75976	1.0
79.05496	29.3
81.03410	2.1
81.07064	39.0
83.04987	26.1
83.08628	5.8
83.09046	1.0
85.02915	3.0
85.06547	2.4
86.09709	19.0
91.03927	1.2
91.05469	15.1
93.07047	43.1
94.07332	1.6
95.04978	5.0
95.08607	25.4
97.06532	8.1
97.10235	1.1
98.98481	1.5
99.04452	3.0
99.08092	2.5
101.02405	1.7
105.07009	8.4
107.04945	3.9
107.08597	23.1
109.06543	1.8
109.10166	19.6
111.04448	56.0
111.08079	16.2
117.07021	5.7
119.08599	12.8
121.06526	3.1
121.10143	23.4
123.08095	1.3
123.11713	2.4
125.00011	15.1
125.06008	2.7
129.07005	2.0
131.08589	10.0
133.10124	6.5
135.08112	2.2
135.11690	28.4
137.13274	1.2
139.11163	1.3
145.10127	16.8
147.08084	1.4
147.11684	6.0
149.09633	4.1
149.13277	4.4
150.25781	1.2
153.12756	26.1
155.08530	1.2
159.11697	3.5
161.13281	2.7
163.11188	41.9
163.14886	1.3
173.09590	8.4
173.13240	2.2
181.10652	2.0
181.12245	40.0
184.07350	79.7
185.07660	1.2
186.07832	1.7
186.13321	1.1
191.10690	31.1
209.11740	11.8
220.86588	1.2
227.12767	36.7
227.15039	2.1
243.21042	3.3
245.13817	2.7
261.22125	17.0
283.15424	86.6
284.15863	2.6
301.16483	57.2
302.16876	2.9
317.24677	3.1
331.16248	1.3
334.37222	1.3
335.25806	78.2
336.26285	4.2
457.31326	1.2
469.33432	1.6
533.45233	1.3
543.36981	14.1
561.37872	100.0
562.38300	9.5
758.56464	2.3
759.39630	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.6
53.35424	2.1
55.01878	10.8
55.05510	18.4
57.03444	15.2
57.07082	2.4
60.08156	5.4
61.02924	6.6
65.03935	4.5
67.05506	87.3
68.05830	1.8
69.03426	3.2
69.07069	20.7
69.40496	2.0
71.04981	5.9
71.07372	3.2
73.02887	2.3
79.05495	65.8
81.03408	11.4
81.07059	71.0
83.04983	19.0
83.08626	9.7
85.02888	5.7
85.06538	5.6
86.09704	30.5
88.73071	1.7
91.03944	1.7
91.05466	35.7
93.07047	68.4
95.04975	23.1
95.08608	52.1
95.09212	2.4
97.02876	5.4
97.06536	13.6
98.98445	3.8
99.04451	3.9
99.08073	1.8
103.05475	2.7
104.10757	3.8
105.04506	3.8
105.07027	25.4
107.04962	34.2
107.08598	39.1
109.06536	3.8
109.10168	22.1
110.68339	1.5
111.03751	2.7
111.04453	26.9
111.08112	9.6
113.05928	1.6
117.07029	18.5
119.03197	1.6
119.08592	24.1
121.06519	4.8
121.10154	54.1
123.04443	2.2
123.08073	3.7
123.11683	3.6
125.00012	19.3
125.06009	1.9
129.07007	4.9
131.04892	2.5
131.08571	19.6
133.10146	10.8
135.07985	2.8
135.11705	44.7
137.09648	2.9
143.08586	3.7
144.05751	1.8
145.06511	11.8
145.10123	41.8
147.08107	5.0
147.11662	9.3
149.09612	6.4
149.13245	6.7
153.12759	12.2
155.08524	10.0
159.11702	7.5
161.13203	3.7
163.11185	41.0
163.14838	3.3
165.12798	1.9
171.11594	2.2
173.09636	27.9
173.13268	5.3
175.14821	2.7
181.12198	18.0
184.07347	100.0
187.14755	2.3
191.10655	18.2
197.13252	2.1
209.11742	7.5
227.12749	15.3
243.21109	5.7
261.22131	21.6
265.14352	42.0
267.15781	2.4
277.21686	2.1
277.69348	1.8
279.23227	2.8
283.15402	85.5
284.15591	2.3
301.16458	57.3
317.24835	4.8
335.25818	97.6
336.26080	4.8
423.32611	2.0
437.20731	2.2
451.31989	6.0
465.20612	4.3
469.32993	5.8
515.37573	11.8
525.35791	13.5
526.35864	2.7
543.36835	68.4
544.37030	4.0
561.37872	91.1
562.37946	5.6
595.18616	3.6
759.42853	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	758.569
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	0.6
58.06606	0.3
60.08162	6.0
66.04959	0.1
67.05499	0.2
69.25765	1.0
71.07373	2.6
71.36417	0.1
81.07043	0.2
86.09702	29.9
87.10046	0.4
98.98463	2.3
101.44478	0.2
104.10735	1.8
124.99996	19.0
143.01094	0.2
150.44325	0.2
170.33719	0.1
184.07332	100.0
185.07674	0.7
316.45166	0.2
758.56995	2.4
759.56427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.3
53.65686	0.4
55.01868	1.6
55.05512	2.1
56.05035	0.5
57.03434	2.3
60.08160	0.8
60.63571	0.4
60.84806	0.4
61.02924	4.8
65.03954	0.6
67.05505	11.6
68.05846	1.0
69.03426	2.8
69.07072	2.2
69.32534	2.3
71.01344	0.6
71.05013	0.9
71.07366	0.5
73.02914	2.6
77.03954	0.5
79.05495	10.4
79.17590	0.4
80.05848	1.2
81.03428	2.8
81.07061	9.4
81.07509	0.8
82.07371	0.8
83.04958	2.2
83.08626	0.8
84.05340	0.5
85.02906	4.6
85.06545	0.6
86.09707	3.7
87.04465	0.6
91.03955	2.8
91.05466	6.9
92.05795	0.7
93.06464	0.6
93.07043	9.6
93.07606	0.7
94.07396	1.2
95.04974	2.6
95.08598	6.3
96.08948	0.9
97.02891	3.7
97.06531	1.5
98.98443	0.7
99.04474	1.0
101.02402	1.4
103.00973	0.4
104.10758	0.8
105.04554	0.5
105.07026	5.7
107.04923	2.5
107.08599	5.1
108.08921	0.8
109.02922	0.8
109.06528	0.9
109.10175	2.2
111.04448	1.8
117.07019	2.2
119.08574	4.2
120.09010	0.4
121.06548	0.5
121.10147	4.8
122.10453	0.4
123.08090	0.5
125.00005	2.9
127.03935	1.4
129.07040	1.9
131.08588	2.5
133.10127	2.3
135.08051	0.4
135.11696	3.3
136.12099	0.5
143.08620	0.8
145.06474	0.7
145.10120	3.9
146.10489	1.2
147.11690	3.1
147.39563	0.5
149.13300	0.7
153.12756	0.5
155.08574	0.9
157.10172	0.5
159.11725	0.7
161.13261	0.8
163.11171	2.4
164.11546	1.0
171.11729	1.8
173.09694	1.5
173.13319	1.1
174.10022	0.9
177.09251	0.5
181.12303	1.1
182.12625	0.5
184.07333	12.1
184.08856	0.8
185.04311	0.7
185.07785	1.2
191.10721	1.0
202.49771	0.5
227.12846	1.2
243.08492	2.9
247.13190	1.4
261.22260	1.5
262.22522	0.7
265.14453	2.0
266.14761	1.6
283.15326	4.5
284.15817	2.7
301.09021	1.2
301.16357	2.7
302.16849	2.2
303.15799	0.6
315.10599	0.5
335.25775	4.2
336.26132	4.6
465.20944	8.3
465.26907	0.6
495.22513	0.9
516.37726	0.5
526.36469	0.9
535.28918	5.6
537.23639	0.8
543.37036	1.2
544.37292	5.0
544.82410	0.5
545.38208	0.6
561.38098	1.2
562.38098	6.6
565.25659	0.6
739.47211	0.5
759.42877	100.0
760.43097	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	759.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.20958	0.5
67.05493	0.9
69.07069	0.6
71.47095	0.6
79.05483	0.6
80.59416	0.4
81.07050	0.8
86.09695	1.2
86.42259	0.5
93.07053	1.0
95.08598	0.6
125.00028	0.5
126.42593	0.5
133.10054	0.5
184.07349	2.7
249.46376	0.5
276.76822	0.4
336.87985	0.5
338.16833	0.5
391.24542	100.0
392.24826	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	760.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.7
55.01867	0.7
61.02927	0.8
69.03410	2.0
70.06578	1.3
72.08165	1.2
73.02875	0.6
73.46438	0.6
78.04689	0.9
79.05482	2.9
81.03042	0.6
81.03423	9.0
85.02908	9.2
88.53616	0.6
91.05461	1.8
95.04961	1.8
97.02883	3.0
99.81332	0.7
101.24777	0.7
102.04675	0.8
103.05482	1.4
105.07040	1.7
107.04957	9.7
110.40292	0.7
115.05458	5.7
117.07019	16.4
121.06530	0.9
122.03635	0.8
123.04424	2.3
124.05209	1.6
125.06004	0.7
127.03909	2.2
128.06180	0.8
129.06967	2.9
131.04913	1.0
131.08548	3.0
133.06477	1.2
139.07504	0.6
141.06961	1.4
143.04840	0.8
144.05704	2.4
145.02795	0.8
145.06482	37.5
147.07962	0.8
149.05988	0.6
152.04657	1.3
153.05519	1.0
155.06004	6.6
155.07050	0.8
156.05699	5.4
157.06464	1.9
158.07220	0.7
159.08046	4.5
160.05118	0.7
161.05940	3.0
162.07620	1.5
163.03928	0.9
167.07036	43.2
168.07422	0.8
169.07649	1.4
173.05981	67.3
174.06480	1.0
175.07559	1.7
177.05450	1.3
180.08633	2.9
181.05008	0.9
183.06633	0.9
184.05183	2.5
187.07568	6.9
190.06248	37.8
191.06937	2.8
193.08521	1.2
195.06406	0.7
202.06210	3.6
203.07042	7.2
204.07719	1.0
205.08600	100.0
206.08952	2.3
207.06561	0.8
208.05107	0.9
215.07007	1.8
217.08594	43.1
218.09021	1.7
219.08131	1.3
219.10178	3.5
223.09703	2.2
229.08562	0.9
231.08209	0.9
233.09636	0.7
235.07283	1.5
235.09644	31.1
247.07552	1.4
247.09653	6.5
248.08304	2.5
254.05769	0.7
255.06343	1.1
261.09052	1.4
263.07242	0.7
263.10495	1.4
264.07813	1.0
265.10712	57.8
266.11111	1.4
269.08057	1.8
271.09650	3.1
275.06985	0.7
276.07822	1.0
279.10117	0.9
290.09543	0.8
291.10291	2.0
293.08057	1.1
299.09186	1.1
307.09573	1.5
308.10333	1.0
311.12839	0.7
315.08691	4.3
319.09482	1.3
321.07547	1.1
323.12769	2.5
330.10968	6.8
331.11697	2.3
337.10455	0.9
339.12354	1.4
343.11664	0.8
351.12192	2.7
353.09863	0.8
368.12531	0.9
369.13333	1.1
371.14862	2.6
383.14941	11.2
401.15961	22.7
402.16263	0.9
444.76520	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01870	0.9
55.05513	1.0
57.03450	0.7
61.02915	3.7
67.05508	3.6
69.03436	2.5
69.07064	1.1
69.78651	0.7
69.78996	1.9
73.02914	4.1
79.05510	2.4
80.18851	0.6
81.03432	1.3
81.07048	4.2
83.04992	0.7
83.08635	0.7
83.38879	0.8
85.02895	3.4
86.09721	1.5
87.10046	0.8
91.03973	3.1
91.04519	0.6
91.05501	2.4
93.07025	3.1
95.05016	1.0
95.08624	2.2
97.02884	4.5
99.00880	0.7
101.01780	0.7
101.02410	2.5
105.07024	0.6
107.05084	0.7
107.08620	1.9
109.02871	1.4
109.10217	1.0
117.07077	0.6
119.08556	1.1
121.10167	1.5
121.45605	0.6
125.00034	1.2
127.03932	1.7
133.10164	2.5
135.11742	1.2
151.11169	0.8
161.09669	1.2
171.21547	0.6
179.10808	0.8
184.07358	3.4
185.07658	0.8
243.08516	1.0
265.10327	1.0
423.39935	0.6
483.18393	8.8
519.29218	4.3
553.59802	0.7
761.40790	100.0
762.40851	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01868	0.9
55.05520	2.5
55.33429	0.7
57.03444	2.3
61.02927	6.1
61.21884	0.6
62.54535	0.5
67.05505	7.3
67.25549	0.6
69.03429	4.3
69.07077	2.7
69.50011	2.9
71.04998	0.7
73.02921	4.3
76.42039	0.6
79.05504	4.0
81.03432	2.6
81.07056	6.0
83.08648	1.5
85.02909	6.7
86.09723	1.2
89.98701	0.6
91.03946	5.0
91.05480	4.0
93.07059	3.7
95.08614	4.1
97.02888	5.5
99.04479	1.0
101.02393	2.2
105.07068	2.0
107.08618	2.9
109.02945	0.9
109.10185	2.3
119.08604	1.3
121.10173	2.6
123.08047	0.7
125.00014	1.2
127.03950	1.7
131.08588	1.3
133.10201	1.8
134.14124	0.7
135.11713	1.4
145.04945	0.9
145.10178	0.9
147.11777	0.7
161.87930	0.6
173.60522	0.7
184.07367	3.5
185.04218	0.9
203.05354	0.6
243.08578	1.0
272.49426	0.7
311.16956	0.6
316.15244	0.7
335.25546	0.7
342.06436	0.6
483.18176	3.2
519.29407	7.6
520.29675	0.7
572.47675	0.9
599.35657	1.3
644.63971	0.7
648.52667	0.7
761.40826	100.0
762.41217	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
71.80465	0.4
71.89854	0.4
85.02916	0.8
97.02899	0.5
102.38387	0.4
105.07063	0.4
112.29502	0.4
137.05876	0.5
175.07437	0.4
181.04970	1.6
182.42094	0.4
209.08173	0.5
235.09740	0.6
252.30838	0.4
281.22598	0.6
299.23340	0.4
389.01068	0.4
393.18820	100.0
394.19147	4.1
763.33014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.0
55.01872	0.6
55.05511	1.5
57.03440	2.0
59.99121	0.5
61.02929	5.4
67.05502	5.0
69.03429	2.7
69.07066	1.1
69.26997	2.2
70.06607	1.4
73.02924	4.0
79.05499	3.2
81.03435	2.0
81.07058	5.0
83.05021	0.5
83.08639	0.7
85.02911	6.5
88.07640	1.4
91.03955	2.9
91.04992	0.5
91.05497	2.7
93.07051	3.8
95.04983	1.0
95.08616	4.4
97.02892	4.8
99.04451	0.9
101.02390	2.0
102.09187	0.8
105.03388	2.8
105.04524	0.7
105.07039	1.4
107.04977	0.5
107.08640	1.6
109.02903	0.8
109.10197	1.6
111.04492	0.7
119.08595	0.6
121.10173	2.0
123.11704	0.6
127.03924	1.5
128.62943	0.5
131.08594	1.3
133.10141	0.9
134.00940	0.5
135.11690	1.0
142.05708	0.5
145.10170	1.3
147.11612	0.7
149.02385	0.8
149.06030	2.1
149.13385	0.7
150.06377	0.9
163.11232	0.6
173.13428	0.6
175.14859	0.5
243.08517	1.9
256.26462	1.0
257.26709	1.2
267.12042	1.0
298.22354	0.6
335.25949	0.8
485.20169	4.3
519.29156	5.8
534.14661	0.7
759.04608	0.6
763.42316	100.0
764.42828	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40158	0.7
57.03440	1.3
61.02942	4.5
65.85870	0.7
67.05513	3.5
67.07536	0.7
69.03445	3.3
69.07091	0.9
70.06612	0.7
73.02913	3.5
79.05509	3.1
81.03439	1.1
81.07069	3.1
85.02915	4.8
88.07631	0.9
91.03966	1.6
91.05476	2.0
93.07048	4.1
95.04980	1.7
95.08625	2.9
95.24376	0.6
97.02887	3.4
99.04484	1.0
101.02394	2.1
102.09169	0.8
105.03415	2.0
105.07053	1.4
107.05013	1.5
107.08631	2.0
109.10188	1.5
111.04428	0.7
117.07032	1.4
119.08647	1.1
121.10184	2.6
124.99905	0.7
127.03974	0.8
135.11740	1.6
140.22374	0.7
143.40916	0.7
145.10150	1.9
163.11192	1.0
173.09615	1.0
185.04298	0.8
197.24881	0.8
203.05327	0.9
243.08424	0.8
275.52164	0.8
308.92236	0.7
470.41763	1.0
485.19806	9.5
519.29333	3.7
665.21741	3.9
763.42340	100.0
764.42889	9.5
768.05194	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01872	0.7
55.05503	1.1
56.93228	0.5
57.03431	2.0
61.02927	5.7
67.05507	5.9
69.03431	4.3
69.07078	1.2
69.16388	2.6
71.01368	0.6
71.04990	0.8
73.02922	5.1
78.72419	0.5
79.05502	4.2
81.03416	2.0
81.07054	5.9
83.05010	1.2
85.02900	5.7
85.03328	0.4
91.03944	3.8
91.05494	2.4
93.07052	5.2
95.04987	0.7
95.08609	4.7
97.02900	4.8
97.06552	0.6
99.04474	0.8
101.02407	1.8
103.03937	0.6
105.07072	1.9
107.08604	3.4
109.02876	0.8
109.10144	2.1
111.04493	1.3
115.04001	0.5
117.07059	1.0
119.08586	1.0
121.10139	2.1
127.03960	1.5
131.08589	1.2
133.10179	1.0
135.11749	1.8
145.10141	0.9
147.11678	0.5
149.13336	0.5
153.12727	0.5
159.11801	0.5
163.11214	1.1
181.12286	0.8
185.04253	0.4
191.10754	0.8
203.05296	0.5
243.08472	2.1
267.12036	9.2
323.14911	1.2
335.25970	1.2
350.53766	0.4
352.30719	0.4
365.00058	0.5
420.14133	0.5
485.19821	5.0
519.29266	8.3
601.37067	0.5
763.42346	100.0
764.42615	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	764.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.8
67.05486	3.0
69.03410	1.8
69.25420	9.1
70.06570	1.5
71.44780	1.6
72.52551	1.6
76.25620	1.8
79.05510	2.6
81.03413	4.8
85.02902	3.9
90.10210	1.8
91.05480	6.4
93.03426	1.6
95.04947	4.5
97.02909	2.6
103.05461	19.0
105.04477	1.5
107.04956	6.5
108.02100	2.1
109.06499	2.2
115.05478	2.2
117.07018	5.1
118.04155	4.9
119.04951	6.4
121.06498	3.2
122.03637	2.8
123.04414	3.2
125.06015	3.4
127.03947	1.6
129.07039	2.5
130.04266	1.7
131.04932	27.6
133.02908	3.7
133.06482	4.6
135.08061	2.1
137.05977	66.4
141.05370	2.3
143.04922	2.2
145.06526	5.0
147.04419	7.2
147.08015	1.9
148.05190	10.1
149.06013	3.6
151.03911	79.3
151.04976	4.8
151.07552	4.4
153.05437	1.8
155.57346	1.6
159.08047	1.9
160.05264	2.1
161.05992	5.5
163.07533	26.5
165.05423	2.8
165.09157	2.0
167.07053	28.8
173.05977	7.6
174.06729	2.0
175.07558	19.5
176.04590	3.0
177.05418	7.6
179.07045	7.7
181.04959	30.1
181.06418	3.2
187.07507	7.4
189.05423	3.1
189.09036	2.5
190.06241	2.6
191.07027	100.0
203.07021	5.1
205.08629	15.5
207.06427	2.7
207.10295	1.8
209.08109	10.8
217.08609	5.1
221.08095	1.7
233.08136	5.7
234.27133	1.7
235.07504	3.2
235.09595	14.7
236.80728	1.6
237.09137	3.7
241.48885	1.8
247.09679	1.9
263.09167	20.6
265.08353	1.9
265.10779	8.6
301.10696	2.0
309.11185	2.4
327.12265	3.3
337.10803	2.6
339.12384	2.1
353.13751	4.5
355.11627	7.4
369.13354	8.4
371.14948	8.4
387.14386	78.3
388.14560	3.2
528.11804	1.5
549.19330	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	764.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.28681	0.8
57.03419	1.0
65.03944	2.4
69.03426	3.2
70.06581	1.5
70.16950	1.4
70.17297	1.3
73.28156	0.8
74.66484	0.7
75.04510	0.7
77.03949	0.9
79.05495	1.9
81.03411	5.5
83.37899	0.8
85.02892	4.0
91.05480	3.8
94.04191	1.0
95.04961	2.2
97.02909	1.6
103.05465	16.7
105.03400	1.3
105.07032	2.9
107.04946	4.8
108.02137	1.3
109.06503	1.3
111.04469	1.2
115.05438	2.8
117.07001	4.1
118.04170	3.0
119.04935	5.5
121.06521	2.2
122.03656	2.8
123.04438	1.7
124.05223	0.9
125.05991	2.6
127.03924	1.9
129.06982	1.8
130.04190	1.1
131.04933	24.8
133.02872	1.7
133.06473	4.5
134.11641	0.7
135.04424	1.3
135.08008	1.3
137.05978	60.8
138.06348	1.7
141.05515	1.9
143.04958	2.9
145.04958	0.7
145.05392	0.9
145.06468	6.5
147.04399	6.3
147.08047	2.0
148.05183	8.8
149.05962	2.3
151.03905	79.6
151.04976	5.4
151.07535	3.6
152.04288	1.9
153.05453	4.8
156.05759	0.9
157.06511	2.4
159.08022	2.1
160.05197	1.8
161.06000	3.7
163.06192	1.4
163.07542	24.0
165.05496	3.1
165.09149	1.0
167.07042	19.8
168.07448	1.1
169.06558	1.1
171.04436	1.5
173.06006	7.9
174.06763	1.0
175.07542	13.6
176.04712	2.3
177.05482	5.2
177.09048	1.6
179.07039	8.1
181.04950	25.1
181.08499	0.9
185.06119	0.9
187.07497	5.9
188.08173	0.9
189.05463	1.8
189.09157	3.0
190.06285	2.0
191.07028	100.0
192.07402	1.9
193.08623	1.9
197.05855	1.0
199.07455	0.8
201.05428	1.3
201.09138	1.2
203.07033	6.1
205.06631	1.7
205.08562	15.1
207.08197	1.2
207.10068	1.5
209.08049	3.0
211.07611	1.5
215.07034	1.0
217.08589	6.6
219.08197	0.9
219.10210	2.3
221.08022	1.5
225.09274	1.0
229.08594	1.8
231.06429	0.8
233.08089	3.5
234.06676	1.1
235.07533	1.4
235.09642	12.6
237.09073	2.9
247.09816	1.7
249.09126	2.0
250.06239	0.9
253.08633	0.9
257.08072	1.2
263.06665	1.7
263.09146	18.0
265.08441	1.8
265.10797	9.4
267.10068	1.4
269.11700	0.9
277.08649	2.0
279.10263	1.7
293.10455	1.4
295.09616	2.5
299.09058	1.4
299.12717	1.1
300.09839	1.9
301.10629	1.9
307.09695	4.0
309.11136	2.0
311.11426	1.8
325.10660	1.8
327.12299	2.4
329.13712	2.5
337.10608	1.4
339.12308	3.6
341.13727	2.9
351.12198	2.4
353.13907	2.6
355.11685	7.9
357.13342	2.9
365.13910	0.8
369.13306	6.2
371.14862	6.9
387.14374	82.7
388.14709	4.5
473.25668	1.0
549.19714	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	764.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.1
55.05511	2.4
57.03442	2.8
58.23306	1.5
61.02920	2.5
67.05513	8.6
69.03430	11.7
69.07070	4.7
69.33945	3.5
69.34333	3.2
71.04990	2.2
73.02927	2.8
79.05498	3.5
81.03410	11.2
81.07061	17.8
83.08633	1.8
85.02907	29.5
87.00828	10.7
88.96767	1.4
90.78769	1.4
91.05499	5.3
93.07043	10.8
95.08615	19.1
97.02908	12.8
97.10180	2.6
97.26479	1.2
99.04468	3.4
105.01878	13.9
105.07028	16.2
107.08597	14.2
109.02902	10.0
109.10159	20.6
117.07009	2.3
119.08598	11.4
121.10132	15.7
123.11710	10.0
125.09650	2.2
127.03916	19.2
129.07001	1.5
131.08568	7.8
133.10126	19.9
135.11682	11.2
139.11198	4.7
143.08591	5.0
145.04982	6.1
145.10133	15.2
147.11693	37.7
149.13278	12.3
151.11223	3.4
157.10155	5.5
159.02937	4.2
159.11717	16.8
161.13240	12.0
163.11234	1.4
163.14909	2.4
165.12828	1.5
171.11726	4.7
173.13243	13.6
175.14828	3.7
179.10661	7.2
185.13312	5.3
187.14857	3.3
189.16238	1.5
191.10698	1.5
191.14328	4.1
193.12263	18.9
199.14783	13.6
201.16324	1.4
203.14352	3.6
205.12254	4.9
207.13960	2.0
211.14751	1.6
213.03903	5.1
213.16362	4.5
215.17923	3.8
221.15517	1.6
227.17966	5.9
229.19560	3.1
231.05016	6.0
231.13835	2.2
245.15434	3.1
249.06108	4.0
255.21080	56.7
256.21429	2.8
257.22614	8.4
265.19440	1.6
271.20691	3.4
273.19058	2.5
273.22113	39.3
275.23651	2.4
276.48141	1.4
283.20599	5.1
291.23102	17.7
299.19946	1.7
301.21628	100.0
302.22000	4.2
319.22714	13.5
337.23691	7.5
369.95566	1.4
427.24902	1.9
463.26834	14.1
485.25089	6.4
503.26257	12.0
521.27570	24.6
522.27557	1.8
531.25885	7.4
539.28674	6.8
549.26672	5.6
567.28119	2.7
764.29547	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.6
55.05516	8.7
57.03440	7.7
57.07059	1.9
61.02940	6.2
65.17728	1.9
67.05503	15.3
68.99791	4.2
69.03434	38.4
69.07061	11.1
69.93120	5.6
71.04998	8.9
73.02913	6.8
79.05495	17.5
81.03421	38.1
81.07064	36.7
83.01368	3.0
83.08635	4.8
85.02908	100.0
87.00327	1.4
87.00826	41.4
87.01321	3.1
87.04492	2.2
91.03950	3.6
91.05479	14.4
93.07050	24.9
93.07594	3.3
95.04949	6.1
95.08614	36.3
97.02901	56.7
97.06485	1.9
97.10155	5.6
99.04445	19.0
99.08085	2.0
103.03955	2.2
103.59213	2.2
105.01871	46.1
105.02534	3.4
105.04563	3.0
105.07030	45.5
107.04980	3.5
107.08601	37.4
109.02883	57.3
109.06544	3.3
109.10165	24.1
111.04491	2.7
115.03899	2.8
117.01871	2.7
117.07019	5.5
119.08586	32.3
121.06546	2.8
121.10146	22.8
123.08075	3.6
123.11729	8.5
125.06013	4.9
125.09631	2.8
127.03920	82.4
128.06232	2.3
129.01843	6.6
129.07030	3.2
131.08571	24.4
133.10147	21.1
135.11668	13.3
137.13255	5.1
142.07861	3.7
143.08553	12.0
144.09315	2.4
145.04964	30.3
145.10117	64.7
147.02873	3.2
147.08051	3.2
147.11696	18.8
149.13293	15.1
155.08528	2.3
157.10094	15.6
159.02853	18.4
159.11679	23.0
161.09628	4.0
161.13284	11.7
163.11192	2.6
163.14876	5.4
166.91418	2.4
169.10158	3.1
171.11711	17.3
173.09680	2.1
173.13260	21.9
175.14839	12.0
177.16411	5.2
183.11726	2.9
185.13249	15.9
187.14828	8.8
189.16374	5.9
197.13234	4.5
199.14804	19.7
201.12854	2.2
203.14339	2.9
213.03940	19.1
213.16408	7.0
215.17934	2.5
219.13878	2.7
227.17946	8.3
229.19560	8.8
231.05014	42.1
231.21054	4.0
233.06657	3.1
237.16528	2.6
243.20943	3.2
249.06128	10.2
253.19547	5.8
255.21082	74.8
256.21338	3.4
256.94067	2.2
257.22601	2.3
257.70352	2.0
271.20593	4.7
273.22079	35.1
283.20517	5.7
291.23157	23.2
301.21631	68.5
302.22064	3.7
319.22675	58.1
320.23126	2.2
329.21283	2.7
363.23193	3.0
381.24234	5.9
399.25513	2.3
418.26044	1.9
439.87799	2.4
485.25232	4.5
503.26483	7.7
513.25421	3.4
521.27258	6.6
531.25861	15.5
532.25537	3.4
549.26941	32.0
567.28027	72.9
568.28088	5.7
585.28943	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	765.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01590	0.3
63.02363	0.4
63.91209	0.3
69.07034	0.4
70.06601	0.3
77.03944	0.3
79.05486	1.3
82.06554	0.4
84.08132	0.5
88.07639	0.7
89.03378	0.5
89.03916	8.9
95.04964	0.9
100.07622	7.3
100.08207	0.2
100.11257	0.9
102.09228	0.4
105.03362	0.3
107.04945	2.3
109.06527	0.6
110.03604	0.4
117.02551	0.7
117.03377	10.9
119.04930	0.4
123.04429	1.6
125.06044	0.4
130.06523	2.2
131.04942	0.9
135.04414	20.4
137.02324	1.4
137.05980	6.8
139.03880	1.1
145.02849	17.5
146.03221	0.4
147.04420	0.8
151.03889	0.8
156.04471	0.5
159.04431	1.1
161.05994	0.6
163.03900	100.0
164.04230	1.8
173.05984	0.4
175.03900	0.9
176.41365	0.3
177.05479	0.9
177.06886	0.5
184.03940	2.6
186.03058	0.5
186.05594	0.6
187.03864	13.8
188.04446	0.4
189.05496	0.7
191.07007	0.5
193.06488	0.6
195.07941	0.4
201.05431	16.5
201.40817	0.3
202.04936	0.4
203.03363	0.6
205.06445	2.1
207.08041	0.4
210.06636	0.4
212.03416	3.6
220.05127	1.6
221.03831	0.5
221.05965	7.1
222.06792	0.4
223.07553	3.1
226.05031	0.9
229.03668	0.7
230.04446	5.9
231.02917	1.7
233.05959	2.2
235.07524	4.2
237.05553	0.8
237.09109	1.5
238.06235	1.7
242.04514	0.8
244.06058	3.9
245.04327	0.7
248.04736	2.3
249.05467	10.5
250.06204	1.0
251.07024	3.1
253.08607	1.2
256.05881	0.4
262.10754	1.0
263.07047	7.9
263.09753	0.6
264.07471	0.6
265.08423	1.4
266.05725	6.2
268.07257	0.4
276.04089	0.6
276.06876	0.5
277.05142	9.7
278.05725	2.1
279.06476	0.9
280.06873	0.3
281.08121	2.5
283.09732	1.7
291.06430	4.2
291.08835	0.4
293.07956	0.9
294.05225	11.1
295.04474	33.2
296.04803	0.9
299.09290	0.4
300.08691	0.4
305.04443	3.8
308.09348	0.6
309.07562	40.9
310.07828	1.4
311.09088	2.0
312.08713	0.4
319.06079	1.0
322.04617	2.1
326.10144	0.4
336.08615	0.9
337.07047	33.2
338.07358	1.2
354.09720	20.6
355.07993	4.1
366.09698	0.6
408.14322	0.4
424.13898	7.0
436.13925	29.1
437.14166	1.0
453.16196	2.4
469.07565	1.4
487.08722	3.2
556.14587	0.9
568.14288	1.6
574.15479	2.5
586.15570	15.9
587.15607	0.9
603.17987	5.4
604.09229	0.4
748.18304	1.0
765.21606	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	765.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02378	0.2
69.07047	0.2
70.06606	0.3
71.45862	0.2
76.06501	0.2
79.05488	0.7
82.06589	0.2
84.08139	0.3
86.09710	0.2
88.07645	0.8
89.03920	5.7
95.04950	0.2
100.07619	5.2
100.11238	0.6
102.16608	0.2
105.04514	0.2
107.04938	1.5
117.03387	5.5
121.50651	0.1
123.04436	0.4
130.06517	0.3
135.04419	11.4
137.06020	0.3
139.03918	0.8
142.60162	0.2
145.02850	8.4
145.03810	0.3
159.04424	0.2
163.03908	42.5
164.04288	0.6
173.05981	0.3
174.06784	0.5
177.05563	0.2
178.07693	0.2
179.08507	0.2
187.03911	0.5
192.05739	0.4
193.06508	0.4
201.05405	5.0
205.06503	0.5
207.07948	0.2
210.06779	0.4
219.08078	0.2
220.05177	3.3
221.05980	8.8
222.06445	0.3
223.07545	0.3
225.08997	0.2
226.05031	0.6
230.04605	0.4
233.05981	0.5
234.06732	0.4
235.07541	10.4
236.07896	0.3
237.05470	0.8
237.09174	0.6
238.06252	1.2
242.04340	0.3
244.06017	1.4
248.04723	2.6
249.05489	5.1
250.06285	1.5
251.07050	0.4
252.07664	0.2
253.08609	0.4
256.06107	1.4
262.10809	0.8
263.07040	17.6
264.07480	0.7
265.08575	1.5
266.05743	8.5
267.06171	0.3
268.07339	1.0
276.04007	0.2
277.03317	0.4
278.05728	0.2
279.06485	0.8
280.07242	0.4
281.08072	2.6
283.09650	3.8
285.07617	0.3
291.06436	1.6
294.05252	0.6
295.04538	1.7
299.09119	3.5
307.06137	0.3
308.09256	0.6
309.07562	100.0
310.07877	3.1
311.09058	0.2
314.10223	0.3
326.10165	1.2
327.08624	1.2
337.06967	0.4
348.96838	0.2
354.09659	2.6
388.43896	0.2
408.14386	2.2
424.13931	2.4
436.13916	9.5
437.14276	0.2
441.08093	0.4
453.16086	1.1
487.08545	0.3
504.10608	0.3
568.14490	0.3
574.15533	2.1
586.15607	10.8
587.15668	0.4
603.18109	5.2
604.18549	0.3
622.38916	0.2
748.18005	0.5
765.21259	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	765.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06608	0.5
73.27845	0.5
87.28031	0.5
91.09275	0.4
95.04971	1.0
98.97594	2.7
104.24776	0.5
107.04955	13.4
110.97596	0.8
113.35528	0.5
125.70330	0.4
128.98599	0.6
165.72997	0.4
167.07118	0.5
170.99741	0.4
181.04967	1.0
201.00737	0.6
206.31912	0.4
219.01727	2.2
220.60541	0.4
237.02727	2.4
261.02939	0.8
279.04016	0.5
316.44955	0.6
325.05734	0.7
367.07028	1.3
402.07471	0.5
479.12241	4.3
490.50293	0.6
497.14133	29.8
498.14478	1.9
584.19543	0.5
659.19611	4.5
660.20764	0.7
765.23578	100.0
766.24005	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	767.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83041	0.4
55.05515	1.4
55.74836	0.4
56.05035	0.9
63.02365	1.0
67.05503	0.7
70.27895	0.4
70.28228	1.1
71.28822	0.4
72.08155	2.5
79.05500	1.2
84.08150	12.0
85.08488	0.5
89.03916	10.5
94.04163	0.5
94.22416	0.5
101.10773	1.4
102.09180	8.0
107.04954	2.7
109.06497	0.9
117.03388	12.6
118.03695	0.6
119.11819	12.7
123.04422	2.3
135.04417	22.9
137.02354	4.7
137.05983	19.7
145.02855	18.7
145.03816	0.6
145.25865	0.5
146.03203	0.6
147.04419	1.1
151.03889	2.3
159.04463	0.5
161.06076	0.8
163.03906	100.0
163.47910	0.5
164.04230	2.5
167.07047	0.7
167.95018	0.6
169.45323	0.5
175.03868	1.3
177.05560	0.8
187.03845	2.5
189.05489	1.0
193.06458	0.9
201.05469	1.6
203.03403	2.2
205.06456	1.7
207.08220	0.6
210.06688	1.0
213.01874	0.7
217.06610	0.6
220.05229	1.8
221.05981	8.0
222.06711	0.6
223.07556	2.1
230.04434	3.2
231.02872	8.3
233.06096	1.1
235.07536	5.6
237.09172	0.9
238.06207	1.7
238.42734	0.5
244.06062	5.6
245.04271	3.0
246.11368	0.9
248.04732	2.3
249.05478	14.6
250.06192	2.1
251.07120	3.0
253.08582	1.7
263.07028	8.8
263.13821	1.8
264.07706	0.7
265.08514	1.1
266.05771	7.4
268.07321	1.7
270.01028	0.5
273.05667	0.5
276.04138	1.0
277.05045	14.6
278.05591	2.1
279.06482	0.8
281.08078	4.3
281.14984	1.6
283.09637	1.9
285.03912	1.0
291.06516	5.0
293.08038	1.6
294.05206	11.9
295.04468	31.4
296.04712	0.9
296.42438	0.5
305.04425	4.3
309.07568	40.7
309.66656	0.5
310.07864	1.6
311.09061	2.3
317.06616	0.6
319.05963	1.5
322.04709	2.8
323.47446	0.5
337.07065	32.6
338.07483	1.5
339.08582	0.7
354.09528	0.9
355.08090	6.9
366.09659	1.0
380.15015	1.2
408.14459	10.7
420.14548	1.1
426.15359	1.5
433.64240	0.6
437.17184	6.1
438.16574	0.7
455.18176	28.7
456.18710	1.0
473.19196	0.7
487.08759	1.7
558.16003	2.5
587.18817	11.7
605.19830	40.4
606.19690	1.9
617.20978	0.9
732.18024	0.6
749.21930	11.0
750.21393	1.0
767.22980	11.8
768.22931	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.6
56.05008	0.4
63.02356	0.5
67.05479	0.3
70.06570	0.3
70.82285	0.4
72.08163	1.7
79.05477	0.6
84.08144	5.4
89.03468	0.4
89.03926	4.6
97.08248	0.3
98.06031	0.4
101.10773	0.7
102.09178	5.0
107.04971	1.3
115.81147	0.3
117.03378	4.9
119.11821	8.1
135.04417	11.1
136.04779	0.3
137.05959	0.5
145.02843	8.0
163.03906	44.7
164.04250	1.0
167.06984	0.4
174.06755	1.3
177.05464	0.4
191.46074	0.2
192.05809	0.4
193.06410	0.4
201.05389	3.0
205.06479	0.7
207.08028	0.5
210.06792	0.4
220.05183	3.0
221.05969	7.5
222.06522	0.5
223.07437	0.7
233.05959	0.7
234.06706	0.5
235.07523	8.0
236.07983	0.5
237.05452	0.8
237.09077	1.3
238.06303	1.0
244.06013	0.5
246.11383	1.0
247.07559	0.7
248.04666	2.5
249.05452	4.7
250.06302	1.7
251.07062	0.8
256.06070	0.5
263.07037	17.0
263.13773	1.7
264.07495	0.6
265.08597	3.5
266.05725	6.4
266.08539	0.5
267.06168	0.7
268.07254	4.4
281.08026	2.6
281.14990	1.1
282.08865	0.4
283.09631	10.6
283.12781	0.5
284.09937	0.4
291.06497	2.8
294.05222	1.2
295.04269	2.6
295.09570	0.4
299.09137	3.8
309.07559	100.0
310.07895	5.1
311.08359	0.6
327.08618	2.4
337.07095	0.5
380.14923	7.8
381.15402	0.4
408.14417	5.7
420.14368	0.4
426.15582	1.6
437.17111	3.2
438.15472	0.5
455.18155	19.2
456.18329	0.9
473.19360	0.4
489.62759	0.4
540.14539	0.4
558.16364	1.4
569.17706	0.3
570.15717	0.4
582.57568	0.3
587.18671	9.7
588.18018	0.6
599.19904	0.7
605.19757	29.5
606.20117	1.5
617.21185	0.7
749.08270	0.6
749.21716	9.1
750.21777	1.0
767.22833	10.2
768.23535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
55.56924	0.6
56.05032	0.9
65.03915	0.5
69.97984	1.1
70.06577	0.9
72.08169	3.1
79.05518	0.9
84.08144	7.6
87.37723	0.6
89.03922	7.4
90.80917	0.5
95.04923	0.5
100.07621	1.0
101.10764	0.9
102.09203	5.8
107.04951	2.6
114.80466	0.6
117.03386	8.8
119.11825	7.9
120.08002	0.6
121.06416	0.6
123.04419	1.3
135.04425	17.2
136.04831	0.7
137.02321	1.6
137.05980	6.4
139.03908	1.1
145.02852	13.5
146.03160	1.0
147.04385	1.1
150.65407	0.5
151.03883	1.0
163.03908	67.3
164.04256	2.7
164.07074	0.5
174.06755	1.0
177.05508	0.9
187.03894	1.6
201.05461	4.4
205.06508	1.4
210.06883	0.8
219.08043	0.6
220.05179	3.9
221.05962	11.0
222.06296	0.6
223.07506	1.6
230.04553	0.6
230.20050	0.5
231.02821	1.5
233.05986	0.8
234.06813	0.6
235.07518	9.8
236.07947	1.0
237.09259	1.1
238.06303	1.6
244.05989	1.8
245.04401	1.1
246.11255	0.6
247.07596	0.7
248.04770	3.0
249.05502	9.1
250.06282	2.9
251.06920	1.5
253.08611	0.7
263.07034	20.1
263.13879	1.4
264.07440	1.6
265.05057	1.0
265.08575	3.0
266.05719	10.5
267.06097	0.7
268.07339	3.9
277.05051	3.7
278.05640	0.9
281.07980	3.9
281.15042	1.1
282.08578	0.7
283.09711	7.5
291.06415	4.6
293.07959	0.7
294.05228	4.9
295.04419	10.9
299.09067	3.6
305.04419	1.1
309.07571	100.0
310.07913	8.0
311.08426	4.1
317.06705	0.5
322.04791	0.8
327.08560	1.6
337.07040	9.6
338.07391	0.7
339.08499	0.8
355.07913	2.9
367.09702	0.9
380.14886	5.8
408.14413	6.0
426.15424	1.3
437.17419	4.4
438.14972	0.8
455.18161	22.0
456.18704	0.9
487.08746	0.7
558.15765	2.2
576.15692	0.7
587.18683	9.3
588.16211	1.7
605.19818	38.0
606.19775	2.2
617.21375	0.6
749.21674	7.6
750.20630	0.8
752.27917	0.7
767.22852	10.5
768.23083	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92432	0.5
70.04882	1.2
70.05211	0.5
81.07050	0.7
88.63673	0.5
91.05502	0.7
91.54378	0.5
137.06009	1.0
164.07051	2.6
184.09837	0.5
184.28682	0.6
185.04242	1.2
187.03644	0.6
201.05234	1.1
204.03853	0.7
216.49988	0.5
274.55496	0.5
296.73785	0.5
309.09406	0.8
337.09048	2.0
364.12833	0.6
395.11441	1.1
409.12717	1.5
419.13187	3.3
529.17114	0.7
543.18353	1.7
553.16858	2.0
557.16339	3.2
571.17908	4.2
572.18604	11.3
573.19531	3.8
685.45782	0.6
737.24561	0.9
767.25177	100.0
768.25372	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	767.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58350	0.3
73.77611	0.2
81.53281	0.2
89.23720	0.2
94.00706	0.2
127.02870	0.2
185.04214	2.6
217.04849	0.3
232.07077	9.5
233.07861	4.7
250.08209	0.2
293.33582	0.2
323.47125	0.3
364.11328	1.3
365.12234	0.3
379.28452	0.2
395.13138	100.0
396.13477	3.5
793.46179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80978	1.2
69.81302	0.9
82.52377	0.5
85.64600	0.6
94.54676	0.7
175.03633	0.8
185.04329	0.9
215.41322	0.6
316.76154	0.6
337.09131	1.3
395.11069	1.2
406.36969	0.7
410.13443	2.3
419.13171	1.6
543.18750	1.4
553.16724	1.9
557.16687	2.5
571.17963	3.2
572.18726	1.8
607.21478	1.3
643.28333	0.7
769.26740	100.0
770.27087	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49203	0.2
56.90574	0.3
69.22954	1.6
81.43222	0.3
82.29189	0.3
88.08199	0.3
89.23466	0.3
93.15729	0.3
95.98921	0.3
173.02184	0.4
175.03688	0.5
204.03958	0.6
259.13702	0.3
309.09811	0.3
337.09018	0.8
393.13406	0.4
395.10977	0.8
409.12726	0.5
410.13422	1.6
419.13483	0.6
529.17053	0.4
531.28772	0.4
543.18512	1.3
553.16888	0.9
554.17590	0.4
557.16302	2.0
571.17688	2.3
572.18329	1.8
573.19733	0.4
607.21436	0.6
769.26715	100.0
770.26953	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	1.0
57.53352	0.8
69.32690	3.6
69.33038	1.1
70.06593	19.5
72.08146	3.1
81.04564	1.2
83.06113	5.7
84.91921	0.8
92.34150	0.7
93.04557	3.2
95.06093	4.1
98.22654	1.6
104.21470	0.8
110.07165	100.0
111.07445	0.8
115.08713	1.2
120.08109	18.9
125.10763	1.3
136.08716	3.0
138.06659	3.9
141.10222	3.8
148.09877	0.9
151.08749	0.8
153.10229	1.0
162.76950	1.0
164.08211	1.8
164.11852	7.2
166.06151	1.5
169.09746	3.5
172.11252	1.4
181.10841	4.0
186.12460	1.1
191.09317	3.8
191.11836	2.3
192.07755	3.3
192.11394	1.0
201.10257	0.9
209.10387	6.9
209.13947	7.7
212.11800	6.5
212.13432	0.7
217.13405	1.7
219.08797	3.2
219.11189	1.7
219.15005	2.5
237.09840	2.1
237.13521	3.5
243.14975	1.0
245.12749	2.2
247.14450	1.7
262.16718	1.1
265.13040	1.6
278.16336	2.1
283.15579	2.0
288.15128	0.9
290.16003	0.9
306.15613	9.6
308.17343	1.6
316.16446	0.9
336.16724	1.6
366.19312	3.2
377.23206	1.7
405.22366	4.4
472.94119	0.8
552.29382	3.0
574.31891	0.9
602.30859	1.9
623.33118	12.6
643.33197	1.0
671.33051	3.6
742.40112	7.8
770.39728	33.7
771.39856	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	770.5775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05264	0.2
55.05512	3.6
56.05025	0.7
57.03437	1.4
57.07072	2.2
58.06600	1.0
59.05266	0.2
60.04520	0.3
67.05504	3.6
69.07064	4.4
69.99575	0.4
70.06232	0.3
70.06591	3.8
71.04985	1.3
71.08627	1.0
74.06068	0.3
74.66878	0.2
75.91432	0.1
79.05495	0.5
81.07056	6.2
83.08618	3.4
84.08134	1.2
85.06526	0.6
85.10180	0.4
88.07604	0.2
92.21111	0.2
93.07022	0.3
95.08604	5.1
95.09210	0.3
97.10174	1.2
98.09657	0.3
102.09189	0.5
107.08620	0.2
109.10158	3.3
111.11714	0.3
121.10201	0.2
123.11678	0.9
137.13239	0.2
163.22604	0.2
179.75832	0.2
184.07292	0.4
198.22203	0.4
204.10454	0.2
238.25285	10.1
239.25645	0.2
256.26340	100.0
257.26654	2.3
641.67548	0.2
744.37805	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	770.578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05256	0.3
55.05510	3.8
56.05035	0.7
57.03431	1.5
57.07077	1.9
58.06600	1.1
67.05505	3.7
68.53726	0.2
69.07066	5.0
70.06232	0.3
70.06593	3.8
71.04990	1.3
71.08630	1.1
71.46535	0.2
75.27563	0.2
79.05490	0.5
79.99923	0.1
81.07056	6.3
83.08622	4.2
84.08154	1.1
85.06537	0.6
85.10173	0.4
86.09708	0.6
86.98311	0.2
88.07626	0.4
93.07039	0.3
95.08020	0.4
95.08607	5.6
97.10169	1.7
98.09724	0.3
102.09148	0.4
104.10744	0.2
109.10165	3.3
110.14616	0.2
111.11699	0.4
116.10693	0.2
123.11692	0.6
124.99953	0.3
131.33739	0.2
184.07324	1.3
191.72452	0.2
198.22131	0.3
238.25294	11.6
239.25667	0.3
256.26346	100.0
257.26654	3.1
261.22095	0.5
297.28961	0.3
297.86124	0.2
353.26675	0.2
412.15646	0.2
456.45413	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	771.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.6
55.05515	12.5
57.03445	4.8
57.07071	1.8
59.56279	0.7
61.02930	15.3
65.03941	1.3
67.05505	22.8
69.03436	7.8
69.07068	10.5
71.01345	0.7
71.04990	2.9
71.08635	1.0
71.49335	0.7
73.02921	8.5
79.05496	15.8
81.03410	4.1
81.07057	22.9
83.04981	1.2
83.08630	6.3
83.97014	0.8
85.02907	14.6
85.06535	1.6
86.09706	2.3
88.62485	0.6
91.03964	6.5
91.05484	14.3
93.06452	1.0
93.07047	15.7
95.04955	3.9
95.08612	19.4
97.02895	12.1
97.06544	2.2
97.10159	3.3
98.23444	1.5
99.04453	1.9
101.02393	2.4
105.04517	0.8
105.07026	14.8
107.08588	11.5
109.02908	1.1
109.06573	1.6
109.10175	7.2
111.08102	1.1
113.60658	0.7
115.03956	0.9
115.05447	1.4
117.07021	9.4
119.08588	14.1
121.10152	8.7
123.08074	1.2
123.11749	1.6
125.00011	2.2
125.09701	1.4
127.03934	2.5
128.06242	3.2
129.05537	0.8
129.07018	8.1
131.08572	13.6
133.10132	9.1
135.11691	5.7
137.13223	0.9
139.11191	0.9
141.07001	4.2
142.07800	1.9
143.08572	11.9
145.04964	0.7
145.06490	0.7
145.10123	13.0
147.11702	5.0
149.09663	0.7
149.13281	2.3
153.07001	1.1
154.07753	1.3
155.08551	10.9
156.09343	1.0
157.10141	11.7
159.11691	7.7
160.12564	0.9
161.13293	3.2
163.14804	1.1
165.07080	1.0
167.08562	4.9
168.09372	1.7
169.10141	11.3
170.10832	0.7
171.11668	9.7
173.13266	5.9
175.14856	2.0
177.16377	0.7
179.08673	1.6
180.09393	1.0
181.10101	7.8
182.10890	1.4
183.11696	10.7
184.07362	6.0
185.13248	8.2
187.14825	3.0
189.16402	0.9
193.10156	3.0
195.11671	6.7
196.12544	1.0
197.13237	10.2
197.27821	0.8
199.14827	6.6
201.16483	1.4
207.11668	3.3
209.13287	7.4
211.14821	5.5
213.16428	3.9
219.11760	1.0
221.13226	3.0
223.14778	4.4
225.16400	4.1
227.18010	2.4
233.13361	0.9
235.14793	1.9
237.16423	3.6
239.17903	2.5
241.19664	1.2
249.16321	1.5
250.17154	0.9
251.18002	2.2
253.19582	1.4
257.19171	0.9
263.17969	0.7
265.19452	1.8
269.18967	1.2
271.20767	1.0
277.19571	1.2
283.20410	1.4
285.22336	0.8
291.20932	0.7
295.20428	0.8
301.21680	0.8
309.21960	1.2
311.20258	0.9
321.22144	1.0
323.23782	1.0
335.26025	1.0
337.25247	1.1
339.23209	0.8
341.24811	0.8
351.26682	0.9
361.25195	0.8
365.28574	1.3
407.28702	0.9
421.31042	0.8
447.32300	1.8
459.30817	0.8
465.34036	0.9
501.35352	1.1
515.36957	0.9
517.40363	5.5
525.35382	0.8
535.41138	3.0
539.37292	1.3
541.38873	0.9
553.42065	1.0
573.42743	0.8
591.43976	6.4
607.43109	2.0
609.45154	100.0
610.45355	5.9
611.46094	0.9
621.44952	1.1
651.46735	0.7
735.47815	1.4
753.48877	2.4
771.50879	22.1
772.51410	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2134
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.20461	0.3
56.70237	0.3
57.03425	1.5
61.02929	0.5
69.03425	1.0
69.22469	0.3
71.04635	0.7
71.04995	8.0
72.99153	0.3
73.02914	0.4
75.04465	1.0
82.49051	0.4
85.02901	12.3
86.09703	0.4
97.02903	1.0
109.02861	0.6
111.00756	0.8
121.02821	0.5
127.03905	1.0
129.05461	2.5
136.06181	0.5
137.02362	2.0
145.04941	0.5
147.06461	0.4
153.01849	1.5
163.03900	1.4
165.01816	1.3
177.05440	0.5
183.02904	0.7
201.05478	1.0
229.04974	3.0
257.04425	2.0
274.04761	0.4
285.04041	0.8
303.04977	100.0
304.05283	2.3
345.05966	0.4
364.13614	0.4
465.10303	30.9
466.10709	0.7
627.15424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.0
57.03440	9.1
59.37132	1.8
61.02928	5.5
62.65537	2.3
65.03928	2.7
67.05510	54.3
69.03454	4.8
69.07067	20.7
73.02906	2.4
79.05492	51.0
81.03417	4.0
81.07053	61.8
81.90018	2.2
83.04976	2.9
83.08597	13.5
85.02913	7.3
85.06538	3.4
89.32349	2.2
91.03967	5.0
91.05479	43.4
93.07048	51.4
95.04984	6.0
95.08612	48.5
97.02917	7.9
97.06556	5.1
103.05492	2.4
105.04520	2.1
105.07025	47.0
107.08598	31.6
108.27839	2.2
109.10176	23.8
111.08089	3.7
117.07024	15.5
119.08586	42.8
121.10145	30.1
123.08039	4.7
123.11710	8.0
129.07025	11.2
131.08565	31.2
133.10136	35.0
135.11691	21.5
141.07100	2.3
142.07782	2.3
143.08566	10.8
144.18489	2.3
145.10146	24.3
147.11674	30.2
149.09619	4.3
149.13290	14.6
155.08582	3.3
157.10115	14.6
159.11694	27.2
161.09720	2.1
161.13286	26.5
163.14839	9.6
169.10114	5.4
171.11681	15.5
173.13278	18.0
175.14798	10.4
177.12816	2.1
183.11671	3.3
185.13217	11.9
187.14914	6.7
197.13312	4.7
199.14890	8.8
201.12906	2.8
201.16496	3.9
209.13481	3.2
213.14728	2.2
215.18079	3.0
217.15923	2.8
231.21179	3.9
239.17953	5.0
241.19548	21.8
243.21082	4.2
257.19016	9.5
259.20575	58.1
261.22128	10.5
271.20438	2.7
273.22272	2.5
285.22034	4.0
301.21710	5.2
315.23331	5.5
331.22687	3.7
333.24213	49.1
335.25797	95.5
337.27429	4.2
339.26764	2.7
349.21268	2.9
367.22900	4.5
385.23746	4.8
470.10812	2.5
481.86188	2.5
501.41379	2.6
519.41852	5.6
527.38141	2.7
593.45612	11.9
601.43933	3.0
609.44794	5.8
611.46674	100.0
612.47021	6.6
623.46869	3.6
635.46704	4.4
701.47302	5.8
719.48285	3.9
735.23755	2.6
737.49548	4.1
755.50024	5.4
773.51587	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	775.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.3
55.88978	0.9
65.03952	3.0
67.05500	1.1
69.03436	1.9
69.63554	2.9
69.63889	0.8
71.01367	2.4
79.05499	2.4
81.03421	3.2
85.02910	3.7
91.05495	3.6
93.03394	1.9
94.04195	1.3
95.04989	5.2
103.05479	17.7
105.03413	2.4
105.07059	2.0
106.04261	1.1
107.04963	5.3
108.02122	1.9
109.06535	3.2
110.03651	1.7
111.04489	1.6
115.05470	3.5
117.07036	2.8
118.04174	4.2
119.04973	2.7
119.13129	0.9
121.02924	1.1
121.06554	1.2
122.03677	3.7
123.04459	3.5
125.06010	2.4
130.04208	0.9
131.04944	25.0
132.05713	1.3
133.02875	3.1
133.06503	5.2
135.07996	1.1
137.05981	55.4
138.03096	1.4
138.06366	1.1
140.04742	1.2
143.04929	3.0
143.29326	0.9
143.97044	1.0
144.05821	1.2
145.06506	4.1
147.04460	1.5
147.08003	1.1
148.05222	9.3
149.06000	3.6
151.03917	73.5
151.05000	6.5
151.07567	2.0
152.04305	1.2
153.05478	8.1
155.07074	2.6
159.04475	1.5
160.05269	1.5
161.06024	4.1
163.03941	1.4
163.07552	21.0
165.05496	8.6
167.07066	11.8
171.06587	2.5
173.05984	3.5
175.07530	6.9
176.04741	2.5
177.05501	2.6
179.07077	2.3
180.07880	1.3
181.04964	58.5
182.05324	1.1
187.07565	3.9
189.05562	1.2
189.09096	1.7
191.07036	100.0
192.07497	3.1
193.04921	2.8
193.08591	1.4
195.06525	1.2
197.08080	1.1
201.05501	1.3
203.07068	3.8
205.06685	1.7
205.08632	5.5
207.06456	4.6
207.10214	1.9
208.07339	4.0
209.08153	4.0
211.07646	1.1
217.08653	1.8
219.10172	2.0
221.08105	1.2
223.71405	1.0
225.07571	20.6
226.08301	2.3
233.08110	3.6
234.06862	1.4
235.07582	2.1
235.09734	3.6
237.09094	1.1
241.08508	1.2
249.09048	1.4
263.06796	0.8
263.09158	19.6
265.08673	1.5
279.10074	1.1
283.09720	1.0
293.08139	2.0
295.09811	2.1
299.12729	1.0
307.09674	1.2
309.11108	1.9
323.09344	1.0
327.12341	2.8
329.10303	1.4
329.13818	1.6
337.10675	2.0
339.12601	2.7
341.13791	1.4
351.12140	2.3
355.11838	6.1
357.13300	4.5
369.13382	6.9
387.14392	50.8
388.14502	1.6
549.19305	2.3
640.66077	1.1
725.77722	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	22.8
67.05518	1.8
71.46363	1.8
78.92801	1.3
81.07061	2.2
84.96044	5.4
86.09712	1.2
95.08572	1.5
98.97581	71.6
110.97567	20.3
112.99133	20.9
116.98625	26.3
116.99400	2.0
119.08598	1.6
124.99155	3.4
128.98604	18.8
131.00171	34.0
133.10092	1.4
134.99660	4.2
140.00174	3.5
140.98587	6.4
143.00174	14.3
146.99686	7.1
149.01225	29.0
152.98596	2.7
154.01830	2.2
154.37701	1.1
155.00172	2.9
157.01772	2.1
158.99646	35.6
161.01253	9.2
162.99156	1.9
167.02284	5.6
170.99646	43.1
172.02849	1.5
173.01204	8.9
177.00716	29.3
179.02200	1.3
182.99661	2.8
184.07358	3.4
185.01216	8.7
189.00714	30.2
191.02261	8.7
194.99712	2.2
195.01747	2.2
197.01326	1.7
199.02753	7.9
200.02338	2.1
201.00735	10.1
203.02328	11.2
207.01830	2.8
209.01270	2.6
212.02347	3.7
213.00725	4.5
214.04002	2.1
215.02299	2.7
217.03828	6.6
219.01770	22.9
227.02301	2.0
231.01817	2.9
233.03331	4.1
237.02771	8.9
242.03543	2.6
261.02823	22.6
275.04333	9.7
279.03867	19.6
291.03882	5.8
293.05411	34.8
297.05054	6.2
302.05530	3.0
309.04877	4.4
311.06458	13.0
315.03561	2.2
315.17926	1.3
316.07104	3.0
317.17859	26.1
321.04916	100.0
322.05191	1.5
334.08011	3.3
335.19034	7.5
339.06229	7.8
358.20367	2.1
362.07486	6.7
381.07056	7.2
399.08148	2.5
434.45694	1.3
437.09641	25.6
453.09207	2.5
455.10706	44.9
455.16928	2.6
456.11426	1.5
473.11758	1.4
477.09314	1.8
478.39206	1.5
539.25446	6.9
553.26917	9.7
699.34723	2.8
715.32068	58.3
716.32410	5.8
775.37067	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	775.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	24.0
57.91867	1.6
61.02933	1.6
71.47050	1.8
79.05499	1.9
81.07063	2.2
84.96027	3.9
86.09692	5.8
89.16920	1.5
90.72222	1.5
91.05481	1.5
93.07007	2.0
95.08481	1.9
98.97581	77.7
105.07059	2.0
110.97565	20.2
112.99113	20.0
116.98624	25.1
119.08518	2.7
121.10141	1.8
124.99101	5.9
124.99976	3.8
128.98602	19.6
131.00162	39.0
131.08569	1.9
134.99649	5.5
140.00191	4.0
140.98595	6.5
143.00168	15.7
146.68497	1.6
146.99655	6.9
149.01227	32.2
152.98582	4.0
155.00180	2.2
158.99652	35.7
161.01210	10.0
167.02258	6.0
169.84761	1.6
170.99641	44.8
172.02812	2.4
173.01215	11.8
175.02832	1.8
177.00708	29.5
182.99663	4.7
184.07338	13.2
185.01248	9.7
185.07672	2.4
189.00681	35.1
191.02309	8.1
194.99638	2.9
199.02771	5.5
200.02304	5.1
201.00705	12.4
203.02316	8.1
209.01242	2.5
212.02321	4.8
213.00731	4.3
215.02272	3.2
217.03850	6.9
219.01764	23.6
222.00284	1.7
227.02266	3.3
231.01721	3.6
233.03311	3.2
237.02783	10.5
242.03270	2.4
261.02820	29.2
275.04471	9.5
279.03851	28.3
291.03949	4.1
293.05408	37.3
297.04868	8.1
302.05612	3.4
309.04810	4.6
311.06516	9.9
315.03397	3.9
317.17798	28.4
321.04916	100.0
335.18799	5.4
339.05972	5.5
358.20465	1.8
362.07431	7.9
381.06992	7.2
437.09641	24.6
455.10754	42.2
477.09180	3.0
539.25665	9.7
553.26959	10.8
668.48364	2.2
699.35370	4.0
715.32092	73.6
716.31445	4.9
720.28595	1.8
737.28925	2.4
775.40808	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	775.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
56.96564	26.1
67.05494	3.5
69.03411	3.6
75.38863	1.9
78.32813	1.7
79.05488	3.9
81.07040	2.5
84.96011	3.9
91.05478	4.4
93.07035	4.2
95.04967	2.7
95.08589	2.1
96.08108	3.2
98.97584	67.0
107.08586	1.9
107.14664	1.8
109.10137	1.7
110.97554	19.7
112.99129	18.6
116.98618	21.4
119.08579	1.8
124.99157	5.7
128.98613	21.5
131.00179	29.3
131.16431	1.8
134.99690	5.6
136.11295	2.4
138.12781	7.8
140.00137	3.6
140.98589	4.8
143.00159	15.9
146.99643	6.5
149.01227	29.4
152.00208	2.1
152.98563	2.5
155.03360	2.2
158.01320	2.3
158.99657	32.9
161.01228	7.5
161.09541	1.8
162.99255	1.9
167.02229	4.3
170.99648	41.5
173.01256	9.5
175.02876	2.6
176.14413	2.3
177.00723	30.9
182.99690	3.4
184.07286	4.1
185.01225	7.2
189.00722	32.5
191.02307	8.2
194.99690	4.1
199.02766	7.8
200.02344	5.2
201.00641	11.6
203.02237	8.7
204.13866	11.7
207.01840	2.4
209.01201	2.5
212.02333	4.0
213.00713	6.7
215.02243	2.3
217.03877	6.4
219.01820	16.6
227.02408	2.4
231.01817	3.7
232.67137	2.0
233.03360	5.2
237.02788	8.6
242.03513	3.6
243.01974	1.7
260.04727	2.3
260.16586	2.2
261.02844	30.0
273.11136	3.6
275.04309	10.8
275.12732	6.3
279.03909	25.5
291.03851	5.4
293.05432	41.0
297.04907	7.2
300.02295	1.6
302.05347	4.1
303.24805	1.9
305.05157	2.0
309.04871	6.1
311.06427	11.5
315.04077	2.6
316.07025	3.7
317.17828	27.5
321.04919	100.0
334.08249	3.2
334.81400	1.9
335.18839	6.2
339.05878	5.3
359.18835	2.2
360.21295	2.0
362.07477	7.3
381.06943	7.1
388.21149	72.6
389.21457	3.5
402.02908	2.1
437.09506	24.0
453.09534	2.0
455.10818	51.3
539.24805	4.2
553.26904	11.9
699.35449	5.7
715.32214	58.2
716.32214	4.6
775.27637	3.2
775.41400	49.2
776.41260	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	775.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.9
57.03453	1.9
61.02933	5.5
63.18252	0.7
67.05513	4.2
69.03446	2.9
69.07072	1.0
69.24879	0.8
69.62184	1.7
69.62564	1.6
73.02929	5.1
77.99220	0.8
79.05515	2.0
81.03437	1.7
81.07050	5.3
85.02908	5.9
87.04475	0.8
91.03979	3.3
91.05444	1.6
93.07070	3.2
93.32122	0.8
93.32861	0.7
95.04992	1.1
95.08631	2.8
97.02893	5.0
98.23474	1.6
99.04442	1.2
99.09197	0.9
101.02405	2.4
105.07063	1.6
107.08611	2.2
109.02853	1.2
109.10175	1.7
114.30277	0.9
119.08662	0.8
121.10161	1.7
125.00050	1.1
127.03969	1.7
133.10158	2.5
151.11230	0.8
173.02690	0.9
179.10753	1.2
184.07408	2.1
185.04228	1.2
210.41481	0.7
238.19984	0.7
243.08504	2.8
261.64673	0.8
279.12097	0.9
279.48654	0.8
394.18344	0.8
450.15924	1.0
497.20190	3.5
519.29425	8.7
589.85974	0.8
643.63647	0.8
775.42432	100.0
776.42780	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	777.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	20.9
65.45117	1.4
69.31635	7.1
84.08163	1.3
84.96025	3.2
86.09730	2.1
98.23479	1.9
98.97583	62.7
106.45991	1.7
109.38201	1.2
110.97547	17.8
112.99139	18.3
116.98608	23.6
121.15833	1.4
124.99149	3.5
124.99960	1.9
128.98613	18.1
130.33371	1.3
130.99269	1.3
131.00162	28.7
134.99666	5.1
140.00218	4.7
140.98560	4.2
143.00168	11.5
146.99643	7.5
147.90895	1.3
149.01222	27.3
152.98578	2.8
154.01738	1.6
155.00157	2.4
158.99655	34.9
161.01244	6.8
167.02303	7.2
170.99657	41.2
172.02837	1.9
173.01218	10.4
177.00716	32.2
182.99625	2.7
184.07365	7.1
185.01250	8.6
189.00706	34.1
191.02240	8.5
194.99649	4.3
195.01642	2.6
199.02779	8.0
200.02255	2.1
201.00706	10.3
203.02292	11.3
207.01732	3.8
209.01149	2.6
212.02275	6.3
213.00735	6.3
215.02315	4.1
217.03856	6.3
219.01749	22.0
227.02303	5.4
231.01813	3.9
233.03290	5.2
237.02849	8.8
242.03342	2.1
261.02838	24.4
275.04370	7.2
279.03867	25.0
291.03836	5.9
293.05417	37.8
297.04895	9.4
302.05368	4.6
309.04987	5.5
311.06506	13.8
316.07004	2.2
319.19403	16.8
321.04919	100.0
322.05283	2.8
332.06595	2.3
334.08105	4.5
337.20465	16.8
339.05954	6.2
341.02859	1.4
360.22000	2.3
362.07550	6.6
381.06943	7.7
399.08063	2.4
437.09695	28.8
455.10733	47.9
456.11356	2.6
478.53870	1.5
541.26941	7.5
555.28687	8.8
573.29510	1.9
717.33618	61.1
718.33423	4.1
777.39111	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	778.5384
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
56.05034	0.6
60.08169	4.8
60.17346	0.5
67.05504	0.5
69.45566	2.4
71.07368	4.5
86.09709	30.0
98.98487	3.9
102.94106	0.5
104.10749	1.7
125.00006	21.5
132.29709	0.5
184.07344	100.0
185.07753	0.9
235.17148	0.5
240.16304	0.6
254.60861	0.6
283.07843	0.7
626.59949	0.7
778.53754	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	780.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	1.1
56.74025	0.2
57.00196	0.2
58.06600	0.4
60.08168	7.7
64.54120	0.2
67.05511	0.3
69.82692	0.3
71.07375	4.2
81.07085	0.5
85.13701	0.3
86.09711	37.8
87.10052	0.4
98.98458	3.8
104.10767	2.2
105.52754	0.2
121.60326	0.2
125.00008	25.8
146.98175	0.7
184.07347	100.0
185.07661	0.8
267.61383	0.3
270.88330	0.2
388.03622	0.3
597.48602	0.3
780.55524	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	780.5535
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	1.6
58.06371	0.2
58.06618	0.5
59.07381	0.2
60.08165	13.9
67.05503	0.3
68.88288	0.2
69.68933	0.6
71.07374	7.2
81.07059	0.5
86.09708	61.8
87.10025	0.3
93.07079	0.2
95.08601	0.4
98.98465	6.8
104.10741	3.8
107.55969	0.2
125.00004	44.0
143.01060	0.6
166.02663	0.4
184.07344	100.0
185.07674	0.8
265.67764	0.2
334.70776	0.2
441.95633	0.2
703.13202	0.2
780.55420	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5692
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.5
60.08167	4.6
67.05509	0.9
70.53190	0.8
71.07381	2.7
81.07061	0.9
86.09706	23.3
93.07059	0.7
95.08609	0.5
98.98458	2.4
104.10763	1.5
123.08035	0.5
125.00002	16.0
180.40158	0.5
184.07343	100.0
185.07664	2.1
186.07727	0.5
251.16463	1.8
258.88516	0.5
264.46759	0.4
282.52762	0.6
325.20059	0.8
335.25815	1.2
372.03659	0.4
585.41180	1.2
782.57318	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	784.5332
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	0.7
69.07063	0.9
69.75831	0.7
71.08614	0.8
74.79043	0.3
81.07050	0.6
83.08687	0.4
83.89174	0.3
86.09707	100.0
87.10035	0.7
91.05511	0.6
93.07056	0.6
95.08607	0.6
97.06515	0.3
98.09711	1.2
98.22742	0.6
102.18299	0.3
103.05437	0.7
105.07017	1.5
105.77373	0.3
112.11237	6.9
114.09235	0.3
119.08591	0.3
120.08105	40.6
121.08427	0.6
125.00079	0.6
132.08151	0.5
146.09642	1.9
154.15907	18.6
157.13368	11.2
166.15915	0.4
167.11888	0.4
168.41565	0.3
173.07825	0.3
184.07356	2.6
185.07657	0.3
185.12856	14.4
188.14346	6.9
191.11800	0.3
199.18053	15.2
209.16496	0.4
219.11333	1.2
221.13458	0.3
225.19617	6.9
227.17542	13.1
228.17780	0.4
233.16489	14.8
234.16801	0.4
235.18074	0.7
237.16048	0.6
243.14836	0.4
253.19107	6.7
259.18152	2.4
261.15967	13.4
263.17444	0.3
267.24307	7.3
267.26981	0.5
280.20239	0.5
287.17557	3.0
295.23776	4.3
298.21252	7.8
298.24524	0.5
301.22720	6.8
311.21143	0.6
314.18585	0.5
322.24625	0.5
326.21011	0.3
329.22232	3.7
332.19690	5.5
340.25922	3.1
366.27548	2.4
374.24319	4.0
383.29965	1.5
400.26025	3.4
408.32169	1.0
411.29700	3.8
417.28690	1.4
425.34674	0.6
442.30609	2.0
445.28149	3.7
452.90375	0.3
453.34396	0.7
459.33432	1.4
479.35938	1.6
487.32910	2.2
496.38589	0.9
513.34320	3.0
524.38068	3.7
525.38477	0.5
530.37061	2.2
555.39020	1.2
558.36517	9.0
559.36926	0.4
568.35168	0.3
572.41522	0.7
586.36884	0.3
592.44318	1.2
600.40936	1.8
609.46936	0.4
626.42834	4.9
637.46484	2.5
643.45367	5.3
653.43933	0.8
671.44879	17.5
672.44965	1.1
699.44598	0.4
711.51508	0.4
713.49670	0.7
739.51263	3.3
756.53729	8.3
757.53833	0.6
762.21692	0.4
766.52338	2.4
784.53278	11.8
785.53662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65479	2.1
75.54884	1.9
86.46844	2.3
121.99863	1.9
147.96265	2.5
277.58752	2.1
363.38272	2.3
440.84500	2.6
779.13776	2.4
785.24133	100.0
786.24298	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	786.4278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.5
55.05511	19.3
57.03432	8.2
59.04991	2.7
61.02921	2.8
65.03930	1.7
67.05505	36.1
69.03438	3.0
69.07072	11.6
69.98827	2.8
71.04990	2.5
73.02929	2.7
79.05498	31.8
81.03408	14.2
81.07056	50.8
83.04959	5.7
83.08631	11.2
85.02893	5.1
85.06522	2.7
86.09710	1.5
90.16907	1.1
91.03956	2.3
91.04941	2.4
91.05481	40.8
91.06054	2.0
93.07048	27.6
95.04974	17.6
95.08619	15.0
97.02876	5.4
97.06519	5.5
97.10196	6.2
99.00814	13.8
99.04504	1.7
99.08069	1.2
103.05461	2.0
105.04467	4.0
105.07030	32.1
107.04960	18.4
107.08594	16.5
109.02886	10.0
109.06515	11.7
109.10154	9.8
111.04450	1.9
111.08064	2.9
115.03920	2.7
115.05437	1.4
117.07009	11.0
119.04923	1.7
119.08585	28.0
121.02918	1.7
121.06506	11.8
121.10132	7.5
123.04440	1.9
123.08051	5.5
123.11725	2.4
125.09623	4.0
127.03897	3.2
128.06218	4.4
129.07008	7.7
131.08571	11.9
133.06496	6.1
133.10127	37.9
135.08052	7.3
135.11671	3.9
137.09590	2.6
139.07521	3.8
141.06958	1.6
143.08571	13.6
145.06473	5.1
145.10136	11.5
146.07297	1.9
147.08063	13.0
147.11693	6.9
149.09602	4.8
151.11188	9.4
155.08586	2.5
157.10147	8.3
159.08037	6.5
159.11646	4.2
161.09624	33.8
161.10971	1.8
163.11154	7.8
165.09128	2.3
171.08096	3.5
171.11708	3.7
173.09604	5.0
175.11221	5.8
177.12700	2.7
179.10663	7.8
184.07335	2.2
185.09541	1.5
185.13254	2.3
187.11166	2.2
189.09117	5.7
189.12796	2.5
191.10539	1.4
193.12137	2.6
195.11754	2.1
197.11700	4.1
205.78468	1.4
207.10117	2.0
207.13718	1.5
217.16019	1.2
225.11197	7.5
227.12773	4.8
245.19046	5.6
255.17473	4.6
263.20184	2.3
273.18491	78.3
274.18759	2.5
281.13693	1.8
281.17389	3.3
289.17822	1.8
291.19568	11.0
299.14890	58.9
329.21100	2.4
347.22174	35.4
365.23264	12.4
497.29398	1.7
543.32666	3.7
553.31580	5.3
561.34039	2.3
571.32507	26.0
572.33417	2.0
589.33691	100.0
590.33887	5.6
607.34454	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	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05515	17.0
57.03443	14.6
57.07075	2.1
59.04993	3.8
60.16085	1.0
61.02912	3.3
65.03932	4.0
67.05508	100.0
69.03434	3.1
69.07069	13.1
71.04986	4.6
73.02909	1.5
79.05044	2.2
79.05497	38.9
80.42802	1.0
81.03428	9.1
81.07060	56.5
83.04979	2.9
83.08624	9.1
85.02911	7.6
85.06557	5.3
87.04456	1.4
91.04936	2.2
91.05482	29.0
93.07045	40.7
95.04977	9.9
95.08611	34.9
96.46023	1.2
97.02893	4.1
97.06518	3.0
97.10158	4.2
99.08095	2.1
103.05529	1.1
105.04524	2.6
105.07040	17.9
107.04951	6.6
107.07922	2.0
107.08594	22.6
109.06535	6.5
109.10162	55.6
111.04442	1.8
111.08098	3.5
113.06081	1.3
117.07026	9.8
119.08582	17.7
121.06514	6.6
121.10144	15.9
123.04404	1.1
123.08057	3.1
123.11683	3.4
125.09632	3.5
128.06230	1.5
129.07063	2.9
131.08585	15.2
133.06520	1.2
133.10120	9.5
135.08022	1.7
135.11696	9.8
137.09595	4.3
137.13283	1.4
141.07019	2.3
143.08588	3.0
145.06439	1.6
145.10130	10.9
147.11694	6.1
149.09648	2.5
149.13277	5.4
155.10661	3.4
157.10056	1.6
159.11656	8.2
161.09636	2.0
161.13281	3.4
163.11206	1.9
163.14766	2.6
169.10127	2.7
171.11697	3.6
173.11740	15.3
173.13278	3.6
177.12744	2.2
177.16394	1.4
179.10699	1.3
184.07333	3.2
185.13248	1.8
187.11217	3.2
187.14841	3.0
203.14439	1.2
215.18036	1.2
219.17357	1.1
223.13239	9.0
227.12773	4.5
229.14348	68.2
237.14655	1.3
241.14571	1.3
243.21117	5.6
261.22125	17.6
273.18463	2.6
279.15991	3.5
281.17261	1.2
295.46869	1.1
297.16953	23.1
305.57748	1.2
317.24686	3.2
333.24164	2.0
335.25812	91.5
336.26144	3.7
349.23651	2.1
447.32288	2.7
465.33640	1.5
471.34814	1.7
489.35767	42.9
490.35907	2.9
507.36710	2.2
539.37122	4.2
557.38312	15.4
575.39349	2.7
607.43066	1.6
625.44153	1.4
688.29169	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4142
Annotation	Unknow
Peak:m/z	Relative Intensity
70.06596	9.1
72.08147	0.5
76.29273	0.2
86.09705	0.3
91.05471	0.9
98.05998	0.2
104.06272	0.2
105.07029	1.9
107.97858	0.2
116.07103	2.0
122.85079	0.2
130.06532	0.6
132.08096	0.6
133.08876	5.1
148.11209	100.0
149.11592	1.7
159.09187	1.3
167.07048	0.5
170.05992	0.7
181.04866	0.3
193.13344	0.2
205.04736	0.5
213.12346	6.9
245.09204	1.0
258.45490	0.2
262.15500	1.4
284.14313	0.4
290.15002	8.5
290.18265	0.4
351.74850	0.2
361.22424	0.4
389.21829	10.7
390.22119	0.4
399.20428	1.3
524.03876	0.3
531.30884	1.5
547.22070	0.4
547.30334	5.0
548.30341	0.5
558.26703	0.4
575.29742	16.2
576.30066	1.1
672.35193	1.5
787.26715	0.6
787.40845	0.8
787.53442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.2
55.05513	25.3
57.03223	2.0
57.03443	22.9
57.07084	3.5
59.04993	2.6
61.02916	6.9
62.47098	1.9
65.03946	6.3
67.05505	100.0
68.05835	4.6
69.03436	10.0
69.07062	21.4
71.01377	2.1
71.04990	7.2
71.46576	3.4
73.02910	2.7
79.05495	65.9
80.05811	4.7
81.03416	18.1
81.07059	81.7
82.07381	5.6
83.04983	5.8
83.08616	11.8
85.02911	12.5
85.06554	6.3
86.09702	9.6
91.03934	2.7
91.05477	55.4
93.07047	58.7
94.07392	5.4
95.04964	20.9
95.08608	50.0
96.08955	3.4
97.02914	11.9
97.06533	11.8
97.10164	5.2
98.98492	2.4
99.04437	4.8
99.08090	7.2
101.02367	2.2
105.04515	5.7
105.07030	47.0
107.04951	14.2
107.08591	31.9
108.08909	2.3
109.02873	2.7
109.06524	15.2
109.10159	37.9
110.10477	5.8
111.08063	2.9
113.05948	1.9
113.35407	2.0
115.05454	2.5
117.07016	21.0
119.08584	32.6
121.06506	7.0
121.10153	27.4
123.08082	4.5
123.11709	5.1
125.00025	5.9
125.09637	5.2
127.03913	4.4
128.06242	3.2
129.07013	9.7
131.08560	26.4
133.06453	4.5
133.10114	21.5
135.08054	10.0
135.11684	13.7
137.09650	4.5
137.13246	2.6
141.07007	4.2
143.08514	9.9
145.06424	3.9
145.10118	19.8
147.08058	6.9
147.11665	15.0
149.09621	6.7
149.13232	6.0
151.11140	3.1
155.08618	4.0
157.10152	7.0
159.08028	4.6
159.11693	14.0
161.09631	8.4
161.13283	4.8
163.11185	6.8
169.10056	3.8
171.07985	3.0
171.11694	7.8
173.09563	2.7
173.11746	6.5
173.13264	5.3
174.13693	2.4
175.11333	2.9
175.14841	2.9
177.12633	5.0
179.86662	1.9
183.11821	2.7
184.07355	23.1
184.78328	2.1
185.09613	2.3
185.13322	5.0
187.11096	3.4
189.12822	2.7
199.14885	3.7
201.16447	2.6
211.11456	2.5
219.17445	22.5
223.13173	4.0
229.14337	21.9
230.14703	8.4
241.19577	3.9
243.20921	3.2
245.19008	2.5
259.20575	5.1
261.22052	3.2
262.22427	3.6
273.18466	26.0
275.20029	14.0
277.21811	2.5
291.19577	7.3
297.16937	6.8
298.17194	3.4
313.43738	2.4
333.24152	11.8
335.25775	45.2
336.26163	19.6
347.22183	10.4
349.23688	6.4
357.20447	2.0
365.23285	5.3
410.72394	2.4
459.59595	2.2
489.35657	5.5
490.36090	12.8
513.80933	2.4
558.38580	6.3
607.43628	20.7
625.44769	21.4
719.19067	2.6
787.47534	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	788.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	17.4
55.05294	2.0
55.05514	24.5
57.03438	11.7
58.85323	1.6
59.04982	2.0
60.05000	1.8
61.02915	4.6
67.05505	70.8
69.03423	4.2
69.07066	19.0
69.64256	4.4
69.64655	3.9
71.04990	6.6
79.05492	70.1
81.03417	20.4
81.07058	80.9
83.04975	25.3
83.08616	10.2
85.02902	5.5
85.06526	5.3
91.05482	58.4
93.07044	57.0
95.01317	5.0
95.04966	38.9
95.08614	29.3
97.02908	3.0
97.06538	14.1
97.10165	9.0
99.04488	3.8
99.08068	1.8
103.05448	2.0
104.66353	1.9
105.04504	3.0
105.07032	30.8
107.04949	50.2
107.08590	33.8
109.06523	20.1
109.10153	17.4
111.04434	26.3
111.08064	12.7
115.05434	4.1
117.07023	35.0
119.08580	43.7
120.65349	1.7
121.06503	15.9
121.09267	2.2
121.10142	39.8
121.29626	1.7
123.04469	4.0
123.08072	8.6
125.05936	2.6
125.09621	5.9
128.06224	4.7
129.07027	13.9
130.07765	2.9
131.04907	4.1
131.08562	22.8
132.05646	1.8
133.06490	7.3
133.10126	14.7
135.08072	14.5
135.11678	34.2
137.09627	4.7
138.65436	1.6
142.07744	2.6
143.08553	10.3
145.06477	13.3
145.08986	2.5
145.10121	46.0
147.08031	22.0
147.11681	9.6
149.09637	15.2
153.12744	11.5
155.06001	2.6
155.08551	12.4
157.10158	11.9
159.08073	7.8
159.11703	6.6
161.09624	34.9
163.11180	47.4
166.46515	1.9
169.10083	3.4
171.11688	6.8
173.09612	28.8
173.13234	3.2
175.11209	5.8
177.12709	2.1
178.16327	1.8
181.10141	2.2
181.12221	14.0
183.11691	2.4
184.07297	1.9
185.09644	3.5
185.13255	4.9
187.11134	3.4
189.11150	3.1
189.12683	3.5
191.08995	2.4
191.10637	17.2
191.52617	1.7
193.12199	3.1
199.11269	4.7
209.11757	7.9
213.12732	2.2
227.12769	16.8
227.18001	2.7
245.19052	8.1
255.17430	7.4
265.14337	28.6
266.14658	2.7
271.17133	1.8
273.18481	94.6
274.18759	2.5
275.20129	3.9
283.15408	47.1
291.19534	22.8
299.14975	2.2
301.16449	39.8
329.21106	5.3
347.22177	34.4
349.23837	3.9
365.23309	9.7
453.30038	1.9
463.28317	2.8
471.30557	2.1
481.29388	2.3
527.33905	14.5
529.35345	3.9
537.32031	9.7
545.34558	5.8
555.24585	3.4
555.33179	50.5
573.25372	3.3
573.34277	66.6
574.34406	4.1
591.35242	100.0
592.35773	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	788.544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05028	0.9
57.07059	0.3
58.06602	0.5
59.27042	0.2
60.07866	0.4
60.08165	7.3
67.05497	0.3
71.07378	4.2
81.07071	0.3
86.09708	35.9
87.10062	0.3
98.23411	0.7
98.98476	3.2
104.10754	3.1
125.00005	21.6
134.20924	0.2
143.01027	0.3
184.07343	100.0
185.07726	1.0
469.98776	0.2
487.75708	0.2
730.49359	0.8
753.88391	0.3
770.52466	0.5
788.54321	3.3
789.54108	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.2084
Annotation	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
55.01844	0.2
57.03432	0.5
60.55157	0.1
61.02929	0.8
65.03904	0.1
68.99763	0.4
69.03429	1.9
71.04941	0.3
72.53371	0.1
73.02872	0.3
73.67880	0.1
74.31431	0.1
81.03417	0.8
85.02903	5.6
86.03166	0.1
87.04422	0.3
91.03943	0.2
93.03362	0.3
95.04934	0.1
97.02895	1.7
99.04420	0.2
105.92960	0.1
109.02888	0.9
111.00799	0.5
111.01399	0.1
121.02868	0.8
123.04363	0.2
127.03918	1.2
137.01280	0.1
137.02335	2.6
138.02850	0.1
145.02936	0.1
145.04953	1.3
149.02315	0.5
153.00644	0.2
153.01822	2.7
159.04471	0.1
161.05991	0.2
163.03899	0.7
165.01828	2.0
166.02518	0.2
173.06061	0.1
183.02916	0.8
183.04353	0.2
187.03951	0.2
195.02858	0.3
201.05435	1.2
205.04909	0.1
207.02882	0.1
215.03197	0.1
219.02856	0.2
219.06525	0.3
228.04176	0.2
229.02672	0.2
229.04953	3.2
239.03427	0.1
247.06001	0.7
257.04416	2.4
271.28094	0.1
274.04694	0.7
275.05435	0.3
285.03946	1.3
286.04538	0.2
303.04965	100.0
304.05310	2.3
334.26767	0.1
345.06058	0.4
369.06015	0.1
407.39499	0.1
447.09171	0.2
465.10281	25.6
466.10513	0.7
594.98602	0.1
627.15533	6.7
628.15350	0.2
771.96722	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	790.559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.9
58.06378	0.2
58.06619	0.5
60.08164	7.2
67.05469	0.3
70.06595	0.2
70.67345	0.2
70.67816	0.2
71.07374	3.7
79.05494	0.2
81.07079	0.2
86.09705	33.7
87.10014	0.4
90.46053	0.2
95.08611	0.2
98.98473	3.0
104.10752	3.0
125.00002	21.9
133.73059	0.2
166.02647	0.3
184.07338	100.0
185.07687	1.3
186.07745	0.3
238.69572	0.2
293.27747	0.2
353.88760	0.2
650.43597	0.5
690.46533	0.5
754.53076	0.2
772.54425	0.8
790.55927	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	791.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
55.05493	0.6
56.94929	0.6
57.03447	0.7
61.02923	2.4
67.05508	2.8
68.56293	0.6
69.03422	2.1
69.07077	1.4
69.90234	2.0
71.04998	0.9
73.02924	2.9
79.05501	3.0
81.03399	1.3
81.07069	3.9
85.02898	3.6
91.03962	1.7
91.05482	3.1
93.07053	1.8
95.04950	0.9
95.08588	1.5
97.02901	2.8
97.06596	0.7
98.23474	1.2
101.02377	1.7
105.07027	1.8
107.04981	1.1
107.08593	1.3
109.02890	1.6
109.10194	0.9
119.08591	1.4
121.06503	0.7
121.10164	0.9
123.08028	0.9
127.03914	1.5
131.08556	0.9
133.10150	2.8
143.08481	1.0
145.10176	1.0
151.11252	0.7
161.09619	1.1
163.11253	1.2
165.21909	0.6
177.64839	0.6
184.07533	0.8
185.04254	0.8
214.42816	0.8
243.08374	3.7
265.10306	1.0
331.18970	1.3
443.19183	0.8
459.35995	0.8
465.21207	1.3
483.18155	6.1
525.70471	0.8
549.26605	4.1
555.20056	1.5
629.34082	0.8
791.38434	100.0
792.38812	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	791.455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
55.05515	1.4
56.13610	0.4
57.03450	1.9
59.05008	1.1
59.08770	0.4
61.02925	6.0
67.05511	5.7
67.93277	0.4
69.03436	3.4
69.07085	1.5
71.04993	0.9
71.46750	0.5
73.02924	3.3
79.05495	3.8
81.03446	1.4
81.07056	5.0
83.04996	0.6
83.08647	0.7
85.02908	5.1
86.09693	1.0
86.13041	0.4
87.04476	1.1
88.17876	0.4
89.06031	0.5
91.03966	2.9
91.05477	2.9
93.07051	4.1
95.04986	0.9
95.08607	3.7
97.02891	4.1
97.06540	0.6
97.10191	0.4
99.04462	0.8
101.02376	2.0
105.07056	1.5
107.08587	2.2
109.02913	1.1
109.06488	0.5
109.10149	2.5
117.07046	1.1
119.08620	1.5
121.06523	0.6
121.10189	1.7
125.00069	0.6
125.09563	0.4
127.03960	1.1
131.08620	0.9
133.10178	1.0
135.11760	0.6
145.10184	0.5
147.11681	0.5
149.13268	0.4
159.11716	0.7
184.07437	1.8
243.08377	1.9
295.15173	5.5
335.25903	1.2
351.17926	0.4
513.23010	5.3
519.29187	5.6
693.32990	0.5
733.41339	0.7
785.44336	0.4
791.45520	100.0
792.45776	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	792.5618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05283	0.9
55.05511	7.9
57.03440	5.8
57.07070	1.6
61.02930	1.3
65.03923	0.7
67.05506	33.1
69.07071	9.3
71.01600	0.7
71.04989	1.3
72.40041	0.6
79.05492	18.9
81.07059	33.3
82.45634	0.6
83.04985	1.2
83.08625	5.8
85.02905	1.6
85.06538	1.0
91.03978	1.1
91.05481	12.5
93.07047	27.0
95.04967	3.0
95.08609	29.1
97.06498	1.4
97.10161	1.8
99.08101	1.0
105.04491	0.9
105.07035	9.9
107.08601	14.3
109.06537	0.8
109.10168	14.1
111.08096	1.3
117.07034	3.7
119.08582	9.8
121.10146	14.3
123.08022	0.7
123.11717	6.7
131.08560	7.8
133.10129	9.2
135.11700	9.7
137.09589	1.0
137.13260	1.7
143.08525	0.9
145.10126	7.2
145.73958	0.7
147.11685	8.4
149.13255	6.4
151.14786	0.8
157.10074	1.1
159.11688	6.3
161.13274	6.9
163.14851	3.9
169.10071	0.7
171.11655	1.1
173.13240	5.3
175.14786	3.4
177.16345	1.4
185.13277	1.9
187.14880	2.7
189.16431	1.4
197.13351	0.7
198.23024	0.7
199.14949	1.2
201.16431	1.4
203.17946	0.8
213.16203	0.7
215.17972	0.8
231.21060	0.8
233.22794	0.8
241.19568	3.4
243.21059	4.6
259.20557	6.0
261.22150	18.5
263.23645	1.4
273.22079	0.9
277.21313	0.8
292.57153	0.7
317.24731	3.6
318.27429	0.6
333.24213	6.7
335.25800	100.0
336.26196	4.3
337.27393	8.6
353.27487	0.7
429.39291	0.7
433.02737	0.7
521.43561	2.2
539.44147	0.9
595.47205	14.7
596.47815	1.7
613.38153	0.8
613.48303	12.9
614.48309	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.5614
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05514	22.5
55.58515	1.1
57.03188	1.4
57.03439	17.7
57.07070	3.5
61.02909	3.7
65.03933	3.0
67.05503	100.0
68.05835	1.3
69.07069	23.6
69.25866	6.1
71.04993	3.3
71.08659	1.2
76.93584	1.3
79.05489	54.7
79.05950	2.9
81.07055	99.3
82.07382	1.8
83.04984	2.4
83.05457	1.3
83.08612	13.5
85.02887	4.0
85.06564	1.4
90.17560	1.2
91.03965	2.0
91.05479	32.9
93.07043	72.9
93.51509	1.3
95.04977	8.6
95.08603	80.0
97.02892	3.0
97.06518	4.2
97.10152	4.6
98.23438	2.3
99.08123	2.3
105.04523	3.2
105.07029	32.2
107.08591	40.6
108.08937	1.2
108.20702	1.1
109.06497	2.4
109.10159	35.4
111.08090	1.4
117.07026	9.0
119.08572	21.2
121.10143	38.8
123.08041	2.4
123.11713	10.4
129.06982	1.8
131.08563	18.3
133.10121	18.8
135.11688	22.6
137.09644	1.7
137.13246	3.7
143.08524	2.5
145.10124	15.4
147.11690	13.5
149.13239	13.4
157.10141	3.5
159.11685	14.7
161.13251	9.6
163.14787	5.8
171.11667	2.8
173.13268	11.1
175.14856	3.6
177.16325	2.6
185.13252	3.8
186.33821	1.2
187.14818	4.0
189.16396	1.7
197.13460	1.4
199.14845	1.9
201.16353	2.7
213.16408	1.4
229.19547	2.0
231.13190	1.6
241.19592	3.0
243.21069	5.0
243.35921	1.5
245.22729	1.5
259.20514	6.3
261.22150	12.6
263.23679	2.2
300.83295	1.3
317.24725	3.1
333.24216	5.2
335.25790	82.2
336.26196	2.5
337.27335	9.0
359.64886	1.2
443.35776	1.6
445.04691	1.5
521.43481	2.1
579.25751	1.4
595.47119	10.7
613.48041	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	793.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	1.8
67.05521	1.4
69.03445	0.8
69.63833	1.6
72.79642	0.7
73.02940	1.5
79.05519	1.1
81.07066	1.8
85.02915	1.8
91.03974	1.2
91.05489	2.3
93.07062	1.8
95.08614	0.9
97.06487	0.7
105.07042	0.8
107.05015	1.3
109.02961	0.8
109.10165	0.8
111.04443	0.9
119.08561	0.9
119.17161	0.9
135.11772	1.3
145.10086	0.7
157.10152	0.9
163.11217	0.9
182.44919	0.8
197.74051	0.7
203.05450	0.8
206.92690	0.8
243.08459	1.9
267.12012	1.1
301.09378	1.0
302.59586	0.8
313.09537	0.8
331.18857	2.0
369.42328	0.7
451.19141	1.0
485.20126	8.2
549.26617	5.3
557.22339	1.1
793.39825	100.0
794.40277	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	794.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	1.3
67.05502	1.5
69.03462	1.3
74.79100	1.1
75.04477	2.9
79.05494	2.6
80.92110	1.2
81.03405	1.5
85.02921	3.1
87.06953	1.4
91.05478	6.8
93.03408	8.6
93.07046	4.1
95.04986	3.6
97.06529	1.8
103.05483	12.4
105.04494	2.1
105.07043	2.1
106.04164	14.8
107.04964	4.2
109.06525	1.4
115.05463	2.2
117.07047	1.7
118.04155	2.8
121.06510	19.4
123.04436	2.1
125.05997	7.1
129.07028	1.2
131.04933	16.5
133.06477	2.7
134.03664	1.7
137.05971	29.4
139.07555	1.3
143.04915	1.5
145.06473	2.1
148.05197	4.7
149.05975	30.9
151.02672	2.0
151.03909	40.5
151.04990	2.3
151.07498	2.4
152.04208	1.7
153.05464	4.6
153.09085	7.9
157.06554	1.3
159.08133	1.4
161.06021	1.9
163.03831	1.3
163.07506	12.5
167.07036	8.8
173.05977	2.3
175.07570	3.4
177.05458	16.6
181.04990	12.0
181.08591	15.9
187.07509	1.7
191.07033	51.2
193.08609	1.4
195.06525	1.7
203.06956	1.9
205.08614	2.6
207.06546	1.8
209.08089	100.0
210.08475	1.9
219.10388	1.3
221.08035	1.4
225.38922	1.2
233.08049	2.7
235.09669	1.3
263.09216	7.8
265.08386	1.4
277.08401	1.7
339.12250	4.3
351.12268	1.9
355.11758	3.5
364.49625	1.2
369.13394	1.3
387.14359	32.6
388.14746	2.2
411.63266	1.3
453.23270	1.2
549.19977	1.9
579.22321	1.6
600.49939	1.2
707.03809	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	14.3
58.41729	4.2
58.74094	4.9
61.02927	8.6
67.05497	6.3
69.03430	50.0
69.07056	19.1
69.70689	14.4
73.02914	13.6
79.05499	26.6
79.05894	4.6
81.03439	6.3
81.07062	30.5
83.08612	14.4
84.59633	4.8
85.02910	66.7
87.04459	30.5
91.05493	8.4
92.45081	4.1
93.07040	12.9
95.08600	23.0
97.02899	59.1
98.22729	6.5
99.61695	4.3
105.07029	16.8
107.04974	5.8
107.08609	10.5
109.02899	5.0
109.10172	13.6
115.03934	60.3
119.08568	23.4
121.10110	12.3
125.06004	51.5
127.03914	20.7
131.08537	6.3
133.04971	42.5
133.10126	19.3
144.04120	4.5
145.04958	38.4
145.10127	7.4
147.08060	7.2
147.11653	14.7
161.09592	32.8
163.06003	16.9
173.13257	7.4
175.11186	18.5
175.14743	11.2
179.10649	13.0
186.16655	4.6
187.14752	6.5
189.12685	5.5
193.12265	12.9
201.12834	9.3
203.14296	23.0
219.13815	12.5
221.15385	32.0
229.15926	6.6
241.07013	5.1
257.22775	14.4
259.08069	10.6
285.22122	100.0
295.10275	24.3
303.23251	31.8
325.11270	22.5
339.53146	5.7
374.33517	4.7
417.26331	15.4
447.27460	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64816	1.6
57.03437	16.0
57.07068	2.7
59.04998	1.8
60.20519	1.8
61.02923	15.0
67.05503	6.2
69.03430	39.1
69.07068	23.0
70.06612	1.8
70.63077	2.9
71.01337	3.5
71.05010	2.9
73.02917	63.0
73.32146	1.5
79.05495	25.4
81.03423	9.0
81.07062	31.1
83.08629	10.0
85.02903	100.0
87.04468	5.1
91.03959	4.7
91.05470	10.9
93.07045	13.3
95.04977	3.4
95.08601	19.7
97.02894	73.3
97.06523	8.3
97.10180	6.1
99.04468	3.6
103.03999	2.1
105.04506	2.7
105.07040	22.5
107.04965	5.9
107.08553	7.9
109.02882	9.0
109.06519	4.8
109.10150	12.5
115.03930	30.7
117.07018	2.6
119.08586	18.0
121.10151	7.3
123.11745	4.0
125.05991	61.2
125.09628	2.0
125.13282	4.4
127.03912	34.4
131.08572	7.4
133.04967	34.2
133.06522	3.2
133.10127	16.7
135.08023	2.6
135.11720	3.4
137.05986	6.4
137.13251	3.4
143.08597	3.0
145.04959	49.1
145.06084	2.9
145.10103	10.4
147.08054	5.5
147.11711	10.0
149.13246	2.1
151.07521	3.9
157.10129	4.4
159.08022	2.1
159.11708	7.3
161.05856	1.7
161.09618	32.7
161.13271	6.5
163.06023	27.2
171.11612	2.1
173.13309	4.7
175.11188	20.2
175.14806	10.1
177.09178	1.9
179.10646	11.3
185.13249	2.2
187.14850	5.3
189.12747	2.5
193.12199	8.0
201.12773	2.7
201.16357	3.5
203.14308	21.8
211.14902	3.5
215.14381	2.8
217.07021	4.2
219.13821	9.8
221.15375	25.2
223.06052	7.3
229.15839	2.9
233.15331	2.7
241.04868	1.6
241.06969	8.8
247.17093	4.3
257.22705	10.4
259.08105	26.4
267.21042	4.6
277.09280	5.1
285.22137	74.7
285.25360	3.8
286.22598	4.0
295.10236	47.3
303.23184	23.2
325.11264	19.6
325.74316	1.7
335.18530	2.9
365.19653	2.4
399.25085	2.6
417.26376	34.5
429.26501	2.9
435.27362	2.7
447.27475	14.7
491.03479	2.0
579.31879	2.8
667.21643	2.2
825.10211	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	794.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	1.4
58.06614	0.4
60.08166	8.4
67.05497	1.0
69.94626	0.9
71.07369	5.3
79.05502	0.6
81.07049	0.8
86.09707	42.5
87.04457	0.5
87.10050	0.6
91.05438	0.5
93.07001	0.5
95.08595	0.5
97.02274	0.4
98.98466	4.6
104.10734	3.2
125.00005	30.8
125.52325	0.3
131.15886	0.3
143.01085	0.5
153.38007	0.4
184.07343	100.0
185.07625	0.6
246.62334	0.4
257.46689	0.5
262.75522	0.4
346.97421	0.4
513.31525	0.4
661.00848	0.6
794.53253	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	794.5776
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	9.7
57.07070	3.8
57.49454	1.8
63.02135	1.6
67.05160	3.8
67.05509	58.9
69.07076	22.4
71.08630	2.8
71.41631	2.5
78.84525	1.8
79.05494	25.2
81.03357	1.7
81.07059	64.3
83.08624	12.9
85.02907	2.8
85.06580	2.7
91.05487	18.1
93.07050	34.8
95.04977	4.4
95.08611	52.7
95.09219	3.1
97.06526	3.2
97.10162	6.5
102.69868	1.9
105.04502	1.7
105.07024	16.3
107.08586	21.9
109.10164	24.0
111.08074	2.5
117.07048	3.2
119.08576	14.1
121.10152	21.2
123.11695	11.3
125.09656	2.1
130.59518	1.9
131.08572	6.5
133.10149	12.2
135.11691	13.7
137.13297	3.8
145.10121	7.3
147.11740	8.7
149.13277	9.1
159.11707	5.6
161.13249	8.1
163.14830	7.0
173.13257	5.9
175.14835	3.2
177.16335	2.0
184.07349	3.2
187.14809	3.8
189.16415	2.2
211.07947	1.8
243.21091	7.7
245.22758	3.1
257.33139	1.8
259.20627	3.6
261.22141	24.7
263.23682	2.6
317.24777	6.4
333.24289	5.4
335.25806	100.0
336.26175	3.1
337.27390	96.0
339.28949	6.1
523.45386	2.7
541.46094	2.8
597.48767	38.3
615.49811	34.3
616.50647	2.6
626.35779	1.9
714.96979	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	796.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08606	0.4
57.07075	66.9
58.07394	0.5
59.04996	1.5
65.03903	0.4
66.02988	0.3
69.03427	0.9
69.07063	1.3
69.20004	2.0
71.04984	0.7
71.08639	1.5
73.02909	2.1
73.06558	3.6
79.05485	1.0
81.07071	1.0
83.04997	0.6
83.08589	0.5
86.09709	0.6
87.04468	32.1
89.06030	100.0
90.06355	0.8
91.05479	8.1
91.07587	0.6
93.07045	4.8
95.04972	3.4
95.08614	0.8
103.05459	2.2
103.81480	0.4
105.03444	0.3
105.04513	1.3
105.07027	3.1
107.04956	1.6
107.07076	2.5
107.08606	3.0
109.06517	1.3
109.10130	0.4
113.05994	1.1
113.13284	1.1
115.05491	0.7
115.07539	0.4
117.06990	2.1
117.09138	2.4
118.07797	5.9
119.04942	4.0
119.08582	5.8
121.06506	22.2
121.10140	1.4
123.08075	1.0
125.00031	0.6
129.07053	0.9
130.08627	2.4
131.07039	13.0
131.08549	0.7
133.08603	64.7
134.08958	0.8
135.08055	5.6
135.10188	0.5
135.11700	2.1
144.09380	0.4
145.06517	0.7
145.10143	0.7
147.08040	13.3
147.11725	0.3
149.09605	6.1
149.10796	0.4
149.13333	0.8
150.06746	3.8
151.09715	0.4
157.08659	0.4
159.10417	0.5
159.11725	2.0
161.11746	0.6
163.07489	0.5
163.11192	2.8
165.09103	6.6
165.10388	0.4
167.10680	2.1
173.09587	0.6
175.08128	0.6
175.09668	9.5
175.11185	0.8
177.11229	27.2
177.12689	2.2
178.11559	0.4
179.12880	0.4
184.07362	2.0
189.09091	0.4
191.10660	3.5
193.10748	0.5
193.12305	1.8
199.88701	0.4
207.13934	0.3
207.17561	0.3
209.11751	2.6
211.13274	3.0
217.16965	0.6
219.12228	2.7
221.13850	5.9
223.15428	0.5
231.17432	0.5
233.19003	17.7
234.19324	0.7
235.13284	3.6
237.15146	0.5
239.14876	1.0
247.20612	0.7
251.12782	0.3
253.14496	0.8
255.15848	2.7
259.20572	3.8
261.22263	0.3
263.15121	0.5
265.16388	1.9
275.20099	0.9
275.23776	1.5
277.21616	27.3
278.21915	0.8
279.15976	1.5
283.17444	2.2
297.16992	0.7
299.18536	1.9
303.23187	3.9
309.19058	1.5
311.20706	0.4
319.22766	0.5
321.24246	7.7
322.24945	0.4
323.18591	0.6
327.20105	1.1
343.21097	0.7
353.21799	1.0
365.27148	0.7
376.43115	0.4
385.22476	0.4
397.24304	1.0
415.25632	0.7
441.27225	0.4
447.25311	0.3
515.32043	1.1
621.21149	0.3
667.38892	1.2
677.37061	4.2
678.37531	0.4
695.74677	0.3
779.51416	7.6
780.51788	0.7
796.54156	14.1
797.53766	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.549
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05019	1.4
58.06600	0.8
60.08162	6.7
67.05489	0.7
69.10538	3.0
71.07375	3.6
81.89252	0.4
86.09708	36.8
87.10041	1.3
94.07373	0.4
98.98450	3.8
104.10747	2.2
107.31552	0.4
118.52566	0.4
125.00007	25.6
150.11638	0.5
184.07341	100.0
185.07703	2.2
186.07739	0.7
778.53778	4.7
796.54236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50137	0.8
75.04828	0.9
98.23517	1.5
111.81693	0.9
113.19511	0.8
120.54969	0.8
163.04001	1.0
185.04276	1.7
209.89786	0.8
231.06355	1.5
270.67575	0.8
278.56100	0.8
337.08923	1.9
357.73596	0.9
377.13647	0.9
409.12360	1.1
419.13190	3.9
543.18201	1.6
553.16602	1.4
557.16516	3.0
571.17828	4.0
572.18597	11.9
573.19708	3.6
635.21149	1.8
797.26208	100.0
798.26288	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	797.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00396	0.2
58.05743	0.2
69.72774	0.7
109.22263	0.2
249.14630	0.3
257.10104	0.3
409.18326	38.7
410.18695	3.9
411.19867	100.0
412.20178	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	799.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
87.85050	0.8
98.22719	2.1
184.07536	0.9
203.05251	9.1
317.08426	8.2
325.21481	2.0
372.52087	0.9
380.34534	0.9
396.58875	0.9
505.27686	63.5
506.28442	2.2
595.27789	0.9
688.65027	1.1
799.37164	100.0
800.37189	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	802.523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	1.0
58.06603	0.6
60.08163	6.7
65.45946	0.3
67.05499	1.7
69.07055	0.6
69.22899	0.6
69.23303	1.1
71.07378	4.1
79.05494	1.4
81.07056	1.9
86.09705	36.3
91.05477	0.8
93.07036	1.1
95.08590	1.6
98.98464	3.2
104.10751	2.9
105.07037	0.5
107.08586	0.6
109.10160	0.4
119.08620	0.5
125.00002	21.2
131.08597	0.5
146.98172	2.9
167.40770	0.2
181.21700	0.3
184.07338	100.0
185.07722	0.5
191.14456	0.3
231.98303	0.3
259.62738	0.3
420.82846	0.3
473.91397	0.4
619.46863	3.3
743.46558	2.3
766.50183	0.6
784.51434	1.8
802.52600	9.9
803.53284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
58.06366	0.2
58.06617	0.5
60.07877	0.3
60.08167	6.6
61.86208	0.2
64.85794	0.2
67.05514	0.2
69.56773	0.4
69.57159	0.3
71.07378	3.2
76.13306	0.2
81.07030	0.5
86.09710	32.2
93.07094	0.2
95.08590	0.4
95.54353	0.2
98.23508	0.2
98.98467	2.6
99.15675	0.2
104.10755	2.3
122.58802	0.2
125.00006	19.6
143.01073	0.2
146.98209	0.4
150.42609	0.2
184.07346	100.0
185.07671	0.6
199.35442	0.2
291.56265	0.2
347.00446	0.2
355.95355	0.2
400.19208	0.2
619.46790	0.4
743.45471	0.4
783.07159	0.2
784.50922	0.5
802.52307	9.4
803.52173	0.5
803.94568	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	803.2243
Annotation	Isorhamnetin 3-gentiotrioside
Peak:m/z	Relative Intensity
57.03440	0.5
61.02922	1.0
63.97564	0.1
65.03930	0.1
68.99776	0.1
69.03430	2.2
69.15416	0.1
70.65501	0.2
71.04966	0.3
73.02872	0.4
77.96066	0.1
78.44038	0.1
81.03418	1.0
83.01334	0.1
85.02905	9.0
87.04434	0.3
91.03912	0.4
92.02560	0.3
93.03356	0.4
97.02893	3.0
99.04393	0.4
101.02352	0.1
107.04900	0.1
109.02874	0.9
111.00778	0.1
121.02882	0.6
125.84000	0.1
126.03072	0.3
127.03909	1.7
135.04335	0.1
137.02335	0.2
139.03891	0.7
142.62117	0.1
145.04959	2.2
151.03903	0.8
153.01817	4.7
163.03885	0.5
163.06021	0.2
165.01834	0.6
177.03877	0.1
177.05447	0.4
183.02856	0.2
201.05505	0.5
203.03354	0.1
217.04991	0.3
218.05670	0.2
228.04164	0.7
229.04967	1.9
230.05513	0.1
231.02786	0.2
234.03038	0.1
243.06476	0.1
245.04308	0.6
246.05258	1.1
257.04425	2.1
260.03113	0.2
261.07483	0.3
271.05954	0.3
273.03888	1.0
274.04721	3.3
284.03073	0.4
285.03934	3.4
286.04611	0.2
288.06259	0.2
302.04196	12.5
303.04572	0.4
317.06537	100.0
318.06876	2.6
359.07819	0.3
397.54837	0.1
479.11850	14.8
480.11725	0.5
569.50189	0.1
641.17108	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	803.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	1.5
67.39068	0.7
69.03435	2.5
69.29265	4.2
79.05518	1.2
81.03439	0.9
84.08181	0.7
85.02924	3.5
86.06908	0.6
86.09663	0.8
93.07052	2.1
94.06561	4.4
95.07352	1.0
96.08127	3.3
97.02898	1.5
98.22736	1.7
108.08125	5.5
110.09679	6.9
120.08112	6.1
122.06020	6.6
122.09696	1.1
131.07561	0.8
136.07574	7.4
137.64453	0.7
138.09138	7.4
144.23483	0.8
146.06036	0.8
148.07582	1.8
166.08658	9.2
166.09883	1.0
184.07442	1.5
211.08655	1.9
215.08261	0.8
221.10814	1.2
222.04053	0.8
225.10153	0.8
235.08691	2.0
237.10329	0.9
247.08768	2.0
248.09428	0.8
249.10228	13.1
250.11046	0.8
251.11974	0.8
258.61020	0.8
261.10223	1.4
263.11807	1.7
265.09784	1.3
275.08218	1.9
277.09741	8.2
279.11417	0.8
290.10446	0.7
291.11298	1.5
293.09229	1.1
295.10889	0.8
309.12250	6.3
321.08719	0.8
323.14294	1.0
323.96698	0.8
325.12552	0.8
326.13156	2.8
327.13901	1.9
328.11096	1.3
328.14658	1.3
329.11951	1.0
336.15079	1.1
338.16806	1.2
339.14651	0.7
340.10922	1.6
340.14719	2.7
341.11783	0.9
341.15555	1.4
342.12338	1.6
342.15909	1.2
344.14273	0.9
350.13049	1.2
351.13629	0.8
352.14630	1.9
353.11874	2.1
354.12381	5.9
354.16034	0.9
355.13248	3.1
356.14038	3.5
356.17767	1.3
364.14432	3.4
365.15378	1.0
366.12195	1.6
366.16165	3.2
367.13272	3.4
368.10159	1.6
368.14075	8.5
369.14648	4.7
370.15649	2.8
379.12952	0.9
380.14114	2.1
382.11328	3.5
382.15817	6.8
383.16550	1.7
384.13013	1.0
384.17169	7.7
386.15051	0.9
392.13931	2.3
393.02487	0.8
393.14175	0.9
394.15652	1.5
395.12976	1.5
396.13339	5.4
397.14252	2.0
398.18872	8.0
402.14426	0.9
408.13464	1.7
410.14905	6.1
412.16614	7.0
413.13712	1.1
414.14569	1.5
415.15186	1.3
416.15933	1.0
420.13474	1.9
426.14410	2.5
426.19281	1.7
428.16028	4.7
430.17825	0.9
438.14474	24.8
439.15216	1.0
442.17520	1.6
444.19861	5.8
452.16260	1.3
456.15518	33.3
458.17084	6.7
470.17371	2.6
476.18167	29.3
477.18707	0.9
488.18182	15.2
489.18423	0.9
503.19724	0.8
544.24475	0.8
563.22906	1.0
591.22479	3.9
595.25281	2.2
609.23425	19.4
613.26276	1.0
623.25061	16.2
641.26050	100.0
642.26434	4.8
771.28607	2.6
803.31183	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	804.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	8.6
59.04992	3.9
59.82299	1.4
61.02927	6.7
63.63464	1.5
65.03943	2.1
66.20888	1.3
67.05508	36.9
69.03420	5.5
69.07066	12.9
69.97448	4.1
71.01338	1.6
71.04984	5.0
73.02896	2.5
79.05498	36.1
81.03416	14.4
81.07058	61.5
83.04985	4.0
83.08620	14.9
85.02903	4.7
85.06540	2.1
87.04546	1.5
89.01518	1.4
91.03977	1.9
91.05481	47.5
92.82545	1.5
93.07051	34.1
95.04983	20.9
95.08607	17.2
97.02884	9.3
97.06532	4.2
97.10176	5.6
99.00808	18.7
99.08108	1.5
101.56165	1.3
103.05453	2.2
105.04514	3.3
105.07034	35.7
107.04957	22.6
107.08598	20.6
109.02882	12.0
109.06520	14.3
109.10155	13.2
111.08073	7.7
111.45679	1.4
113.05963	1.7
115.03967	3.4
115.05423	2.8
117.07021	17.5
119.04921	2.2
119.08578	34.5
121.06504	13.8
121.10133	7.6
123.08073	5.3
123.11706	3.3
125.00066	1.8
125.09592	2.1
128.06218	5.9
129.07002	10.8
131.08560	16.8
133.06512	7.5
133.10124	51.5
135.08052	8.0
135.11690	5.9
137.05934	2.9
137.09613	3.1
139.07558	2.7
141.07010	2.5
142.07771	1.4
143.08560	16.2
145.06474	6.3
145.10130	19.7
147.04355	3.1
147.08049	14.1
147.11674	4.9
149.02278	2.0
149.09624	11.1
151.11211	12.7
155.08481	3.0
157.10153	8.5
159.08020	4.9
159.11671	6.2
161.09610	47.4
163.11188	10.6
165.09088	2.3
169.10104	4.0
171.08051	4.5
171.11694	5.8
173.09622	3.8
173.13263	1.6
175.11217	5.3
177.09152	1.7
177.12735	3.1
179.10699	8.2
184.07370	3.8
185.09627	2.6
185.13303	3.4
187.11209	2.0
189.09093	9.5
189.12769	2.4
195.11736	2.0
197.07266	5.0
197.11707	3.4
199.11200	3.6
205.12296	1.9
207.10199	2.5
213.12427	1.6
213.16383	1.7
225.11234	12.4
227.12842	4.5
227.17967	2.5
243.12305	2.4
245.19002	6.5
255.17508	6.7
273.18494	100.0
281.13815	5.9
291.19455	6.1
299.14902	74.5
299.18411	1.4
300.15140	1.6
307.71149	1.5
309.16031	3.3
329.21048	5.1
347.22159	43.2
348.22519	2.3
365.23291	3.1
383.19852	24.9
469.24808	1.9
479.27844	2.5
497.28812	1.5
497.88733	1.9
543.33167	2.0
553.31982	6.5
571.32623	30.3
571.41315	1.1
589.33704	94.8
590.33655	3.8
607.30334	45.9
608.30817	1.7
625.31378	11.3
804.38159	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	804.438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.2
59.05021	3.0
65.50428	2.5
67.05507	35.3
69.03445	4.6
69.07079	14.4
79.05486	37.9
81.03413	11.3
81.07061	66.9
83.04989	10.0
83.08621	21.1
85.02906	4.5
85.06519	4.3
91.05491	40.2
93.07053	39.2
95.04965	20.1
95.08607	19.0
97.02863	5.3
97.06555	9.4
97.10181	23.4
99.00790	15.1
99.08085	2.4
99.57935	2.6
105.04510	3.3
105.07034	28.1
107.04938	15.4
107.08591	24.4
109.02883	9.5
109.06519	8.1
109.10165	14.7
111.04443	12.7
111.08073	9.8
117.07030	15.3
118.00661	2.6
119.08584	24.1
121.06509	14.7
121.10136	12.0
123.08075	17.0
124.16206	2.5
125.09615	20.9
129.07013	5.6
131.08572	18.3
133.06477	5.9
133.10120	37.2
135.08063	8.0
135.11693	6.8
137.06021	3.4
137.09651	7.2
142.69789	2.7
143.08540	6.7
145.10117	14.2
147.08043	11.4
147.11717	4.7
149.09666	4.8
151.11165	10.5
153.09041	3.7
153.12762	4.1
157.10109	6.6
161.09625	27.8
163.11174	17.2
165.09108	3.1
171.07947	4.6
171.11745	3.3
173.09604	3.4
178.44026	3.0
179.10674	14.1
181.12192	6.7
189.09105	10.0
189.11171	11.1
191.10672	6.0
193.12193	3.0
199.82953	3.0
223.13373	6.1
225.11230	13.6
227.12692	20.8
235.02115	2.5
245.19061	3.9
249.14862	4.8
255.17337	5.3
273.18460	33.7
281.13721	5.4
283.15454	4.1
291.19525	80.3
292.19980	2.9
299.14883	100.0
309.20499	15.2
347.22156	12.2
365.23239	42.4
383.24146	24.0
561.34052	3.9
571.32489	13.4
589.33728	67.2
607.34729	61.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5386
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
57.07051	0.3
58.06584	0.5
60.08165	6.7
61.23824	0.3
67.05485	0.4
69.91328	1.0
71.07374	4.4
86.09705	32.7
87.09998	0.4
87.42159	0.3
98.98466	3.6
104.10756	2.8
119.08467	0.3
125.00006	23.9
137.71983	0.3
140.64513	0.3
184.07343	100.0
185.07710	1.5
186.07761	0.4
187.60085	0.3
232.34998	0.3
448.98184	0.3
535.63208	0.3
548.29968	0.3
768.51978	0.8
786.52948	2.1
804.53961	20.3
805.54993	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	4.9
57.07079	2.3
67.05505	39.7
71.07374	12.9
79.05501	11.8
81.07055	37.2
83.08620	4.4
86.09708	92.4
86.78455	1.3
87.10012	1.6
91.05515	7.3
93.07054	9.2
95.04960	2.6
95.08610	23.3
97.06564	1.7
97.10203	2.1
105.07082	3.6
107.08623	3.9
109.03704	1.4
109.10184	6.2
119.08620	3.6
121.10153	2.9
123.11721	3.8
125.00027	4.1
133.10146	2.8
146.98175	92.8
147.11786	1.5
149.13345	1.9
150.66913	1.3
163.01613	2.8
164.99261	1.7
184.07317	14.9
188.00917	2.7
237.48605	1.4
354.01797	1.4
465.23892	3.3
502.33087	1.6
522.29779	1.4
567.64911	1.7
599.50366	10.3
621.48505	99.0
622.49091	6.0
745.47717	100.0
746.47650	5.8
804.55145	87.5
805.55365	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	804.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	3.8
57.07079	4.8
65.03950	2.4
67.05507	45.1
69.07066	10.7
71.07372	19.0
79.05499	14.8
81.07063	47.9
83.08636	6.5
85.10168	2.6
86.09707	97.0
89.06036	5.7
91.05498	8.8
93.07050	15.6
95.04990	2.6
95.08610	22.0
97.10176	4.4
105.07030	4.9
107.08607	5.4
109.10175	7.4
119.08537	4.5
120.70787	1.7
121.10186	5.2
123.11714	3.8
129.35478	1.8
133.08604	3.0
133.10179	5.2
135.11731	2.1
146.98177	100.0
147.11745	2.1
148.53308	1.8
161.13364	2.2
184.07344	12.5
236.00790	1.8
599.50085	10.0
621.48444	91.7
622.48273	3.2
745.47784	88.1
746.48029	5.2
766.51025	2.2
804.55066	90.4
805.55505	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	805.329
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.9
65.03937	1.0
69.03426	2.1
70.36756	1.2
70.37101	0.9
79.05485	0.9
81.03382	1.0
82.06589	0.8
82.91245	0.7
85.02917	2.4
90.12286	0.7
91.05466	1.2
91.39056	0.9
91.49856	0.7
93.03434	0.7
93.07048	1.8
94.06559	4.4
95.04996	0.8
95.07350	0.9
96.08133	4.2
106.06561	1.2
108.04474	2.2
108.08110	8.5
110.06052	0.7
110.09692	6.2
116.04997	0.8
120.04477	3.8
120.08112	6.2
122.06031	4.3
122.09667	0.9
124.07590	5.6
132.08093	0.7
134.05983	3.5
136.07561	9.2
138.09126	9.6
144.04480	3.1
146.05966	5.1
148.07562	4.0
150.09155	2.0
152.07089	1.5
160.04012	3.2
162.05510	3.7
164.07047	1.4
166.08635	13.7
167.07166	1.1
172.03925	20.9
172.05289	1.3
172.07492	0.8
174.05492	1.6
176.07106	3.1
181.05002	1.2
182.09782	1.0
190.04985	16.5
190.06645	1.2
192.29019	0.7
197.10777	1.7
199.08682	0.9
199.12367	2.1
204.06541	35.2
205.06976	1.2
209.10696	1.2
211.08723	2.7
211.12271	1.3
212.09448	1.7
213.10144	1.5
223.08748	1.1
224.09413	0.8
225.10201	7.4
226.10887	1.0
227.11778	11.7
233.42685	0.8
235.08769	0.8
236.09500	1.9
237.10324	2.8
238.10966	1.7
239.11861	3.0
241.09761	1.5
241.13344	1.1
249.10277	2.3
250.11189	0.9
251.08296	1.6
251.11812	2.6
253.09828	3.7
255.11311	2.2
259.14465	0.9
263.08109	0.9
264.08975	3.0
265.09744	1.5
266.10489	1.4
267.11365	2.2
269.12851	15.2
271.10751	7.1
273.12323	3.5
277.09763	1.6
279.11288	4.7
281.12860	2.0
283.10736	4.1
284.11630	3.1
285.12265	4.3
286.13065	0.8
287.13962	12.1
291.11255	1.7
297.12323	8.2
299.13943	4.6
300.11649	1.3
301.12009	0.9
302.12750	0.8
307.10791	2.4
309.12363	1.9
312.15033	0.9
313.12570	1.2
314.13104	1.3
315.13901	1.3
316.14420	1.3
323.10312	5.0
325.11768	18.7
325.15668	1.3
326.16537	1.0
327.13660	2.0
328.10730	2.4
328.14600	2.6
329.15268	1.1
330.12393	0.9
330.15970	2.7
331.17044	1.4
334.08975	0.8
337.11920	0.8
339.13895	2.1
341.11722	1.0
342.12436	5.3
342.16199	1.1
343.13058	6.0
343.16638	1.0
354.12378	1.2
354.16299	0.9
355.13248	1.4
356.13907	6.5
357.14453	18.6
358.15436	2.6
365.11346	1.0
367.12851	1.0
368.18106	0.8
369.15451	1.5
370.11722	1.0
370.15671	4.1
371.16409	1.2
378.18094	1.1
382.11823	3.3
383.12698	2.1
384.13428	2.9
385.14429	2.4
386.14667	1.5
386.18765	2.1
390.18027	3.4
394.15717	1.1
397.15314	0.9
398.14954	17.3
399.15778	23.8
400.16269	1.6
404.16013	4.7
412.16751	2.5
414.18271	3.4
416.16019	15.3
422.16837	1.3
428.16083	3.6
430.17709	2.2
440.16031	6.3
441.15018	1.4
446.17062	9.2
458.17090	24.5
459.17291	1.1
478.19791	2.6
487.17197	9.0
490.19815	10.2
519.19482	0.8
520.20905	1.1
541.24695	1.2
551.22681	1.0
565.24335	1.1
567.26099	1.2
569.23846	3.7
575.22919	1.2
583.25244	1.1
593.23950	5.5
611.24982	100.0
612.25275	7.0
626.24927	3.4
643.27600	11.8
644.28278	1.2
657.20721	1.0
745.30945	1.3
755.29346	1.0
773.30182	25.6
774.30304	2.7
805.33118	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52457	1.4
59.97107	1.4
60.86887	1.3
69.03432	1.9
78.94631	1.4
80.21336	1.4
85.02916	1.8
93.07021	1.4
94.06586	3.0
95.07333	1.5
96.08139	3.7
107.33482	1.4
108.04461	2.4
108.08106	5.8
110.09682	6.1
116.04959	2.0
118.06551	2.1
118.18244	1.7
120.04463	4.3
120.08122	6.0
122.06069	3.6
124.07588	6.5
134.06033	1.8
136.07573	9.6
136.95345	1.4
138.09123	8.2
144.04506	2.4
146.06010	5.3
148.07536	4.1
152.07097	1.8
160.03960	3.4
162.05560	2.5
165.09129	3.0
166.08644	15.0
172.03937	22.5
174.05537	1.7
176.07076	3.7
190.04988	21.7
204.06563	42.4
209.10750	1.7
211.08673	2.4
212.09425	1.6
225.10210	8.0
226.11000	2.3
227.11830	10.6
237.10240	4.2
238.10822	2.1
239.11852	4.7
245.12764	1.7
251.11774	3.6
253.09724	5.2
255.11551	1.7
264.08896	3.4
267.11188	1.8
269.12860	15.4
271.10757	6.1
273.12326	2.9
277.09778	2.3
279.11255	3.2
280.65991	1.5
283.10855	7.4
284.11514	4.1
285.12445	4.4
287.13898	11.4
297.12421	7.8
298.13010	1.6
299.13916	3.5
307.10663	1.9
312.15042	2.5
323.10297	6.5
325.11783	15.9
327.13681	2.0
328.10785	2.3
328.14487	3.5
330.15851	1.9
341.11566	1.8
342.12225	4.7
342.15884	1.7
343.13016	8.2
356.13855	6.5
357.14465	21.1
358.15350	6.3
370.15576	6.2
378.18179	2.1
382.11920	3.4
383.12680	2.1
384.13171	3.5
386.14636	3.1
386.18951	2.4
390.17828	2.4
398.14957	19.1
399.15796	22.0
400.15894	2.6
404.15909	7.2
412.16891	2.0
414.18195	6.0
416.16107	15.7
428.16098	3.2
430.17560	4.1
440.16251	8.5
446.17078	6.7
458.17029	25.5
478.19650	3.2
487.16974	8.6
490.19919	10.2
569.23785	4.2
580.25470	1.8
593.23853	4.6
611.24994	100.0
612.24835	4.7
643.27643	22.3
773.30206	35.1
805.33026	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	805.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	9.2
57.07076	2.6
60.08170	6.9
60.95217	1.2
61.02926	9.7
62.38728	1.6
64.04127	1.2
65.03937	4.1
67.05503	55.8
69.03440	8.0
69.07066	13.9
71.04993	3.7
71.07371	2.9
71.45898	1.4
73.02908	5.5
79.05491	52.5
80.05827	1.3
81.03430	10.7
81.07054	94.0
82.07356	1.3
83.04977	4.1
83.08614	6.0
85.02907	10.1
85.06515	3.3
86.09705	35.5
87.10033	3.5
91.03951	4.1
91.05482	34.3
93.07041	40.5
94.07349	1.2
95.04968	14.9
95.08604	33.2
97.02903	10.9
97.06510	5.3
97.10166	4.7
98.98467	3.2
99.04461	1.9
99.08103	2.1
101.02306	1.4
103.15186	1.7
104.10728	3.7
105.04498	2.3
105.07033	27.6
106.07355	1.6
107.04954	7.4
107.08591	17.4
108.10942	1.4
109.06517	28.1
109.10149	13.6
111.08061	2.3
115.05435	1.2
117.07036	11.2
119.08577	25.7
121.06524	5.5
121.10147	16.4
123.08076	4.7
123.11733	3.4
125.00009	22.2
125.09615	4.1
128.06232	2.5
129.07008	6.0
131.08554	10.4
133.06511	2.3
133.10110	13.4
135.08089	7.0
135.11717	8.6
136.06210	1.6
137.09576	2.9
141.07062	2.2
142.07814	1.7
143.08551	6.0
144.05670	1.6
145.06509	2.1
145.10129	11.6
146.98181	9.0
147.08037	8.5
147.11694	7.8
149.09662	4.0
149.13295	4.9
151.11188	1.5
157.10126	4.9
159.08099	3.1
159.11659	7.2
161.09599	12.7
161.13245	3.8
163.11195	5.6
169.10213	2.5
171.11621	2.6
173.09654	2.3
173.13281	4.8
173.15784	1.4
175.11220	4.1
175.14813	1.4
177.12816	1.9
183.11731	1.9
184.07338	100.0
185.07710	13.4
185.09354	2.4
185.13283	3.3
187.11183	2.5
189.11227	2.9
189.12729	2.3
193.12181	1.5
199.11221	3.1
203.14246	1.9
219.17442	4.2
220.17790	1.5
227.12660	2.1
227.17862	1.6
241.19409	2.9
245.19011	3.6
255.17479	3.4
257.18954	2.2
259.20697	7.3
261.22183	4.0
273.18460	49.7
275.20184	9.8
276.20316	1.4
277.21515	1.9
291.19513	7.8
315.23065	1.8
329.21048	3.8
333.24234	8.1
334.24347	2.0
335.25806	50.1
347.22058	29.6
349.23773	7.5
351.25418	2.1
365.23425	6.4
368.38144	1.3
529.38483	1.5
533.39886	2.9
607.43488	11.3
608.43634	2.7
622.49121	6.6
625.34882	2.6
625.44629	40.1
626.45013	2.6
658.95282	1.4
667.45465	1.7
715.45166	2.1
743.60754	1.6
746.48041	7.3
751.47540	1.8
769.47717	1.5
787.51508	4.7
805.40613	2.7
805.56079	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	805.5089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99780	1.1
57.03449	2.2
60.08163	5.1
67.05508	25.4
68.58604	1.1
69.03423	2.0
69.07059	5.5
71.04992	1.5
71.07381	5.8
72.18275	1.2
79.05502	22.8
81.03446	1.6
81.07061	60.9
83.04978	5.7
83.08635	4.2
85.02901	2.3
86.09709	37.4
87.10043	5.1
89.88108	1.3
91.05486	11.4
93.07046	14.7
95.04945	7.3
95.08607	13.9
97.10181	3.7
98.98476	2.7
104.10739	3.8
105.07048	9.2
107.04969	2.1
107.08581	8.5
109.06522	28.6
109.10161	5.5
111.04439	5.6
111.08096	2.1
117.03516	1.1
117.07024	4.3
119.08589	12.9
121.06487	4.2
121.10159	6.2
123.08121	2.1
125.00002	24.7
125.09634	2.7
129.06989	2.0
131.08572	6.1
133.06474	2.2
133.10147	3.4
135.08014	2.2
135.11693	4.8
137.09663	1.7
143.08543	2.4
145.06451	1.4
145.10141	6.6
146.98175	7.8
147.08052	6.0
147.11681	2.5
149.09630	3.2
153.46846	1.2
157.10085	1.7
159.11679	3.2
161.09641	3.8
163.11192	4.4
165.09068	1.3
173.09686	1.5
173.13333	1.7
179.32138	1.1
181.12291	1.4
184.07346	100.0
185.07721	11.8
185.13319	1.6
191.10786	1.5
223.13396	1.4
249.14825	3.1
268.26682	1.3
273.18454	11.8
291.19562	40.4
322.93268	1.4
335.25827	26.5
347.22165	5.0
355.26517	1.3
365.23154	9.1
443.32025	1.5
607.43311	5.2
622.49048	5.7
625.44678	26.5
626.45111	1.9
631.06360	1.3
746.47437	2.9
805.55322	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	4.4
57.07077	1.4
60.08162	7.3
65.03948	2.7
67.05505	25.8
69.03421	2.1
69.07067	5.5
71.04993	1.6
71.07378	4.3
79.05493	34.4
81.03425	2.7
81.07055	58.4
83.04975	4.0
83.08623	4.1
84.00925	1.2
85.02905	1.9
85.06580	2.2
86.09708	35.5
87.10048	3.6
91.05484	16.4
93.07045	21.8
95.04967	12.4
95.08601	15.0
97.06517	1.7
97.10182	3.0
98.98477	5.9
104.10745	2.7
105.04478	1.6
105.07025	14.9
107.04968	5.6
107.08595	10.0
109.06519	33.9
109.10159	7.0
111.04423	4.0
111.08047	1.6
113.06011	4.7
117.07014	7.3
119.08583	16.4
121.06498	4.5
121.10162	5.1
123.08031	2.8
124.99995	27.0
125.00838	2.3
125.09615	1.5
129.07018	4.0
130.07797	1.6
131.08539	7.3
133.06482	1.8
133.10158	4.3
135.08017	7.1
135.11723	2.1
137.09618	1.6
143.08548	3.1
145.10138	9.3
147.08041	7.1
147.11740	2.2
149.09634	3.7
152.10234	1.2
157.10104	2.9
159.07970	2.3
159.11710	2.9
161.09679	5.6
163.11189	3.5
171.11748	1.5
183.10155	1.5
183.24901	1.1
184.07343	100.0
185.07690	9.2
213.30724	1.3
217.15971	1.5
221.44138	1.2
227.12738	2.1
249.15057	2.0
255.17253	1.9
257.19162	1.5
273.18481	15.4
291.19537	65.2
335.25806	29.1
347.22165	6.5
365.23190	12.4
386.94016	1.5
401.06924	1.3
403.00272	1.4
607.43390	7.5
625.34924	1.9
625.44684	36.9
626.45068	1.8
787.53284	2.7
805.55255	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	806.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.0
61.02923	5.4
65.03933	5.3
67.05160	3.7
67.05511	59.7
68.23915	2.6
69.03445	5.6
69.07058	18.2
71.04985	3.8
73.02938	3.3
79.05500	51.8
81.03434	14.8
81.03821	3.2
81.07060	86.8
83.04981	25.9
83.08618	12.0
85.02899	5.4
85.06548	6.6
86.09692	6.1
88.69099	3.3
91.03967	3.2
91.05484	52.7
93.07041	54.5
93.52631	3.0
95.01350	3.2
95.04976	29.0
95.08617	23.2
97.02913	3.8
97.06516	14.8
97.10172	6.5
101.47276	3.0
105.04507	3.1
105.07032	28.0
107.04955	51.8
107.08003	3.6
107.08607	31.1
109.06540	16.8
109.10156	15.5
111.04441	20.4
111.08060	9.1
114.91044	2.7
115.05434	3.1
117.07030	24.1
119.08567	33.6
121.06533	8.2
121.09361	4.5
121.10152	39.0
123.04427	4.4
123.08065	4.0
125.09669	5.3
128.06276	3.9
129.07051	14.1
131.04938	6.1
131.08568	23.1
133.06473	7.0
133.10127	10.9
135.08075	9.2
135.11696	29.6
137.09660	3.9
137.42403	2.6
141.06984	3.2
143.08560	16.5
145.06485	11.7
145.10143	48.0
147.08084	14.6
147.11673	6.1
149.09650	14.1
153.12733	13.4
155.08502	17.1
157.10109	7.2
159.08006	7.7
159.11674	6.8
161.09589	32.4
163.11186	44.3
171.11659	5.5
173.09630	25.5
175.11115	5.0
177.12776	3.1
181.12260	10.1
184.07332	10.5
185.13254	3.5
191.10661	19.1
197.07408	3.6
209.11742	7.8
227.12698	13.6
245.19014	4.6
255.17326	3.8
265.11761	4.1
265.14371	43.9
273.18494	100.0
275.20029	7.1
283.12543	5.1
283.15399	56.0
291.19601	12.1
299.14825	4.5
301.16483	42.3
311.19955	4.2
347.22305	37.4
349.23560	4.3
383.19775	7.9
463.28082	5.1
527.33771	14.2
529.35126	4.7
537.31964	7.4
545.34601	6.3
555.33228	67.0
573.34192	59.7
574.34570	5.9
591.35815	78.0
609.31812	27.7
696.32391	3.2
806.40918	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	806.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	24.6
67.05505	54.3
69.07081	12.9
71.14281	14.0
76.40520	10.3
79.05501	38.8
81.07051	57.4
81.83911	8.5
91.05491	42.7
93.07045	42.6
95.05151	10.2
95.08611	52.6
105.07027	43.0
107.08622	20.8
109.10143	10.4
117.07011	10.9
119.08600	27.1
121.10140	22.6
131.08609	28.4
133.10161	17.0
135.11710	16.2
143.17247	9.3
145.10101	14.0
147.22568	8.1
176.49815	10.8
208.28011	9.7
219.17453	100.0
231.41618	10.0
276.33716	9.4
335.25949	53.3
337.80307	9.9
609.45203	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	9.7
57.15079	1.3
59.05013	2.2
67.05502	3.3
69.03065	2.4
69.03432	41.4
69.07066	6.8
71.01328	1.6
73.02917	2.1
73.86682	1.4
75.04464	1.7
76.05199	1.4
79.05500	5.6
81.03414	4.1
81.07060	10.6
83.08643	3.2
85.02912	36.5
86.09710	1.8
87.04468	25.9
91.05477	4.9
93.07050	8.4
95.04985	1.9
95.08606	17.0
97.02897	38.8
97.06526	2.1
99.71050	1.6
105.07052	12.2
107.04957	2.1
107.08609	11.9
109.02851	3.0
109.06551	2.0
109.10156	15.0
111.11722	2.5
115.03936	47.1
119.08585	13.8
121.10139	12.4
123.11723	3.6
125.05987	11.0
127.03922	6.7
128.07080	2.6
131.08569	4.0
133.04973	44.3
133.10092	7.4
135.11702	5.4
137.13261	1.8
138.76474	1.5
139.77449	1.3
145.04956	10.6
145.10146	5.6
147.11696	6.5
149.13258	6.9
157.10132	3.6
159.11734	7.4
161.09570	1.6
161.13251	5.7
163.06046	2.9
173.13272	8.0
175.11171	3.6
175.14738	2.6
182.15450	2.8
187.14867	4.4
189.16399	9.6
193.12172	2.9
194.82623	1.4
201.12709	1.9
207.13834	2.6
210.14880	5.8
211.06036	1.7
211.14948	2.5
229.19582	4.8
241.07111	2.4
243.21103	9.2
253.19463	4.8
259.08151	7.5
271.20569	11.2
277.09122	2.9
289.21600	15.5
295.10263	7.0
299.20117	3.8
317.21121	100.0
318.21454	2.6
325.11288	4.0
329.83984	1.5
335.22168	38.2
358.75974	1.5
393.85324	1.6
431.24149	2.3
443.24252	4.0
449.25366	10.6
461.25046	8.7
808.56030	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	808.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	10.4
57.07075	2.8
57.18638	1.2
57.39127	1.4
61.02922	2.4
65.03944	2.8
67.05505	63.5
67.05864	3.4
69.03413	2.4
69.07069	17.9
69.75874	5.1
75.80331	1.2
78.41400	1.3
79.05496	51.3
79.16431	1.3
81.07057	52.6
83.04996	1.4
83.08612	11.2
85.02895	3.0
85.06572	2.3
90.26595	1.2
91.05478	47.0
93.07047	56.9
95.04956	7.2
95.08609	45.0
97.06546	3.5
97.10173	4.6
98.23406	1.9
99.08102	1.9
105.04526	2.3
105.07033	47.4
105.07745	3.1
107.08593	33.9
109.06538	1.8
109.10146	18.7
111.08077	2.6
117.07026	14.8
119.08583	39.6
121.10147	28.4
123.08037	2.0
123.11710	7.0
125.09636	1.6
129.06992	8.1
131.08565	25.0
133.09171	2.5
133.10136	34.1
135.08089	1.8
135.11700	23.2
137.09648	1.4
137.13258	1.9
143.08553	8.6
145.10127	25.0
147.11685	31.1
149.09616	2.8
149.13260	12.8
155.08627	2.5
157.10153	9.4
159.11700	20.2
161.09592	2.1
161.13252	23.8
161.14537	2.1
163.11240	2.7
163.14851	4.8
169.10175	2.0
171.11681	10.9
173.13269	16.0
175.14839	7.8
177.12787	1.5
177.16420	3.3
179.14249	1.5
181.10126	1.5
183.11690	3.8
185.13254	11.1
187.14832	6.8
189.16356	2.2
191.14215	1.4
197.13229	2.9
199.14790	7.1
201.16446	4.1
209.13432	2.0
211.14929	1.3
213.16440	3.7
215.17912	2.5
231.21106	6.0
239.17989	2.5
241.19539	24.3
241.21819	2.0
243.21071	3.8
253.19699	1.4
257.18961	10.8
259.20584	69.3
260.20786	1.7
261.22144	15.7
263.23581	1.7
271.20572	2.3
277.21695	3.2
285.22256	1.8
301.21765	1.6
313.21777	2.1
315.22992	6.5
317.24838	2.1
331.22647	4.6
333.24240	65.9
334.24469	3.0
335.25812	100.0
336.26266	3.3
337.27234	6.4
339.26755	1.4
351.64252	1.4
363.25351	1.6
367.22583	2.2
381.31714	1.4
393.31506	1.5
449.33276	1.9
453.71249	1.6
475.34634	1.8
503.36877	1.5
519.41846	8.4
527.36578	2.1
537.42792	3.7
541.38580	2.2
593.45709	16.1
594.45831	1.7
605.96454	1.5
611.46710	76.7
612.46600	4.4
701.46863	1.7
737.49091	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	808.5565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	20.3
57.07071	2.3
61.02923	4.9
65.01591	1.8
65.03938	2.7
67.05504	78.6
69.07070	21.9
71.04980	3.8
71.08637	2.1
79.05494	59.6
81.07056	81.5
83.04981	3.4
83.08611	14.4
85.02890	3.2
85.06564	3.2
91.03973	3.1
91.05480	50.2
93.07045	77.4
95.04977	6.1
95.08606	67.9
97.02903	3.6
97.06511	5.1
97.10157	6.1
99.08030	2.3
105.04514	4.9
105.07037	42.8
107.08591	47.5
109.06489	4.7
109.10166	29.6
110.10493	2.1
111.08104	2.7
117.07025	16.2
119.08581	39.0
121.10143	30.9
123.08069	4.8
123.11713	6.8
129.06979	3.1
131.08562	21.5
133.10138	30.8
135.11710	24.8
137.09613	3.4
137.13301	2.2
143.08563	6.6
145.10106	18.8
147.11684	22.4
149.09612	2.9
149.13272	8.9
151.65820	1.8
157.10081	6.1
159.11682	18.7
159.60350	2.0
161.13261	15.7
163.14810	5.4
171.11673	5.8
173.13251	10.9
175.14799	5.5
179.14401	1.7
183.11707	1.8
185.13283	7.6
187.14851	11.4
199.14838	4.2
201.16418	3.5
203.17935	2.0
205.15852	2.6
215.18079	2.0
241.19624	11.4
243.21095	2.9
257.18997	2.2
259.20590	23.0
261.22122	8.3
269.17395	2.4
275.20154	2.4
277.21594	14.5
293.21237	3.2
314.28076	2.0
317.24789	1.9
333.24271	18.1
335.25781	100.0
336.26245	2.5
337.27365	1.7
351.25317	34.7
352.25644	2.0
529.38867	4.6
593.45569	3.6
596.26434	2.0
611.46655	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	0.7
61.02933	2.2
67.05508	2.5
69.03432	1.6
69.07082	0.5
72.57276	0.5
73.02921	2.0
79.05493	3.1
81.03415	0.8
81.07065	6.1
83.08636	0.9
85.02916	2.5
91.03969	1.1
91.05492	2.2
91.40876	0.5
93.07052	2.3
95.04987	0.8
95.08604	1.0
96.19862	0.5
97.02906	2.4
98.05474	0.6
99.08066	0.7
101.02383	1.2
105.07001	1.4
107.04989	1.5
107.08623	1.3
109.06536	1.5
109.10279	0.8
117.06989	0.7
119.08597	1.0
131.08545	0.6
133.10133	1.5
143.08661	0.7
145.10147	0.9
149.09644	1.0
151.11185	0.6
161.09695	1.2
171.08171	0.6
184.07365	1.2
185.04416	0.7
233.72510	0.6
243.08423	1.3
262.44446	0.5
265.10565	1.4
313.17764	1.7
369.20410	1.2
483.18396	5.5
531.25616	6.1
567.23401	1.2
773.37219	1.9
809.34753	100.0
810.35425	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	809.3487
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02940	2.0
67.05511	2.1
69.03432	2.3
70.70718	1.1
73.02930	1.8
79.05509	1.7
81.03416	1.0
81.07064	5.9
85.02913	1.6
91.03983	2.2
91.05505	2.8
93.07058	2.0
95.08626	1.3
97.02911	1.9
101.02393	1.2
105.07035	1.8
107.04963	1.8
107.08598	1.2
109.02911	1.0
109.06500	2.3
109.21722	0.7
119.08641	1.2
127.03923	1.9
131.08551	1.0
133.10165	1.9
135.11674	0.7
143.08646	0.9
161.09598	1.5
184.07378	1.4
185.04335	1.1
189.09154	0.8
203.05161	0.9
243.08603	1.6
265.10443	1.7
313.17908	3.0
356.48758	0.8
369.20630	1.0
483.18390	6.9
531.25476	6.1
554.79431	0.9
567.22998	1.0
604.15936	0.8
622.27496	1.0
689.33490	0.8
773.37097	2.1
809.34747	100.0
810.35327	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06614	0.5
60.08163	8.1
67.05526	0.3
71.07377	4.6
81.07066	0.3
86.09705	38.0
87.10043	0.7
91.05470	0.4
98.98465	3.9
104.10744	3.2
125.00001	25.9
126.00297	0.3
164.48372	0.3
184.07336	100.0
185.07709	2.0
186.07867	0.5
197.71281	0.2
288.77322	0.2
379.20847	0.3
518.32318	0.3
565.08868	0.2
623.16370	0.3
752.48059	0.6
792.51215	0.7
810.52771	3.6
811.52185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	0.2
57.03439	2.1
61.02932	1.4
63.27363	0.2
69.03426	3.1
69.78148	0.5
71.01356	0.4
71.04983	0.3
73.02914	4.7
77.03932	0.3
81.03413	0.7
85.02905	12.9
87.04465	0.3
91.03954	0.7
97.02892	7.0
98.23346	0.2
99.04458	0.6
103.05466	0.3
104.62588	0.1
109.02864	1.6
115.03934	4.3
127.03916	5.6
130.06525	100.0
131.06873	1.6
133.04958	1.0
145.04962	7.2
153.44106	0.2
156.08073	0.5
157.11215	0.2
158.06017	2.6
163.03908	0.2
163.06012	4.3
172.07550	0.5
176.07066	2.7
180.08131	0.2
184.07585	1.6
193.04956	0.2
208.07553	0.3
210.05540	0.4
223.06053	0.4
226.08612	1.3
230.08174	0.2
238.08647	0.8
241.07095	0.8
248.66634	0.1
254.08116	9.5
255.08450	0.3
256.09674	0.6
259.08148	1.7
274.10626	0.2
277.09354	0.2
284.09000	0.2
289.09131	0.7
292.11896	0.6
295.10236	8.3
296.10754	0.2
302.10190	1.2
313.11353	0.2
320.11273	22.7
321.11584	0.5
325.11288	10.8
396.07404	0.2
457.15543	0.3
482.16708	0.3
512.15802	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	811.3649
Annotation	RA IX
Peak:m/z	Relative Intensity
58.76090	0.7
61.02930	2.8
61.47539	0.7
67.05518	2.9
69.03441	1.7
73.02911	1.8
79.05510	2.6
81.03456	1.0
81.07066	4.8
85.02930	1.8
86.09719	1.2
91.05509	1.5
93.07050	2.6
95.05006	0.7
95.08646	1.1
97.02908	1.5
99.04547	0.9
101.02415	1.2
104.10735	0.9
105.07056	1.6
106.47435	0.7
107.04965	1.2
107.08594	1.0
109.06546	2.2
117.07081	0.8
121.10160	1.8
127.03979	1.2
131.08546	1.3
131.38493	0.9
135.11743	1.4
145.10205	1.2
146.47656	0.8
149.09708	1.2
163.11246	1.6
184.07399	1.3
197.68616	0.8
227.34389	0.9
243.08405	1.5
267.12140	1.6
313.17706	1.8
369.20633	0.9
427.56842	0.8
467.19321	0.9
485.20065	5.1
531.25378	4.8
748.47754	0.9
775.39423	2.7
811.36346	100.0
812.36426	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	811.4971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.7
69.03431	5.0
81.07008	7.3
87.12524	5.1
95.08624	5.6
98.23466	16.4
107.80015	4.8
247.31088	4.6
279.77698	4.9
315.19449	5.1
385.70444	5.7
533.26965	7.2
592.62878	5.5
771.35986	7.6
811.49811	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07064	4.1
57.17820	1.1
60.08166	6.3
60.11307	1.2
61.23449	1.5
67.05500	2.9
69.07069	1.7
69.34315	1.2
69.43082	5.0
69.43447	2.3
71.07369	4.8
71.08624	3.7
81.07059	2.2
83.08630	1.5
85.10190	1.4
86.09711	33.3
95.08601	2.6
98.98468	1.8
104.10753	100.0
105.11102	1.5
125.00006	6.9
146.98178	14.0
158.34097	1.2
184.07347	27.8
184.08887	2.2
313.27353	8.6
459.24835	32.1
518.32233	73.0
519.32635	2.7
544.33405	2.0
729.87598	1.5
753.44891	3.1
812.52209	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	812.5435
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08160	6.8
67.05511	0.7
69.40165	1.9
71.07376	5.2
72.08139	0.7
79.05459	0.5
81.07021	0.7
86.09705	38.5
91.05494	0.4
98.98445	4.9
104.10735	2.5
125.00003	27.4
143.01105	0.5
164.81961	0.4
184.07339	100.0
185.07664	1.2
243.01752	0.4
329.33429	0.4
436.31326	0.4
459.66296	0.4
465.75504	0.5
571.34430	0.5
629.44635	0.5
672.42297	0.4
753.43384	0.5
794.52795	1.2
812.54694	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	812.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57818	0.6
58.06606	1.2
60.08167	5.6
67.05508	0.6
69.21153	4.1
71.07380	4.9
86.09711	37.3
90.22758	0.7
98.98466	3.7
104.10755	2.6
113.11012	0.7
125.00008	22.8
132.49062	0.7
184.07352	100.0
217.53448	0.6
229.06805	0.9
629.47839	0.9
716.82220	0.8
721.41168	0.8
729.72449	0.8
753.45453	1.6
812.53949	7.4
813.52911	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96015	6.7
60.08165	8.8
61.02925	9.7
67.05491	17.3
68.67049	7.1
69.17734	21.2
69.18163	25.5
79.05495	7.4
85.02922	6.8
86.09713	40.7
91.05500	7.0
98.22723	17.9
107.08652	8.0
125.00018	27.0
149.15547	7.7
184.07370	85.9
185.07719	9.5
262.64276	7.7
656.33032	7.3
777.15833	9.5
813.51410	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.6237
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07909	0.5
60.08167	5.4
70.37453	1.2
71.07361	1.9
80.00589	0.4
86.09709	29.6
98.98460	2.0
99.01045	0.5
104.10748	3.7
105.07059	0.5
125.00007	19.6
127.79279	0.5
156.66536	0.4
184.07347	100.0
185.07713	0.6
305.46686	0.4
319.59833	0.6
500.31500	2.3
518.24774	0.9
518.32465	18.9
519.32843	0.7
686.87042	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	0.6
69.03408	0.4
69.80152	0.4
69.80482	0.8
79.05515	0.4
79.79540	0.3
80.04984	0.5
81.03437	0.7
82.06552	0.5
85.02885	0.5
89.03924	0.4
91.05481	0.5
93.07047	0.8
94.06554	1.5
95.04973	0.4
95.07376	0.9
96.08136	2.7
97.02888	0.8
98.22738	0.6
98.99594	0.3
103.05461	0.4
106.06529	0.6
107.07336	0.6
108.08137	3.2
110.09684	3.6
116.04995	1.9
120.04455	0.5
120.08117	3.5
122.06022	5.0
124.07587	3.5
127.03895	0.4
129.06908	0.3
132.04420	0.5
136.06575	0.6
136.07574	7.1
138.09143	5.5
144.04451	4.6
146.06059	2.4
148.07607	2.0
150.05496	1.4
150.09164	0.9
152.07072	1.1
153.06932	0.5
155.07281	0.3
155.08554	0.6
158.05968	0.4
160.03963	1.9
161.07108	0.4
162.05470	3.1
165.09151	0.8
166.08656	9.0
167.07065	0.4
170.09660	1.8
172.03938	28.7
172.07483	0.8
172.09901	0.5
172.11243	0.8
173.04482	0.5
173.08336	0.4
174.05479	1.2
174.09131	0.9
175.08693	1.4
183.06865	0.4
184.11195	0.5
186.11404	0.4
187.08614	0.4
187.12318	3.3
190.04982	7.0
192.06557	0.5
194.08078	0.5
197.08435	0.4
198.09149	18.3
199.09827	0.5
200.09402	1.4
200.10750	1.2
201.13873	0.7
204.06573	47.3
205.06911	1.0
210.09058	0.4
212.10776	4.3
213.10187	0.7
215.11806	16.7
225.10194	1.5
226.08655	5.8
226.10818	0.6
227.08244	0.8
227.11743	1.8
228.08917	0.5
229.09737	0.5
229.13423	0.5
231.11255	0.9
236.09254	0.5
239.11871	0.9
240.10339	2.8
241.09680	1.9
241.13364	1.3
242.10417	1.8
243.11296	91.3
244.11642	1.9
251.11722	0.5
253.09604	0.4
255.11313	8.3
256.12149	0.8
257.12830	4.8
265.09766	0.5
267.11331	0.5
269.09164	1.2
278.10596	0.4
279.11246	1.2
283.10901	0.9
284.11462	0.7
285.12344	83.8
286.12805	1.6
297.12292	2.0
298.13080	0.9
301.11819	6.3
302.12427	0.8
303.13400	100.0
304.13690	2.3
307.10797	0.8
313.11722	0.4
315.09927	0.5
325.11807	7.7
329.14902	0.7
339.13177	0.4
343.12921	1.0
357.14484	10.1
358.15308	1.4
359.16043	1.2
385.15848	0.5
418.17618	1.2
428.15778	0.8
429.14362	0.6
430.17667	0.9
435.80377	0.4
456.15134	0.5
462.16690	1.7
470.17001	1.9
474.16580	2.4
476.18225	3.4
487.17001	1.6
488.17960	0.9
494.19452	2.2
506.19199	0.6
519.19696	0.5
520.20966	0.4
583.25702	3.6
599.24799	1.5
609.22961	1.2
627.24524	12.7
628.24933	0.5
628.75293	0.4
641.25989	9.9
642.26208	0.5
659.27185	2.3
803.31000	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47085	0.8
81.03408	0.8
89.03914	0.6
94.06572	0.8
95.04987	0.8
96.08129	1.6
108.08121	1.7
108.17689	0.7
110.09678	2.4
116.04977	1.2
120.08111	1.9
122.06024	4.1
124.07570	1.6
136.07587	5.8
138.09149	3.8
144.04431	4.2
146.06013	1.7
150.05446	1.8
160.03975	1.1
162.05495	2.0
162.09128	0.8
166.08638	6.2
170.09619	1.7
172.03947	23.0
172.11330	1.1
174.05470	0.9
175.08650	0.8
181.04933	3.4
183.06697	0.8
187.12337	2.4
190.04956	3.4
196.07811	0.8
198.09143	17.0
198.10983	0.8
200.09311	1.5
200.10913	0.8
204.06569	41.0
212.10764	3.3
215.11800	13.8
225.10078	1.6
226.08623	5.3
227.08131	1.0
227.11784	1.4
227.53708	0.7
228.08916	0.7
229.09737	0.8
235.09723	0.9
240.10172	2.8
241.09753	1.1
241.13356	0.7
243.11288	77.5
244.11548	1.7
255.11301	5.4
257.12833	4.6
269.09216	0.8
283.10571	0.9
285.12332	73.3
286.12537	1.7
297.12033	0.9
301.11829	6.4
303.13385	100.0
303.99585	0.8
304.13641	1.9
325.11755	4.1
357.14447	10.8
358.15244	0.9
359.15930	1.9
372.38330	0.7
415.13971	1.8
416.15527	0.8
418.17535	0.9
462.16412	2.0
474.16653	1.4
487.16858	1.2
494.19189	3.5
506.19177	1.0
519.19055	1.2
524.20483	1.1
583.25500	5.2
599.24664	2.4
623.39362	0.7
627.24463	20.6
628.24622	1.0
659.26929	2.8
821.28821	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5368
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	11.5
65.03938	3.2
67.05506	46.3
69.07077	14.5
70.46986	4.0
71.05007	2.7
77.03919	2.5
79.05497	39.0
81.03409	2.7
81.07059	55.6
83.04996	6.0
83.08627	6.8
85.06561	4.0
86.09708	2.5
91.05484	50.8
93.07041	45.0
93.07596	2.8
93.28107	1.8
95.04956	9.8
95.08607	30.7
97.06543	6.2
97.10162	3.7
99.04478	4.6
99.08109	2.8
105.04547	2.7
105.07028	45.6
107.04973	5.9
107.08591	27.5
109.06538	12.6
109.10154	13.5
111.08133	3.0
117.07043	15.8
119.08589	42.8
121.06541	2.6
121.10149	19.2
123.08074	6.1
129.07013	3.8
131.08571	27.8
133.10135	31.7
135.08051	4.1
135.11726	9.3
141.32733	1.9
143.08583	6.1
145.10118	16.4
147.11716	16.4
149.09599	3.2
149.13316	2.3
157.10188	5.8
159.11697	14.7
161.13327	9.3
171.11659	3.3
173.13301	7.8
175.14903	3.3
177.12712	2.8
184.07393	3.0
185.13309	7.3
187.14790	2.4
203.14348	3.4
211.13199	1.9
219.17450	100.0
230.47501	2.1
241.19545	9.6
257.18997	4.9
259.20557	15.3
265.17831	2.0
273.18344	3.5
275.20032	27.0
282.83878	2.4
289.17865	2.3
291.19675	3.3
293.21121	2.4
315.23172	7.8
333.24249	42.7
335.25793	14.5
349.23758	25.6
365.23480	3.2
541.39258	2.3
607.43591	73.8
608.44098	3.9
613.84174	2.5
625.35010	1.9
625.44385	13.6
642.44910	2.7
643.45251	4.4
660.45697	3.7
684.98157	2.3
772.87677	2.3
778.42316	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	824.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.4
65.95466	0.7
67.05522	1.0
70.06582	1.5
75.04476	1.8
78.04700	1.2
79.05486	4.2
81.03434	1.8
81.07074	1.0
81.69534	0.8
82.04208	1.0
85.02901	3.1
89.06014	0.8
89.49410	0.8
89.79848	0.8
91.05488	7.3
93.03405	7.5
93.07050	3.2
95.04983	4.9
97.06548	1.4
102.97414	0.8
103.05466	13.9
105.03350	1.3
105.07045	3.5
106.04176	13.3
107.04953	7.1
109.06521	1.0
110.03648	1.6
111.04411	0.8
115.05451	2.8
117.07028	3.0
118.04172	2.6
119.04919	1.1
120.05803	0.8
121.06506	17.1
123.04385	1.8
124.05223	1.9
125.05982	5.2
129.07016	1.3
131.04950	12.0
131.05925	1.3
132.05708	1.5
133.06502	4.5
134.03639	3.1
135.07986	1.2
137.05989	3.7
139.07559	1.8
141.07010	0.9
144.05692	1.3
145.02893	1.3
145.06465	3.2
147.08084	1.7
148.05214	7.4
149.05981	29.0
151.03918	1.9
151.07549	1.6
152.04672	0.8
153.05496	2.7
153.09102	7.2
157.06447	1.2
159.08080	1.1
161.05980	5.2
163.03912	2.1
163.07553	13.1
165.05524	1.3
167.07036	31.5
171.06525	1.5
173.05965	4.7
173.82632	0.9
174.06686	0.9
175.07545	2.7
176.04727	1.7
177.05478	18.6
179.07132	1.4
181.04956	43.0
181.08565	16.2
187.07567	2.5
191.07030	54.1
192.07343	1.0
193.04976	1.0
193.08592	3.1
195.06537	3.2
201.05420	1.5
203.07021	2.0
205.08578	3.2
207.06494	1.6
207.10141	1.0
209.08087	100.0
210.08366	1.2
217.08585	2.7
217.69106	0.9
219.10194	3.6
221.08058	1.6
233.08066	2.0
235.09673	4.1
245.08104	1.5
263.09158	13.4
267.10211	1.9
281.08002	1.0
307.09354	1.1
357.13193	2.4
369.13190	1.0
370.69208	0.8
385.12735	5.4
387.14151	1.3
398.86844	0.8
399.14255	1.2
401.15714	1.2
417.15405	25.0
418.15851	1.3
469.98273	1.0
473.18063	1.5
575.68488	1.1
579.20581	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	824.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	3.7
69.03431	6.2
70.04809	2.2
70.62231	3.3
71.04966	1.8
79.05492	4.5
81.03439	12.0
82.64710	2.1
85.02905	20.3
91.05482	11.1
93.03414	2.6
93.07076	6.2
95.04981	7.3
97.02917	3.9
97.06549	2.1
102.21912	1.9
103.05475	17.6
105.04511	2.5
105.07026	19.7
106.04190	2.9
107.04970	7.2
109.02891	2.3
115.05459	8.3
117.07031	3.1
121.06513	18.8
123.04437	4.0
124.05223	3.1
124.91998	2.0
125.06001	3.0
127.03953	6.0
131.04938	11.3
133.06494	22.1
137.06003	4.6
138.05553	2.1
138.09134	2.1
140.04721	2.1
141.82814	2.1
143.06032	2.7
144.05769	2.9
145.02951	3.2
145.04980	5.4
145.06494	6.2
147.04321	2.2
148.05190	4.4
149.05989	33.2
150.40311	2.0
151.03934	2.9
151.07513	3.7
152.34042	2.2
153.05513	3.0
159.04480	2.6
159.08101	3.1
161.05981	21.7
163.07565	15.3
166.08681	5.0
167.07047	69.7
173.06020	7.5
175.07553	2.1
177.05469	15.0
181.04961	47.0
181.08592	29.1
183.06610	2.7
187.07571	3.0
190.04927	2.1
191.07033	58.2
193.08606	84.7
203.07002	2.2
204.06487	2.3
205.08653	8.0
209.08087	100.0
217.08595	3.8
219.10220	3.5
235.09651	12.1
263.09183	13.0
265.10913	2.5
267.10220	3.6
295.11743	4.0
371.13458	4.8
385.12973	5.8
399.14752	3.8
405.80075	1.9
417.15475	15.4
506.19547	2.9
507.19730	6.6
538.21576	2.6
539.22058	2.7
609.23016	3.2
612.25836	2.6
754.91937	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	824.552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	8.8
67.05502	97.0
68.69191	5.4
69.03430	6.5
69.07049	25.6
75.09657	5.6
78.27840	5.6
79.05492	64.6
81.03400	13.0
81.07054	100.0
83.04981	11.0
83.08605	19.3
86.09702	14.9
89.56991	5.6
91.05476	53.3
93.07045	88.9
93.86939	6.2
95.04960	12.9
95.08606	65.2
97.06558	6.4
97.10188	7.6
98.23511	11.6
99.08059	5.8
105.07027	47.7
106.72509	5.3
107.08606	42.6
109.06558	6.7
109.10145	31.6
112.64800	5.0
117.07030	26.5
119.08602	41.7
120.04958	5.7
121.10143	35.1
123.08047	6.0
123.11671	11.4
129.06984	9.5
131.08565	26.2
133.10188	28.4
135.11708	18.5
143.08508	6.2
145.10117	23.5
147.11664	15.6
149.13184	7.7
159.11674	18.6
169.10088	9.6
171.11691	12.4
173.13239	11.8
184.07335	46.8
219.17482	8.0
220.73547	5.2
228.81169	6.0
229.14406	10.6
251.77545	6.9
261.22260	6.3
275.20023	16.2
309.20596	8.0
333.07315	7.3
335.25772	88.4
349.23697	24.3
489.36316	6.6
529.38940	7.3
569.42236	38.7
609.45172	19.2
735.74731	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	824.5515
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50196	3.3
58.88729	3.6
60.08172	4.9
61.02935	3.9
65.03925	3.7
66.19905	3.3
66.42683	3.5
67.05506	92.7
68.91020	4.1
69.07066	27.4
71.04988	4.3
71.08614	3.9
71.46630	4.4
79.05495	84.0
80.79279	3.8
81.03411	5.7
81.07056	86.6
82.07399	4.0
83.04970	6.7
83.08630	15.6
85.02900	3.8
85.06563	6.0
86.09715	30.0
91.05477	84.2
93.07046	100.0
93.07603	6.8
95.04961	17.8
95.08607	74.9
97.02885	4.4
97.06515	13.8
97.10172	8.6
105.04541	6.9
105.07036	89.6
107.08591	55.2
109.06546	10.0
109.10175	27.8
111.08092	3.8
113.12315	3.7
115.05457	6.7
117.07005	34.1
119.08580	62.3
121.10155	45.9
123.11729	11.8
125.00014	16.1
128.06216	4.6
129.07025	11.0
131.08575	46.2
133.10144	43.4
135.08150	5.0
135.11690	31.5
136.74295	4.5
137.09673	5.1
139.11200	3.9
141.07005	6.1
142.07756	3.9
143.08551	23.3
145.10132	42.6
145.28680	3.7
147.11685	32.5
149.09601	7.6
149.13237	11.1
155.08519	6.8
157.10117	23.0
159.11697	36.8
161.13246	17.9
163.11136	4.6
169.10182	13.4
171.11711	15.1
173.13303	19.7
175.14867	12.2
183.11702	11.6
184.07346	73.2
185.13260	16.6
187.14844	16.7
193.93921	3.6
195.11694	6.4
197.13193	7.5
199.14825	6.8
203.17992	4.8
205.15802	6.4
207.66124	4.1
209.13312	4.5
213.16580	5.0
217.21783	3.4
239.17854	5.7
241.19514	17.2
256.14999	3.9
257.19037	15.1
259.20560	45.5
261.22229	10.4
275.20071	12.0
277.21613	33.7
293.21112	4.5
315.22995	5.3
331.22852	6.9
333.24274	67.6
334.24561	3.9
335.25793	28.7
349.23743	11.0
351.25296	47.7
527.37250	4.7
535.41418	8.3
555.40344	6.3
564.57849	4.1
591.44189	6.4
609.45013	82.6
610.45685	4.9
627.45703	16.9
641.43262	5.9
735.47687	4.8
765.42871	16.2
824.50787	19.7
825.47198	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20815	0.6
60.50565	0.7
61.02924	2.3
63.02328	0.7
65.03941	3.3
67.05502	67.9
69.03426	2.2
69.07066	24.1
71.01350	0.7
71.04997	3.5
71.08613	0.6
73.02921	0.8
73.06548	0.6
79.05489	46.9
81.03424	3.1
81.07053	100.0
82.07394	1.2
83.04977	5.5
83.08182	1.1
83.08625	11.7
85.02903	2.4
85.06541	2.6
86.09724	2.5
91.05477	38.5
93.07040	48.0
94.07373	1.1
95.04966	12.9
95.08606	42.4
97.02892	1.8
97.06516	7.8
97.10171	3.1
98.98465	0.6
99.08104	2.2
103.05459	0.8
105.04538	3.5
105.07024	32.8
107.04963	6.3
107.08588	27.0
109.06512	16.3
109.10150	16.0
111.04424	0.7
111.08078	4.0
113.06013	0.8
116.38337	0.6
117.07017	11.0
119.08576	23.1
119.09425	1.4
121.06525	3.5
121.09269	1.1
121.10141	22.5
123.08073	7.0
123.11723	7.8
125.00014	2.7
125.09625	1.8
127.07568	1.3
129.06982	3.9
131.08565	16.7
133.06477	1.8
133.10133	17.0
135.08063	3.4
135.11690	11.7
137.09628	2.9
139.11226	1.1
141.07002	1.2
142.07719	1.1
143.08548	4.0
145.10136	11.4
147.08051	1.7
147.11678	14.0
149.09581	5.7
149.13264	7.8
151.11185	2.9
155.08519	1.6
157.10135	2.9
159.08064	0.9
159.11693	8.7
161.09633	1.8
161.13226	4.2
163.11180	5.5
163.14827	2.7
165.12755	2.6
169.10179	1.3
171.11670	2.5
173.09625	0.9
173.13229	5.7
175.11211	2.4
175.14822	2.5
177.12740	0.9
179.14307	0.8
183.11699	1.7
184.07330	5.4
185.13275	1.3
187.11076	0.8
187.14813	1.8
191.14284	1.1
193.12291	1.6
195.13908	1.2
197.13275	1.1
199.14777	1.1
201.12770	0.8
203.14186	0.7
207.13811	1.1
215.14122	0.6
215.18008	0.8
229.19376	1.1
239.17918	1.8
243.21194	1.8
247.20561	3.1
257.19028	3.7
259.20648	0.8
261.22098	5.5
267.16025	1.8
275.20071	31.1
276.20477	1.2
291.19580	0.8
293.21060	11.1
317.24741	1.7
333.24332	1.0
335.25784	70.7
336.26202	3.1
349.23721	18.6
350.24097	0.8
367.24777	30.1
368.25021	0.8
486.51883	0.6
529.38953	1.1
535.41711	1.0
545.38147	0.8
553.42249	1.3
569.41742	2.0
609.45099	30.2
610.45209	1.2
627.46155	44.2
628.46124	1.9
760.49518	0.7
795.44867	0.9
824.51697	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	824.5521
Annotation	Unknow
Peak:m/z	Relative Intensity
65.87354	6.7
66.42191	4.9
67.05511	56.5
69.07074	15.3
69.29057	31.5
71.07374	8.7
79.05510	41.2
81.07056	49.3
83.08605	6.2
86.09711	54.6
88.69231	5.4
91.05489	35.0
93.07056	50.2
95.04982	12.8
95.08607	39.3
97.06551	9.9
97.10176	7.6
105.07014	29.7
107.08605	22.1
109.06551	10.9
109.10181	15.8
117.07021	11.9
119.08612	19.3
121.10175	18.3
131.08624	15.0
133.10123	14.5
143.08618	8.1
145.10199	13.5
146.98203	7.0
147.11682	12.7
149.09587	6.4
149.13174	5.4
151.11226	6.2
159.11729	6.4
171.21031	6.0
174.03275	5.1
184.07372	30.6
190.44803	5.4
227.12744	6.8
247.74432	5.7
257.19193	8.5
261.22076	7.2
275.20105	28.1
335.25787	66.7
349.23929	28.1
389.16919	5.4
418.91824	5.9
498.00919	5.8
609.45209	40.6
627.45856	11.7
641.35358	7.1
641.44012	65.4
698.21014	5.5
765.43048	100.0
766.42889	6.0
824.50415	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05050	0.7
61.02935	2.9
61.17892	0.5
65.98055	0.5
67.05502	4.1
69.03427	1.8
69.07076	1.0
73.02929	2.5
79.05491	3.7
81.03439	0.8
81.07066	5.3
83.08652	0.6
83.31129	0.5
85.02925	3.0
86.09718	1.8
91.03986	1.3
91.05479	4.3
93.07048	4.8
95.05009	0.9
95.08620	3.4
97.02898	2.7
97.10190	0.6
97.46639	0.6
98.23500	1.2
99.04481	0.8
100.04636	0.5
105.07034	3.8
105.40297	0.5
107.04964	0.5
107.08595	2.9
109.06549	1.1
109.10159	1.3
115.61111	0.5
117.07054	1.6
119.08580	3.0
121.06593	0.5
121.10173	2.0
122.10532	0.6
125.00029	0.7
127.03978	1.0
131.08640	2.2
133.10158	1.7
135.08113	0.8
135.11725	0.9
143.08656	0.7
145.10181	2.1
147.11711	0.7
148.62331	0.6
159.11740	1.3
184.05807	0.9
184.07326	5.2
185.13374	0.8
195.34215	0.5
219.17468	4.6
220.28494	0.5
243.08427	4.2
257.18936	0.7
275.20255	0.7
315.19400	3.7
316.70316	0.6
335.25964	1.9
336.26141	0.8
371.22217	1.8
533.27185	13.3
561.84271	0.6
610.45905	1.4
766.42548	0.5
825.47589	100.0
826.48108	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.5
67.05505	3.3
69.03439	1.6
69.07066	1.2
71.05003	0.9
73.02920	2.3
79.05499	3.5
81.03422	0.7
81.07047	3.8
83.04981	0.8
83.08615	0.6
85.02916	2.8
86.09721	2.0
91.03974	1.4
91.05489	2.4
93.07057	3.8
95.04985	1.3
95.08592	3.3
97.02898	2.3
101.02370	1.1
105.07034	4.1
107.04987	1.0
107.08625	2.0
109.02890	1.2
109.06535	2.7
109.10170	1.9
111.86893	0.6
115.40402	0.5
117.07052	1.4
118.75869	0.5
119.08585	2.6
121.06510	1.2
121.10179	1.5
123.19164	0.5
125.00038	1.4
127.03944	0.9
131.08601	2.1
133.10173	2.7
135.11710	1.3
145.10168	2.0
147.11708	1.1
149.09653	0.6
149.13367	1.2
151.11180	0.8
159.11714	0.7
161.13216	0.6
163.11188	1.0
173.09761	0.8
173.13258	1.0
184.07353	4.6
185.07587	0.6
229.14453	0.8
239.18193	0.8
243.08389	4.5
271.55981	0.6
275.20142	6.8
278.95566	0.6
305.19583	0.6
315.19254	3.5
371.22134	1.8
473.20102	0.7
533.08038	0.7
533.27246	22.8
534.27600	0.9
825.47571	100.0
826.47650	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	826.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.9
70.06617	1.2
78.04713	1.8
79.05477	3.8
81.99828	1.3
85.02888	2.5
91.05477	3.1
93.03413	3.4
93.07008	1.9
95.04958	2.8
97.06506	1.7
103.05466	12.4
105.07027	5.7
106.04176	6.9
107.04946	10.5
115.05468	2.0
117.07029	3.0
118.04144	5.0
119.04948	1.9
121.06495	7.4
123.04425	2.3
124.05215	2.1
125.06005	1.6
128.06215	1.7
129.07002	2.0
131.04942	17.8
132.05739	2.5
133.02869	1.4
133.06479	6.6
134.03571	1.5
134.99890	1.3
135.04419	1.5
135.08080	1.9
137.05972	1.3
139.07637	1.7
144.05688	3.0
145.06470	3.8
148.05206	10.8
149.05971	13.3
153.05519	2.2
153.09174	2.5
155.06041	1.7
156.05705	2.6
157.06451	2.4
158.07253	2.1
159.08040	6.2
161.05994	9.2
163.03851	5.6
163.07536	20.5
167.07042	26.7
171.06537	2.2
173.05991	5.9
175.07593	2.5
177.05457	9.5
179.06946	2.3
181.04953	29.8
181.08586	5.9
186.06781	2.0
187.07564	4.6
189.09120	4.6
190.06181	2.3
191.07028	100.0
193.08560	10.2
203.07057	1.9
205.08600	11.5
209.08086	36.7
216.07846	1.9
217.08620	13.3
218.07144	1.6
219.08035	3.6
219.10057	2.7
229.08723	1.7
231.08067	3.1
231.10168	2.7
233.09630	1.4
233.11736	2.9
235.07593	1.7
235.09566	1.7
247.07481	3.5
247.09703	7.1
248.08261	4.7
249.09035	2.8
249.11249	12.3
251.10597	1.6
261.09216	1.7
263.10687	2.7
264.07809	4.2
265.10880	3.3
269.08221	2.7
275.07007	1.6
276.07980	2.0
277.08527	3.7
279.10104	5.0
282.08917	1.6
290.09406	1.9
291.10080	5.1
293.08096	2.1
295.09543	1.9
299.09238	1.8
307.09595	5.8
308.10425	1.7
311.12799	1.8
315.08621	7.0
323.12711	3.1
330.10934	13.3
337.10748	3.4
339.12390	2.9
343.11707	3.8
351.12253	3.2
353.10089	3.2
359.14886	7.2
368.12524	4.3
369.13367	9.7
371.14737	5.7
383.14886	42.1
385.16568	2.4
387.14285	10.4
389.16193	1.9
401.15942	42.5
402.16345	1.8
419.17081	32.7
427.17535	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5164
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04995	2.3
60.08151	1.7
61.02937	7.2
65.03943	1.1
67.05508	42.7
69.03431	1.3
69.07072	4.1
71.04990	2.4
71.07416	0.9
71.08640	11.4
73.02921	2.7
79.05501	1.6
81.07059	10.5
81.65340	0.9
83.08633	8.1
85.02903	7.7
85.06532	2.2
85.10188	6.0
86.09715	5.4
91.03969	5.7
91.05486	3.3
93.07045	3.1
95.08607	11.2
97.02889	3.2
97.10171	1.7
107.08585	1.4
109.10162	44.2
111.08096	1.3
115.03970	1.0
119.08567	3.4
123.11668	1.7
125.00021	4.9
127.03910	2.4
137.09604	2.0
137.13214	1.0
138.78265	0.8
145.04924	4.4
146.39708	0.9
149.65318	0.9
155.10713	3.1
163.05994	4.5
173.11748	14.0
184.07356	26.2
229.14354	100.0
230.14650	1.5
239.23734	1.3
313.27377	75.3
314.27557	1.7
326.28894	0.9
356.06659	0.9
467.37354	66.7
468.37506	2.6
683.73785	1.0
826.47968	11.7
827.48804	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
60.63258	0.5
62.12865	0.5
65.87655	0.5
69.21602	2.5
70.06593	0.6
72.08147	1.0
81.03374	0.5
154.15187	0.5
176.04498	0.6
181.05092	0.6
185.04211	2.9
203.03169	1.4
204.04070	0.7
217.04836	1.1
231.06401	1.7
287.08978	1.2
367.10303	1.5
394.13959	1.9
401.11176	0.6
409.12799	1.3
421.12299	2.8
423.14532	0.9
425.12112	2.0
439.13815	1.8
440.14502	1.3
449.14124	4.2
514.14441	0.6
559.17761	1.3
573.19342	2.8
583.18005	2.0
587.17419	3.5
601.18976	6.2
602.19659	18.7
603.20337	5.0
665.22552	1.4
797.26392	1.6
827.27301	100.0
828.27112	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	4.0
67.03284	0.4
67.03858	0.4
67.05512	3.2
69.03434	3.3
69.07062	1.1
71.50689	0.4
73.02917	2.9
77.00750	0.4
79.05492	4.2
81.03436	1.0
81.07064	3.2
82.24998	0.4
83.08647	0.6
85.02906	3.1
85.06571	0.4
86.09733	1.3
91.03971	1.3
91.05484	5.2
93.07040	4.1
95.04989	0.9
95.08600	3.0
96.68183	0.5
97.02901	3.5
99.04475	0.6
101.02412	1.8
105.07009	2.9
107.08601	2.9
109.06559	0.9
109.10170	1.0
111.08099	0.5
117.07014	1.0
119.08560	2.9
121.10187	1.1
125.00074	0.4
127.03944	0.5
128.04578	0.4
129.07004	0.6
131.08614	1.2
133.10164	2.3
135.08154	0.5
135.11734	0.7
143.08644	0.5
145.10100	0.9
147.11671	0.7
157.10147	0.5
159.11771	0.6
184.07376	3.6
219.17595	1.3
243.08389	2.3
315.10666	0.5
315.19299	2.1
321.59308	0.5
517.74268	0.4
533.27301	5.6
535.28815	4.5
587.79968	0.4
827.49133	100.0
828.49335	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.0
65.03947	0.5
66.29436	0.4
67.05502	5.7
69.03435	3.7
69.07085	0.9
71.01352	0.7
71.04984	0.6
73.02911	3.8
78.92780	0.3
79.05490	5.2
81.03433	1.2
81.07055	7.3
83.05008	1.0
83.08626	0.8
85.02907	5.8
86.09721	1.0
87.04461	0.5
91.03951	3.8
91.05479	2.2
93.07052	4.6
95.04986	2.3
95.08608	4.0
97.02895	5.1
99.04460	1.1
101.02393	1.8
103.03989	0.6
105.07032	1.8
107.08609	2.6
109.02874	1.0
109.06541	1.1
109.10191	1.5
111.04485	0.7
113.06036	0.8
117.07056	0.6
119.08620	1.3
121.10159	1.6
123.08109	0.6
123.11761	0.6
125.00021	0.9
127.03928	1.8
131.08611	0.9
133.10213	0.7
135.08076	0.5
135.11748	1.7
145.10136	1.0
147.11694	0.5
149.09694	0.4
149.13345	0.4
159.11659	0.4
163.14873	0.6
184.07356	3.4
185.04248	0.9
185.07767	0.4
243.08415	2.6
291.19525	0.5
331.18753	6.0
335.25534	0.7
357.65741	0.4
387.21524	0.9
519.29352	7.7
549.26709	4.9
827.49091	100.0
828.49396	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	827.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.4
67.05507	6.9
69.03429	4.2
69.07075	1.8
71.01347	0.7
71.04977	0.5
71.07426	0.5
73.02922	4.2
76.59834	0.5
79.05485	6.6
79.05886	0.6
81.03430	1.5
81.07056	9.4
81.07498	0.7
83.04999	1.1
83.08655	0.6
85.02911	7.1
85.06562	0.6
86.09724	0.9
91.03960	3.5
91.05485	3.8
93.07049	4.9
93.66116	0.5
95.04987	1.6
95.08598	4.0
97.02898	5.6
97.06563	0.9
97.10134	1.2
99.04501	2.0
101.02408	2.2
105.07034	2.4
107.04991	0.7
107.08607	3.4
109.06516	3.5
109.10184	1.7
111.04472	1.4
113.05972	1.2
115.48148	0.5
117.07015	1.0
119.08631	2.1
121.10190	2.4
121.10981	0.5
123.08082	0.8
125.00033	0.7
127.03971	1.5
129.07034	0.7
131.08611	1.4
133.10162	1.5
135.08043	0.7
135.11728	2.1
145.10130	1.6
147.08105	0.8
147.11755	0.6
153.12799	0.6
157.10181	0.6
161.09537	0.5
163.11186	0.8
173.13358	0.5
175.11081	0.5
184.07414	2.0
184.43028	0.5
185.04280	1.6
196.79797	0.4
203.05292	1.0
243.08475	4.0
273.18625	0.7
275.26865	0.5
291.19666	0.7
301.17978	0.8
317.30255	0.5
331.18793	6.9
335.25909	0.9
387.21390	2.4
406.53107	0.5
519.29260	6.8
540.51837	0.5
549.26721	10.9
549.34772	0.9
717.83728	0.5
723.91589	0.5
814.54877	0.6
827.49097	100.0
828.49579	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	3.0
65.03960	0.3
67.05505	3.1
69.03432	2.0
69.07079	0.7
70.73516	0.4
71.01369	0.3
71.05002	0.3
73.02917	2.2
79.05485	2.6
81.03419	1.1
81.07057	3.2
82.47261	0.2
83.01354	0.2
83.05002	0.3
83.08634	0.3
85.02908	3.1
85.03347	0.3
87.04479	0.4
91.03959	2.1
91.05489	1.6
93.07047	2.6
95.04974	0.5
95.08603	2.2
97.02899	3.2
97.06529	0.3
99.04473	0.5
101.02385	1.1
103.03994	0.3
105.07001	1.1
107.08595	1.6
109.02873	0.4
109.06521	0.3
109.10172	0.9
115.03952	0.5
117.07022	0.3
119.08607	0.9
121.10139	1.3
123.11726	0.3
127.03935	0.9
131.08633	0.8
133.10161	0.6
135.11737	0.8
145.04996	0.3
145.10153	0.5
147.11757	0.3
149.13303	0.3
161.13275	0.3
173.13263	0.3
184.07292	1.2
185.04214	0.4
185.07866	0.2
194.93958	0.2
203.05267	0.2
243.08376	1.9
333.20322	3.3
335.25839	0.5
479.22330	0.3
519.29236	4.8
519.36334	0.3
551.28223	2.2
667.45276	0.3
829.50659	100.0
830.50958	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	829.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.2
61.42693	0.3
62.86428	0.4
67.05508	4.1
69.03425	2.7
69.07082	0.9
70.63793	0.3
71.05014	0.3
73.02921	3.7
79.05494	3.5
81.03434	1.4
81.07058	5.2
83.08629	0.8
85.02910	5.1
87.04470	0.4
90.82645	0.3
91.03950	2.7
91.05490	2.0
93.07040	3.7
95.05000	0.9
95.08610	3.2
95.38024	0.3
97.02888	4.2
97.10172	0.6
99.04481	0.7
101.02404	1.1
105.07031	1.6
107.08578	1.6
109.02931	0.6
109.10183	1.0
115.03976	0.4
117.07057	0.6
119.08613	1.0
121.06536	0.4
121.10165	1.6
127.03967	1.0
131.08614	1.0
133.10193	0.7
135.11745	1.2
145.10147	0.7
147.11687	0.4
149.13269	0.3
159.11668	0.5
163.11269	0.3
185.04323	0.4
218.27753	0.3
224.28905	0.3
243.08380	2.0
333.20316	2.0
335.25940	0.4
393.04651	0.4
519.29291	6.5
519.36426	0.5
526.86798	0.4
551.28223	3.1
642.50385	0.3
684.99884	0.4
829.50690	100.0
830.50970	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	829.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08158	2.4
60.59774	0.4
60.63710	0.4
61.02927	5.4
65.03944	0.5
67.05511	5.8
69.03419	3.1
69.07073	2.0
69.15841	0.5
69.53347	1.5
71.01363	0.7
71.04980	0.6
71.07374	1.0
73.02909	4.5
75.31792	0.4
75.58743	0.4
76.43900	0.4
79.05496	7.2
81.03426	1.2
81.07056	5.6
83.05004	0.6
83.08640	0.7
85.02908	4.7
86.09703	8.6
86.10214	0.5
87.04475	0.5
87.10056	1.3
88.90523	0.5
91.03960	3.8
91.05466	4.6
93.07047	8.2
95.04976	1.4
95.08611	3.7
97.02893	5.0
97.06536	0.6
98.23476	0.8
98.98457	1.0
99.04481	0.9
101.02394	2.1
103.03972	0.5
104.10750	0.7
105.04517	0.6
105.07037	5.1
107.08593	4.1
109.10171	1.1
115.03968	0.5
117.07057	1.2
119.08579	3.5
121.06544	0.5
121.10162	2.2
125.00009	5.6
127.03966	1.7
127.25806	0.4
129.05499	0.5
129.07027	0.5
131.08594	1.2
133.10149	2.6
135.11711	1.3
143.08594	1.1
145.10182	1.7
147.11743	1.8
149.13297	0.7
159.11760	0.9
161.13374	1.1
171.11800	0.6
174.49535	0.5
184.07349	24.6
185.04301	1.9
185.07747	3.3
243.08406	4.2
259.20703	1.0
301.08884	2.4
315.10681	0.8
317.21088	1.4
333.24374	0.6
369.16061	0.4
373.11386	0.6
373.23624	0.7
385.18497	0.8
397.18558	0.6
465.20834	2.0
519.29614	0.9
522.21716	0.4
525.22858	1.4
535.28790	13.0
536.29016	0.7
607.31171	1.8
635.34332	0.6
762.95355	0.5
829.50708	100.0
830.50989	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	829.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	4.1
67.05507	5.0
69.03443	3.0
69.07082	1.8
71.04999	1.0
73.02929	3.1
79.05508	4.9
81.03421	1.1
81.07067	3.9
83.08595	0.8
85.02889	4.8
85.78423	0.7
86.09715	1.7
91.03984	2.3
91.05495	3.6
93.07043	5.7
95.08630	3.4
97.02890	4.3
99.04476	1.3
99.63771	0.8
101.02399	2.0
105.07060	2.9
107.08612	2.4
117.07034	1.1
119.08625	2.9
121.10159	1.7
124.99993	1.0
127.03936	1.2
131.08641	1.0
133.10150	2.0
135.11713	1.1
145.10179	1.0
147.11742	1.0
184.07355	7.4
185.07658	1.0
196.43787	0.7
226.49591	0.8
243.08543	3.5
317.20877	1.8
373.23682	0.9
400.35938	0.8
415.81253	0.8
427.65500	0.9
535.28687	12.3
706.58368	0.9
829.50708	100.0
830.50421	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	831.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	5.3
61.47027	0.6
61.87264	0.5
67.05502	5.7
69.03432	3.7
69.07060	0.9
71.07361	0.7
71.08653	1.3
73.02908	4.1
75.10555	0.5
81.03421	1.3
81.07057	1.5
85.02914	6.1
85.10184	1.0
86.09715	6.4
91.03952	3.8
91.05495	0.6
93.07044	0.6
95.08627	1.8
97.02908	5.6
99.04470	1.5
101.02405	2.2
103.03944	0.6
109.02893	1.2
109.10147	5.1
115.03944	0.9
119.08605	0.8
120.93788	0.7
125.00021	2.2
127.03926	2.0
146.98238	0.7
163.01573	0.6
168.61288	0.6
173.11789	1.5
184.07346	9.9
185.04272	1.1
185.07753	1.2
229.14366	0.8
243.08435	1.4
243.65369	0.6
313.27371	0.9
347.09503	2.7
365.10629	0.7
405.13629	5.6
413.17856	9.2
497.30725	6.1
575.23120	9.6
579.39111	0.6
627.03723	0.7
648.49524	1.4
659.36078	4.9
669.41919	3.4
772.48065	3.3
815.23871	0.7
831.46899	100.0
832.47229	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	832.396
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	2.1
65.03934	0.9
67.05504	7.3
68.99787	1.0
69.03430	10.1
69.04584	0.4
69.07069	3.1
69.17822	0.5
70.48778	1.0
71.04971	1.2
73.02901	2.1
77.03915	0.5
79.05488	5.7
81.03419	8.9
81.07055	31.2
82.07364	0.6
83.08616	3.4
85.02905	22.2
87.00824	9.5
91.03938	1.0
91.05471	7.3
93.07044	11.2
95.04955	0.7
95.08605	20.6
97.02895	11.5
97.10164	2.6
99.04469	4.3
105.01859	13.6
105.06348	1.0
105.07024	16.2
107.07921	0.9
107.08598	12.4
107.20141	0.6
108.04446	0.9
109.02876	9.1
109.10161	10.2
111.11713	0.7
115.03931	1.0
117.01821	1.1
117.07015	3.6
119.08576	10.1
120.51949	0.5
121.10140	13.2
122.10453	0.6
123.11716	5.4
126.05505	0.5
127.03914	20.3
129.01839	1.1
129.06993	1.8
130.07701	0.5
131.08559	9.4
133.10124	23.8
134.10455	0.6
135.11694	10.6
137.13271	1.6
143.08548	1.9
143.12064	0.5
144.09366	0.6
145.04944	7.8
145.10124	11.9
147.02875	0.8
147.11684	15.9
149.13243	15.0
151.14844	1.0
157.10146	3.2
159.02899	4.7
159.11691	19.4
160.12138	0.6
161.04405	0.7
161.13255	12.2
161.14525	1.1
161.83864	0.5
163.14847	4.5
165.16406	0.7
171.11697	2.9
173.13251	11.3
175.14828	7.8
177.16402	1.1
185.13222	2.6
187.14818	8.7
189.03911	0.6
189.16400	4.4
199.14813	2.7
200.15614	0.7
201.16351	5.9
203.17964	4.4
213.03911	3.6
213.16393	6.0
215.17947	6.6
217.19543	1.4
225.16554	0.6
227.17996	5.4
229.19464	1.2
231.04993	9.1
241.19508	2.3
247.04495	0.6
249.06007	5.1
252.57048	0.6
255.21025	1.2
257.22668	1.3
265.05649	0.6
266.08661	0.7
273.06100	1.7
281.22577	1.2
283.24188	100.0
284.24521	2.9
285.25769	20.6
293.44116	0.5
301.25223	10.4
339.07187	0.9
357.08026	1.1
409.27213	0.5
439.29288	0.6
443.08133	0.8
461.09277	2.0
479.10339	0.7
531.29926	1.2
549.30255	1.7
561.43622	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08170	1.6
67.05504	17.7
69.07075	4.0
69.48638	0.5
70.01867	1.5
71.07365	6.8
74.01405	0.5
79.05486	8.8
81.07057	15.4
83.04958	0.8
83.08616	1.4
84.27352	0.5
86.09706	33.9
91.05477	3.9
93.07043	9.4
95.04974	1.1
95.08611	12.7
97.06547	0.7
104.10746	16.2
105.07051	2.8
107.08601	4.8
109.06560	0.6
109.10149	4.7
117.06989	1.1
119.08591	1.8
121.10140	3.3
123.11758	1.1
125.00018	1.4
125.80930	0.5
131.08578	1.5
133.10135	1.4
135.11693	1.7
137.13272	0.7
145.10161	0.9
146.31538	0.5
146.98178	49.6
147.11661	0.7
149.13275	1.4
159.11681	0.5
164.99268	1.0
184.07318	3.2
188.00822	0.8
240.10049	0.5
261.53018	0.5
299.29153	0.6
333.19159	1.7
335.25800	14.1
357.24118	1.9
384.62708	0.5
439.17380	0.9
481.23279	35.4
482.23154	0.8
540.30609	100.0
541.30933	2.9
832.49274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81973	3.5
61.02912	3.9
67.05519	12.1
69.03432	26.4
69.07069	23.3
69.41669	7.8
69.42082	10.8
71.04999	5.3
73.02915	6.7
79.05499	30.5
81.03428	37.9
81.07058	37.0
83.08630	10.7
85.02911	95.5
87.00830	43.3
91.05479	12.8
93.07040	19.6
93.26455	3.7
95.08603	26.1
97.02899	55.8
97.06538	9.7
97.10199	5.2
99.04472	17.3
105.01866	55.1
105.07028	30.6
106.55116	3.9
107.04990	8.9
107.08585	17.8
109.02872	62.2
109.03532	4.6
109.10160	15.3
119.08577	18.3
121.10165	5.6
123.11669	8.0
125.05987	51.5
127.03915	100.0
131.08562	10.7
133.10089	22.8
135.11723	4.3
137.05965	6.6
137.13266	4.1
143.08578	4.6
145.04945	26.9
145.10132	11.0
147.11714	10.3
159.02884	19.4
159.11707	10.8
161.09613	43.1
161.10616	3.8
161.13179	4.1
173.09705	4.6
173.13297	7.4
175.11191	18.9
175.14833	7.6
179.10738	19.9
187.14815	8.1
189.03966	8.1
189.16287	3.8
193.12312	7.7
197.13156	4.4
201.16457	4.8
203.14360	17.2
213.03938	29.7
215.14250	5.6
221.15398	11.0
231.04988	48.2
249.06058	25.2
257.22714	10.7
267.21338	4.8
268.01572	3.9
273.06049	12.2
285.22098	78.4
303.23209	10.9
339.07202	9.1
357.08139	8.8
451.19598	7.4
461.09351	14.2
479.09967	6.6
505.28528	5.8
515.26300	5.7
533.27411	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	3.1
64.72564	0.7
65.03945	0.8
67.05503	13.8
68.99771	1.7
69.03062	1.5
69.03427	24.1
69.07076	3.9
69.83985	0.8
71.04982	2.9
73.02911	3.7
79.05488	8.6
81.03418	22.6
81.07056	37.4
83.01336	1.0
83.04964	0.9
83.08617	4.7
85.02904	67.1
87.00829	29.4
87.43610	0.7
91.03928	1.0
91.05466	5.2
93.07039	17.2
95.04948	2.0
95.08604	39.4
97.02264	1.5
97.02892	26.7
97.10173	4.4
99.04454	10.4
103.03944	0.8
105.01865	53.7
105.07038	8.8
107.08585	17.3
108.04525	1.6
109.02879	27.5
109.09411	1.4
109.10155	26.0
111.04427	1.3
115.03925	2.3
117.01850	2.1
117.88727	0.6
119.08567	6.5
121.10144	21.9
123.11707	10.1
127.03913	63.1
129.01822	2.3
131.08542	1.4
133.10117	8.2
135.11688	34.3
137.13257	4.3
145.04953	19.3
145.10132	2.2
147.02888	1.7
147.11661	9.2
149.13255	24.4
151.14842	4.0
153.12787	1.1
159.02866	7.3
159.11705	2.5
161.13263	11.3
163.14801	8.0
165.16400	8.0
169.04955	1.7
173.13246	1.1
175.14819	15.9
177.16417	6.1
187.14815	1.3
189.03912	3.4
189.16370	11.3
191.17964	3.2
201.16386	1.9
203.17953	10.5
205.19565	1.3
207.20969	0.8
213.03914	11.8
215.17944	2.4
217.19482	2.6
223.79976	0.8
229.19527	3.6
231.04982	29.6
231.07314	1.5
233.06534	1.3
249.06065	21.4
273.06033	7.6
283.24261	1.7
285.25760	100.0
286.26147	3.2
287.27347	7.2
301.25348	0.8
303.26743	2.2
321.06119	0.8
339.07172	4.4
357.08160	3.7
360.32895	0.7
362.84155	0.8
425.07004	1.0
443.08127	2.7
461.09152	6.6
479.10428	4.4
515.30011	1.4
533.31201	1.1
785.65503	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	2.7
69.32197	2.3
70.58743	2.4
79.68492	3.1
85.02890	5.5
86.09711	2.5
94.06575	3.5
96.08123	5.6
108.08101	9.2
110.09690	7.0
120.08096	5.6
122.06032	9.0
122.09669	3.7
136.07574	14.4
138.09172	12.7
145.88313	2.4
148.07610	5.7
150.09149	4.8
166.08635	18.6
175.03667	13.2
204.06528	3.7
209.10748	3.7
236.09412	3.9
237.10191	13.7
243.11389	9.5
249.10371	14.0
249.12463	2.4
250.10936	5.3
251.11742	5.1
253.09816	3.8
261.10327	3.9
264.08829	7.9
265.09705	9.8
267.11206	4.8
277.09720	15.3
278.10297	6.6
279.11395	12.7
280.11777	2.4
281.09341	3.6
282.09985	3.2
285.12296	7.0
291.07751	2.9
291.11401	3.7
292.08438	3.2
293.09174	36.1
293.12726	8.5
294.09793	3.2
295.10727	5.8
305.09201	9.1
307.10785	15.1
309.12302	3.9
317.15009	7.6
323.10242	7.3
325.11896	5.4
333.08691	7.1
337.11606	3.8
339.13351	12.0
342.15802	3.1
351.09708	35.2
355.12680	4.3
365.11319	4.3
366.12131	11.6
371.12228	7.5
383.12341	18.5
385.14008	8.3
397.13840	7.5
398.14633	5.2
399.15475	4.1
410.14810	3.2
428.16168	3.6
438.14804	6.0
446.17078	10.5
455.16898	5.3
456.15506	8.7
458.17172	3.0
476.18027	6.7
478.19962	3.4
518.19080	10.5
519.19684	3.8
536.20197	15.8
550.21655	10.2
551.22583	5.1
556.92035	2.6
609.22900	4.8
641.26019	30.2
646.49695	2.8
680.24298	38.2
681.25372	20.0
712.26862	4.5
713.27783	100.0
714.28638	5.1
771.26971	3.1
803.30194	5.0
835.31519	35.2
836.31531	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	837.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96402	0.4
69.03423	1.0
69.60090	1.6
81.03412	0.6
85.02907	1.6
89.03886	0.6
94.06561	1.0
95.07320	0.9
96.08117	2.4
98.22749	0.9
108.08096	2.8
110.09686	3.8
116.04980	3.1
118.06496	0.6
120.04471	0.5
120.08109	3.6
122.06017	4.2
124.07576	3.9
136.07588	5.7
138.09116	3.3
144.04439	8.7
145.05066	0.5
146.05989	1.9
148.07593	1.6
152.07074	1.1
152.94722	0.5
160.03775	0.6
162.05534	4.2
165.09058	0.4
166.08638	8.6
172.03934	54.2
173.04333	1.2
174.05534	1.4
176.07115	0.4
181.05043	0.6
190.04980	9.9
199.12270	0.7
204.06557	100.0
205.06848	1.7
227.11778	1.7
241.09596	0.7
242.10471	1.8
243.11142	0.9
255.11279	3.6
256.12042	1.0
279.11270	1.8
284.11551	0.9
285.12338	0.9
286.07925	0.6
297.12454	2.3
301.11826	2.4
302.12494	3.2
303.13351	1.0
307.10767	1.3
309.12289	0.6
316.08331	0.5
325.11838	11.5
329.14975	2.4
334.09061	1.2
339.13287	1.3
343.12860	2.0
356.13855	0.5
357.14438	36.9
358.14499	0.9
487.17163	13.0
501.17984	1.0
505.18063	0.7
518.19659	0.5
519.19666	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.3
61.02933	6.6
67.05499	1.5
69.03062	1.4
69.03431	22.5
71.01344	2.7
71.04973	1.9
73.02920	26.6
75.56380	0.6
79.05495	1.6
81.03405	3.8
81.07061	4.9
83.04982	1.2
85.02909	60.2
85.06538	1.1
86.03254	0.7
87.04475	3.2
91.03941	2.5
91.05479	2.6
92.37780	0.7
93.07040	8.4
95.04967	2.7
95.08610	3.8
97.02898	41.9
98.22717	2.1
99.04483	3.2
101.02412	0.9
103.03956	1.4
105.07028	6.8
107.04969	0.9
107.08590	4.8
109.02895	6.4
109.06522	1.9
109.10147	2.5
111.08084	0.9
115.03936	17.4
117.07018	1.1
119.04944	2.5
119.08584	12.5
121.06519	1.4
121.10141	4.2
123.04430	1.2
123.08094	1.7
125.05994	2.2
127.03143	0.5
127.03915	21.1
131.08588	3.1
133.04970	23.4
133.06508	1.1
133.10121	3.9
135.08060	1.5
137.06015	1.7
137.09673	1.1
143.08577	2.8
145.04968	29.6
145.10144	6.3
147.08020	1.0
147.11668	2.8
149.05983	1.2
149.09599	0.8
151.07530	0.9
155.08591	1.0
157.10132	4.6
159.08063	1.0
159.11693	2.8
161.09668	1.3
162.07607	1.0
163.06036	12.2
163.07501	1.9
163.11244	0.9
164.08327	2.6
165.09120	2.9
169.10147	2.0
171.08022	0.8
171.11668	2.2
173.09613	1.3
175.07553	0.9
175.11154	1.0
181.08574	2.4
181.10042	1.6
183.11646	1.6
185.09619	1.0
185.13281	1.4
187.11168	2.0
189.09094	1.0
191.10710	1.4
193.04948	1.3
195.11736	2.8
197.13260	2.6
199.06120	1.7
199.11212	1.2
199.14774	1.6
203.10634	0.9
205.06969	0.8
209.13257	5.2
211.06165	0.7
211.14798	3.5
213.12793	1.2
213.16458	0.7
217.07065	2.0
222.10161	0.8
223.05963	3.8
223.11229	0.7
227.10677	1.0
227.14363	3.4
227.18030	2.4
231.13814	1.3
235.09712	1.6
237.12781	2.5
237.16335	4.6
239.14375	0.9
239.17923	5.1
241.07056	5.9
247.14899	0.7
255.13696	4.4
255.17435	11.5
257.19031	5.3
259.08136	16.2
265.15787	3.4
273.14926	1.9
273.18512	10.9
277.09167	3.4
283.13513	2.0
283.16910	17.0
285.18597	1.5
293.15567	1.0
295.10239	23.7
301.14587	0.9
301.17960	17.7
311.16370	7.9
319.19055	2.3
325.11337	5.3
329.17462	35.8
330.17764	1.0
347.18546	100.0
348.19016	2.6
365.19604	31.3
422.49133	0.8
461.21646	0.7
474.18231	1.6
479.22604	0.8
483.81198	0.7
630.42151	0.8
711.17389	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	0.9
61.02917	1.3
65.03945	3.9
67.05503	55.2
68.99798	0.6
69.03426	6.1
69.06705	1.1
69.07065	17.8
71.01324	0.8
71.05000	6.2
73.02905	1.6
77.03915	1.5
79.05492	52.9
79.22062	0.7
81.03413	12.3
81.07054	63.3
83.04523	1.0
83.04980	10.9
83.08618	10.4
85.02912	4.5
85.06535	4.5
86.09677	1.1
87.04485	0.7
91.03954	1.1
91.05476	34.1
93.07043	49.3
95.01292	1.2
95.04964	15.2
95.08602	43.2
97.02885	3.2
97.06532	21.2
97.10166	8.0
97.95082	0.7
99.04472	0.9
99.08096	2.2
101.94335	0.6
103.05471	1.6
104.52482	0.7
105.03387	0.8
105.04510	2.6
105.07025	22.6
107.04955	16.3
107.08595	26.2
109.02882	2.5
109.06516	17.8
109.10147	15.3
111.04420	3.2
111.08073	3.8
111.11720	0.6
113.06004	5.1
115.05470	2.1
115.07610	1.3
116.06134	0.8
117.07018	12.3
119.04924	2.0
119.08580	20.9
121.02870	6.9
121.05603	1.3
121.06500	18.0
121.10139	26.9
123.04446	3.0
123.08064	13.5
123.11687	3.9
125.05996	11.7
125.09635	6.7
127.03896	1.3
127.07559	1.0
128.06197	1.3
129.05510	0.8
129.07008	6.9
130.07779	1.0
131.04932	1.3
131.07054	1.4
131.08562	18.5
132.24789	0.6
133.06491	4.7
133.10117	14.9
135.04419	0.8
135.08047	12.3
135.11670	11.0
137.05989	2.0
137.09619	4.9
137.13243	1.1
139.07535	0.8
139.11171	2.3
141.06941	2.2
142.07813	0.9
143.08534	5.1
145.06476	3.2
145.10114	11.8
147.08031	5.2
147.11678	9.1
149.05969	3.6
149.09610	7.7
149.13249	4.6
151.07529	7.7
151.11182	2.3
153.09076	1.4
155.08539	3.7
157.06421	1.0
157.10129	5.3
159.08055	19.5
159.11705	7.3
161.09599	5.5
161.13303	3.9
163.07549	9.0
163.11208	3.8
163.14801	1.6
165.09090	1.5
165.12715	1.9
167.10669	2.9
169.08734	0.8
169.10095	3.5
171.08047	0.9
171.10356	0.7
171.11662	3.7
173.09615	3.8
173.11914	1.3
173.13211	4.5
175.11139	4.0
175.14827	1.5
177.09113	5.1
177.12729	2.3
179.10767	1.5
183.10219	0.8
183.11676	1.9
184.07353	2.7
185.09612	2.0
185.13287	1.2
187.11186	3.0
187.14769	3.3
189.09540	0.9
189.11200	4.5
189.12766	2.0
191.10730	1.6
191.14412	1.3
193.10596	1.0
193.12247	5.4
195.13741	0.7
197.09557	1.3
197.13274	2.4
199.11177	2.8
199.14827	1.4
200.48244	0.7
201.12875	0.8
201.16467	1.2
203.10432	1.0
205.12271	1.2
205.15881	3.1
211.11253	1.1
211.13242	1.8
211.14970	1.0
213.14809	1.3
215.14262	4.0
217.12257	2.1
219.13747	4.0
221.11758	1.8
221.15402	1.4
223.13306	1.6
225.12848	0.8
225.16368	1.9
227.12660	3.2
231.13846	1.0
233.15359	38.4
237.14832	1.1
239.12698	1.1
241.14314	7.3
243.17438	2.7
243.21126	2.4
247.13300	1.3
247.16774	0.8
249.14999	0.8
251.16444	3.9
253.15967	4.9
259.20630	2.4
261.18549	4.9
261.22147	7.2
267.15939	5.4
270.76834	0.7
271.16922	15.8
273.18222	0.8
275.19864	0.7
279.15973	1.3
289.17978	47.0
290.18491	0.7
291.19547	1.9
293.17493	1.2
295.19092	0.8
307.19000	16.2
313.16498	1.2
317.24850	1.4
321.16968	0.8
333.24310	1.8
335.25787	100.0
336.26120	3.2
345.20581	3.0
363.21631	22.6
381.22672	20.5
381.26901	0.6
391.28220	0.8
399.23962	0.9
412.83191	0.9
497.30386	0.9
501.35983	4.0
527.37164	2.5
536.67456	0.7
538.68945	0.8
543.28046	0.7
545.38556	0.8
549.38501	0.7
571.39819	1.0
595.43475	1.0
601.40625	2.2
605.41382	0.8
623.42963	22.6
641.44073	39.1
642.43817	1.6
659.44989	5.2
803.48511	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.5308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05005	2.5
61.02927	1.9
65.03939	4.3
67.05506	67.1
68.73241	1.2
69.03426	4.9
69.07066	14.8
69.82279	4.0
71.04991	3.3
78.82867	1.5
79.05040	2.9
79.05495	55.4
81.03403	4.9
81.07058	61.2
83.04977	17.3
83.08627	15.2
85.02917	1.4
85.06540	5.2
86.09694	2.6
87.04457	2.1
91.05482	41.0
93.07044	52.8
93.80845	1.1
95.04970	14.4
95.08013	2.7
95.08606	40.2
97.06535	7.3
97.10167	14.8
98.22758	2.0
99.04413	1.7
99.08156	1.7
100.64890	1.1
103.05475	2.6
104.84287	1.4
105.04523	3.3
105.07034	27.7
107.04969	8.6
107.08592	33.5
109.06513	15.3
109.10155	24.7
111.04478	1.6
111.08057	3.6
115.05465	2.5
117.07023	15.4
119.08588	24.5
121.06494	9.6
121.10137	16.8
123.08059	5.8
123.11713	3.0
125.00033	1.5
125.09645	10.9
127.03877	2.9
128.06216	1.6
129.06993	6.8
131.04955	1.6
131.08563	21.0
133.06500	11.9
133.10138	15.5
135.04370	1.7
135.08086	11.6
135.11684	10.9
137.05998	1.6
137.09618	24.1
141.07021	2.1
143.08556	4.0
145.06474	4.2
145.10143	13.6
147.08055	6.9
147.11671	8.9
149.05942	2.3
149.09569	7.1
149.13286	5.4
151.07584	6.8
151.11177	2.2
153.09113	19.6
155.08566	3.2
157.10141	4.9
159.08072	12.2
159.11707	5.3
161.09604	6.5
161.13283	5.3
163.07532	5.1
163.11098	6.0
163.14839	3.8
169.10117	3.7
171.11670	5.6
173.09610	4.8
173.13254	7.2
175.07588	1.6
175.11192	1.9
177.09134	4.4
177.12654	2.9
184.07333	9.8
185.13373	1.4
187.11226	3.0
187.14813	3.7
189.11189	8.2
189.12801	4.6
197.09717	1.8
197.13216	3.4
205.15941	3.6
213.12946	1.3
215.14330	5.1
215.17935	1.5
225.16438	2.6
227.12732	9.4
229.14320	4.4
231.13824	1.5
231.49409	1.4
233.15404	16.7
243.17491	2.7
243.21106	3.3
245.13739	1.7
251.16470	5.8
253.16046	2.9
259.20584	2.8
261.18445	8.9
261.22177	8.9
267.15747	1.5
271.16965	15.4
273.18509	1.5
275.20068	4.5
288.62506	1.3
289.17978	77.8
291.19547	1.7
297.13342	2.7
303.49176	1.4
307.19086	10.2
317.24686	2.7
333.24234	2.2
335.25803	100.0
336.26083	3.7
345.20624	2.1
349.23889	6.5
363.21661	23.1
365.23129	1.3
367.24850	2.7
370.17261	1.3
381.22754	73.1
382.23099	2.8
489.35812	10.9
505.35159	2.7
531.37793	1.3
583.39685	8.2
605.41913	2.6
623.43036	44.7
624.42847	1.8
641.44092	74.4
642.44299	3.6
659.45398	2.0
836.62079	1.5
838.50311	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	838.5559
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64700	0.2
60.08149	0.5
67.05172	0.4
67.05505	6.6
69.07069	11.5
69.11864	1.7
71.04986	0.7
71.06973	0.3
71.07375	5.7
71.08628	2.3
76.25114	0.2
79.05499	3.0
81.07056	8.0
83.04980	0.3
83.08617	7.7
85.10170	1.0
86.09705	30.1
90.52437	0.2
91.05459	0.4
93.07046	3.7
95.04985	0.3
95.08602	7.6
97.06503	1.5
97.10169	4.3
98.22656	0.4
99.08075	0.5
101.95586	0.2
104.03380	0.3
104.10744	7.5
107.08584	2.2
109.10156	3.4
111.08067	1.0
111.11716	1.5
121.10152	4.4
121.76643	0.3
123.11698	1.1
125.00011	0.3
127.45567	0.2
135.11703	3.2
137.13269	0.4
139.11180	0.6
145.89911	0.3
146.98178	46.0
149.13300	1.5
153.12724	0.6
163.14825	0.8
164.99258	0.7
165.16414	0.5
167.14264	0.4
177.16376	0.5
179.69270	0.3
184.07306	2.0
185.07555	0.3
188.00871	0.9
191.17883	0.3
243.52251	0.3
247.24217	0.8
265.25302	1.0
335.20709	0.8
339.28931	18.1
340.29105	0.6
361.27124	0.6
470.06671	0.3
485.26395	32.2
486.26807	0.8
498.67749	0.3
544.33722	100.0
545.34155	3.4
569.46570	0.3
693.99500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	0.8
61.02930	0.9
65.03931	2.6
67.05506	54.4
69.03433	3.9
69.06709	1.1
69.07069	18.1
71.05009	3.5
73.02876	0.7
77.03937	1.0
79.05496	48.6
81.03423	6.6
81.07057	74.1
83.04980	10.0
83.08617	14.0
85.02903	3.1
85.06556	2.2
86.18645	0.7
91.05482	28.4
93.07047	46.9
95.04969	14.2
95.08607	35.2
97.02875	1.4
97.06526	7.7
97.10165	15.7
99.04455	1.6
99.08086	2.1
103.05450	1.2
105.04526	2.1
105.07035	21.0
107.04961	6.6
107.08597	27.4
109.06517	9.0
109.10159	17.1
111.04445	7.9
111.08102	5.6
115.05470	1.5
117.07023	10.3
119.05019	0.9
119.08583	19.7
121.06514	6.5
121.10148	21.4
123.08067	16.4
123.11669	3.7
125.05985	1.0
125.09632	15.3
128.06227	1.9
129.07014	4.6
131.08565	14.4
133.06512	2.4
133.10123	11.7
135.08064	5.8
135.11699	11.2
137.09636	4.0
137.13181	1.0
139.11197	2.6
142.07776	0.8
143.08621	4.2
143.10712	1.0
145.10132	12.2
147.08057	7.6
147.11668	7.4
149.09636	5.4
149.13277	4.8
151.11220	0.9
153.09114	1.7
153.12798	3.6
155.08553	1.8
157.10129	4.1
159.08078	1.1
159.11716	5.6
161.09651	5.4
161.13278	4.1
163.11188	11.4
163.14783	1.3
165.09129	2.8
165.12793	1.0
167.08591	1.0
169.10056	1.5
171.10234	1.9
171.11717	3.5
173.09612	2.1
173.13319	3.6
175.11172	3.3
175.14874	1.2
177.12801	2.2
179.10748	1.1
181.12271	4.5
183.11803	1.1
185.13235	1.7
187.11169	0.9
187.14801	1.9
189.11224	11.8
189.12766	1.4
191.10693	3.9
193.12242	3.3
199.11137	1.1
199.14920	1.0
201.16382	1.1
209.11656	1.3
211.13162	1.0
211.14961	1.1
213.16318	1.1
223.13300	3.4
227.12784	12.4
227.17940	1.3
234.30309	0.9
237.16484	1.4
241.19542	0.9
243.21138	2.5
245.13818	1.0
245.18945	3.1
249.14989	1.5
255.17479	3.1
259.20602	1.2
261.22128	7.0
263.20068	1.0
273.18494	23.7
275.20108	1.4
283.15457	2.1
291.19534	44.4
292.20065	1.2
309.20496	6.2
317.24689	1.3
333.24176	2.3
335.25793	100.0
336.26355	4.6
337.27112	0.9
347.22226	6.0
365.23212	29.7
366.23840	1.0
383.24243	16.5
394.45682	0.8
444.53113	0.8
505.35172	1.6
515.37732	1.0
529.38635	1.7
533.39453	0.9
534.09473	0.8
551.41223	1.8
561.37860	1.6
569.41199	1.1
607.43512	5.1
625.44598	42.6
626.44659	2.8
643.45734	36.9
644.45703	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	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89944	1.1
61.02925	1.4
65.03941	4.0
67.05507	71.2
69.03429	4.9
69.06710	1.7
69.07074	25.1
69.42333	4.7
71.04994	3.8
72.59325	1.1
77.03942	2.4
79.05498	63.2
81.03416	10.2
81.07057	99.9
82.07401	1.2
83.04983	14.9
83.08617	19.4
85.02898	4.1
85.06535	3.0
91.05483	42.6
93.07048	60.9
95.04972	22.2
95.08609	43.5
97.02888	2.5
97.06538	11.0
97.10174	23.6
98.23389	2.4
99.04430	1.8
99.08071	4.5
105.04527	4.3
105.07031	30.0
106.87679	1.2
107.04955	10.9
107.08594	35.7
109.06535	14.3
109.10157	23.2
111.04462	12.9
111.08076	9.4
113.06036	1.8
115.05426	1.9
117.07033	14.4
119.07748	1.7
119.08592	26.3
121.06532	6.0
121.10146	25.8
123.07240	2.1
123.08067	23.0
123.11727	4.2
125.05968	1.5
125.09635	24.1
128.06244	2.1
129.06996	7.4
131.04877	1.1
131.08556	17.2
133.06494	3.8
133.10118	15.5
135.08066	8.5
135.11702	15.2
137.09587	6.2
139.11154	3.0
142.07785	1.7
143.08548	6.2
145.06448	2.2
145.10120	17.6
147.08067	7.9
147.11671	8.9
149.09625	7.2
149.13255	6.3
151.11209	1.4
152.94345	1.0
153.09132	3.0
153.12692	6.2
155.08562	1.5
157.10098	6.7
159.08080	1.5
159.11731	8.9
161.09627	7.5
161.13281	2.9
163.11172	15.8
163.14757	2.0
165.09122	4.3
165.12787	2.4
169.10086	1.2
171.10187	3.0
171.11719	5.4
173.09641	4.3
173.13173	5.9
175.11205	4.0
175.14787	1.4
177.12767	2.6
181.10104	1.8
181.12225	5.7
185.09673	1.4
185.13297	3.1
187.11157	1.3
187.14830	3.3
189.11240	19.4
189.12773	1.7
191.10698	4.5
193.12210	3.5
195.11674	1.4
195.13756	1.1
199.14810	1.3
200.07446	1.1
201.16327	1.6
205.12296	2.0
207.13567	1.1
209.11729	2.2
209.13493	1.1
213.12660	1.1
213.16519	1.4
217.15843	1.4
221.15260	1.2
223.13280	4.1
227.12770	19.1
227.17941	2.2
237.16452	1.5
243.21172	2.4
245.19067	3.3
249.14799	3.1
255.17293	2.5
257.18951	1.1
259.20526	1.7
261.22137	8.8
263.20187	2.1
267.15891	2.5
273.18472	36.2
275.20062	3.0
277.21585	1.2
283.15421	2.9
289.18018	1.5
291.19553	82.2
292.19952	2.0
293.21008	1.9
309.20609	14.1
317.24924	1.2
329.20816	1.7
333.24316	3.1
335.25800	100.0
336.26114	3.6
347.22104	7.3
349.23816	1.7
365.23233	43.3
367.25253	1.2
383.24268	30.6
501.35663	1.6
515.38037	1.4
529.38885	2.2
533.40076	1.6
607.43579	5.6
625.44653	54.2
626.44836	3.4
643.45667	51.1
644.45660	3.1
774.95959	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5677
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05007	1.8
60.08147	1.3
65.03915	0.4
65.34312	0.4
67.05490	1.0
68.15491	0.4
69.03415	1.6
69.07060	0.7
71.04997	0.7
71.08618	0.8
73.02914	2.8
73.06550	5.0
77.03899	0.4
79.05476	1.5
81.07045	1.1
83.04955	0.6
85.02913	0.3
86.09711	4.7
87.04466	33.0
89.06029	100.0
90.04725	0.4
90.06351	0.7
91.04935	0.6
91.05473	8.4
91.07571	0.8
93.07039	5.6
95.04967	3.2
95.08602	0.7
97.06501	0.6
98.98447	0.5
103.05473	2.2
105.04523	1.2
105.07030	3.0
107.04951	0.9
107.07065	2.1
107.08579	3.3
109.06496	1.2
113.06002	1.0
113.13269	1.0
115.07581	0.7
117.07037	2.6
117.09121	3.0
118.07777	5.7
119.04931	4.0
119.08586	5.9
121.06502	22.3
121.10160	1.3
122.06801	0.5
123.08041	1.2
125.00017	3.4
129.07019	0.7
130.08627	2.0
131.07036	12.5
131.08594	0.9
133.08600	65.6
133.10201	1.6
134.08984	0.5
135.08051	4.4
135.10121	0.5
135.11665	2.0
141.57523	0.4
145.06523	0.7
145.10213	0.5
147.08044	12.0
147.11743	0.7
149.09627	5.5
149.13251	0.7
150.06743	4.5
157.08682	0.4
158.83110	0.3
159.10408	0.6
159.11723	2.5
161.09627	0.5
161.11792	1.1
163.07584	0.6
163.11180	2.7
163.61990	0.4
165.09109	5.6
167.10683	1.2
173.09639	0.9
175.09676	10.5
175.11069	0.7
177.11229	27.1
177.12712	2.7
179.12979	0.4
184.07332	13.4
189.09164	0.4
191.10645	3.4
193.10750	0.4
193.12251	1.9
207.13850	0.5
209.11745	3.2
211.13271	3.2
217.12411	0.4
217.17104	0.5
219.12260	2.9
221.13818	5.4
223.15477	0.5
231.17511	0.6
233.18988	18.4
235.13289	3.4
237.13225	0.7
239.14944	1.1
247.20570	0.8
251.12798	0.4
253.14427	1.1
255.15916	2.9
259.20557	3.3
263.15070	0.7
265.16470	1.9
267.18195	0.5
275.20190	0.8
275.23828	1.1
277.21625	27.1
278.22107	1.0
279.16061	1.4
283.17648	1.4
297.17130	0.4
299.18735	1.5
303.23209	3.3
305.24683	0.6
309.19165	1.6
319.22824	0.9
321.24234	8.6
321.27740	0.6
323.18768	0.9
327.20242	0.9
343.21271	0.6
353.21893	1.2
365.27457	0.5
397.24652	1.2
441.27402	0.9
472.38821	0.5
711.42126	1.4
738.03027	0.4
779.50647	0.4
823.54102	6.2
840.57245	12.3
841.47198	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04996	1.4
61.02923	1.6
65.03938	3.5
67.05509	73.4
69.03419	3.0
69.07070	17.6
70.21942	1.0
70.94905	1.5
71.04994	3.7
73.02929	2.5
79.05499	45.0
81.03426	3.6
81.07060	70.4
83.04975	3.0
83.08633	10.6
83.38406	1.2
85.02905	2.2
85.06558	3.4
86.09698	4.5
86.42837	1.0
91.03939	1.2
91.05484	32.1
92.05824	1.2
93.07050	51.4
95.04977	8.3
95.08614	48.6
97.02872	2.5
97.06525	6.5
97.10170	4.4
99.08087	2.2
105.04543	2.3
105.07030	28.1
107.04966	3.5
107.08597	34.2
109.06527	5.4
109.10165	30.0
111.08083	4.7
115.05438	1.7
117.07014	11.0
119.08588	23.4
121.06501	2.6
121.10149	25.6
123.08051	3.9
123.11721	5.8
125.00002	2.7
125.09638	3.0
129.07030	3.0
131.08569	16.6
133.10147	17.9
135.08089	3.3
135.11694	13.2
137.09641	3.3
137.13197	1.4
143.08557	3.0
145.10132	14.4
147.08006	1.6
147.11685	11.0
149.09637	4.2
149.13257	9.3
151.11180	2.5
155.08557	1.5
155.10677	1.8
157.10179	3.5
159.11707	8.8
161.09741	1.4
161.13255	5.1
163.11156	3.7
163.14801	3.0
165.99744	1.0
169.10214	1.2
171.11694	2.5
173.11748	4.9
173.13286	7.6
175.11131	1.6
175.14799	2.9
177.12762	1.7
183.11771	1.3
184.07333	16.9
185.13339	2.8
187.14847	2.7
189.11235	1.9
189.16383	1.1
195.13785	1.2
199.14737	1.7
199.51976	1.0
201.16351	1.8
205.15895	1.8
219.17374	1.7
227.12781	4.1
229.14322	20.6
229.19614	1.2
230.14700	1.3
239.17964	2.2
243.21115	2.5
257.19083	4.4
259.20547	1.7
261.22089	8.9
267.16046	1.5
269.17477	12.2
275.20065	21.3
293.21149	4.4
309.20584	8.9
317.24677	2.7
331.22577	2.2
333.24380	2.1
335.25821	100.0
336.26108	4.0
349.23767	17.9
351.24899	1.4
367.24753	13.6
447.57843	1.0
489.35709	14.8
507.36386	2.9
511.37784	1.7
529.38916	38.9
530.39032	2.6
553.41992	1.5
569.42047	37.6
570.42126	2.2
609.45203	34.8
615.79919	1.2
627.46069	21.4
673.42871	1.3
717.44495	1.5
842.31903	1.6
842.47211	20.3
843.48627	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	6.8
65.03916	0.4
67.05503	7.5
69.03435	4.2
69.07070	1.1
71.01369	0.8
71.05006	0.7
71.11552	0.4
73.02919	4.3
78.70687	0.3
79.05493	5.4
79.05936	0.3
81.03420	2.5
81.07057	6.6
83.04989	0.8
83.08629	0.6
85.02905	6.4
85.06548	0.4
86.09710	0.8
87.04502	0.4
91.03958	2.5
91.05481	3.9
93.07043	4.4
95.04977	1.4
95.08601	3.9
97.02893	5.9
97.06554	1.4
97.10192	0.5
99.04476	1.0
99.08080	0.3
101.02389	2.5
101.83584	0.3
103.03958	0.3
105.07045	1.9
107.04965	0.5
107.08605	2.1
109.02899	1.0
109.06544	0.6
109.10181	1.3
117.07039	0.8
119.08618	1.2
121.10146	1.6
124.38517	0.3
125.00025	0.7
125.05995	0.5
127.03902	1.5
129.07066	0.4
129.83276	0.4
131.08604	1.0
133.10190	1.1
135.08081	0.5
135.11725	0.8
144.67110	0.3
145.10144	0.6
147.11696	0.6
149.13312	0.5
159.08257	0.4
159.11740	0.4
161.13342	0.5
184.07339	1.9
185.04317	1.1
203.05296	0.5
243.08401	2.0
261.14755	0.9
275.19946	0.5
317.33401	0.4
335.26013	0.5
347.18332	3.4
395.84048	0.3
403.20981	0.5
441.17404	0.5
479.22635	0.7
519.29224	5.3
520.29602	0.5
529.31940	0.4
565.26208	2.6
719.40112	1.1
757.44891	1.4
799.47919	0.4
843.48560	100.0
844.48737	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	845.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
69.46266	2.7
78.38161	0.6
94.20886	0.7
94.68476	0.6
116.14677	0.6
125.32312	0.7
138.67920	0.6
151.32286	0.7
193.90657	0.6
249.58058	0.8
291.41132	0.8
308.41403	0.8
389.46707	0.6
845.48236	100.0
846.48621	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	845.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08144	1.1
61.02931	1.1
81.96144	0.8
86.09715	1.1
86.67432	1.0
125.00073	1.3
137.57672	1.1
184.07390	6.7
225.16795	1.0
405.19766	1.0
466.10095	1.0
677.60773	1.3
845.48462	100.0
846.48615	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	845.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08164	1.8
61.02930	4.6
67.05506	4.1
69.03423	3.3
69.07074	2.0
69.36745	1.3
69.37160	3.0
71.05006	1.5
71.07405	0.9
73.02922	3.6
74.38012	0.6
79.05477	3.9
81.03395	1.0
81.07076	5.9
83.08635	1.1
84.43285	0.7
85.02898	4.9
86.09702	6.4
87.10062	0.9
87.82106	0.7
91.03976	2.3
91.05505	2.3
93.07045	3.9
95.04966	0.8
95.08612	3.0
97.02931	3.0
98.22764	1.2
101.02401	1.5
104.10781	0.8
105.07072	2.3
107.08627	1.8
109.02893	1.4
109.06562	1.2
109.10141	1.7
119.08574	1.6
121.06618	0.6
121.10161	1.4
125.00024	4.6
125.09719	0.8
127.03941	1.7
131.08676	1.0
133.10158	0.8
135.11714	0.9
147.11763	0.7
161.13406	0.7
184.07339	24.3
185.07767	2.4
225.10974	0.7
242.53125	0.8
243.08569	2.7
313.27283	0.7
335.25818	0.9
349.20007	1.9
378.25604	0.8
443.19034	1.8
479.22958	1.6
519.29358	5.1
567.27692	2.6
721.41479	2.1
757.44812	1.7
845.50165	100.0
846.50446	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.0
65.03932	0.2
65.28075	0.2
67.05508	4.7
67.84523	0.2
68.58360	0.2
69.03426	3.0
69.07068	1.4
69.27657	1.1
71.01363	0.4
71.04990	0.5
73.02917	3.6
75.04510	0.2
77.10622	0.2
79.05495	3.3
81.03420	1.3
81.07059	4.3
83.04990	0.4
83.08629	0.8
85.02911	4.7
86.09693	0.5
87.04469	0.4
91.03960	3.3
91.04496	0.3
91.05475	1.8
93.07050	3.5
93.91482	0.2
95.05000	0.6
95.08611	3.0
97.02894	4.5
97.06553	0.3
97.10174	0.5
99.04473	0.8
101.02386	1.5
103.03962	0.3
105.07026	1.2
107.04952	0.4
107.08596	1.9
109.02903	0.7
109.06545	0.6
109.10154	1.6
111.04463	0.2
115.03944	0.4
117.07056	0.4
119.08607	0.9
121.10152	1.6
123.08082	0.4
123.11736	0.5
125.09636	0.2
127.03898	1.0
129.05547	0.3
131.08557	0.9
133.10149	0.7
135.11725	0.9
145.10173	0.5
147.11726	0.5
149.13345	0.6
157.89055	0.2
159.11710	0.4
161.13295	0.2
172.12181	0.2
184.07378	1.0
185.04297	0.7
203.05304	0.5
205.67058	0.2
225.11113	0.4
243.08401	2.9
261.14676	0.2
261.22290	0.2
277.02075	0.2
301.08875	0.4
313.09113	0.2
315.10565	0.2
335.25998	0.7
345.20432	0.2
349.19800	4.2
373.11075	0.2
405.22583	0.3
443.19144	0.6
468.51260	0.2
479.22559	0.4
519.29321	7.2
520.29865	0.4
567.27820	2.0
591.31647	0.6
721.41473	0.5
845.50159	100.0
846.50452	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	847.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	4.0
65.03962	0.3
65.62814	0.3
67.05507	4.3
69.03429	2.7
69.07089	1.1
69.68871	0.9
71.01354	0.5
71.05003	0.7
71.73721	0.3
73.02916	2.9
77.03550	0.2
79.05496	3.0
81.03425	1.6
81.07059	4.1
82.50527	0.2
83.04993	0.3
83.08647	0.8
85.02902	4.7
87.04486	0.4
91.03961	2.5
91.05486	2.6
93.07043	3.1
95.05003	0.7
95.08605	3.4
95.09123	0.3
97.02893	4.0
97.06565	0.5
97.10201	0.4
99.04491	0.5
101.02393	1.4
105.07063	1.2
107.08578	1.7
109.02885	0.6
109.10169	1.5
117.07034	0.3
119.08611	1.3
119.92211	0.3
121.10194	1.1
123.11742	0.6
127.03959	1.3
131.08574	0.6
133.10172	1.0
135.11722	0.8
145.10207	0.3
147.11746	1.1
149.13329	0.6
159.11687	0.4
185.04343	0.4
243.08464	2.1
271.43726	0.3
295.77631	0.3
301.09198	0.4
335.25772	0.7
351.21371	3.5
405.57413	0.3
407.24231	0.6
425.21677	0.5
477.41312	0.4
519.29425	5.1
569.29199	4.9
591.31567	0.4
685.46490	0.4
847.51685	100.0
848.52069	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	848.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05004	3.3
61.02924	11.4
65.03938	2.1
67.05501	92.5
69.03428	2.5
69.07063	6.9
69.65775	0.7
69.66135	1.3
71.05003	2.7
71.08652	0.5
73.02922	3.6
78.00838	0.4
79.05486	17.2
81.03410	1.1
81.07053	36.1
83.04968	0.9
83.08619	7.9
85.02901	14.4
85.06532	2.8
86.09713	1.7
87.04460	0.8
91.03952	7.7
91.05474	12.3
93.06433	0.9
93.07039	22.1
95.04959	2.0
95.08599	24.6
95.64447	0.4
97.02892	8.0
97.06525	1.2
97.10172	2.0
99.04454	1.1
99.08089	0.7
101.05969	0.4
105.04533	0.7
105.07027	7.7
107.08585	14.4
107.53978	0.4
109.06520	1.1
109.10150	78.0
110.09734	0.4
110.10502	1.1
111.08070	3.5
113.09596	0.4
115.03925	0.9
117.07005	2.9
119.08572	10.8
121.10142	10.2
123.08043	0.6
123.11689	2.7
124.99981	0.8
125.09634	1.8
127.03895	3.5
127.11209	0.8
129.07014	0.5
131.08577	5.2
133.10124	5.2
135.11684	7.8
137.09627	4.3
137.13263	1.1
143.08595	0.4
145.04948	3.9
145.10127	4.1
147.11681	4.6
149.13245	5.5
155.10648	5.7
159.11682	3.7
161.13226	2.2
163.06010	4.9
163.14822	3.0
173.11761	21.1
173.13237	3.8
175.14822	1.4
175.30989	0.4
177.16356	1.0
183.11803	0.6
184.07338	3.9
187.14835	1.5
189.11223	1.3
201.16435	0.5
213.14799	0.7
227.12750	7.9
229.14333	100.0
230.14645	1.5
231.16095	0.5
233.22548	0.6
243.21046	4.2
257.19135	0.4
259.20435	0.6
261.22116	18.7
299.23535	0.5
312.06192	0.4
317.24744	2.5
333.24585	0.5
335.25781	65.1
336.26102	1.6
373.18643	0.4
377.26935	0.6
379.29883	1.1
397.31024	1.6
406.17218	0.4
415.32025	1.7
433.33304	0.8
435.31598	0.6
471.34750	1.9
489.35724	48.3
490.35980	1.7
507.36734	7.1
548.78516	0.4
633.39880	0.5
789.42572	1.0
848.51520	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	848.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05009	3.3
61.02631	0.8
61.02926	12.4
65.03945	3.0
67.05503	99.8
68.05830	0.8
68.71459	0.6
69.03426	2.8
69.07069	7.6
71.04996	3.3
71.08612	0.6
73.02916	3.5
77.03940	0.6
79.05492	22.6
80.57330	0.4
81.03419	1.1
81.07056	41.8
83.04982	1.3
83.08624	8.0
85.02906	14.7
85.06539	2.7
86.09705	1.9
87.04521	0.5
91.03957	8.7
91.04931	0.8
91.05482	14.3
93.06441	1.0
93.07043	28.5
95.04946	2.8
95.08602	28.9
96.04504	0.5
96.28423	0.4
97.02892	8.3
97.06537	1.2
97.10173	2.5
99.04472	0.7
99.08098	1.0
103.03953	0.4
105.04572	1.0
105.07031	8.4
107.08593	16.5
109.02856	0.5
109.06535	1.0
109.10154	80.0
110.10500	0.8
111.08070	3.2
117.07001	3.4
119.08580	13.2
121.10143	14.3
123.08102	0.6
123.11708	4.4
124.99989	0.5
125.09620	1.3
127.03934	3.8
131.08563	7.4
133.10123	6.1
133.36967	0.5
135.11691	9.9
137.09627	3.8
137.13254	1.3
139.11179	0.6
142.20474	0.4
145.04962	3.4
145.10101	5.4
147.11681	4.1
149.13239	5.7
155.10649	7.2
159.11687	4.0
161.13245	3.5
163.06017	4.9
163.14807	3.0
171.11707	0.6
173.11743	19.1
173.13261	4.6
175.14803	1.4
177.12741	0.5
177.16382	1.0
179.14311	0.4
184.07269	2.1
187.14859	2.4
189.11185	0.7
201.16385	0.9
227.12810	6.2
229.14342	100.0
230.14720	1.4
233.18996	0.5
233.22591	0.6
243.21071	6.3
259.20374	0.8
261.22128	23.4
262.22559	0.5
277.21603	0.6
299.23828	0.7
317.24759	3.2
335.25790	76.9
336.26105	2.2
379.29855	0.9
397.30817	1.9
415.31995	1.0
471.34564	2.5
489.35730	85.1
490.36087	3.6
507.36865	10.0
508.37082	0.5
531.53082	0.5
633.39331	0.9
665.43420	0.9
789.42999	0.6
848.51807	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	849.6698
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08169	4.9
67.05509	0.5
69.07079	0.2
69.56639	0.6
69.57047	0.3
70.06581	0.2
71.07380	2.6
81.07043	0.5
83.08597	0.2
86.09711	28.2
95.08605	0.4
98.98479	2.4
102.09203	0.2
104.10751	3.9
125.00008	18.1
146.98242	0.2
157.24133	0.2
184.07347	100.0
185.07590	0.4
221.72891	0.2
256.26251	0.3
381.98831	0.2
442.93701	0.2
502.26685	0.2
502.32901	1.8
515.70465	0.2
520.34003	20.5
521.33954	0.6
586.51434	0.2
829.11005	0.2
850.39630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04509	0.3
65.03934	5.4
68.05018	0.6
68.31929	0.3
69.07053	0.3
70.06590	21.0
71.08628	2.7
72.08123	0.3
74.06066	0.5
81.07087	0.2
84.08135	0.6
85.10155	0.9
88.07628	24.4
96.50623	0.3
98.22583	0.4
102.09176	18.7
103.01819	0.4
104.02629	0.3
105.03379	0.7
109.23024	0.3
121.02869	2.2
127.33608	0.3
131.04893	0.6
132.02036	0.4
132.10190	0.5
133.02832	0.4
136.87148	0.2
139.03926	2.1
146.11794	0.4
147.04375	1.3
148.05215	0.4
149.02342	81.0
149.03444	8.1
150.02663	0.9
164.92973	0.3
175.03882	2.0
177.05478	1.8
184.07355	0.7
191.06964	1.3
193.04955	42.1
194.05302	0.6
212.23746	0.8
219.06502	2.3
225.05336	0.4
237.05118	0.3
237.05814	0.2
237.07561	9.9
256.26340	55.4
257.26740	1.2
269.04474	0.6
297.04034	0.8
300.28876	0.8
303.16205	0.3
313.07141	1.3
341.06555	3.5
343.08069	1.4
359.07571	1.5
385.09149	6.9
411.10873	0.6
429.11838	1.8
533.10779	0.9
577.13367	8.0
577.22418	0.4
578.13757	0.8
594.54327	0.3
621.15979	10.6
622.16730	0.4
640.34741	0.4
832.39166	1.4
850.39984	100.0
851.40204	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	850.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08174	0.7
62.10489	0.5
67.05161	1.1
67.05509	17.0
69.07069	4.5
69.56956	2.5
71.07381	5.6
79.05503	8.9
81.07061	18.2
83.08628	2.4
86.09712	34.8
91.05483	4.1
93.07049	10.1
95.05010	1.1
95.08610	12.3
97.10222	0.7
104.10747	9.0
105.07023	2.9
107.08609	4.5
109.10175	5.0
117.07050	1.7
118.17663	0.6
119.08585	2.4
121.10175	3.3
123.11737	0.6
124.99970	1.1
126.85743	0.7
131.08560	1.7
133.10190	1.3
135.11705	1.8
138.01042	0.6
145.10121	0.9
145.37077	0.6
146.98184	48.3
147.11754	0.8
149.13269	1.0
161.13176	0.6
164.99258	0.8
184.07408	2.0
188.00874	1.4
213.40883	0.7
261.22424	0.8
335.25827	14.5
357.24106	1.9
360.93216	0.6
372.40472	0.6
413.59363	0.6
481.23276	32.5
482.23987	0.7
491.86496	0.6
540.30646	100.0
541.30939	3.3
642.57373	0.7
731.13519	0.7
842.52771	0.8
850.51056	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.5201
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05157	1.3
67.05508	15.9
69.07066	4.4
69.97065	1.6
71.00189	0.7
71.07382	6.3
79.05505	6.9
81.07058	13.2
83.05013	0.7
83.08632	1.6
86.09189	1.5
86.09710	30.6
87.36462	0.6
91.05482	2.7
93.07047	9.5
95.04956	1.7
95.08615	12.7
97.06578	0.6
104.10753	12.5
105.07009	1.8
107.08582	5.6
109.06590	0.7
109.10127	5.1
111.54659	0.7
119.08572	1.7
121.10137	3.8
123.11710	1.5
133.10150	1.6
135.11699	1.5
146.98181	46.5
161.35138	0.7
163.14778	0.8
164.99275	1.3
173.13351	0.8
184.07396	2.3
188.00816	1.0
263.28931	0.7
268.52182	0.8
335.25818	13.7
357.24124	2.2
481.23279	33.4
512.28711	1.3
540.30646	100.0
541.30969	2.6
580.73059	0.8
850.50671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98251	0.7
60.08173	1.4
65.03949	1.0
67.05509	17.6
69.07059	3.7
71.07372	5.3
72.08149	1.0
74.61159	0.7
77.03909	0.8
77.56849	0.7
79.05497	7.5
81.06622	1.3
81.07058	14.8
81.96590	0.7
83.08624	2.5
86.09706	34.5
91.05470	3.7
93.07043	8.5
95.04949	1.0
95.08604	13.4
97.06520	0.9
98.22734	2.8
104.10749	17.5
105.07048	3.0
107.08620	5.0
109.10169	6.6
117.07069	1.1
119.08620	2.3
121.10143	5.3
122.84717	0.8
124.99989	1.0
126.07445	0.7
129.97870	0.7
131.08611	0.8
133.10159	1.4
135.11740	2.3
145.10052	0.8
146.98181	51.5
154.23375	0.7
155.32579	0.7
184.07315	3.9
188.00829	1.2
224.13916	0.9
301.16089	0.8
326.18298	0.8
335.25775	11.7
335.29568	0.9
357.24020	2.6
481.23264	34.1
482.23938	2.4
512.55725	0.8
540.30627	100.0
541.30530	3.9
542.31628	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5367
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75224	0.5
65.03915	0.6
67.05506	11.5
69.07074	7.8
69.56672	1.2
70.06592	0.5
71.04997	0.6
71.07375	4.8
71.08646	0.9
79.05493	4.1
81.07059	13.8
83.08615	4.8
86.09709	30.5
91.05468	2.8
93.07046	4.4
95.08611	10.8
97.06541	1.0
97.10152	2.5
102.09164	0.4
104.10732	6.5
104.11362	0.4
105.07041	1.8
107.08578	2.6
109.10162	3.7
119.08611	1.8
121.10153	2.2
123.08051	0.6
123.11725	1.6
125.00051	0.6
131.77364	0.4
132.04823	0.4
133.10153	2.1
135.11728	1.1
137.09647	0.4
137.13190	0.6
146.98180	51.0
147.11700	1.4
149.02388	1.2
149.13327	0.6
150.02757	0.4
153.12735	0.4
161.13310	0.6
163.14786	0.6
164.99422	0.6
175.14810	0.7
184.07370	3.0
188.00851	0.9
219.17488	0.8
238.61792	0.5
256.26605	0.6
332.18054	0.4
337.27399	16.5
359.25583	1.5
374.93127	0.4
376.65286	0.4
381.22858	0.5
483.24847	29.7
484.25070	0.7
542.32178	100.0
543.32611	3.5
544.99292	0.5
545.07434	0.5
637.41351	0.5
767.74750	0.5
852.40601	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4555
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.2
67.05506	7.0
69.03435	3.8
69.07077	1.0
69.54317	0.8
71.01361	0.6
71.04997	0.6
73.02923	4.1
79.05486	2.1
81.03421	1.4
81.07058	3.9
83.05000	0.3
83.08630	0.8
85.02902	6.8
85.91403	0.2
87.04472	0.6
91.03971	3.3
91.05482	1.6
93.07043	2.4
95.04990	0.9
95.08601	2.2
97.02896	5.9
97.06553	0.4
98.23523	0.2
99.04457	1.3
101.02384	2.1
103.03992	0.4
105.07053	0.8
107.04952	0.4
107.08584	1.3
109.02906	1.1
109.06542	0.4
109.10165	5.8
111.04453	0.5
117.07050	0.7
119.08577	1.6
121.10191	1.2
127.03902	1.8
128.13922	0.3
131.08589	0.7
133.10190	0.8
135.08098	0.5
135.11708	0.6
143.08624	0.3
145.05005	0.4
145.10123	0.3
147.11856	0.3
149.13284	0.3
155.10704	0.5
159.11832	0.4
162.38872	0.3
173.11697	1.9
173.13084	0.3
184.07457	0.5
185.04308	1.0
195.10057	0.6
203.05379	0.8
207.36870	0.3
219.17477	0.4
223.13307	0.3
229.14291	1.3
236.92899	0.3
243.08418	2.0
251.12643	0.4
275.20120	0.7
291.19754	0.5
319.70120	0.3
335.26108	0.4
347.09531	2.7
349.23920	0.8
363.08978	0.6
365.10684	1.1
365.23386	0.5
405.13733	6.1
413.17825	10.3
413.23267	0.5
519.29248	5.3
519.36389	0.4
575.23138	8.4
629.44336	0.3
638.41760	0.5
656.41992	0.5
657.43774	0.4
681.34546	5.0
691.40216	2.1
692.41101	0.3
853.45508	100.0
854.45959	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	853.4556
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.6
67.05504	5.2
67.74877	0.2
69.03429	4.0
69.07073	0.6
71.01347	0.6
71.05000	0.6
73.02918	4.7
73.61477	0.2
75.61940	0.2
77.19720	0.2
79.05503	2.0
81.03412	1.7
81.07059	3.0
83.01318	0.3
83.05012	0.4
83.08638	0.4
85.02901	7.1
86.09693	0.4
87.04486	0.3
91.03959	4.6
91.04496	0.4
91.05473	1.4
93.07036	2.4
95.04961	0.5
95.08607	2.3
97.02896	6.4
98.22710	0.7
99.04465	0.8
101.02379	2.4
103.03954	0.5
105.04619	0.2
105.07018	1.1
107.08596	1.1
109.02894	0.9
109.10164	3.1
115.03946	0.8
119.08560	0.7
121.10130	1.3
123.11771	0.3
127.03909	2.0
129.05536	0.3
131.08617	0.4
133.10139	0.5
135.11705	0.6
137.09636	0.2
145.05019	0.8
146.74074	0.2
147.11665	0.3
149.13281	0.3
155.10739	0.3
173.11749	1.2
173.13240	0.3
185.04179	1.1
194.83784	0.3
195.09982	0.6
203.05301	0.8
222.39943	0.2
229.14435	0.8
243.08398	1.9
245.95918	0.2
259.07932	0.3
260.72015	0.2
280.84454	0.2
292.88785	0.2
305.08383	0.3
309.49655	0.2
335.25919	0.8
347.09464	2.6
363.08939	0.5
365.10596	1.0
388.97711	0.2
405.13684	6.3
405.18787	0.4
406.14182	0.3
413.17828	6.5
413.23401	0.4
519.29291	7.6
520.29828	0.4
575.23108	5.3
681.34546	7.6
691.40393	2.6
853.45471	100.0
854.45898	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	854.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.3
67.05505	42.1
68.88937	1.0
69.03443	3.7
69.07061	14.8
69.86187	3.2
76.75846	1.2
79.05495	45.7
81.03439	7.3
81.07056	100.0
83.04980	11.8
83.08619	17.0
85.02927	4.7
85.06545	2.4
91.05482	34.9
93.07047	37.8
95.04970	25.6
95.05524	1.8
95.08606	23.1
96.04465	1.2
97.06534	7.4
97.10180	12.0
99.04472	1.6
99.08128	2.4
105.07034	30.7
107.04952	13.0
107.08599	23.1
109.06519	46.3
109.10151	12.1
111.04459	11.9
111.08062	6.3
115.05459	1.9
117.07027	16.8
119.08590	36.1
121.06508	11.9
121.10152	15.7
123.08078	14.0
123.11749	2.8
125.06045	1.5
125.09631	13.7
128.06230	1.7
129.06999	8.0
131.08580	19.2
133.06538	5.2
133.10147	16.7
135.08072	9.2
135.11714	10.9
137.09608	6.2
139.11110	1.4
143.08574	7.4
145.06535	2.8
145.10126	25.4
147.08051	14.9
147.11687	10.7
149.02386	1.7
149.09607	15.2
149.13347	1.8
151.07436	1.4
151.11208	3.2
153.09079	1.6
153.12769	4.5
155.08592	4.0
157.10100	8.0
159.08070	5.2
159.11711	10.1
161.09608	10.5
161.13292	2.8
163.11176	18.5
163.14803	1.8
165.09140	3.4
165.12746	2.0
169.10153	2.3
171.08060	1.5
171.11723	5.4
173.09641	6.0
173.13316	4.3
175.11249	4.3
175.14767	2.2
177.12816	3.7
181.12270	2.1
183.11754	3.0
184.07426	2.0
185.09613	2.3
185.13263	3.0
187.11238	2.4
189.11246	7.1
189.12688	2.1
191.10715	4.1
195.11815	2.4
197.13266	2.3
199.11215	1.4
199.14787	1.5
205.12332	2.0
207.13861	1.7
213.12886	1.3
217.15959	1.5
219.13879	2.4
219.17461	2.7
223.13254	9.9
227.12717	7.0
227.18057	2.4
229.19415	1.3
231.17491	1.5
245.19188	2.4
249.14946	4.3
255.17494	4.9
255.19955	1.2
257.18976	5.7
273.18512	35.6
275.20071	43.0
283.15451	2.2
289.18143	3.4
291.19550	83.8
292.19894	1.8
293.21161	10.6
309.20749	2.1
329.21091	1.7
333.24319	2.6
347.22195	18.1
349.23734	44.1
350.24750	1.5
365.23260	30.1
365.27594	2.2
367.24847	17.5
383.24286	5.4
519.33362	1.8
589.86359	1.5
621.41516	28.3
639.42529	85.5
640.42603	3.2
657.43616	43.2
658.43628	2.9
854.40613	4.8
860.71838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	6.5
67.05512	6.1
69.03426	4.9
69.07069	1.2
69.44998	1.8
69.45398	1.0
71.07392	0.8
73.02927	4.5
79.05505	1.7
81.03421	2.1
81.07050	4.6
83.08657	0.8
85.02910	9.1
86.09726	2.0
87.04483	0.7
91.03945	4.1
91.05526	0.8
93.07090	1.3
97.02898	7.2
97.10129	0.8
99.04417	0.9
101.02404	2.5
107.08569	0.8
109.02898	1.2
109.10144	4.1
115.03927	1.1
123.11754	0.8
125.00039	0.6
127.03952	2.7
145.87862	0.5
164.17303	0.5
173.11719	1.2
184.07404	2.6
185.04236	1.0
195.09933	0.6
198.97528	0.6
203.05244	0.8
229.14536	0.7
243.08464	1.8
247.94420	0.6
286.55322	0.6
347.09369	3.0
365.10614	1.3
404.05585	0.6
405.13617	5.3
413.17877	8.7
521.30811	7.1
575.23108	5.0
671.49115	0.9
672.49225	1.7
683.36047	8.9
693.41791	2.1
749.62640	0.6
796.48273	0.8
855.47003	100.0
856.47668	3.7
889.04395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02934	46.7
67.05211	5.0
67.05512	60.6
69.03418	7.9
69.07066	11.0
69.88601	6.3
69.88931	7.0
73.02932	19.8
79.05492	33.8
80.62300	3.4
81.03404	6.9
81.07059	68.9
81.07512	7.3
83.08598	8.9
84.04520	3.4
85.02907	59.8
91.03964	51.9
91.05476	16.8
91.94553	4.1
93.07050	40.5
95.08610	58.9
97.02892	29.9
98.22825	5.5
102.74705	4.0
105.07032	12.4
107.08611	37.3
109.10156	33.8
115.03946	5.0
117.07046	7.5
119.08591	14.6
121.10147	36.0
123.11722	20.1
125.00101	5.5
127.03926	27.1
131.08582	21.6
133.10118	15.6
135.11693	22.3
137.13251	4.3
144.06564	9.0
145.04962	34.5
145.10144	15.8
147.11621	9.2
149.13251	22.3
155.15894	3.5
159.11732	10.8
161.13254	11.6
162.07614	37.3
163.06030	61.9
163.14827	16.5
173.13272	16.6
177.16438	5.2
179.14343	5.8
180.08676	13.5
184.07314	14.9
187.14806	10.1
191.14157	4.5
243.21101	35.6
246.24626	4.7
261.19528	7.0
261.22141	100.0
262.34109	4.4
279.23230	8.4
320.37286	4.9
325.11383	4.7
335.25748	33.5
353.26886	89.2
376.20108	3.6
497.31018	9.2
512.44281	4.1
619.95490	4.2
670.37933	4.2
730.85547	5.1
750.91168	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5412
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	3.5
67.05506	42.7
69.03408	1.7
69.06708	2.1
69.07068	24.6
70.74322	1.4
71.04979	4.9
71.07373	1.4
71.11507	2.0
73.02944	1.8
75.57205	1.6
77.03927	1.9
79.05491	41.5
81.03413	6.3
81.07056	100.0
83.04984	8.3
83.08611	15.1
85.02903	3.3
85.06525	4.6
86.09708	4.6
91.05482	36.0
93.07042	39.3
95.04974	13.9
95.08611	32.7
97.02914	2.7
97.06540	12.9
97.10162	5.7
99.08089	4.0
105.04569	1.6
105.07023	32.5
107.04937	11.9
107.08596	25.6
109.06524	29.1
109.10153	13.9
111.08084	6.0
117.07034	12.8
119.08578	28.9
121.06532	7.2
121.10156	17.4
123.04522	1.3
123.08054	10.1
123.11713	8.4
124.99996	4.1
125.09615	3.4
128.06194	2.0
129.06984	3.7
131.08571	17.6
133.06511	1.8
133.10129	18.1
135.08043	5.9
135.11696	8.3
137.09590	4.3
139.11172	1.8
141.07030	2.1
141.09094	2.0
143.08577	3.5
145.06541	2.2
145.10104	14.7
147.08052	2.9
147.11673	20.6
149.09642	7.8
149.13242	6.8
151.11220	4.1
155.08582	1.5
156.98512	1.5
157.10121	4.0
159.08119	2.1
159.11653	10.1
161.09602	3.4
161.13249	5.7
163.11226	8.1
163.14801	2.8
165.12770	4.3
171.11710	3.9
173.09494	1.6
173.13277	5.9
175.11172	3.3
177.12692	3.8
183.11702	3.5
184.07343	23.2
185.13271	2.4
187.11185	1.6
187.14864	2.9
189.11186	1.9
193.12152	1.6
207.13939	1.5
211.11046	1.6
211.13094	1.7
227.12726	2.8
229.14351	2.2
229.19337	3.1
239.17860	2.3
247.20679	4.2
249.21846	1.4
257.18970	4.4
267.15762	2.3
273.18414	3.6
275.20062	63.6
276.20694	1.8
277.21503	2.2
289.18005	3.5
291.19507	3.0
293.21124	13.9
335.25937	9.5
347.50211	1.5
349.23709	51.7
351.25299	3.2
352.67676	1.4
365.23239	2.3
367.24777	76.1
371.21915	1.7
381.22577	1.9
489.35693	2.1
583.39795	2.0
623.42902	38.4
641.44153	55.1
642.44214	3.4
659.45123	47.2
856.45184	12.8
857.46295	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	2.5
63.65333	1.1
65.03939	5.1
67.05507	59.1
69.03419	4.3
69.07070	30.6
71.04980	4.5
75.23899	1.0
77.03955	1.3
79.05498	53.0
79.11986	1.3
81.03422	11.6
81.07059	65.2
83.04982	20.4
83.08622	51.2
83.73975	1.1
85.02905	5.8
85.06548	4.2
86.09687	2.3
90.76807	1.2
91.05482	50.7
93.07051	55.1
95.01349	2.0
95.04974	85.7
95.08614	37.9
97.02886	2.8
97.06535	11.5
97.10174	17.0
99.04485	6.9
99.08082	2.5
105.04543	2.8
105.07039	53.5
107.04956	19.0
107.08600	48.2
109.06532	16.5
109.10168	18.7
111.04440	14.9
111.08083	10.1
116.70796	1.3
117.07021	19.5
119.07739	2.3
119.08590	44.7
121.06532	8.1
121.10152	27.3
123.08084	11.8
123.11708	4.3
125.06004	1.4
125.09643	14.4
127.07520	1.6
128.06189	1.9
129.07008	10.1
131.08580	29.9
133.06534	2.2
133.10129	31.4
135.08061	9.5
135.11702	15.5
137.09604	5.3
139.11165	3.3
141.07060	2.2
142.07813	2.1
143.08575	8.3
145.06563	2.4
145.10120	33.8
147.08031	6.6
147.11684	20.2
149.08473	2.5
149.09621	37.5
149.13243	4.4
151.11218	2.9
153.09119	3.4
153.12700	2.7
155.08556	3.4
156.48666	1.1
157.10110	7.1
159.08089	1.6
159.11696	17.1
161.09615	4.4
161.13242	7.5
163.11186	41.3
163.14883	1.2
165.12775	5.0
169.10130	6.2
171.11668	7.8
173.09595	4.7
173.11852	2.4
173.13272	8.8
175.11168	4.4
175.14836	2.2
177.12788	5.5
181.12141	2.8
183.11688	5.2
184.07251	5.6
185.13263	3.8
187.11185	5.7
187.14774	2.6
189.11230	15.6
189.12743	3.0
191.10643	3.2
191.14355	2.5
193.12195	2.9
195.11690	2.2
197.13281	4.2
199.14789	1.9
201.12827	2.2
205.12320	6.0
206.68817	1.2
207.13722	1.3
211.13170	2.4
211.14970	1.7
219.13829	1.6
219.17392	1.9
223.13297	49.7
227.12706	6.5
227.17894	1.4
229.14319	2.0
229.19518	3.4
237.14761	1.6
239.18031	4.4
241.19580	2.7
247.20592	3.0
257.18982	14.1
259.20575	5.0
267.15884	1.2
273.18445	3.4
275.20071	87.3
276.20377	1.8
291.19577	4.6
293.21103	51.7
302.34225	1.2
309.20749	1.2
311.22037	1.6
322.97565	1.4
328.01294	1.4
331.22794	3.3
333.24326	8.5
347.22208	2.4
349.23730	66.8
350.24249	2.2
350.90033	1.3
352.87000	1.3
365.23059	3.1
367.24799	100.0
368.25183	1.6
387.58722	1.3
503.33627	1.5
513.36060	2.4
515.32959	1.3
543.36658	2.3
583.39966	2.3
585.44421	1.5
605.41608	2.5
623.43042	32.8
641.44116	57.7
642.43896	1.8
659.45245	58.9
795.36975	1.7
853.31592	1.5
856.45154	2.5
857.46808	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	2.5
65.03933	4.1
67.05504	53.8
69.03423	3.9
69.07069	32.0
69.16019	2.1
69.16425	4.8
71.04636	1.1
71.04990	5.9
77.03910	1.7
79.05489	50.0
79.29411	1.0
81.03410	8.4
81.07056	92.1
83.04977	13.6
83.08617	34.1
85.02900	3.7
85.06539	4.5
86.09699	2.1
91.05479	45.5
93.07042	45.2
93.29893	1.1
95.04965	49.9
95.08604	34.6
95.09216	1.9
97.06527	12.8
97.10183	10.1
99.04415	4.8
99.08083	4.1
103.05464	1.2
105.04517	2.6
105.07030	42.2
107.04957	16.7
107.08590	37.1
109.06516	24.0
109.10146	17.6
111.04438	8.9
111.08085	7.1
113.09627	1.1
115.05431	1.9
117.07005	11.9
119.08580	39.2
121.06492	7.4
121.10142	26.0
123.08072	9.2
123.11700	6.9
124.99972	1.2
125.08881	1.2
125.09655	8.2
129.06995	6.0
130.07765	1.3
131.08560	21.8
133.06503	2.2
133.10121	27.9
134.10434	1.6
135.08072	7.9
135.11690	12.6
137.09602	5.4
139.11133	2.9
141.06996	1.7
142.07806	1.4
143.08585	5.8
145.06493	2.1
145.08974	1.5
145.10121	23.9
147.08049	5.4
147.11687	22.5
149.09615	22.9
149.13211	5.8
151.07474	1.2
151.11177	4.6
153.12767	1.2
155.08563	2.5
157.10158	4.9
159.08084	2.0
159.11694	14.8
161.09616	2.8
161.13269	5.0
163.11177	25.2
163.14766	2.0
165.12743	7.2
169.10104	4.7
171.11728	4.0
173.09602	2.2
173.11801	2.1
173.13254	5.5
175.11208	3.9
175.14793	1.9
177.12755	4.4
179.14214	1.2
181.12234	2.3
183.11684	4.4
184.07329	3.4
185.13329	2.5
187.11156	2.7
187.14767	2.1
189.11191	6.5
189.12692	1.6
191.14281	2.1
193.12273	2.7
195.13837	2.2
197.13235	2.6
199.14966	1.2
201.12756	2.1
201.16388	1.7
205.12242	3.9
207.13777	1.5
211.14917	1.8
223.13269	19.8
227.12788	3.5
229.14328	3.1
229.19513	4.4
233.15155	1.3
239.17952	3.9
247.20528	4.3
257.18970	9.3
267.15997	2.3
269.17502	3.0
273.18585	1.7
275.20059	84.2
276.20477	2.5
291.19495	1.6
293.21072	36.9
311.22388	1.2
331.22699	1.7
349.23724	71.6
350.24161	1.9
350.65936	1.2
353.79208	1.1
358.82220	1.2
367.24768	100.0
368.25146	2.7
503.33505	2.9
529.34930	1.6
543.36505	6.5
567.39905	2.3
623.43066	37.0
641.44098	65.3
642.44366	2.8
659.45111	59.3
660.45239	2.8
680.61810	1.1
709.07147	1.1
784.60614	1.2
856.44464	2.9
857.46106	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
65.03941	4.8
67.05506	86.2
69.03419	10.7
69.07069	46.3
69.29691	10.4
71.05000	12.0
73.02899	3.5
77.03907	2.5
79.05492	84.2
81.03411	14.7
81.07058	100.0
82.07383	4.1
83.04989	16.2
83.08622	33.2
85.02898	9.2
85.06528	5.8
91.05480	85.9
91.06055	4.3
92.05816	2.1
93.07043	81.2
95.04963	44.2
95.08603	48.3
97.02885	6.4
97.06525	28.2
97.10167	13.3
99.04449	4.0
99.05074	1.6
99.08070	4.8
103.05476	3.1
103.61044	1.9
105.04539	3.8
105.06345	3.6
105.07034	66.0
107.04946	22.2
107.08593	59.0
109.02878	3.1
109.06521	19.3
109.10154	23.1
111.04449	8.0
111.08093	11.3
115.05444	3.1
115.07575	3.6
117.07015	31.2
119.08583	55.2
121.06487	9.5
121.10142	30.0
123.08082	9.5
123.11697	4.9
125.05999	3.1
125.09632	18.1
128.06226	3.8
129.07025	15.4
130.07735	2.8
131.08568	40.1
133.06487	5.0
133.10129	38.5
135.08040	8.7
135.11673	20.5
137.09628	6.0
139.11188	2.4
141.06949	4.4
142.07767	3.2
143.08565	13.0
145.06471	3.6
145.10138	34.0
147.08031	6.7
147.11678	19.2
149.09605	22.7
149.13234	12.9
151.11211	4.9
153.09070	2.7
153.12755	2.2
155.08562	7.1
155.10559	1.8
156.09302	2.1
157.10117	13.8
159.11703	28.8
161.09599	5.4
161.13229	8.0
163.11188	22.7
165.12752	5.3
167.08524	3.6
169.10118	11.1
171.10417	2.4
171.11629	12.6
173.04456	4.6
173.09625	2.5
173.11934	2.6
173.13268	12.4
175.11153	4.5
175.14886	1.8
177.12770	5.5
181.10201	3.9
181.12192	1.9
183.11685	8.1
184.07315	7.6
185.13222	9.2
187.11188	3.8
187.14755	3.0
189.11232	7.4
189.12747	3.3
195.11765	2.9
195.13727	3.5
197.13219	5.2
199.14784	4.2
201.16333	2.3
203.14267	3.2
205.12228	2.7
209.13231	1.7
211.14940	3.2
213.16373	2.9
216.29408	1.9
217.15878	3.8
219.17342	5.1
220.17796	2.7
223.13272	12.9
227.12735	10.8
229.14384	7.9
229.19542	4.4
233.15366	3.5
237.16446	2.0
239.18030	5.0
247.20557	4.3
251.16451	1.9
255.15994	6.2
257.18951	15.9
259.20593	5.7
267.15857	6.3
269.17468	26.8
271.20410	1.7
273.18466	5.5
275.20050	72.0
276.20428	3.8
291.19531	9.8
292.19949	2.1
293.21109	20.3
309.20587	6.0
331.22491	5.4
333.24100	6.7
347.21863	2.6
349.23706	60.3
351.25061	2.1
365.23419	3.8
367.24808	23.6
441.88873	1.9
463.30353	3.0
485.31921	1.9
503.33490	5.6
525.35193	3.0
527.37195	3.9
529.35101	5.9
531.38092	2.0
543.36780	23.1
547.36023	6.8
557.38062	3.1
561.37860	20.1
583.39777	9.1
595.43127	2.1
601.40668	5.4
605.41791	4.7
623.42999	29.4
641.44006	28.8
642.44507	2.3
659.44623	6.3
856.45221	29.0
857.46411	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39359	1.6
61.02932	3.1
65.03942	4.5
67.05510	87.5
69.03419	5.8
69.06708	2.0
69.07073	25.0
69.16625	9.9
71.04993	8.4
75.92336	1.4
77.03934	1.7
79.05041	3.2
79.05498	57.0
81.03428	9.4
81.07062	100.0
83.04987	9.9
83.08615	13.1
85.02892	2.8
85.06530	4.7
85.46426	1.4
91.05488	52.9
93.07052	75.8
95.04968	12.1
95.08612	61.1
95.09217	3.2
97.02879	4.3
97.06541	10.6
97.10160	6.4
98.23448	2.7
99.08093	1.6
103.05410	1.4
105.04511	3.6
105.07036	35.3
107.04949	3.5
107.08599	45.2
109.02908	2.0
109.06542	8.8
109.10165	32.4
111.04452	2.5
111.08090	7.0
113.09599	1.6
115.05470	2.9
117.07017	19.9
119.08595	30.3
121.06509	4.4
121.10152	28.9
123.08078	4.0
123.11691	5.1
125.09623	4.4
129.05478	2.1
129.06999	8.4
131.08574	27.1
133.10144	22.8
135.08093	4.0
135.11690	12.8
137.09604	4.4
139.11183	2.0
141.06990	1.5
143.08549	6.4
145.10139	16.5
147.11713	15.2
149.09633	2.9
149.13280	10.0
155.08603	3.3
155.10641	2.5
157.10144	6.1
159.08144	1.8
159.11694	12.8
161.13281	6.1
163.11165	2.8
163.14795	2.8
169.10135	2.8
171.11694	3.7
173.04477	1.8
173.11771	3.4
173.13307	6.6
175.14786	3.0
177.12737	1.8
183.11748	3.2
185.13283	5.5
187.14803	5.8
189.11330	1.7
197.13205	2.2
199.14844	4.8
201.16415	2.6
217.15945	4.1
219.17534	2.1
229.14336	17.3
235.17070	1.8
243.21085	3.4
257.19067	3.7
261.22150	10.9
267.16064	1.9
269.17480	14.1
275.20102	21.1
291.19614	3.4
309.20575	5.8
317.24716	2.5
333.24429	1.7
335.25821	86.5
336.26254	2.4
349.23743	21.6
363.25415	2.6
369.24081	1.5
413.21832	3.2
414.50272	1.7
437.33957	1.8
453.24954	8.1
489.35739	13.0
507.36462	3.1
511.37219	2.6
529.38928	50.7
569.42023	84.7
570.42175	4.3
609.45209	37.3
627.45905	5.2
641.48206	11.2
659.42126	1.9
673.42810	4.5
713.45923	6.7
731.47131	2.8
857.48181	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	858.513
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	3.6
67.05511	40.6
69.03425	3.0
69.07075	19.0
71.04958	2.7
79.05499	33.5
81.03455	2.9
81.07064	64.8
83.04999	2.7
83.08623	8.0
85.02940	2.5
91.05492	29.9
93.07050	38.0
94.44521	2.4
95.04964	10.5
95.08614	33.7
97.06541	4.6
97.10186	3.5
105.07025	19.5
107.04945	5.0
107.08605	20.2
109.06542	6.0
109.10158	13.2
109.92625	2.6
114.70531	2.4
117.01074	2.8
117.07029	9.7
119.08579	23.4
121.06499	3.9
121.10151	18.2
123.08074	11.5
123.11736	4.6
123.66870	2.5
129.06999	5.4
131.08586	13.0
133.10155	9.8
135.11754	5.6
137.09596	2.6
143.08463	3.0
145.10135	11.4
147.08061	7.0
147.11688	7.6
149.09624	7.2
155.08569	3.0
157.10071	4.5
159.08076	3.3
159.11722	7.6
161.09662	3.2
163.11198	6.0
171.11694	3.9
173.09789	3.0
173.13318	5.3
175.11249	4.5
175.53201	2.3
227.17975	2.9
243.20924	3.4
249.31525	2.6
255.17480	5.2
261.22144	10.1
273.18564	21.0
275.20026	3.6
291.19498	40.7
309.16238	6.1
335.25797	100.0
347.22351	5.3
348.16736	3.0
383.19907	24.7
401.20932	46.1
410.01996	2.4
501.35352	3.3
547.07697	3.5
607.43176	3.5
625.44391	15.0
643.41083	25.2
661.42426	42.9
858.49786	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	858.5568
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	6.5
61.02935	4.2
61.10191	2.4
63.35992	2.1
65.03938	6.5
67.05505	94.9
69.03425	9.2
69.07066	26.1
69.99438	7.8
70.06591	5.8
71.03905	2.3
71.04991	7.1
71.07363	3.5
73.02924	2.9
79.05492	65.4
81.03437	18.1
81.07059	100.0
82.07357	2.6
83.04975	10.5
83.08623	13.9
85.02901	5.8
85.06559	5.9
86.04092	2.7
86.09712	29.7
91.03957	2.5
91.05481	49.9
93.07046	69.6
94.07384	4.2
95.04968	26.8
95.08607	51.3
97.02887	4.6
97.06528	20.0
97.10157	10.4
98.98450	3.8
99.08104	11.6
104.10727	6.2
104.83777	2.5
105.04476	4.2
105.07028	33.1
107.04950	8.6
107.08595	36.9
109.06516	17.4
109.10149	32.7
111.08092	5.0
113.06014	2.9
115.07560	2.7
117.07021	14.8
119.08606	28.3
121.06521	9.1
121.10151	30.5
123.08066	10.9
123.11756	5.9
124.99995	18.3
125.09615	9.2
127.07562	4.3
128.06285	2.6
129.06999	9.3
131.08556	22.7
133.06450	3.2
133.10127	15.8
135.08078	4.1
135.11700	15.7
137.09581	5.8
138.25163	2.5
143.08548	5.2
145.10115	16.9
147.08017	7.5
147.11661	13.8
149.09622	10.3
149.13237	8.5
151.11224	3.2
153.08981	3.0
155.08533	4.8
157.10114	6.9
159.08063	2.5
159.11699	9.3
161.09625	6.2
161.13268	8.1
163.11166	6.1
169.10089	4.2
171.11659	7.3
173.11833	5.4
173.13301	8.1
175.11176	4.8
177.12775	3.5
183.11632	4.0
184.07341	93.5
185.07683	4.1
185.13255	3.0
185.49873	2.3
189.11252	3.4
189.88847	2.3
193.12260	4.8
208.59486	2.4
217.15939	2.8
227.12755	2.6
229.14418	11.3
231.39499	2.5
243.21162	4.9
260.09674	2.4
261.22089	13.0
267.15961	10.7
269.17499	10.0
273.18509	17.0
275.19968	5.6
291.19498	22.1
307.19116	5.3
333.24393	2.7
335.25793	83.3
347.22134	8.8
349.23679	4.4
365.23163	12.7
367.24844	3.5
383.24316	3.4
489.35501	9.5
527.37067	5.8
529.38953	21.6
545.38336	9.3
565.26251	3.0
567.40369	5.6
585.41650	4.2
607.43311	7.7
625.44495	37.6
643.45490	30.8
661.46002	6.4
672.78815	2.5
839.81061	3.2
858.46216	50.6
859.47729	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05517	1.6
81.07040	2.1
86.09715	1.5
115.00620	0.9
161.09497	0.9
183.45544	1.0
184.07390	3.5
196.45314	0.9
200.52774	0.9
214.26031	0.9
235.27409	0.9
256.55331	0.9
273.63818	1.0
308.49124	0.9
326.92761	1.0
355.92487	1.2
534.51294	1.0
581.23169	1.1
603.25275	1.2
859.46014	100.0
860.46698	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	860.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19313	0.2
61.02925	2.2
65.03948	0.8
69.03433	8.2
69.78838	0.2
69.79189	0.6
71.01355	0.9
71.04995	0.2
72.04495	0.3
72.37272	0.2
73.02919	10.9
77.03925	0.4
79.05492	1.3
81.03426	1.4
85.02908	10.8
87.04461	0.6
91.03955	0.4
91.05477	0.7
95.04973	1.0
97.02895	13.9
99.04436	0.5
103.03919	0.3
103.05469	0.8
105.04537	0.4
105.07033	12.5
107.04956	25.8
109.02872	0.9
111.04424	1.0
115.03938	6.9
115.05450	2.6
119.04926	1.8
121.02870	29.9
123.04428	1.1
125.02280	0.2
127.03924	3.0
131.04936	0.7
133.06490	77.3
134.06810	0.8
135.04388	1.0
143.04883	1.7
144.05702	3.4
145.04990	3.1
147.04424	0.7
148.05251	0.3
149.05948	1.2
150.07620	0.8
157.06497	0.5
161.05980	49.6
162.06276	0.5
163.06042	1.4
165.07063	0.3
166.07726	0.3
167.08533	0.3
170.86768	0.2
171.05530	4.8
181.06421	1.0
181.10146	0.8
185.06047	0.5
187.05927	0.2
190.07779	0.5
191.08560	3.9
191.10201	0.4
191.38982	0.2
193.05000	0.4
194.07262	1.8
195.08058	0.7
197.08109	0.2
199.07594	0.2
201.06963	0.7
202.07559	0.2
203.07047	0.7
209.09627	4.3
211.05957	1.3
213.09146	2.0
218.07292	1.0
219.08052	12.5
220.08664	0.4
223.05989	0.7
225.09030	0.4
227.10713	2.1
229.07536	2.6
233.09621	0.2
236.08356	0.2
237.09099	59.2
238.09421	1.3
241.07030	1.3
247.08739	0.9
255.10159	100.0
256.10526	1.8
259.08209	1.5
259.10721	0.3
261.09064	0.3
265.09174	0.5
279.10156	0.9
295.10254	6.5
297.11224	2.3
303.09985	0.2
311.37357	0.2
321.11118	0.8
325.11121	0.6
333.11151	0.4
351.12198	0.6
369.13226	0.4
387.14383	0.7
417.15387	0.5
445.89389	0.2
455.71680	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	861.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08201	0.3
61.02928	1.3
67.05511	2.0
67.68819	0.3
69.03429	0.9
69.07076	0.3
69.24796	1.3
69.25218	0.5
73.02920	0.8
79.05496	1.3
81.03442	0.4
81.07049	1.5
83.08637	0.4
85.02897	1.9
86.09711	0.4
91.03982	0.9
91.05482	0.8
93.07063	1.2
95.08626	0.9
97.02897	1.0
97.06558	0.4
101.02384	0.6
105.07024	0.6
107.08611	0.7
109.10143	0.5
109.91985	0.3
121.10175	0.8
127.03982	0.4
133.10133	0.3
135.11629	0.4
159.71783	0.3
184.07372	1.6
185.04308	0.4
192.57076	0.4
228.16449	0.3
243.08467	0.8
258.54547	0.3
276.72580	0.3
292.76871	0.3
303.19528	0.9
356.11746	0.3
359.60291	0.3
365.19739	0.7
519.29364	3.0
521.26990	0.7
528.28235	0.3
535.26721	0.8
583.26862	0.5
717.42316	0.4
737.38342	0.4
799.49597	7.3
799.63379	0.6
843.48682	2.4
861.47821	100.0
862.48114	5.1
875.77679	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	2.0
67.05499	1.9
67.31267	0.3
67.45931	0.3
69.03434	0.9
69.07090	0.9
73.02921	1.7
79.05518	0.9
81.03442	0.5
81.07059	1.4
83.05013	0.3
83.08663	0.4
85.02905	2.1
91.03992	0.8
91.05488	1.0
93.07039	1.3
95.04999	0.4
95.08633	1.2
97.02892	1.9
99.04465	0.5
100.62019	0.2
101.02400	0.6
105.07076	0.6
107.08633	0.9
109.02915	0.5
109.10172	0.4
113.11800	0.3
117.07081	0.3
118.81599	0.3
119.08608	0.3
121.10230	0.6
122.79288	0.3
127.03936	0.6
133.10158	0.5
135.11774	0.5
145.10214	0.3
147.34579	0.3
184.07498	0.5
185.04282	0.6
243.08369	1.4
277.73767	0.3
301.09073	0.3
315.10425	0.6
365.19394	0.8
371.16956	0.9
373.11108	0.3
427.19360	0.5
443.59100	0.3
455.19174	0.6
467.18341	0.3
519.29291	3.4
535.27844	0.3
583.26917	1.5
591.31848	0.8
705.41595	0.3
733.41351	0.4
735.42511	1.1
759.42902	0.9
773.45410	0.5
799.50018	0.4
825.47430	0.4
843.48260	0.6
861.48840	100.0
862.49146	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	861.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64663	0.5
61.02931	4.1
61.11854	0.5
67.05505	4.3
69.03431	2.5
69.07073	0.8
69.24584	3.0
73.02908	2.9
76.32378	0.5
79.05512	3.7
81.03442	2.2
81.07069	3.9
81.16728	0.5
83.04973	4.0
85.02921	3.6
86.09736	1.8
91.03967	2.8
91.05506	2.1
93.07075	2.0
95.08615	3.2
97.02893	3.8
99.04449	1.0
101.02419	1.6
105.07084	1.3
107.08663	1.7
109.02905	0.9
109.06609	0.5
109.10167	1.5
119.08628	1.2
121.10134	0.7
125.00032	1.4
127.03970	0.9
131.08614	0.8
133.10153	0.7
140.12460	0.5
147.11758	0.6
184.07381	4.8
243.08423	1.4
260.48013	0.6
281.72580	0.6
303.19461	1.8
335.25815	0.6
365.19485	2.2
469.20117	0.8
506.23874	0.7
519.29181	5.3
521.27515	3.1
583.27496	1.8
636.87982	0.6
717.41772	0.8
762.43530	0.5
777.42755	0.9
799.49640	22.4
800.49951	0.6
843.48431	5.2
861.48981	100.0
862.49457	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	861.5345
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	4.0
64.36915	0.8
67.05509	3.2
68.23581	0.8
69.03419	3.3
73.02916	3.9
79.05489	2.7
81.07059	3.7
84.60990	1.0
85.02937	4.7
91.03957	2.6
91.05466	1.6
93.07034	3.3
95.08617	3.6
97.02892	4.1
101.02363	1.4
107.08596	1.0
109.10177	1.7
121.10147	1.3
127.04021	1.2
162.44551	0.9
165.54814	0.9
184.07242	1.5
185.04272	1.0
243.08466	1.2
365.22992	3.9
415.75668	1.1
519.29559	4.9
583.30786	1.1
621.65472	1.0
717.42169	1.3
731.43256	1.1
861.53143	100.0
862.53717	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	863.4682
Annotation	Etamycin B
Peak:m/z	Relative Intensity
61.02929	3.3
67.05502	4.3
69.03435	2.8
69.07069	1.9
71.01369	1.3
73.02911	2.6
79.05495	4.1
81.03428	1.4
81.07066	4.8
85.02914	4.0
91.03966	1.8
91.05483	1.8
93.07036	3.6
93.53083	0.7
95.08633	1.9
97.02898	2.8
101.02375	1.7
103.03934	0.9
105.07037	1.1
107.08626	1.9
108.20441	0.7
109.79553	0.7
119.08600	1.6
121.10146	1.3
123.08048	0.8
135.11697	1.3
137.26840	0.7
145.10107	1.1
243.08409	1.5
331.19092	1.2
413.93411	0.8
519.29498	5.6
549.26355	1.2
585.23608	1.1
827.49213	1.3
863.46606	100.0
864.47009	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	863.5135
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.7
67.05506	3.5
69.03426	2.1
69.07078	1.0
70.69442	0.5
71.05030	0.4
73.02927	3.0
79.05501	2.3
81.03407	1.5
81.07064	3.8
83.04980	0.5
83.08628	0.5
85.02911	3.8
85.06544	0.4
91.03952	2.2
91.05480	2.0
93.07035	2.5
95.04954	0.6
95.08598	2.6
97.02898	3.7
97.06548	0.5
99.04505	0.4
101.02419	1.5
105.07069	1.3
107.04936	0.3
107.08599	1.5
108.40039	0.3
109.02943	0.4
109.06572	0.5
109.10172	1.1
115.03963	0.5
117.06981	0.3
117.84351	0.3
119.08588	0.9
121.10171	1.6
126.50230	0.3
127.03906	0.7
127.31705	0.4
131.08623	0.8
133.10155	0.4
135.11755	1.0
140.23828	0.3
142.34282	0.3
145.05009	0.3
145.10178	0.5
147.11723	0.5
149.09656	0.3
183.01653	0.4
183.90648	0.4
184.07425	0.5
203.05386	0.4
243.08406	1.9
268.04852	0.3
274.89200	0.3
335.25940	0.7
345.51428	0.3
367.20935	5.5
423.24283	0.4
441.21332	0.6
492.12378	0.3
519.29260	4.1
552.28558	0.4
554.21881	0.3
566.93671	0.4
584.25830	0.4
585.28833	2.9
719.45209	0.4
863.51129	100.0
864.51764	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	866.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	0.5
65.03928	0.6
67.05502	16.3
69.03431	0.2
69.07062	4.6
70.06577	0.5
71.04980	0.6
71.07370	5.9
72.82938	0.3
79.05487	8.5
81.07053	15.5
83.04978	0.6
83.08628	1.8
85.06544	0.5
86.09703	35.4
91.05480	4.4
93.07042	9.9
95.04964	1.0
95.08604	12.7
95.25585	0.2
97.06522	1.0
97.10164	0.7
104.10739	8.4
105.04502	0.5
105.07025	2.7
105.11086	0.3
107.08591	4.8
107.40656	0.2
109.06507	0.6
109.10158	5.1
111.08085	0.3
113.06080	0.2
117.07025	0.8
119.08585	2.0
121.10142	3.7
123.08054	0.6
123.11716	1.1
125.00018	0.5
131.08583	1.5
133.10112	1.5
137.13263	0.4
145.10109	1.4
146.98170	53.2
147.11691	1.0
149.09656	0.2
149.13248	0.9
159.11684	0.7
161.13280	0.7
163.04851	0.3
163.14810	0.3
164.99252	0.9
173.13290	0.7
184.07307	1.2
187.14888	0.3
188.00851	0.8
240.09929	0.3
261.22195	0.4
289.17975	0.6
335.17099	0.5
335.25787	13.6
336.26288	0.6
353.18176	0.3
357.23883	2.2
367.19601	0.5
481.23257	38.4
482.23608	1.0
540.30597	100.0
541.31165	2.7
807.42981	0.3
856.65039	0.3
866.52173	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12634	0.6
65.03940	2.7
67.05500	0.9
68.99783	7.0
77.03934	0.8
79.05477	0.7
81.03407	3.4
83.04973	0.6
85.02927	0.7
89.03914	1.7
91.05439	0.6
93.03398	3.1
95.04969	2.3
97.58724	0.5
99.04478	0.8
103.05430	0.6
105.03369	1.0
107.04947	4.8
109.02856	3.3
111.00797	3.1
111.04440	7.5
111.06187	0.5
115.05444	0.8
117.03354	1.5
119.04946	1.9
121.02868	1.7
123.04424	53.9
124.04815	0.6
127.03910	100.0
128.04285	0.9
131.04887	2.9
135.04410	55.9
137.02347	3.8
137.05911	0.6
139.03894	43.8
140.04251	0.8
141.06992	1.1
143.04927	1.5
145.02858	0.9
145.06497	0.6
147.04405	8.6
149.02318	6.6
149.05981	2.3
151.03894	14.1
151.05046	1.1
153.07021	0.9
155.04915	1.4
157.06453	0.7
159.04416	4.2
161.05988	5.1
163.03896	47.1
164.04265	0.7
165.05450	4.2
167.03397	5.6
169.05020	1.2
169.06499	2.6
170.98846	0.5
173.05977	5.1
175.03938	2.7
177.05452	4.9
177.95805	0.5
179.03387	5.5
179.07008	0.6
181.04973	1.7
181.06482	0.9
183.04391	1.8
185.05988	1.3
187.03844	7.5
187.05074	0.7
187.07504	0.9
189.05457	2.1
191.03377	7.6
193.04906	3.3
197.05937	3.9
201.05478	7.3
203.03363	7.2
203.07086	2.7
205.04956	2.9
207.06494	1.4
211.04158	0.8
213.05530	2.1
215.03418	1.9
215.07040	3.6
217.04985	2.5
219.06483	1.1
225.05457	2.4
229.04953	9.0
231.06532	3.0
233.04362	4.6
237.05376	0.8
241.05016	2.5
243.02864	0.7
243.06490	5.8
245.04466	21.3
247.06015	31.1
251.05522	0.8
253.04953	1.9
255.02834	0.7
255.06544	1.9
257.04443	15.3
258.05014	1.5
259.06015	8.4
261.07553	3.2
267.06601	0.8
269.04434	5.2
271.05984	21.6
272.06418	0.9
273.07584	1.0
275.05478	13.7
281.04428	1.9
283.05994	7.4
285.07611	0.8
287.02322	1.3
287.05493	21.3
289.07043	30.2
291.08633	22.5
295.06018	1.0
296.49030	0.6
299.05432	6.5
301.07047	9.7
303.05505	0.7
303.08472	2.8
309.03903	3.6
311.05444	1.3
313.07260	1.3
323.05469	0.9
329.06564	1.2
333.09930	0.9
343.08173	0.8
351.04935	0.8
361.07120	0.7
377.06406	1.1
379.08112	1.1
381.10098	0.7
389.06720	0.7
391.08133	1.5
393.05923	2.0
397.08942	1.6
401.06610	1.1
405.05914	2.8
407.07584	5.9
409.09152	30.6
411.10706	3.4
419.07498	2.5
421.09082	2.7
425.08569	2.2
427.10254	20.9
433.09589	1.4
435.10757	2.2
437.08514	2.9
439.10019	3.3
449.08810	1.0
451.10342	3.5
453.11945	3.4
469.11395	0.9
524.12341	0.6
527.09497	1.7
529.11401	0.9
545.10828	5.1
557.10889	0.9
559.11926	1.0
561.13715	1.6
571.11853	1.2
577.13293	0.9
579.14844	9.0
589.13379	0.7
697.15277	2.5
715.15881	0.9
861.77332	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.213
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.6
65.04272	0.6
67.01863	1.1
67.05507	0.9
68.99786	9.0
69.80747	1.4
77.03918	0.9
79.05447	0.9
81.03412	3.6
85.02888	1.0
89.03922	2.0
91.05463	1.1
93.03411	1.8
95.04973	2.4
98.22734	0.8
99.04441	1.3
105.03375	1.5
105.04535	0.6
107.04956	5.5
109.02880	3.9
111.00798	6.1
111.04437	6.1
115.05444	0.9
117.03379	1.2
119.04931	1.5
121.02853	2.0
123.04427	56.5
124.19363	0.4
125.77852	0.5
127.03912	100.0
128.04222	1.0
129.06996	1.1
131.04893	2.8
135.04411	50.3
136.04764	0.6
137.02365	4.3
137.06007	0.9
139.03896	47.4
140.04210	0.5
141.06984	1.1
143.04869	1.1
145.02802	1.1
145.06487	1.4
147.04388	6.7
149.02348	5.9
149.05984	2.0
151.03905	11.7
153.01904	0.6
153.06989	0.8
155.04912	1.5
157.06485	1.4
159.04413	4.0
161.02376	1.1
161.05977	4.9
163.03899	53.3
164.04375	0.9
165.01772	0.9
165.05455	5.3
167.03413	6.2
169.04951	1.8
169.06493	2.2
171.04457	0.5
173.02383	0.6
173.05965	4.3
175.03926	3.2
175.07503	0.6
177.05472	5.9
179.03384	7.2
181.05002	0.9
181.06508	1.6
183.04359	2.2
185.05951	2.4
187.03850	6.4
187.07509	0.6
189.05501	3.1
191.03368	10.3
193.04938	2.6
197.05974	4.0
199.03944	0.4
201.05444	9.8
203.03372	11.4
203.07092	2.4
205.05000	2.8
207.02861	0.5
207.06680	1.1
209.06136	0.7
211.03864	0.5
211.07558	0.7
213.05394	2.9
215.03543	2.7
215.07013	3.2
217.04930	2.8
219.06369	0.9
223.02365	1.3
225.05402	2.3
227.03476	0.6
227.07019	0.8
229.04951	11.1
230.05664	0.7
231.02843	0.8
231.06485	1.4
233.04457	4.5
235.02274	0.6
237.05458	1.3
239.07066	0.6
241.04962	3.1
243.02771	0.7
243.06509	4.8
244.03757	0.6
245.04449	50.8
246.04942	0.7
247.06009	41.5
248.06334	0.9
251.05289	1.0
253.04868	2.4
255.06537	3.0
257.04434	12.9
258.05157	1.0
259.05963	9.7
261.07578	2.0
263.05508	1.3
265.04892	0.8
269.04337	3.0
271.05991	22.8
273.07523	1.6
274.04706	3.0
275.05469	18.0
281.04544	1.6
283.06012	10.9
285.04022	1.3
285.07574	0.9
286.04794	0.9
287.05478	18.3
289.07040	27.0
291.08627	21.8
293.04562	0.6
295.05930	1.9
297.03940	2.2
297.07349	0.9
299.05521	5.2
301.07047	11.8
303.05197	1.0
303.08731	1.7
307.05957	1.3
309.03983	2.3
309.07495	0.6
311.05478	1.5
313.07019	2.0
315.05402	0.6
319.05911	0.7
321.07495	0.9
323.05548	2.1
331.08185	1.1
345.07767	0.6
349.07065	0.7
351.05011	2.7
361.06863	1.2
363.04733	0.6
363.08820	0.5
365.06427	1.9
377.06622	1.0
379.08078	2.6
383.07623	2.7
389.06525	1.8
391.07993	2.6
393.05847	4.4
395.07535	1.4
397.09140	5.7
405.05957	3.9
407.02228	1.0
407.07602	16.5
409.09164	25.7
410.09583	0.7
411.10709	4.1
417.05875	0.8
419.07590	2.9
421.09164	2.7
425.08633	6.9
427.04355	0.8
427.10208	16.7
428.10406	0.7
433.09180	2.2
435.10986	0.8
437.08701	6.1
439.10251	2.3
449.08658	2.6
451.10223	2.9
453.11615	1.3
486.29602	0.5
517.11664	2.5
521.36621	0.5
527.09674	2.6
535.12244	1.3
541.11462	0.9
545.10712	3.8
557.10718	0.6
559.11902	1.4
561.13745	1.0
571.12244	1.2
577.13123	1.3
579.14850	7.1
679.13788	1.7
697.15289	3.3
715.16241	2.1
722.95990	0.5
867.27069	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	868.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
63.16878	0.3
65.03919	0.7
67.05509	16.3
69.07075	3.8
71.04974	0.5
71.07375	5.2
71.45743	0.3
71.46157	0.3
73.19921	0.4
79.05495	8.4
81.07059	14.7
83.04950	0.6
83.08625	1.6
86.09709	34.1
88.84741	0.3
91.05476	3.7
93.07045	9.5
94.51041	0.3
95.04980	0.7
95.08606	13.5
97.06522	0.7
97.10155	0.6
104.10745	13.1
105.07041	2.6
107.08593	4.5
109.06532	0.4
109.10172	5.0
117.07017	0.7
119.08610	1.9
121.10155	4.0
123.08099	0.4
123.11707	1.2
124.67509	0.4
124.99948	0.7
131.08545	1.6
133.10143	1.9
145.10115	0.9
146.98183	54.1
147.11691	1.0
149.13242	0.8
159.11682	0.7
161.13329	0.5
164.99245	0.9
173.13322	0.6
184.07433	1.6
188.00858	1.2
236.67146	0.4
236.69830	0.3
261.22189	0.4
317.17963	0.4
335.25812	14.4
357.24179	2.3
468.09201	0.3
481.23279	30.6
482.23901	0.5
497.20227	0.6
540.30627	100.0
541.30792	3.0
556.27924	1.0
809.43115	0.5
868.49915	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05034	0.5
70.02956	0.4
70.06594	100.0
71.21750	0.4
72.08157	7.4
75.77145	0.4
79.80723	0.4
82.06580	0.5
83.41035	0.4
84.08128	0.5
88.04002	1.2
95.06113	1.6
96.08144	0.7
97.07649	0.6
98.06039	0.7
103.05547	0.4
112.07591	1.5
112.08735	8.4
113.07135	3.7
115.08704	4.1
116.07116	0.4
120.08103	6.6
123.09221	0.4
125.07143	0.5
127.08677	0.4
127.89636	0.4
139.08711	0.6
140.08223	1.5
141.10243	2.7
151.08701	0.5
157.09775	3.5
157.10901	0.8
166.09795	1.0
167.08192	2.0
169.09792	1.3
169.13367	9.5
172.11278	0.5
185.09221	6.4
192.11378	1.2
194.09302	0.8
195.07562	1.7
197.12869	5.1
199.12465	0.5
200.10846	0.5
210.08884	0.5
212.10295	3.2
213.08704	6.0
214.15623	0.4
216.15012	0.4
217.13364	0.7
219.40398	0.4
227.11842	0.5
230.11314	2.1
235.10869	0.8
237.09743	0.5
240.09686	0.4
242.12930	0.9
244.14478	0.4
255.10925	2.9
259.15588	4.6
266.15213	1.3
268.16711	1.1
276.18369	0.7
284.16202	1.5
287.14984	1.2
309.15475	0.6
314.15082	0.7
324.16653	2.1
327.16730	1.4
342.14658	0.5
346.18903	0.8
352.16122	8.2
369.18912	1.2
374.18307	0.6
385.15628	0.4
402.17920	0.7
423.20129	0.9
453.22687	0.5
471.23712	1.3
853.42889	0.9
870.44629	72.6
871.45367	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	870.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	2.5
67.05511	26.7
69.03426	3.0
69.07056	9.0
71.04993	3.6
71.46099	2.8
79.05502	34.8
81.03419	6.8
81.07059	100.0
83.04975	9.9
83.08619	8.7
85.02905	4.6
91.05476	20.9
93.05059	2.3
93.07046	23.9
95.04966	14.1
95.08591	12.6
97.06551	4.3
97.10170	10.8
105.07040	22.5
107.04944	9.7
107.08593	16.3
109.05849	3.3
109.06526	37.1
109.10171	9.0
111.04433	7.6
111.08086	4.1
115.05573	3.1
115.34682	2.7
117.07014	11.4
117.07723	2.3
119.08576	31.8
121.06500	6.5
121.10184	11.5
123.08030	8.7
125.09615	7.5
128.06238	2.4
129.07004	6.9
131.08585	12.3
133.06509	4.1
133.10115	9.5
135.08034	10.5
135.11708	3.4
137.02702	2.9
137.09601	4.9
143.08516	4.2
145.06459	2.2
145.10147	13.1
147.08133	11.4
147.11652	4.7
149.09612	8.3
153.12680	3.6
157.10101	5.1
159.11694	5.0
161.09663	12.8
163.11163	11.9
165.09149	3.9
171.11682	4.3
173.09575	3.4
175.11182	4.2
181.10042	3.0
181.12280	3.1
184.07364	2.5
185.13290	2.6
189.11201	5.2
191.33551	2.2
193.12419	2.9
219.17445	2.6
227.12737	7.3
255.17416	3.6
273.18506	31.0
275.20117	6.4
289.17960	10.4
291.19540	80.9
292.20081	2.2
309.20612	4.8
347.22073	19.6
349.23770	6.2
365.23285	42.5
381.22543	3.8
383.24368	8.4
429.48389	2.5
465.15115	2.3
619.39771	5.0
637.40961	30.0
655.41998	33.0
673.43158	17.6
870.44904	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	870.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02907	4.5
67.05505	87.7
69.03423	12.5
69.07063	22.4
69.55727	21.0
71.04984	10.7
79.05489	82.2
81.03405	14.5
81.07058	100.0
83.04963	20.8
83.08613	21.4
83.25098	5.3
83.47466	5.2
85.02915	10.1
85.06522	8.4
86.09707	13.9
91.05475	67.7
93.07053	65.1
95.04971	33.3
95.08613	38.4
97.02835	6.4
97.06512	34.3
97.10163	21.9
105.07025	55.7
107.04971	26.0
107.08593	35.4
109.06512	40.3
109.10149	27.5
111.04520	4.5
111.08092	7.4
117.06995	33.1
119.08596	45.7
121.02859	12.4
121.06491	18.2
121.10155	26.1
123.08098	18.1
124.87183	6.0
124.99973	8.3
125.09612	13.4
129.06992	17.1
130.07608	5.4
131.08546	34.0
133.06520	7.0
133.10153	30.5
135.08015	24.2
135.11700	11.0
135.92555	4.7
137.09584	12.2
143.08559	10.7
145.06465	6.9
145.10114	34.1
147.07956	7.6
147.11690	20.3
149.09592	10.5
149.13252	6.3
151.73730	5.2
153.09189	6.6
154.27190	4.8
157.10092	9.8
159.08043	22.4
159.11667	14.8
161.09630	9.7
161.13309	8.6
163.03612	5.2
163.07510	11.0
163.11169	12.1
167.10596	4.7
173.09572	9.8
173.13269	7.8
175.11223	6.2
183.11774	7.5
184.07336	30.6
185.13290	7.6
189.11150	6.7
197.13133	6.1
219.13846	8.4
219.17502	6.4
223.13318	7.6
227.12773	18.5
233.15341	13.0
243.17262	7.4
257.18698	6.6
259.20288	6.4
267.15692	6.2
271.17010	10.8
273.18570	10.3
275.19995	30.1
289.17892	45.7
291.19550	16.5
293.21176	8.7
307.19037	18.8
309.20496	13.1
333.24155	8.6
347.21924	6.2
349.23712	23.9
356.21945	14.0
363.21674	28.7
365.23254	10.8
367.24805	10.8
374.23178	15.1
381.22784	31.3
557.34595	6.3
597.37927	10.5
615.38599	15.5
637.40637	17.1
655.41962	25.3
673.42517	17.8
811.46619	8.9
870.52539	26.3
871.43909	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	870.5574
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	1.9
65.03931	1.3
67.05508	45.1
67.05867	2.6
69.03422	2.0
69.07072	21.4
69.56746	3.5
69.57147	2.0
71.04993	13.8
73.06571	1.4
79.05497	38.6
81.03434	5.2
81.07058	100.0
83.04964	6.7
83.08622	19.9
85.02898	1.7
85.06548	4.5
85.50706	1.1
91.03960	1.3
91.05484	39.5
92.60265	1.3
93.07047	37.2
95.04978	15.7
95.08611	27.3
97.06535	9.0
97.10178	2.9
97.40782	1.1
99.04455	1.3
99.08106	3.7
99.58015	1.2
101.74442	1.0
103.05572	1.6
105.04528	2.2
105.07032	34.9
107.04960	13.2
107.08598	24.9
109.06519	30.5
109.10174	12.7
111.04465	6.0
111.08115	4.9
117.07023	12.6
119.08584	29.9
119.09418	1.8
121.06514	8.0
121.10143	16.7
123.08080	10.5
123.11703	5.5
125.06011	1.6
125.09658	4.5
127.07553	1.5
127.17657	1.1
129.07037	4.6
130.07906	1.2
131.08572	16.2
133.06505	1.3
133.10144	20.2
135.08060	6.3
135.11699	9.6
137.09612	7.6
137.13275	1.4
139.07660	1.1
139.11154	1.8
141.06998	1.6
143.08592	3.1
145.10144	13.6
147.08026	1.9
147.11688	19.8
149.09633	11.0
149.13301	7.1
151.07523	1.2
151.11217	4.9
155.08627	1.4
157.10152	4.8
159.08086	1.6
159.11714	11.2
161.09618	2.7
161.13266	3.8
163.11221	12.1
163.14857	2.5
165.12741	6.2
169.10143	1.6
171.11693	4.3
173.13277	3.7
175.11150	2.3
175.14742	1.6
177.12813	2.4
183.11777	2.6
183.52219	1.2
185.13327	1.8
187.11214	1.5
187.14751	1.6
191.10690	1.2
191.14301	1.6
193.12291	1.9
197.13287	1.4
205.12341	2.2
209.34160	1.3
215.14375	1.2
219.13617	1.7
229.19591	3.6
239.17950	3.2
247.20625	3.8
257.19049	7.6
267.15918	1.9
275.20074	76.5
293.21039	10.5
303.15723	1.3
307.22711	3.4
313.27509	1.4
331.22742	2.2
335.25958	5.6
349.23730	68.1
350.24292	2.0
367.24811	52.6
381.26349	36.8
467.20181	1.2
549.39026	1.6
623.43097	60.5
624.43176	2.7
641.44073	43.4
642.43970	1.9
655.45966	14.5
659.45099	8.1
673.35547	2.2
673.46783	42.3
674.46722	2.2
683.16901	1.5
854.02307	1.3
871.47681	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	872.282
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	1.9
62.52427	0.8
65.03938	2.8
69.03427	7.6
69.07066	1.0
73.02909	11.8
74.44285	0.9
76.16649	0.9
81.03382	1.2
85.02904	14.4
91.05460	1.3
97.02888	15.5
109.02896	1.1
111.04411	1.7
115.03941	6.0
119.04945	8.0
120.04462	29.2
121.02877	17.3
121.03983	3.6
125.79677	1.0
127.03903	2.6
133.04953	2.4
144.04463	3.1
145.04964	5.3
146.05989	2.0
147.04411	3.0
148.03906	4.6
160.56174	1.1
162.05515	3.8
163.03900	1.5
163.05972	2.2
164.07072	2.1
172.03937	4.2
174.05484	1.1
175.03918	1.9
190.05034	6.9
195.08179	4.4
210.09186	3.6
211.06026	1.3
220.07684	2.1
222.06808	2.5
222.09204	4.5
223.07625	5.8
224.08281	3.3
238.08611	51.3
239.09325	5.6
248.07054	2.3
249.07753	1.2
250.08737	5.2
252.07840	2.5
266.08112	56.3
267.04691	1.5
267.08896	86.7
284.09161	100.0
285.09457	1.2
295.10263	4.4
401.70978	1.0
416.13614	1.3
428.13364	3.6
446.14456	59.1
447.14462	1.6
578.18610	1.3
608.19055	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	872.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	1.7
64.45917	0.3
65.03947	1.6
68.66490	0.3
69.03433	5.9
69.55511	0.6
69.55913	1.1
73.02914	9.8
81.03424	0.8
82.04298	0.3
83.79942	0.3
85.02900	8.6
87.04452	0.7
91.05473	2.3
93.14455	0.3
95.04951	0.5
96.71774	0.3
97.02888	8.8
98.22781	0.7
99.04478	0.5
107.04932	0.8
108.04444	0.4
109.02855	0.6
111.04427	0.7
115.03924	4.6
116.04961	0.9
119.04934	7.4
120.04459	15.2
121.02866	14.4
121.03947	1.8
126.69800	0.3
127.03915	1.8
131.04924	0.7
133.04964	0.9
134.06015	0.6
138.19858	0.3
138.88045	0.3
144.04440	4.7
145.04967	2.0
146.02322	0.7
146.06003	1.5
147.04408	2.8
148.03925	3.8
149.79968	0.3
162.05501	3.1
163.05927	0.5
164.07076	1.3
165.06999	1.1
167.08504	0.6
172.03940	4.8
172.36850	0.3
174.05504	1.3
175.03906	1.5
177.05498	0.7
177.06920	0.4
181.06561	0.5
183.08121	0.7
185.17300	0.3
190.04977	5.5
192.08061	0.7
195.08087	3.5
205.06506	0.9
209.08310	0.6
210.06807	0.8
210.09117	4.1
211.05832	0.3
211.07587	0.8
220.07626	2.1
221.06090	0.6
221.08344	0.7
222.06746	2.6
222.09132	4.4
223.05643	0.6
223.07590	6.6
223.09526	0.3
224.08443	3.4
225.09082	0.4
236.07076	0.4
237.05544	0.5
238.08617	46.3
239.09355	4.8
241.07016	0.7
248.07079	1.6
249.07852	1.2
250.06209	0.8
250.08647	3.4
252.07790	2.8
259.08167	0.4
264.06519	0.4
265.07278	0.5
266.08109	58.1
267.08887	72.2
268.09235	1.4
280.09824	0.4
284.09155	100.0
285.09515	1.4
295.10172	0.9
398.12387	0.4
408.67606	0.4
416.13327	1.6
428.13290	3.3
446.14450	41.3
447.14624	1.0
560.17615	0.4
578.18231	1.7
608.19208	1.4
682.67407	0.4
789.46063	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
62.20578	2.3
65.03944	3.8
66.07885	2.7
67.05502	71.6
69.03421	9.1
69.07074	24.9
71.04983	9.0
79.05042	4.6
79.05492	69.6
81.03419	16.2
81.07057	100.0
83.04981	18.1
83.08619	29.6
85.02901	8.3
85.06546	7.4
86.09698	9.8
91.04938	4.1
91.05475	56.6
93.07038	58.9
94.07350	2.8
95.04965	45.1
95.08606	43.6
97.02877	3.7
97.06527	18.8
97.10159	25.7
99.04445	3.0
99.08086	5.7
105.04528	3.8
105.07027	50.7
107.04948	17.6
107.08592	42.9
109.06517	26.3
109.10146	20.8
111.04421	10.8
111.08063	9.6
117.07012	19.5
119.08575	43.3
121.06525	14.5
121.10126	24.7
121.60958	2.5
123.04433	3.9
123.08078	19.1
123.11726	5.0
124.99989	10.3
125.05940	3.9
125.09633	23.0
127.03865	3.2
128.06226	3.3
129.07013	11.3
130.07822	2.9
131.08557	32.6
133.06459	5.0
133.10120	23.6
135.08034	12.5
135.11684	18.5
137.09654	6.7
139.11182	3.9
143.08540	10.3
145.10144	32.5
147.08046	9.1
147.11644	16.6
149.09616	24.4
149.13261	7.5
150.00374	2.4
153.12820	3.9
155.08575	6.1
157.10101	17.5
159.08047	5.3
159.11658	15.2
161.09633	10.5
161.13255	6.2
163.11182	23.9
165.09235	2.4
165.12691	4.5
169.10129	5.2
171.11697	7.7
173.09566	5.3
173.11848	3.0
173.13274	9.9
175.11194	9.1
177.12769	7.6
181.10205	2.9
181.12212	2.9
183.11723	3.2
184.07350	43.3
185.13335	6.2
187.11156	4.1
189.11211	17.2
189.12697	3.8
191.10667	7.2
193.12088	2.8
199.14798	3.1
205.12244	2.7
217.15857	4.9
219.17378	6.3
223.13272	19.4
227.12666	22.4
229.14262	9.5
232.96495	2.9
245.13710	4.1
245.19093	3.3
247.20605	3.0
255.17278	4.2
257.19003	9.4
259.20453	2.7
261.07910	2.8
263.13629	2.7
267.15845	6.7
273.18491	35.3
275.00497	2.5
275.20053	43.4
283.15277	4.5
289.17783	3.7
291.19522	44.7
293.21140	19.6
301.70068	2.8
309.20700	4.2
330.11761	2.5
331.02420	2.6
333.23956	3.5
347.22122	18.4
349.23718	27.5
365.23187	35.1
367.24753	32.1
381.22369	2.9
383.24307	13.4
438.00302	2.6
467.64355	2.5
503.33966	3.2
541.35046	7.2
543.36273	4.6
551.55188	2.6
559.35986	4.1
621.41016	12.9
639.42413	41.4
657.43530	43.6
675.44318	20.6
836.27869	3.1
872.45538	13.6
873.45734	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	872.5365
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03942	5.4
65.40739	4.1
67.05502	66.6
69.03420	7.7
69.07066	31.2
71.04977	6.8
71.38863	4.2
71.46619	4.4
79.05499	53.7
81.03416	19.6
81.07054	100.0
81.07510	8.2
83.04995	16.4
83.08629	17.4
85.06567	4.8
86.09697	31.2
91.05484	64.7
93.07041	54.0
95.04955	24.8
95.08611	27.6
97.02875	4.2
97.06525	17.5
97.10172	15.9
98.98436	5.3
104.10751	11.4
105.07031	45.6
107.04941	15.8
107.08585	29.4
109.06504	28.2
109.10166	12.8
111.04459	4.7
111.08065	8.7
117.07009	14.5
119.08587	32.2
121.06496	9.9
121.10153	25.4
123.08080	20.8
123.11684	4.9
125.00016	16.4
125.09606	10.1
126.86623	4.2
129.07050	4.7
131.08577	25.8
133.10155	23.3
135.08047	11.7
135.11697	13.8
137.09624	5.4
143.08572	8.1
145.10135	23.3
147.08083	10.0
147.11684	23.5
149.09645	10.3
149.13187	5.6
151.11133	6.0
157.10136	12.4
159.08066	6.5
159.11732	11.2
161.09579	8.7
161.13135	6.5
163.11133	11.7
171.11668	7.6
173.09596	5.5
173.13277	6.0
175.11275	6.9
177.12833	5.1
181.91460	4.8
184.07349	75.5
187.30215	4.2
189.11214	11.4
193.12314	7.4
211.14871	4.2
219.17403	4.6
227.12804	10.3
257.19138	5.2
266.18137	4.8
267.15973	4.8
269.17291	5.5
273.18539	24.4
275.20068	41.9
291.19556	30.0
293.20981	6.6
309.20670	5.3
347.22287	15.6
349.23618	26.7
365.23380	27.6
367.24707	27.3
383.24292	13.2
472.43219	5.4
621.41119	11.2
639.42279	32.9
657.43890	38.7
675.44757	20.2
872.45319	15.2
873.45282	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	875.4765
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02931	3.0
63.10863	0.3
67.05508	2.6
69.03423	2.8
69.07070	2.8
70.15706	0.7
71.01358	0.4
71.04998	0.7
73.02915	2.2
79.05480	3.0
81.03426	1.5
81.07048	4.0
81.07426	0.3
83.04998	0.8
83.08625	1.2
85.02901	3.0
87.04485	0.3
91.03965	1.5
91.05484	1.9
93.07029	1.8
95.04947	1.6
95.08591	1.7
97.02882	2.9
97.06572	0.5
97.10178	0.6
99.00811	0.4
99.04471	0.5
101.02412	1.3
101.62270	0.3
104.10777	1.1
105.07036	1.9
107.04963	0.7
107.08619	1.5
109.02890	0.6
109.06534	1.0
109.10209	0.4
117.07033	0.4
119.08614	1.2
119.62489	0.3
121.06510	0.5
121.10178	1.0
123.08123	0.4
125.09672	0.6
127.03943	0.9
129.05623	0.5
131.08551	0.5
132.71977	0.4
133.10143	0.9
135.08046	0.7
135.11697	0.5
137.09653	0.5
145.10176	0.7
147.11761	0.9
149.09741	0.5
152.40645	0.3
157.10153	0.8
159.11755	0.6
183.06584	0.3
184.07433	0.8
193.12215	0.4
201.03670	0.4
203.05348	0.4
210.86118	0.4
243.08388	3.4
301.09073	0.7
313.08838	0.4
333.20370	2.3
347.18524	0.7
369.15240	0.5
371.17023	0.4
389.23206	0.6
403.21204	0.4
423.19794	0.4
439.19424	0.8
456.04550	0.4
467.19089	0.7
481.20895	0.5
495.54431	0.4
549.27081	0.5
551.28198	4.8
565.26166	4.6
623.30426	0.7
679.35663	0.5
857.46423	0.7
875.47455	100.0
876.47736	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	875.478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	1.9
65.76351	0.3
65.85206	0.3
67.05502	2.6
69.03420	2.1
69.07074	1.6
70.09187	0.7
71.05009	0.7
73.02921	1.4
79.05498	3.6
81.03435	1.4
81.07061	3.7
83.04999	1.2
83.08614	0.8
85.02901	2.6
85.03334	0.3
86.09698	0.3
88.38703	0.3
91.03958	1.7
91.05482	2.5
93.07063	2.0
95.04982	1.5
95.08627	1.4
97.02898	2.3
97.06533	0.6
97.10184	0.7
98.23322	0.4
99.04478	0.7
101.02401	1.1
105.07037	1.7
107.04978	0.6
107.08624	1.5
109.02903	0.6
109.06576	0.7
109.10194	0.7
111.04488	0.4
117.07028	0.8
119.08611	1.2
121.06515	0.4
121.10182	1.0
123.08107	0.4
125.00025	0.4
125.09666	0.8
127.03905	0.8
129.07019	0.3
131.08568	0.6
133.10149	1.0
135.11819	0.5
139.11214	0.3
145.10156	0.6
147.08112	0.4
147.11778	0.4
161.09589	0.4
163.11218	0.4
184.07437	1.2
243.08443	3.2
301.08929	0.7
315.10876	0.4
333.20114	0.7
347.18365	0.9
349.19913	0.6
369.15369	0.5
371.16650	0.3
375.79935	0.3
389.23187	0.5
430.74921	0.4
439.19623	0.8
441.18100	0.4
467.19211	0.6
549.26935	1.5
551.28278	3.6
565.26154	2.9
567.28210	0.9
749.41882	0.5
875.47363	100.0
876.47473	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	875.5129
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	3.9
67.05516	5.2
67.10342	0.5
69.03427	2.8
69.07079	2.3
69.19695	1.3
69.20104	2.1
71.05010	1.6
73.02926	3.5
75.36183	0.5
78.82162	0.5
79.05498	3.7
81.03448	2.2
81.07063	8.8
83.04974	0.7
83.08640	1.3
85.02908	4.3
87.44650	0.5
91.03992	2.1
91.05473	3.5
93.07056	3.5
95.05008	1.4
95.08608	2.7
97.02901	4.2
97.06571	1.1
99.04452	0.7
101.02419	1.2
105.07028	3.2
107.04978	0.7
107.08625	2.9
108.62252	0.5
109.02913	0.8
109.06561	1.6
109.10212	1.4
109.38919	0.5
117.07096	0.6
119.08628	1.5
121.06547	1.1
121.10189	1.2
123.08061	0.9
123.11768	0.5
123.86847	0.5
127.03971	1.2
129.99886	0.5
131.08597	1.0
133.10217	0.8
135.08099	1.0
135.11740	1.2
145.10205	1.2
147.11722	1.9
149.09686	0.7
159.11751	1.4
185.04396	0.6
203.05260	0.8
203.46083	0.5
243.08412	3.5
275.20172	0.8
315.10529	0.5
321.91168	0.6
333.20380	3.1
347.21954	3.6
389.23123	1.1
403.24939	0.8
423.19992	1.3
481.20581	3.7
551.28357	7.4
551.35876	0.4
552.29102	0.5
565.29932	7.8
586.06384	0.6
637.32367	0.8
640.43384	0.7
712.44672	0.6
731.80963	0.5
791.42365	1.6
875.51257	100.0
876.51965	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	875.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	2.9
62.32635	0.5
63.65044	0.4
64.53609	0.5
65.03946	0.5
67.05511	3.9
69.03421	2.3
69.07092	1.7
71.05025	1.0
71.07413	0.5
73.02943	2.0
79.05504	3.6
81.03426	1.2
81.07055	5.4
83.04988	0.8
83.08665	1.5
85.02921	3.2
85.33980	0.5
86.09740	0.8
91.03994	1.3
91.05481	3.7
93.07047	3.9
95.04995	2.0
95.08598	2.6
97.02903	3.5
97.06566	0.6
97.10196	0.6
99.04462	0.6
101.02414	1.5
105.07061	2.2
107.05009	0.8
107.08582	2.3
109.02953	0.8
109.06561	1.0
109.10218	1.3
117.07076	1.3
119.08648	2.2
121.10202	1.4
123.11752	0.6
129.07091	0.6
131.08644	1.5
133.10164	1.5
135.11769	0.6
145.10168	1.1
147.11777	1.4
149.09709	1.0
149.13295	0.6
159.11725	0.6
163.11263	1.2
165.12787	0.7
173.13382	0.5
175.63795	0.5
177.12823	0.6
184.07353	2.3
185.04201	0.6
203.05377	0.6
232.37889	0.5
233.05154	0.5
243.08281	2.2
275.20175	1.2
315.10620	0.6
333.20615	1.5
347.22183	1.6
403.24890	0.6
403.36017	0.5
423.19931	0.5
474.09064	0.5
519.29498	0.8
551.28387	6.0
565.29840	5.2
857.46887	0.9
875.51147	100.0
876.51111	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	877.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	0.9
69.64966	1.6
70.06604	1.0
72.26978	0.5
78.86072	0.4
79.05489	0.6
80.35302	0.5
81.07077	1.4
86.09698	0.6
91.05508	0.6
93.07046	1.0
97.02883	0.7
98.23500	0.7
104.10764	1.7
149.02368	1.1
184.07419	1.1
193.04895	0.6
301.08438	0.5
336.62448	0.6
484.07813	0.5
516.32294	0.5
615.53186	0.6
877.47137	100.0
878.46692	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	877.492
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.0
65.03976	0.2
67.05507	2.7
69.03436	1.8
69.07072	2.0
70.16889	0.3
71.01343	0.2
71.05006	0.5
73.02918	2.6
79.05492	2.8
79.05939	0.2
81.03423	1.3
81.07062	3.1
81.07505	0.3
83.04985	0.9
83.08620	1.4
85.02903	3.2
85.06553	0.3
87.04485	0.3
91.03960	1.5
91.05487	1.9
93.07046	2.5
95.04966	1.6
95.08607	1.6
97.02900	2.7
97.06560	0.5
97.10182	0.9
99.04463	0.8
101.02383	1.1
103.03970	0.3
105.07028	1.3
107.04977	0.5
107.08598	2.2
109.02898	0.5
109.06540	0.5
109.10175	0.9
111.04436	1.1
111.08105	0.5
115.03942	0.2
117.07064	0.6
119.08586	1.3
121.06506	0.4
121.10136	1.1
123.08048	0.8
125.06077	0.2
125.09628	1.0
127.03957	0.6
129.07025	0.2
131.08571	1.1
133.10126	1.0
135.08076	0.5
135.11697	0.8
137.09650	0.2
139.11188	0.2
143.08565	0.3
145.10120	0.8
147.08063	0.3
147.11757	0.5
149.09604	0.8
149.13275	0.2
153.12782	0.4
155.08624	0.2
157.10159	0.2
159.11749	0.4
161.09720	0.2
163.11197	1.1
165.12784	0.3
173.13274	0.2
177.12816	0.2
183.86226	0.1
184.07426	0.4
185.04295	0.6
189.11261	0.3
201.03766	0.2
203.05348	0.4
207.13898	0.2
223.13364	0.6
241.07054	0.2
243.08383	3.0
259.07950	0.3
260.96024	0.2
275.20193	0.5
291.19495	0.3
301.09064	0.6
303.19217	0.3
313.09000	0.2
315.10602	0.4
319.18890	0.2
331.18811	0.2
333.20389	1.5
349.19855	2.4
355.13730	0.2
369.15253	0.3
373.11136	0.4
383.16806	0.3
389.23083	0.9
405.22708	0.5
431.24298	0.2
443.19156	0.2
451.19952	0.3
481.20728	0.2
497.20016	0.4
533.27136	0.2
541.22839	0.3
551.28284	8.0
567.27820	5.1
623.30377	0.9
637.31903	0.2
693.38306	0.3
715.43579	0.2
716.83514	0.2
761.41162	0.4
809.92322	0.2
877.49097	100.0
878.49261	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	880.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	4.8
63.41265	2.1
63.81492	1.8
67.05498	10.3
68.99770	3.0
69.03429	73.3
69.03805	4.2
69.07062	22.3
69.15047	7.0
69.15454	7.7
69.72033	1.9
70.45937	2.0
71.04985	2.6
73.02919	5.5
79.05490	30.9
81.03414	23.2
81.07056	37.0
83.04981	2.3
83.08645	6.8
85.02901	86.0
86.09726	2.1
87.00834	32.5
87.04467	26.2
91.05479	12.4
93.07057	13.2
95.04965	4.7
95.08599	26.8
97.02263	4.3
97.02892	76.5
97.06538	9.1
97.10171	6.3
98.22711	4.9
99.04436	11.7
105.01868	75.1
105.07024	24.0
107.04976	10.1
107.08595	12.4
109.02879	32.7
109.10151	13.4
111.04443	2.5
111.11694	3.0
115.03927	45.3
119.08585	21.9
121.06538	2.4
121.10149	6.7
123.04372	2.3
123.11708	6.7
125.05988	53.4
125.09615	2.3
125.13293	3.9
127.03915	59.5
129.01842	2.6
131.08524	13.2
133.04967	30.2
133.06506	2.7
133.10124	27.2
135.11707	6.1
137.05971	6.2
137.13266	2.2
143.08524	2.2
145.04956	20.9
145.10107	13.4
147.02913	2.2
147.08041	2.3
147.11691	16.7
149.13269	3.5
150.07687	2.3
151.07631	3.2
157.10129	3.5
159.02936	6.3
159.11713	7.6
161.09616	39.2
161.13303	8.0
169.04971	2.8
173.09686	3.7
173.13313	6.9
175.11139	18.0
175.14902	12.0
177.09146	3.0
179.10695	12.4
185.13338	3.2
187.14787	5.4
191.10602	2.6
193.12239	10.3
197.13411	3.6
201.16388	7.0
203.14279	27.3
211.14850	3.3
213.03996	9.1
215.14336	5.4
219.13875	5.1
221.15347	16.3
223.05971	3.5
231.04980	46.2
233.15401	2.8
241.07132	5.6
243.21082	2.2
249.06065	56.7
257.22635	12.2
259.08124	3.4
267.21106	9.1
285.22119	100.0
303.23132	19.4
327.07101	6.2
345.08118	25.8
363.09314	4.5
381.10260	3.9
393.09787	3.6
393.24103	2.3
395.61453	2.7
396.47672	2.0
411.11157	2.6
417.26205	10.4
420.56229	2.2
421.76840	2.1
430.50226	2.0
451.19794	15.5
469.20694	2.9
497.25183	3.6
505.28558	2.7
515.26166	6.6
517.44141	2.2
533.27435	64.3
551.28461	11.0
652.64954	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	884.594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05474	0.8
69.03410	1.1
69.07043	0.7
69.69398	0.6
69.69727	0.8
71.04962	0.9
71.08631	1.1
73.02919	2.7
73.06551	4.6
75.18797	0.5
79.05474	1.3
81.03432	0.5
81.07032	1.2
83.04970	0.8
83.08607	0.8
86.09693	0.6
87.04462	34.1
89.06024	100.0
91.05469	7.9
91.07597	0.5
93.07031	4.7
95.04962	2.8
95.08614	1.0
96.19306	0.4
97.10126	0.5
103.05465	1.7
105.04502	1.0
105.07021	3.6
107.04943	1.4
107.07056	2.2
107.08556	3.4
109.06520	1.3
113.05989	1.4
113.13232	0.8
115.05490	0.5
115.07568	0.6
117.07006	2.1
117.09119	2.9
118.07772	5.6
119.04935	4.8
119.08573	7.5
119.46152	0.4
121.06497	21.0
121.10148	1.2
123.08064	1.2
129.06984	0.7
130.08591	2.4
130.14609	0.4
131.07031	13.1
131.08589	1.0
133.08594	58.6
135.08041	4.8
135.10182	0.5
135.11681	2.2
140.76004	0.4
143.32544	0.4
145.06494	0.8
145.10130	0.9
147.08041	13.7
149.09610	6.4
149.13231	1.1
150.05582	0.6
150.06731	5.0
151.38225	0.4
159.10313	0.7
159.11710	2.0
161.09647	1.0
161.11723	1.5
161.12982	0.4
163.11162	2.4
165.09100	6.0
167.10667	2.2
173.09656	1.2
175.09663	9.3
175.11089	0.6
177.11223	25.5
177.12730	2.3
184.07391	1.3
189.09151	0.5
191.10631	3.1
193.10703	0.4
193.12251	2.5
205.09698	0.4
207.13748	0.6
209.11707	2.4
211.13318	3.2
217.17097	0.6
219.12256	4.0
221.13824	6.6
223.15445	0.5
233.18990	19.8
235.13284	2.9
237.13031	0.5
239.14906	0.9
247.20564	1.2
255.15895	2.6
259.20605	3.5
263.14987	0.8
263.69882	0.4
265.16519	1.7
275.20206	0.9
275.23840	1.6
277.21613	22.9
279.15915	2.0
283.17532	1.5
299.18686	1.5
303.23230	3.1
309.19193	1.4
319.22754	0.8
321.24194	7.9
323.18558	1.0
327.20303	1.0
343.21210	0.6
353.21802	1.4
394.49890	0.4
397.24207	0.8
441.27362	0.5
529.32367	0.7
569.12000	0.4
755.44366	0.9
867.56708	6.9
884.42932	0.9
884.59509	14.0
885.60657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05028	0.7
70.06592	100.0
71.06918	0.5
73.08863	0.2
74.06083	1.8
78.15098	0.2
83.07327	0.3
84.04513	0.5
84.08148	0.3
85.04026	1.4
85.63818	0.2
86.09708	3.1
91.05496	1.2
93.37749	0.2
96.04512	0.6
96.08144	0.6
97.07678	0.5
98.06041	1.3
98.09708	0.5
101.07154	0.4
107.04965	0.9
112.11280	0.5
113.07110	1.2
114.05602	0.2
115.05484	0.5
115.08697	3.2
116.07082	0.4
117.05769	0.2
118.06548	0.5
119.04972	0.8
121.06533	0.5
125.07110	1.8
125.07918	0.3
126.05541	0.7
126.09148	5.7
127.08687	1.6
129.06631	0.4
130.06522	7.6
131.08165	0.5
132.08087	5.1
136.07571	13.9
137.07100	0.3
138.12773	2.3
139.08675	0.5
141.06630	0.6
141.10255	0.7
142.06575	0.7
144.08067	1.9
148.07599	0.8
153.10216	2.8
155.08182	1.5
156.08124	0.6
158.08452	0.4
158.09641	2.8
159.09174	23.3
160.07632	0.7
162.09164	0.4
163.08687	0.4
164.07106	0.5
165.10277	0.2
165.14023	0.3
167.11818	0.2
167.15433	0.2
168.08057	0.5
169.07640	0.8
169.09776	0.8
169.13379	0.4
170.06021	3.7
170.07350	0.3
170.09708	0.6
171.09213	1.2
171.11334	0.7
181.07727	0.6
181.09789	3.0
181.13239	0.3
182.06075	0.4
183.07761	0.3
183.09241	0.6
183.14925	9.2
184.10751	0.4
185.10719	1.2
186.08864	0.5
187.08649	1.0
188.10716	0.3
191.08159	2.2
193.13521	0.2
195.07686	0.9
195.09297	0.6
195.11365	0.4
195.15057	0.2
197.10927	0.4
197.12979	0.4
198.10339	0.5
199.08704	0.6
199.10794	0.4
201.10289	0.3
204.13905	0.4
204.71033	0.2
210.12335	2.2
211.12413	0.8
211.14375	4.6
211.16257	0.4
212.10210	1.2
212.13905	0.3
213.10283	1.3
219.11298	0.3
221.09340	0.7
226.11949	0.6
227.15509	0.3
230.13019	1.4
233.12839	24.3
234.13272	0.3
238.11845	1.7
239.14023	0.3
240.09802	0.3
241.09743	0.7
242.12933	0.4
247.10970	0.5
248.10759	0.5
250.15651	0.2
256.14899	0.3
258.12317	1.5
259.10800	0.3
260.10843	0.5
261.12357	9.8
262.12952	0.3
264.13583	0.3
267.17087	0.6
270.12476	1.2
277.13550	0.5
278.14948	1.3
281.16245	0.4
283.14182	0.3
284.13913	0.2
287.12003	1.0
289.15851	0.3
294.18069	0.3
298.11899	0.6
301.19196	0.8
304.13235	0.3
308.19833	0.6
315.14713	0.7
318.14673	0.7
322.15643	1.0
327.14307	0.3
332.16217	0.3
332.28833	0.2
350.15024	1.0
351.20090	0.3
353.16220	0.4
358.17825	0.4
361.19034	0.4
369.21390	0.2
371.17490	0.6
374.21017	0.2
389.18164	0.3
394.24261	0.4
398.18271	0.4
402.17841	0.3
416.19778	0.6
419.20767	0.8
421.18945	0.5
422.24359	0.6
431.17081	0.4
440.25146	0.6
443.26633	0.6
447.20319	3.8
471.26047	1.6
472.21991	0.3
488.29031	0.5
490.24451	0.7
518.24036	5.0
537.28168	0.2
547.26984	0.6
563.30017	0.3
575.26068	1.6
581.31140	0.8
592.28925	0.8
608.32300	0.6
626.33228	0.9
629.34790	0.7
630.30627	0.4
631.29498	0.4
632.31390	0.5
648.31158	1.2
657.34283	1.5
658.29895	5.1
676.30963	4.8
682.35992	0.4
688.35004	0.4
700.37262	0.7
726.36578	0.4
728.38025	1.5
729.33502	0.3
739.37769	0.3
744.37244	0.8
755.34998	1.6
771.38519	0.3
773.36047	1.5
785.39801	0.9
814.43549	0.4
840.44385	1.5
841.42499	0.5
842.43073	1.4
850.42554	0.3
858.45093	3.3
868.43463	18.0
869.43817	0.7
886.44598	7.5
887.45428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.5158
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	2.0
67.05505	49.9
69.03426	8.2
69.07071	30.4
69.07851	1.7
70.92692	2.2
71.04993	4.1
77.03935	1.8
79.05492	59.9
81.03424	15.2
81.07056	100.0
83.04980	17.4
83.08614	20.5
85.02893	6.2
85.06533	2.9
91.05483	47.2
93.07049	49.7
95.04967	27.2
95.08598	24.3
97.02872	4.2
97.06519	16.8
97.10177	32.4
99.04439	2.7
103.05483	2.9
105.04488	3.4
105.07037	33.8
107.04947	21.4
107.08589	31.2
109.02880	6.1
109.06529	19.1
109.10163	16.2
110.83155	1.9
111.04430	15.1
111.08060	7.7
113.05974	2.2
117.07017	21.3
119.08591	35.4
119.68964	1.8
121.02878	2.2
121.06474	12.2
121.10139	18.4
123.04414	4.3
123.08067	23.3
125.06033	2.6
125.09640	31.3
127.03899	2.6
128.06247	3.7
129.07025	9.6
131.08580	17.4
133.06467	4.9
133.10126	22.8
135.08064	20.3
135.11710	13.8
137.05885	2.3
137.09634	9.6
139.07489	1.9
139.11209	3.3
141.06905	3.5
143.08577	11.2
145.06435	4.6
145.10124	21.7
147.08078	16.4
147.11705	8.6
149.09608	11.8
151.11177	4.0
153.09103	5.9
153.12729	7.2
155.08505	2.8
157.10133	9.1
159.08046	8.0
159.11685	8.0
161.09613	14.7
161.13252	3.6
163.07483	6.7
163.11192	18.1
165.09123	5.1
169.10129	3.8
171.10260	2.6
171.11642	4.4
173.09599	6.9
173.13158	2.8
175.11163	8.6
177.12741	4.3
179.10716	3.7
181.12225	8.5
185.13176	2.7
189.11235	18.1
189.12758	3.8
191.10730	9.5
193.12242	17.3
219.13620	2.1
222.24617	1.9
223.13280	3.9
227.12770	26.2
227.17897	2.6
243.17487	4.3
245.18967	5.5
255.17494	5.7
258.30420	1.9
261.18439	3.0
263.19922	2.0
267.15817	3.4
271.16806	5.5
273.18494	42.5
283.15277	8.4
289.18002	29.3
291.19547	71.3
305.65900	1.9
306.36087	2.0
307.19000	7.5
309.20554	12.6
347.22076	16.9
356.22165	2.0
363.21759	11.7
365.23242	46.4
371.61139	2.1
381.22711	83.7
383.24271	21.0
505.21591	1.7
533.30878	2.3
543.33478	2.2
551.32391	3.4
555.33148	3.4
557.34430	2.5
573.34070	6.7
579.36401	2.4
597.38116	2.7
620.49762	2.2
635.38892	7.6
643.53851	2.1
653.40308	29.1
657.56049	2.0
671.41534	72.8
689.42584	52.0
772.19904	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	888.5315
Annotation	Unknow
Peak:m/z	Relative Intensity
64.40966	1.7
67.05504	49.2
69.03424	5.6
69.07064	21.9
69.60665	7.3
71.04987	4.9
73.67648	1.9
79.05497	53.4
81.03412	12.4
81.07056	100.0
83.04984	16.6
83.08618	20.4
85.02901	6.4
85.06542	2.8
86.67622	2.2
91.05479	42.9
93.07049	36.1
95.04973	24.9
95.08607	24.1
97.02925	3.4
97.06548	11.9
97.10168	29.5
98.23422	2.4
99.08080	2.8
103.05451	2.5
105.04511	3.1
105.07028	24.7
107.04977	13.7
107.08592	24.7
109.02885	2.5
109.06522	18.3
109.10163	13.2
111.04436	15.2
111.08066	7.1
115.05469	3.1
117.07014	14.5
119.08575	33.5
121.06492	10.6
121.10127	15.2
123.08072	25.4
125.09634	24.0
128.06238	2.6
129.07033	13.8
131.08568	19.0
133.06487	5.8
133.10129	14.8
135.08044	12.7
135.11708	12.2
136.95473	1.8
137.09625	8.0
139.11156	2.7
143.08569	8.1
145.06502	4.0
145.10118	22.8
147.08043	13.1
147.11699	9.0
149.09587	9.5
149.13210	3.5
153.09125	4.2
153.12750	7.4
157.10124	8.5
159.07971	4.4
159.11688	5.7
160.08891	2.0
161.09569	12.9
161.13306	3.2
163.11194	21.7
165.09113	6.0
165.12735	2.8
167.08641	2.2
169.10170	3.2
171.10284	2.2
171.11722	6.2
173.09671	6.1
173.13226	4.3
175.11189	8.4
177.12715	4.1
181.12215	6.2
183.31219	1.8
185.13231	3.2
187.11279	1.9
189.11197	16.8
189.12708	3.0
191.10684	4.8
193.12296	4.6
199.11227	2.5
209.11575	2.0
223.13248	4.7
227.12784	18.5
245.13815	2.7
245.18927	3.7
249.14859	3.0
255.17517	5.4
267.15842	2.2
273.18488	51.1
275.20096	2.4
283.15427	5.3
289.17975	4.1
291.19550	82.2
307.18860	2.4
309.20596	9.8
347.22134	23.4
363.21548	2.5
365.23264	64.6
383.24289	32.5
493.56842	1.9
535.32648	7.1
559.35437	2.7
563.37292	2.5
581.38568	2.8
619.39636	3.7
637.40814	21.7
655.42102	41.6
673.43188	30.0
691.44171	14.9
888.46478	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	889.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80264	1.0
71.46156	1.0
86.09650	1.2
94.65944	1.1
95.96017	1.3
164.28236	1.0
165.09113	1.3
176.04521	4.2
177.05400	2.2
194.42375	1.2
203.03149	19.7
204.03958	5.6
217.04860	3.8
219.06276	15.3
230.05463	1.8
230.97620	1.4
231.06400	3.8
248.06778	1.6
409.12799	3.1
410.13568	2.8
412.85281	1.1
420.11990	1.4
421.12738	1.9
424.11548	1.7
425.12018	1.8
431.99423	1.3
438.12939	8.8
439.13474	7.4
440.14597	10.1
441.15536	1.7
453.15454	1.8
511.15854	4.6
663.20453	2.6
664.21198	75.7
665.21783	8.5
859.27332	5.2
889.28790	100.0
890.29083	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	890.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
63.07559	1.4
65.03933	6.4
67.05504	74.9
69.03419	6.2
69.07066	40.5
69.41573	6.7
70.48221	1.5
71.04997	8.6
79.05490	79.0
81.03413	14.3
81.07054	100.0
83.04975	21.5
83.08616	47.8
85.02918	9.5
85.06542	3.8
91.05477	67.2
93.07041	73.1
95.01305	3.1
95.04963	97.9
95.08601	44.4
97.02890	5.3
97.06535	12.9
97.10175	22.5
99.04456	10.4
99.08083	3.0
103.05429	1.9
105.04530	3.3
105.07025	60.9
107.04950	36.1
107.08588	55.1
109.06512	20.7
109.10143	25.6
111.04449	15.4
111.08075	13.5
115.05473	3.9
117.07007	27.6
118.07694	2.0
119.04948	2.6
119.08575	53.6
121.06490	18.7
121.10143	36.7
121.10986	2.9
123.04423	3.1
123.08066	26.1
123.11707	4.0
125.05966	2.6
125.09641	21.8
128.06197	3.3
129.01006	1.8
129.06978	14.6
130.07755	4.7
131.04955	1.9
131.08560	38.2
133.06503	7.9
133.10138	33.4
135.08072	15.3
135.11668	21.7
137.09618	10.6
139.11154	2.9
141.06947	3.8
141.08997	1.7
143.08548	14.9
144.09285	1.8
145.00455	2.0
145.06461	4.7
145.10115	45.9
147.08047	19.6
147.11679	21.3
149.09604	50.6
149.13242	4.2
151.11166	4.6
153.09128	3.2
153.12761	3.7
155.08557	6.1
157.10112	14.5
159.08063	4.8
159.11684	21.3
161.09601	14.8
161.13322	7.4
163.11172	49.6
165.09134	2.4
165.12782	6.9
169.10135	6.1
170.10938	2.0
171.10254	2.7
171.11700	10.3
171.28833	1.4
173.09576	3.8
173.11897	2.2
173.13181	7.3
175.11131	8.5
177.12749	8.4
179.10533	1.7
181.12260	4.0
183.11713	4.6
184.07326	2.0
185.09665	2.1
185.13249	7.7
187.11186	6.2
189.11229	15.6
189.12775	3.7
191.10680	2.1
191.14314	1.6
193.12263	3.6
195.11700	2.6
197.07314	5.3
197.13263	3.9
199.11246	3.0
199.14784	2.1
201.12796	2.0
205.12225	9.3
208.07184	1.5
211.14970	2.2
213.16377	2.2
215.14334	1.7
223.13271	47.5
227.12817	5.0
227.17902	2.9
229.19518	5.3
239.17908	5.4
245.19052	4.5
247.20670	1.7
255.17429	4.6
257.18976	11.0
273.18484	35.5
275.20056	82.4
276.20230	1.8
291.19534	47.4
293.21075	59.8
293.24353	3.0
309.16150	10.3
311.22156	2.3
327.17163	3.6
331.22501	3.3
335.25867	2.9
347.22183	19.1
349.23700	51.0
350.24005	1.9
365.22964	3.0
367.24771	88.8
383.19839	56.6
401.20871	83.5
402.21213	2.2
515.33826	2.3
531.58618	1.6
621.41449	9.1
639.42413	25.4
640.10663	1.6
657.38666	25.1
675.40149	81.9
693.41193	89.8
694.41235	2.6
719.26227	1.7
890.45868	24.5
891.50403	9.7
907.39606	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	890.5028
Annotation	Unknow
Peak:m/z	Relative Intensity
63.66343	1.3
65.03944	3.2
67.05506	41.3
69.03426	3.1
69.07066	24.5
71.05000	2.9
74.77966	1.3
79.05492	43.4
79.05956	2.9
81.03426	6.8
81.07056	100.0
83.04979	8.3
83.08627	14.0
85.02921	3.4
85.06528	3.1
91.03974	1.6
91.05480	36.7
93.07043	37.9
95.04955	16.6
95.05434	1.5
95.08603	30.0
97.02903	2.7
97.06534	8.1
97.10155	6.6
99.04481	2.0
99.69486	1.7
105.04521	2.7
105.07027	33.3
107.04967	14.4
107.08590	26.7
109.06522	28.0
109.10147	14.3
111.04467	2.8
111.08115	4.6
115.92294	1.3
117.07008	13.0
119.08575	33.5
121.06512	9.8
121.10134	20.0
123.08071	12.8
123.11724	5.7
125.09644	5.8
127.03870	1.7
128.06291	1.7
129.06982	6.6
131.08566	22.4
133.06551	5.0
133.10130	19.8
135.08015	7.3
135.11694	11.4
137.09639	5.4
137.13292	1.6
139.11188	1.4
141.07004	1.9
143.08580	7.9
145.10109	19.2
147.08049	7.7
147.11685	16.2
149.09586	12.1
149.13289	6.2
151.11229	3.8
155.08539	2.4
157.10165	9.2
159.08064	3.3
159.11658	11.6
161.09616	9.4
161.13245	4.1
163.11147	9.0
165.12788	4.7
167.08606	1.7
169.10172	2.6
171.08144	1.6
171.10344	1.4
171.11717	5.4
173.09669	3.1
173.13257	3.7
175.11238	4.5
177.12811	3.9
177.40152	1.4
185.13271	2.2
187.11224	2.4
189.11154	1.6
189.12729	2.6
193.12206	3.4
197.07343	4.2
197.13300	1.6
199.11179	1.5
205.12236	1.7
207.22961	1.7
211.14940	1.5
213.16460	2.2
219.13826	1.8
227.18088	2.7
229.19464	2.0
239.17902	1.7
245.19069	3.2
247.20641	2.5
249.14894	2.0
254.10129	1.6
255.17584	3.9
257.19058	2.7
260.50732	1.4
269.17508	2.2
271.15527	4.5
273.18491	23.2
275.20056	48.4
291.19531	22.3
293.21170	11.2
309.16141	4.3
335.25821	6.8
347.22177	9.5
349.23700	30.2
365.23312	7.7
367.24799	46.6
383.19824	22.5
401.20865	36.0
438.07861	1.6
513.35803	1.5
531.36957	4.4
621.41260	7.1
639.42505	12.2
657.40002	19.3
675.40186	50.6
676.40576	2.9
693.41235	46.5
890.48785	30.4
891.48364	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	891.5084
Annotation	Brachystemin E
Peak:m/z	Relative Intensity
66.68639	0.6
67.05514	3.5
68.46607	0.6
68.58402	0.6
69.03429	1.5
69.07071	2.7
71.04984	1.3
71.11610	0.6
71.11978	0.9
73.02911	1.7
74.35386	0.6
79.05486	4.6
81.03421	1.9
81.07051	6.2
83.04984	1.0
83.08612	1.4
85.02898	3.8
91.03944	0.9
91.05480	4.2
91.39716	0.6
93.07056	3.6
95.04987	1.8
95.08609	2.6
97.02901	2.6
97.06531	0.7
97.10181	1.1
101.02385	1.3
105.07032	2.7
105.87448	0.7
107.08606	2.7
109.06529	1.5
109.10181	1.8
117.07018	0.8
119.08582	2.4
121.06467	0.7
121.10133	2.0
121.80174	0.6
123.08109	1.2
125.09603	0.6
127.03979	1.1
129.07040	0.6
130.51347	0.6
131.08580	2.1
133.10133	1.9
135.11717	0.9
136.27357	0.6
145.10141	1.8
147.11696	1.3
149.09555	1.0
163.11212	1.3
165.12723	0.9
171.83316	0.6
184.07231	0.7
209.14796	0.7
227.12852	0.7
243.08376	3.3
274.18890	0.6
347.21826	1.7
349.19693	1.1
403.24911	1.2
497.19681	0.9
548.67780	0.7
551.27924	1.0
565.30078	5.0
567.27698	5.6
607.05847	0.6
676.39270	0.7
694.41125	0.8
847.45856	0.8
891.50647	100.0
892.51508	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	891.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	1.2
67.05514	5.3
69.03441	1.9
69.07061	1.7
70.95985	1.2
71.04993	1.1
73.02901	2.8
79.05492	5.4
81.03404	1.2
81.07063	8.5
83.04978	0.8
83.08625	2.2
85.02906	2.5
91.03996	1.6
91.05475	5.3
93.07050	4.1
95.04946	1.8
95.08604	3.2
97.02885	2.1
97.10147	1.3
101.02396	0.8
105.07024	3.5
105.07681	0.8
106.24948	0.8
107.08598	3.2
109.10163	1.3
117.07037	1.2
119.08571	2.8
121.10125	1.1
123.08054	1.1
126.86745	0.7
127.04007	0.9
131.08585	2.3
133.10127	2.2
135.11728	1.5
137.51711	0.8
145.10126	1.9
147.11671	1.4
149.09636	1.5
157.10152	0.9
159.11642	0.7
163.11168	1.3
169.10130	0.9
184.07370	1.3
243.08432	3.5
276.20367	1.0
291.19550	1.0
293.25806	0.9
335.25613	1.0
347.21994	2.5
349.20010	1.3
362.06067	0.8
481.20468	1.4
565.29968	5.1
567.27740	5.6
891.50641	100.0
892.50989	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	891.5081
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32660	0.4
65.03931	0.4
67.05504	4.3
69.03452	1.6
69.07089	1.8
71.05019	1.4
73.02924	2.0
79.05490	3.1
81.03432	1.9
81.07062	5.7
82.07426	0.5
83.05000	1.1
83.08644	1.3
85.02904	3.4
87.04472	0.8
91.03996	1.1
91.05482	3.6
93.07043	3.4
95.05019	1.4
95.08607	2.0
96.30957	0.4
97.02898	2.9
97.06545	0.7
97.10231	1.5
98.22710	1.3
101.02401	0.8
105.07049	2.5
106.07401	0.5
107.05002	0.8
107.08567	2.2
109.02924	0.4
109.06552	0.9
109.10219	1.2
111.04476	0.6
117.07100	1.1
119.08625	1.7
121.06548	0.5
121.10212	1.5
123.08109	1.1
125.09692	1.5
127.03928	0.8
131.08640	1.3
133.10210	1.7
135.11736	1.0
143.08583	0.5
145.10216	1.2
147.08173	0.5
147.11679	0.9
157.10184	0.6
159.11685	0.7
163.11276	0.9
173.13344	0.5
184.07384	1.0
185.04355	0.7
189.70830	0.5
197.13417	0.5
229.00758	0.6
243.08487	3.9
273.18710	0.6
275.20203	0.7
301.09088	0.7
313.09177	0.7
347.21951	4.0
349.20108	1.2
367.34576	0.5
383.16888	0.6
391.62656	0.4
398.79904	0.5
405.22668	0.7
481.20505	1.6
497.20026	1.0
532.37671	0.5
549.26379	0.6
565.30011	4.1
567.27802	7.0
567.35803	0.6
637.32654	1.1
676.41846	0.6
768.31323	0.5
776.27893	0.5
807.41382	1.0
891.50610	100.0
892.51141	4.9
923.95624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46662	0.3
76.06249	0.3
76.07201	0.4
134.16956	0.5
176.04431	0.7
177.05246	0.6
203.06764	0.8
203.57011	0.4
204.03856	0.8
205.04721	56.3
206.05118	0.8
217.21085	0.4
218.05489	0.4
232.07019	0.6
234.51660	0.4
246.07378	0.7
267.24097	0.4
425.12314	0.7
438.12842	0.7
439.13608	2.7
440.14563	1.2
453.15201	2.4
459.16415	0.5
513.17493	0.5
623.21313	0.5
651.20618	0.4
665.22125	0.9
666.22913	0.8
679.22925	0.6
680.24567	0.6
893.31989	100.0
894.31952	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.0
69.03436	2.2
69.03764	0.3
69.07069	1.0
69.25597	2.0
71.04990	0.5
73.02925	2.2
79.05487	3.6
81.03414	1.6
81.07055	6.1
83.04984	0.5
83.08630	1.0
85.02897	2.9
91.03963	1.5
91.05479	2.3
93.07056	2.9
95.04962	1.7
95.08623	1.7
97.02914	2.9
97.06537	0.4
97.10184	0.5
99.04474	0.5
101.02391	1.0
105.07008	1.7
107.04979	0.6
107.08593	1.7
109.02876	0.6
109.06514	1.8
109.10152	0.9
111.04462	1.9
111.08073	0.6
113.31444	0.3
115.05520	0.3
117.07034	1.0
119.08569	1.9
121.06532	0.7
121.10160	0.9
123.08109	1.1
129.06998	0.9
131.08578	0.9
133.10202	0.6
135.08081	0.6
135.11685	0.7
137.09637	0.4
143.08607	0.8
145.10138	1.4
147.08032	0.9
147.11705	0.8
149.09676	0.8
159.11734	0.6
161.09648	0.5
163.11198	1.2
165.09084	0.3
181.12248	0.5
195.14890	0.4
203.05379	0.5
213.71735	0.3
243.08440	2.6
243.72192	0.5
266.04779	0.3
273.18527	0.9
291.19659	0.4
331.18826	4.0
367.16434	0.3
387.21228	2.2
520.70325	0.4
549.26794	11.2
550.26471	0.5
585.24115	2.5
695.41449	0.4
818.42322	0.3
826.80750	0.4
833.46503	0.5
857.45758	1.1
893.44055	100.0
894.44360	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	893.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	1.0
69.03423	0.7
69.07069	0.5
69.36642	1.5
73.02910	0.5
78.70438	0.3
79.05515	0.9
81.07065	0.9
83.05000	0.4
85.02898	0.7
91.03951	0.5
91.05463	0.5
93.07051	0.9
94.03734	0.3
95.04954	0.4
95.08614	0.3
97.02912	0.8
97.06484	0.3
101.02384	0.5
105.07075	0.5
107.08608	0.6
119.08657	0.7
121.10172	0.6
147.11758	0.3
230.53969	0.3
237.07590	0.4
243.08459	0.6
255.09015	0.4
257.64288	0.4
301.08926	0.4
349.16986	0.6
371.16867	0.5
551.28595	0.7
567.26813	0.4
693.13000	0.4
831.48059	1.3
864.00885	0.4
875.47754	1.0
893.46832	100.0
894.46985	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	893.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13770	0.3
67.05495	2.7
68.41943	0.3
69.03431	2.2
69.07063	2.1
71.05028	0.4
71.46025	0.3
73.02915	1.7
79.05497	3.0
81.03422	1.4
81.07054	4.0
83.05000	1.3
83.08617	1.2
85.02911	2.3
87.04464	0.4
91.03942	1.7
91.05499	1.8
93.07061	1.5
95.04983	0.8
95.08635	1.0
97.02877	2.5
97.06547	0.6
97.10176	1.6
99.04507	0.8
101.02395	0.8
105.07063	1.4
107.04991	0.5
107.08623	1.5
109.02888	0.6
109.10163	0.5
111.04439	0.7
117.07029	0.7
119.08618	1.1
121.06514	0.7
121.10194	1.0
123.08105	1.2
125.09669	0.9
127.03953	1.0
131.08575	0.6
133.10205	0.5
135.08099	0.5
135.11725	0.5
145.10149	0.5
147.11653	0.6
151.38911	0.4
163.11226	0.9
173.09497	0.4
185.04222	0.6
189.11253	0.7
201.03683	0.6
225.14037	0.4
241.07071	0.5
243.08415	3.3
267.52130	0.4
273.18549	0.5
301.09137	1.1
313.08868	0.6
315.10477	0.8
349.19864	4.1
355.08859	0.3
371.16840	0.5
383.16983	0.7
389.22684	0.5
390.61359	0.4
405.22632	1.1
451.19632	0.8
477.50992	0.4
497.20004	0.9
567.27722	11.5
639.29962	1.0
709.37262	0.5
777.41058	0.6
893.48621	100.0
894.48889	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	895.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89756	0.2
65.03957	0.3
67.05506	2.6
69.03434	2.3
69.07071	1.1
70.06612	0.2
71.01363	0.3
71.04980	0.4
73.02927	2.3
79.05504	3.4
81.03429	1.3
81.07063	3.5
83.04992	1.0
83.08628	1.2
85.02907	3.5
91.03962	1.4
91.05495	2.2
93.07044	2.5
95.04973	1.6
95.08615	1.3
97.02892	2.7
97.06528	0.5
97.10209	0.3
98.22527	0.4
99.04466	1.1
101.02391	0.9
103.03977	0.2
105.07043	1.9
107.04958	0.7
107.08609	2.0
109.02894	0.7
109.06543	0.9
109.10175	1.0
111.04429	1.1
111.08092	0.4
117.01324	0.2
117.07072	1.0
119.08569	1.6
121.06516	0.5
121.10133	1.6
123.08062	1.2
125.09671	0.7
127.03944	0.6
129.07057	0.5
131.08551	1.2
133.10162	0.7
135.08080	0.3
135.11705	0.6
137.09697	0.3
143.08615	0.4
145.10123	1.1
147.08080	0.6
147.11778	0.3
149.02322	0.3
149.09651	1.0
157.10127	0.5
159.11702	0.6
161.09651	0.3
163.11156	1.2
171.11780	0.3
185.04366	0.3
203.05380	0.6
223.13326	0.4
243.08437	3.0
273.18604	0.7
275.20331	0.8
291.19684	0.3
301.17758	0.3
331.18750	1.4
333.20300	1.5
367.16888	0.3
387.21613	0.7
389.23151	0.6
549.26794	4.6
551.28302	6.3
585.24316	2.2
605.07745	0.2
656.80615	0.3
859.47852	1.1
895.45789	100.0
896.45868	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	895.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03974	0.6
67.05511	3.3
67.92095	0.5
69.03438	2.7
69.07069	1.8
69.56719	2.4
71.31808	0.6
73.02927	2.1
74.51239	0.5
79.05477	3.1
81.03404	0.9
81.07055	6.3
81.76665	0.5
83.04991	0.6
83.08629	0.9
85.02904	2.8
91.03983	1.7
91.05489	2.3
93.07059	1.9
95.04969	1.1
95.08627	1.3
97.02905	2.4
97.06529	0.7
99.04511	0.6
101.02412	1.3
105.07056	2.4
107.04941	0.7
107.08619	1.1
109.06512	0.7
109.10201	1.3
117.07069	0.8
119.08618	2.0
121.10183	1.7
123.08098	0.9
123.11739	0.7
127.03964	0.8
131.08606	1.0
134.83263	0.5
135.11694	0.8
143.08583	0.9
145.10155	1.2
147.11726	0.9
149.09624	0.9
159.11649	0.7
163.11208	1.1
184.07352	0.9
243.08476	3.2
273.18564	0.7
331.18741	1.0
333.20349	2.9
368.87079	0.6
387.22018	0.8
526.47290	0.6
549.26715	4.7
551.28198	4.5
585.24286	2.9
648.91266	0.6
859.48584	0.9
895.45715	100.0
896.45654	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	895.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86641	0.5
64.92158	0.4
65.03927	0.5
67.05505	3.3
69.03440	2.0
69.07077	0.9
73.02921	2.2
79.05486	2.6
81.03427	1.2
81.07055	3.9
81.73330	0.4
83.04977	0.6
83.08630	1.3
85.02908	2.8
89.06047	0.5
91.03983	1.6
91.05493	1.6
93.07046	2.2
95.04995	1.2
95.08632	1.7
97.02890	3.2
97.06512	0.4
99.04485	0.6
101.02386	1.1
105.07049	1.6
106.18430	0.3
107.04978	0.5
107.08607	1.2
109.02832	0.4
109.06538	0.5
109.10185	1.2
111.04412	0.6
117.07028	1.2
119.08564	2.2
121.10159	0.8
123.08102	0.9
123.11687	0.6
125.09618	0.4
127.03942	1.0
131.08594	1.1
133.10149	1.1
145.10170	1.0
147.08136	0.4
147.11694	0.7
149.09697	0.8
154.21030	0.4
159.11736	0.6
163.11234	1.0
173.13374	0.5
180.73256	0.4
193.05099	0.4
203.05345	1.0
243.08363	2.7
245.44576	0.4
275.19968	0.5
331.18832	1.1
333.20410	2.2
405.13867	0.5
455.18887	0.9
533.27081	0.5
549.26740	3.1
551.28253	5.4
585.24689	2.1
859.47626	1.5
895.45764	100.0
896.45770	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	900.594
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05520	0.6
68.09232	0.5
69.07072	0.9
69.30315	2.5
71.07386	4.1
71.08624	2.5
81.07061	1.7
83.08610	0.9
85.10174	2.3
86.09708	19.9
95.08617	1.8
104.10742	100.0
105.11115	0.8
109.10145	1.2
146.98177	15.4
184.07423	1.2
228.76614	0.6
313.27335	9.4
313.30804	0.7
314.28088	0.6
389.84564	0.6
415.22211	1.7
459.19659	0.5
459.24789	34.7
518.32190	98.0
519.32440	2.5
759.63043	0.6
871.96063	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	1.8
66.41961	1.8
67.05505	33.2
69.03447	5.6
69.07071	27.9
71.05012	3.8
71.12397	1.5
79.05496	48.4
79.05949	3.2
81.03422	9.4
81.07058	68.2
83.05000	7.7
83.08623	10.6
85.02933	3.9
91.05481	39.1
93.07049	37.1
95.04963	19.6
95.08605	22.3
97.02930	3.5
97.06552	6.9
97.10181	16.0
99.00821	3.9
99.04457	2.4
103.05473	1.9
104.10756	4.1
105.07021	25.4
107.04955	17.1
107.08604	21.6
109.02869	8.5
109.06503	15.9
109.10152	13.1
111.04450	6.2
111.08094	5.0
115.05477	2.1
117.07018	16.9
119.08583	29.6
121.06487	11.5
121.10144	12.6
123.04417	3.1
123.08068	12.9
125.09635	12.1
128.06204	4.0
129.06999	10.3
131.08571	16.9
133.00587	2.4
133.06496	4.8
133.10141	16.8
135.08055	14.3
135.11690	6.6
137.09625	6.8
141.06949	3.1
143.08539	8.7
145.06511	3.0
145.10130	17.1
147.08025	10.5
147.11710	6.4
149.09651	14.0
151.11151	2.7
153.09120	3.9
153.12714	3.6
155.08618	4.4
157.10139	9.0
159.08064	7.1
159.11726	6.6
161.09650	15.3
163.07574	5.8
163.11169	7.9
165.09128	2.6
169.10136	4.1
171.08104	1.8
171.10249	2.4
171.11723	4.4
173.09642	4.5
173.13245	2.7
175.11200	4.5
177.09052	1.7
179.10843	1.9
181.12399	1.9
183.11980	1.7
185.09666	2.1
185.13380	2.9
189.09238	2.1
189.11243	5.2
191.10643	2.9
193.12257	19.5
197.07329	4.2
199.11156	2.0
213.10582	1.8
219.61211	1.9
227.12854	7.7
227.17863	3.0
237.16402	2.1
245.19043	3.1
249.14842	2.2
255.17439	3.7
261.18527	2.8
271.17029	6.1
273.18518	30.0
283.15417	4.2
289.18030	22.0
291.19577	35.0
307.19052	5.5
309.16138	7.3
327.17087	2.2
345.13794	1.7
345.20551	1.9
347.22110	9.8
363.21771	8.6
365.22791	2.4
381.22717	100.0
383.19843	34.1
401.20929	49.7
405.49820	1.7
573.33752	2.2
635.39337	5.9
653.40393	13.5
671.42041	12.1
689.38080	50.4
707.39197	62.5
708.39209	3.9
904.47400	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	906.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	0.1
69.55959	0.2
71.04955	0.0
77.03928	0.4
79.05488	0.8
81.03410	0.1
85.02900	1.1
85.06042	0.1
85.06541	1.7
91.03968	0.1
91.05494	0.1
95.04964	1.5
97.02884	0.3
99.04469	0.1
105.04516	0.9
107.04947	100.0
108.05273	0.6
109.02858	0.1
119.04906	0.1
123.04424	0.1
127.03899	0.3
145.04945	0.7
145.08585	1.8
163.06047	0.3
191.09119	0.9
213.09084	2.6
257.54703	0.0
267.08618	0.1
269.10175	0.2
289.09204	0.1
297.13333	0.8
313.60803	0.0
325.11282	0.7
487.16492	0.1
757.71021	0.1
864.89972	0.0
928.25873	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	4.0
67.05503	51.4
69.03432	5.8
69.06707	2.1
69.07067	23.7
71.04983	4.4
73.02928	1.3
77.03905	2.5
79.05492	56.9
79.80048	1.0
81.03409	12.9
81.07055	100.0
83.04978	15.4
83.08621	22.4
85.02895	6.4
85.06523	2.1
86.41312	0.9
88.94914	1.1
89.01602	1.2
91.05477	43.6
93.07047	49.5
95.01349	1.1
95.04970	28.2
95.08604	25.6
97.02894	2.9
97.06525	8.3
97.10168	25.0
99.04458	1.7
99.08101	2.8
105.04497	2.9
105.07028	35.8
107.04958	22.6
107.08591	31.7
107.41911	1.0
109.06508	16.1
109.10158	15.9
111.04441	12.9
111.08091	8.2
115.05439	3.7
116.06211	1.4
117.01034	1.8
117.06201	1.2
117.07018	19.2
119.04922	2.4
119.08578	38.2
121.06498	14.3
121.10141	20.5
123.04353	1.3
123.08070	31.0
123.11693	1.8
125.05938	1.3
125.09628	24.3
128.06232	4.3
129.06996	12.8
130.07809	2.4
131.02608	1.2
131.04909	1.5
131.08563	23.4
133.00546	1.3
133.06497	7.1
133.10138	15.5
135.08047	12.7
135.11688	11.2
137.09590	7.7
139.07504	1.1
139.11205	1.0
141.06993	3.0
142.07765	2.6
143.08560	9.8
145.00484	1.1
145.06477	2.8
145.10124	24.4
147.08043	17.9
147.11673	7.9
149.09616	18.9
149.13290	2.0
151.11165	1.9
153.09111	3.3
153.12737	4.7
155.08553	4.4
157.06563	1.6
157.10132	12.3
159.08046	4.7
159.11679	10.2
161.09619	14.7
161.13260	1.8
163.11179	24.7
165.07019	1.4
165.09099	4.3
167.08565	2.6
169.10106	5.3
171.08034	1.7
171.10368	1.6
171.11690	7.0
173.09639	6.6
173.13252	2.7
175.11176	7.8
176.12329	1.1
177.09126	1.5
177.12711	2.8
181.10172	2.9
181.12175	6.5
183.11647	2.6
185.09630	2.4
185.13271	3.6
187.11127	2.1
189.09415	1.7
189.11212	16.0
189.12766	2.6
191.10672	5.4
193.12291	5.1
195.11726	2.3
197.07291	4.3
199.11224	2.7
199.14819	1.6
201.12801	1.6
203.14349	1.8
209.11607	1.4
209.13361	1.7
211.13148	1.0
213.12709	1.8
213.16374	2.4
218.80162	1.0
223.13280	5.0
227.12767	22.2
227.17918	4.4
231.13857	1.6
237.16425	2.6
245.18997	5.9
249.14908	2.7
255.17468	6.3
271.16895	1.5
273.18488	58.6
283.15359	4.1
291.19531	94.1
309.16162	5.4
309.20557	8.3
327.17218	3.1
329.21149	2.2
347.22177	22.4
365.23230	46.2
366.23749	1.1
383.19730	33.4
383.24307	20.7
401.20865	47.8
517.32196	1.5
545.35779	1.7
553.29028	2.3
581.38470	1.6
609.31635	1.6
619.39594	3.6
637.40961	13.1
655.40540	9.4
673.38580	35.2
674.38916	1.8
691.39679	41.6
692.39063	1.5
709.40527	25.6
906.44849	4.9
907.43390	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.6
69.03435	2.1
69.07076	2.3
69.55762	1.4
70.30640	0.4
71.05019	0.6
73.02909	2.5
73.03266	0.3
79.05511	2.9
81.03429	1.6
81.07063	4.0
83.04987	1.0
83.08640	1.0
85.02908	3.9
88.78787	0.4
91.03939	1.9
91.05471	2.9
93.07033	2.0
95.04974	1.2
95.08632	1.7
97.02897	2.7
97.10187	0.6
99.04441	0.4
101.02409	1.6
104.10762	1.6
105.04510	0.5
105.07075	1.2
107.04971	1.0
107.08619	1.5
109.02895	1.0
109.06528	0.9
109.10181	1.2
111.04451	0.7
111.08066	0.5
111.46334	0.4
117.07047	0.5
119.08576	1.9
121.10179	1.2
123.08104	1.6
125.09636	0.7
127.03928	0.9
131.08604	1.0
133.10185	1.0
135.08121	0.8
135.11707	0.9
137.09573	0.5
143.08620	0.7
145.10179	1.0
147.08070	0.6
147.11687	0.5
149.09702	0.5
159.08023	0.4
161.09702	0.7
163.07602	0.5
163.11246	0.7
173.09636	0.4
185.04288	0.8
190.60034	0.4
200.01276	0.4
203.05301	0.4
210.75531	0.5
243.08380	3.2
259.08084	0.5
301.09091	0.6
313.09085	0.4
315.10532	0.5
331.18890	1.1
335.25830	0.6
367.16180	0.5
369.15338	0.5
387.21652	0.7
403.21820	0.5
411.16714	0.5
439.19650	0.8
467.18979	0.7
467.89761	0.4
495.18710	0.6
549.26550	4.6
565.26068	3.7
585.24274	2.7
810.01050	0.5
873.45911	1.3
909.43677	100.0
910.43970	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	911.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05518	3.5
67.94696	0.7
69.03442	2.7
69.07086	1.6
70.31396	1.0
70.58275	0.9
70.58627	0.9
72.22472	0.8
73.02925	2.3
75.67082	0.9
79.05509	2.9
81.03469	1.0
81.07039	4.4
83.05006	0.9
85.02925	2.8
91.03993	2.3
91.05474	2.0
93.07066	2.3
96.89941	0.9
97.02917	2.3
105.07066	1.9
107.05000	1.0
107.08609	1.3
109.10201	1.1
121.06520	1.1
121.10171	1.1
123.08080	1.7
125.09641	0.8
127.04008	1.0
135.11739	0.9
145.10210	1.3
161.41925	0.9
163.11305	1.0
174.81938	0.9
184.07336	1.7
226.63245	0.8
243.08524	2.3
273.18463	0.8
331.18869	1.6
349.20056	1.6
474.29828	0.9
549.26807	4.3
567.27875	5.3
585.24475	2.2
594.29779	1.0
823.47052	1.1
875.48358	1.6
911.45190	100.0
912.46136	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	918.4718
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89374	0.5
69.07052	0.7
70.06591	94.8
70.26810	1.0
72.08168	2.1
83.06100	1.1
84.04515	5.9
84.08064	0.4
85.21072	0.4
86.09711	2.3
91.05484	7.2
98.06049	1.3
98.22817	0.5
100.07629	0.6
101.07150	3.7
106.89940	0.4
107.04954	1.8
115.08719	0.5
119.04935	5.4
121.06506	0.8
124.11246	0.9
126.05537	0.5
127.08675	20.4
129.06616	1.8
136.07571	100.0
137.07957	0.6
138.12762	3.2
146.06061	0.7
147.04399	2.0
148.07584	1.3
152.10695	1.1
155.08147	56.7
169.13356	10.0
172.10738	1.1
180.11389	0.5
181.09721	7.0
188.10692	2.7
193.09718	10.2
196.14487	1.9
197.12900	4.6
202.08618	0.9
208.10876	1.3
209.09248	2.6
209.12923	0.7
211.14449	1.0
214.15495	2.4
221.09273	1.7
233.12833	0.5
242.15001	1.2
252.13519	1.1
254.11792	1.3
258.07559	0.5
273.12283	0.7
275.10345	1.1
287.17374	0.6
290.14948	8.0
292.12906	5.2
299.13895	6.1
311.14047	0.6
318.14471	21.5
322.17694	0.7
327.13461	1.4
335.17130	0.8
339.13342	0.5
339.20657	0.5
351.20346	1.5
353.94876	0.5
360.19095	0.6
368.22940	0.6
382.17722	0.7
384.15613	1.1
387.20358	1.0
400.20065	0.8
401.18085	2.0
405.21301	1.2
410.17242	0.9
415.19858	0.7
420.26086	0.9
428.19131	0.5
429.17798	0.9
438.27121	0.9
453.21378	4.9
455.19110	0.8
472.86453	0.5
481.20758	6.0
486.27170	1.2
498.23532	1.5
514.26654	4.1
542.26007	1.6
568.27911	0.7
581.27325	0.9
591.25378	0.8
592.23871	1.4
601.33466	0.7
609.26715	12.3
625.29547	0.8
649.32971	0.6
677.32593	3.2
694.35547	4.7
695.83154	0.5
704.34137	1.0
705.32770	3.3
706.31421	0.6
722.35077	29.7
723.35022	0.9
777.38818	0.5
788.35834	0.5
805.24567	0.7
805.38635	10.2
807.44427	0.7
819.40369	3.8
821.40942	0.6
890.47485	5.6
918.47119	28.5
919.47357	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4569
Annotation	Unknow
Peak:m/z	Relative Intensity
65.55462	0.3
66.70100	0.3
68.05034	0.6
70.02956	2.9
70.06589	44.6
71.06915	0.4
71.46615	0.3
81.04530	2.1
82.05331	0.9
83.06100	9.3
84.04497	2.1
86.09704	22.6
87.05588	4.4
91.05498	1.8
93.04524	5.6
95.06082	3.3
96.04510	0.5
96.36221	0.3
98.09669	0.4
102.05567	1.4
107.04971	1.0
110.07160	100.0
111.05524	0.4
113.07169	0.6
114.05489	0.4
115.08707	0.6
116.07109	0.7
119.04902	1.6
120.05602	0.7
121.04003	1.0
121.06519	0.6
122.07160	2.5
123.05580	1.4
125.07110	2.9
127.79359	0.3
134.07173	0.4
136.07571	15.2
138.06633	2.2
138.12769	0.6
139.08713	0.6
141.06587	1.4
143.11807	4.1
146.06042	0.8
148.07632	0.8
148.08702	0.9
149.07146	0.5
150.05534	0.4
150.06662	1.1
151.07396	0.4
153.10312	0.4
155.08231	0.4
155.09346	0.8
156.07756	0.6
159.07686	0.9
162.06618	0.7
162.10249	2.2
164.07082	0.4
166.06133	3.8
167.08177	1.2
167.11835	0.9
169.06056	2.0
171.11336	1.5
175.09851	0.5
176.08208	6.1
177.06569	0.4
178.13397	5.7
179.09268	0.4
183.11375	1.5
184.10832	0.8
187.07185	2.3
190.06120	0.5
190.13472	1.3
194.09244	6.4
195.07613	5.0
195.09055	0.4
196.06119	1.1
204.07793	1.1
204.13918	0.8
206.12912	1.1
207.06819	0.3
207.08734	0.7
211.18158	0.6
212.10283	1.7
217.11095	0.3
217.13358	0.4
221.10344	4.8
222.08833	1.1
223.15529	2.9
227.10266	0.4
227.14000	0.7
228.11336	1.4
228.13524	1.4
233.12794	14.8
234.12323	3.1
234.60101	0.3
235.11949	0.8
235.15665	0.6
239.11400	7.0
239.13602	0.5
243.11305	0.4
247.35149	0.4
249.09825	5.4
249.16057	0.9
250.08261	0.8
251.15024	5.8
254.15028	0.9
255.13499	0.6
260.11603	1.3
261.12283	8.2
261.15988	0.4
263.14172	0.5
267.10880	11.5
267.13748	0.7
270.12280	3.1
272.16348	0.4
278.12381	0.7
279.10962	0.7
279.14374	0.4
282.14600	1.2
285.15796	1.2
287.10379	0.4
288.10968	1.8
291.13571	0.5
295.10431	0.6
297.12308	0.5
306.11954	8.2
308.16098	0.5
313.11896	1.5
316.12991	1.6
317.15784	0.4
319.10504	0.6
324.13004	3.1
341.11447	1.2
351.17191	0.7
352.12717	0.9
357.15857	1.0
358.13953	2.0
362.18063	0.5
369.17673	0.6
373.20142	0.4
374.21362	0.6
375.16669	1.6
380.19327	1.2
386.13797	0.5
392.19760	0.4
396.20035	0.7
409.21954	1.6
414.20801	0.5
419.19864	0.5
426.20334	0.4
437.21469	2.3
442.21051	0.5
483.27216	0.8
494.22214	0.4
506.23734	0.8
511.26517	1.7
515.24225	0.4
542.33124	0.4
550.29352	0.6
551.25824	3.8
574.85236	0.4
640.30725	1.8
641.33618	0.5
658.34607	0.5
664.34338	1.2
674.57880	0.4
697.33203	0.6
754.35455	0.5
787.39624	0.9
795.41083	0.6
810.41290	2.3
811.37335	2.3
878.46759	0.5
879.43170	1.2
896.46118	7.6
906.44794	2.2
907.43121	3.3
924.45660	81.0
925.45685	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	928.62
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	1.6
71.08627	1.4
73.02916	3.8
73.06554	4.1
79.05502	1.6
87.04466	40.1
89.06029	100.0
90.06350	1.3
91.05463	9.3
93.07066	6.2
94.72777	1.0
95.04951	3.1
103.05453	3.0
105.07037	3.2
107.04944	1.7
107.07077	3.0
107.08598	4.2
113.13274	1.2
117.06994	2.5
117.09129	4.6
118.07796	4.7
119.04925	4.8
119.08593	6.4
121.06496	21.8
121.07317	1.6
121.10152	1.8
126.09650	1.1
129.07008	1.6
130.08647	2.2
131.07045	15.0
133.08603	69.9
135.08067	4.6
135.11696	3.0
147.08051	15.2
149.09607	6.4
150.06737	5.1
159.11732	2.5
161.09706	1.2
161.11671	1.2
163.07523	1.0
163.11180	2.8
165.09126	3.9
167.10724	1.9
173.09579	1.2
175.09630	10.0
177.11218	28.1
177.12717	1.8
184.07347	1.6
191.10680	3.1
193.12309	1.5
209.11736	2.3
211.13275	4.1
217.12283	1.1
219.12256	4.6
221.13850	6.3
233.19025	21.4
235.13266	3.7
245.13680	1.2
255.15860	2.4
259.20313	4.7
265.16544	2.1
275.20294	1.1
275.23727	2.7
277.21640	27.0
279.15994	2.3
283.17426	2.1
297.16968	1.5
299.18597	1.6
303.23151	3.2
309.19037	1.2
319.22778	1.6
321.24200	7.3
327.20172	1.5
353.21622	2.0
355.22626	1.4
387.23175	1.0
441.26392	1.2
548.56525	1.1
911.58942	5.0
928.48322	2.1
928.62262	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.63
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	0.2
67.05161	0.3
67.05501	4.0
69.07066	4.4
69.39115	0.2
69.39506	0.4
70.06589	3.9
71.04994	1.3
71.08625	0.9
72.06859	0.1
72.08153	0.2
74.06086	0.3
79.05485	0.9
81.07052	6.7
83.08617	3.5
84.08138	1.1
85.02888	0.3
85.06536	0.4
85.10187	0.3
88.07635	0.2
91.03951	0.2
91.05470	0.4
92.48367	0.1
93.07033	1.0
95.08601	6.5
97.02882	0.2
97.10170	1.7
98.09687	0.4
102.09173	0.6
103.53724	0.1
104.10770	0.2
105.07048	0.2
107.08595	0.5
109.10159	3.5
110.17699	0.1
111.11703	0.3
116.10725	0.2
117.07008	0.2
119.08547	0.2
121.10116	0.7
123.11719	1.0
127.03858	0.2
130.12245	0.1
131.08537	0.3
133.10104	0.3
135.11674	0.6
137.13229	0.3
145.04980	0.2
145.10159	0.3
149.13249	0.6
156.17453	0.2
159.11658	0.4
161.13264	0.3
163.05983	0.5
163.14833	0.3
173.13283	0.2
184.07175	0.2
187.14841	0.3
198.22177	0.4
210.22151	0.2
229.79541	0.2
238.25281	11.8
239.25797	0.2
243.21053	1.1
256.26334	100.0
257.26712	1.2
261.22125	3.3
335.25552	0.8
353.26831	2.4
489.34003	0.1
507.03119	0.1
521.41595	0.1
612.39935	0.1
775.95209	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	934.6465
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06708	0.7
69.07063	9.4
70.06615	0.5
71.08611	1.4
79.15777	0.4
83.08620	7.0
85.10171	1.1
97.10162	5.2
98.23502	1.0
106.10772	0.4
109.10899	0.4
111.11721	1.8
125.48454	0.5
139.61606	0.5
199.36166	0.5
240.26852	82.7
241.25153	1.1
241.27373	0.9
258.27921	100.0
259.28281	1.3
332.86404	0.5
472.57288	0.6
614.45233	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40741	1.7
76.02216	1.5
84.04510	0.4
91.05511	0.4
95.10610	0.3
103.05477	0.7
116.01627	0.4
121.06501	0.4
127.04920	0.3
131.04926	0.6
135.07957	0.4
137.09689	0.5
162.02206	0.8
163.07581	0.4
167.07054	1.2
179.04878	1.3
181.04962	1.1
191.07069	1.7
194.05237	0.3
203.87990	0.4
209.08141	1.1
210.08493	0.6
213.12636	0.4
227.05287	0.6
229.03555	0.4
231.13629	3.1
233.05888	0.3
245.06383	1.1
263.09235	0.4
267.14301	0.3
271.04230	1.4
289.05301	2.4
291.14349	2.4
308.09106	1.6
309.09338	0.6
309.15384	0.4
333.15646	0.8
340.27621	0.3
375.17548	0.7
393.18719	8.0
411.18509	0.4
417.18896	1.1
435.19797	14.9
436.19946	0.4
453.19418	0.4
479.18887	100.0
480.19147	2.1
608.10626	0.4
935.32245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40741	1.7
76.02216	1.5
84.04510	0.4
91.05511	0.4
95.10610	0.3
103.05477	0.7
116.01627	0.4
121.06501	0.4
127.04920	0.3
131.04926	0.6
135.07957	0.4
137.09689	0.5
162.02206	0.8
163.07581	0.4
167.07054	1.2
179.04878	1.3
181.04962	1.1
191.07069	1.7
194.05237	0.3
203.87990	0.4
209.08141	1.1
210.08493	0.6
213.12636	0.4
227.05287	0.6
229.03555	0.4
231.13629	3.1
233.05888	0.3
245.06383	1.1
263.09235	0.4
267.14301	0.3
271.04230	1.4
289.05301	2.4
291.14349	2.4
308.09106	1.6
309.09338	0.6
309.15384	0.4
333.15646	0.8
340.27621	0.3
375.17548	0.7
393.18719	8.0
411.18509	0.4
417.18896	1.1
435.19797	14.9
436.19946	0.4
453.19418	0.4
479.18887	100.0
480.19147	2.1
608.10626	0.4
935.32245	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	942.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.7
69.09959	0.5
71.07371	5.2
71.08627	1.1
75.55839	0.8
81.07040	1.2
86.09702	44.5
93.30581	0.7
95.08620	1.1
98.98460	1.9
104.10740	100.0
125.00000	23.2
163.01596	0.8
164.06883	0.6
180.02345	0.6
184.07336	97.1
185.07549	0.6
267.89471	0.6
313.27448	2.8
341.53049	0.6
478.32895	10.3
496.33960	97.7
497.33990	1.5
507.27206	1.0
510.32733	0.6
521.91296	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	949.6249
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.6
67.09248	0.2
69.07059	0.3
69.13564	0.9
71.07013	0.4
71.07372	5.1
71.08617	1.7
80.39951	0.2
81.07032	0.6
83.08638	0.3
85.10178	0.7
86.09704	47.5
95.08582	1.2
98.98462	2.4
104.10739	96.0
105.11055	0.3
107.13443	0.2
109.10145	0.5
124.99998	25.9
143.01111	0.3
163.01547	0.9
166.02641	0.3
184.07336	98.4
185.07651	0.2
258.11063	0.9
301.48560	0.2
313.27420	2.9
364.28403	0.3
419.25592	0.5
478.32944	8.5
496.33960	100.0
497.34299	2.3
518.31927	0.5
677.57458	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	954.615
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	34.0
69.03420	2.4
69.07071	8.5
70.73125	1.0
71.04987	1.7
71.08630	0.6
73.02917	2.1
79.05038	1.1
79.05491	20.5
81.07056	39.8
83.04982	0.7
83.08616	5.4
85.02906	12.7
85.06544	0.8
91.03435	0.9
91.03958	7.8
91.05478	16.1
92.52364	0.5
93.07043	27.3
95.04991	2.6
95.08604	34.1
97.02319	0.7
97.02900	5.9
97.06518	1.4
97.10188	2.7
99.04462	0.9
99.08092	1.1
105.04520	1.3
105.07030	13.8
107.08595	14.6
109.06509	0.9
109.10156	17.5
111.08066	1.2
111.11749	0.8
112.65578	0.5
115.03938	0.5
115.05436	0.5
117.07021	5.2
119.08578	10.4
121.10140	17.0
123.08099	0.9
123.11694	8.0
127.03918	4.7
129.07045	0.9
131.07640	0.9
131.08569	9.7
133.10139	11.7
135.11694	13.6
137.13226	2.5
139.11192	0.6
143.08557	1.7
145.04945	5.3
145.10130	7.8
147.11674	10.5
149.09604	0.9
149.13261	8.2
151.14799	1.1
157.10118	1.6
159.11699	7.6
161.13284	6.8
163.06027	8.0
163.11165	0.7
163.14795	4.7
163.46291	0.6
171.11690	2.2
173.13248	7.6
175.14813	3.7
177.12740	0.7
177.16345	1.3
179.14406	0.6
185.13295	2.0
185.97430	0.5
187.14778	2.8
189.16354	1.4
199.14841	1.9
201.16336	1.6
203.17944	1.2
205.15944	0.8
213.16516	0.7
215.18051	0.9
217.19322	0.6
219.17490	0.7
231.21129	0.8
233.22740	1.3
241.19614	4.1
243.21103	6.4
245.22650	1.9
257.18967	1.1
259.20538	10.0
261.22134	20.6
261.24969	1.0
263.23676	2.9
285.22098	0.8
287.23566	0.8
313.25174	0.7
315.23364	1.4
317.24774	4.7
323.25931	0.7
327.26523	0.7
333.24277	9.4
335.25797	100.0
336.26184	1.3
337.27368	15.9
341.28220	0.8
355.30109	0.7
361.27191	0.7
451.35815	0.7
489.35950	1.1
497.30972	0.7
503.42874	1.2
521.43585	3.4
539.44397	1.5
543.40497	1.0
595.47217	20.0
613.48285	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	956.5732
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	5.4
69.07051	1.7
70.42942	0.8
73.92884	0.3
76.18716	0.4
77.05614	0.3
77.46694	0.4
78.04707	0.4
79.05482	3.7
80.05014	4.8
81.07051	5.3
83.08621	0.9
85.02924	0.6
91.05468	2.5
93.07036	3.0
94.06567	14.4
95.04957	1.3
95.06798	0.8
95.07357	10.8
95.08618	2.5
97.06517	0.4
98.23444	0.4
100.31724	0.4
104.95911	0.4
105.05814	0.4
105.07018	1.7
106.04159	0.5
106.06565	3.3
107.04933	0.7
107.08578	1.5
108.04492	3.1
109.06516	0.8
109.10136	1.5
117.07034	0.9
119.08546	1.3
121.06498	0.4
121.10126	1.0
122.06032	44.6
123.06814	18.8
123.07777	0.7
123.08100	0.6
124.07565	1.8
129.07033	0.4
131.08556	0.9
132.04471	0.7
133.10112	0.9
134.06020	7.2
135.08072	0.4
135.11661	0.5
145.10115	0.7
147.11668	0.6
150.05505	98.7
151.06285	63.9
152.07074	15.5
152.08018	0.4
161.09636	0.6
163.11148	0.4
171.11797	0.4
188.07076	0.6
211.74066	0.4
273.18512	0.9
291.19656	0.9
316.19254	0.6
332.18600	0.4
335.25864	5.5
396.25345	0.7
414.26312	1.0
423.61362	0.4
424.24948	1.5
442.25916	17.0
460.27103	4.2
516.29645	7.6
534.30621	19.7
760.18262	0.5
776.50885	29.4
777.51855	1.0
794.51996	100.0
795.52057	3.3
956.39557	0.6
956.57111	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	956.5734
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	3.7
69.07042	2.0
74.95441	0.6
76.80721	0.5
78.04679	0.6
79.05485	3.9
80.04990	3.8
81.07056	5.1
83.04955	0.7
83.08591	1.0
84.33067	0.5
91.05490	3.1
93.07033	2.5
94.06564	12.2
95.04947	1.5
95.07349	12.6
95.08597	2.6
97.06564	0.9
103.78211	0.6
105.07018	1.7
106.06533	3.5
107.04939	1.3
107.08579	2.1
108.04462	2.4
109.06516	1.0
109.10131	1.0
117.06967	0.7
119.08566	1.6
121.10081	1.4
122.06025	49.0
123.06807	19.5
123.08102	0.7
124.07579	2.0
131.08507	1.1
132.08084	0.6
133.10097	0.9
134.06017	8.1
135.11697	1.0
139.10313	0.6
143.08571	0.9
145.10117	1.4
146.06004	0.8
147.11691	0.6
150.05499	100.0
151.06282	64.8
152.07068	15.7
188.07025	0.6
199.10899	0.5
273.18567	1.1
335.25919	2.7
414.26376	1.4
424.24789	2.5
442.25867	24.0
460.27029	3.9
516.29590	10.4
534.30676	9.1
691.38867	0.8
776.50946	23.6
794.51978	87.8
795.52466	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	958.5886
Annotation	Unknow
Peak:m/z	Relative Intensity
66.92729	0.5
67.05399	22.4
67.05799	3.5
69.03323	2.8
69.06960	7.8
69.07369	1.0
71.04905	1.3
71.11581	0.6
73.02815	1.9
77.03844	0.7
79.05379	21.7
79.05894	2.4
81.03300	3.6
81.06942	28.8
83.04865	2.2
83.05333	0.9
83.08506	4.2
83.09035	1.0
85.02792	4.2
85.06452	0.9
91.03842	1.9
91.05358	25.2
91.05974	2.3
92.01837	0.4
93.06920	20.8
93.07571	1.6
95.04840	8.6
95.08485	16.7
95.09142	1.1
97.02760	4.8
97.06518	2.9
97.10043	2.8
99.04346	0.6
99.07990	0.7
101.02272	0.6
103.05355	1.4
105.04379	2.0
105.06904	13.6
105.07668	1.1
107.04821	5.5
107.05592	1.0
107.08463	11.9
109.06378	4.9
109.10134	6.4
111.07971	1.3
115.05317	1.7
117.07018	7.6
119.04935	5.4
119.08572	11.4
121.06486	4.9
121.10142	9.5
123.04437	3.6
123.08031	3.1
123.11577	1.9
124.05118	1.0
125.09507	1.6
127.03802	0.9
128.06102	1.2
129.06999	3.7
131.04784	2.1
131.08556	8.4
133.06506	4.0
133.10124	6.7
135.04425	4.5
135.08017	3.6
135.11684	5.1
137.05977	33.1
137.09454	1.6
141.06927	1.0
142.07706	0.9
143.08565	2.8
145.06520	3.3
145.10112	5.5
147.04364	3.5
147.08061	5.4
147.11685	4.7
148.07399	1.0
149.05994	4.3
149.09636	3.9
149.13199	2.4
152.06972	1.1
153.06842	0.9
154.08661	4.6
155.08455	1.3
157.06351	1.9
157.10106	3.5
159.07874	1.7
159.11703	2.8
160.04996	0.6
161.04753	0.6
161.05959	6.5
161.09605	4.0
161.13220	1.4
163.07487	2.8
163.11191	2.9
164.06894	2.4
165.12625	0.8
167.08414	1.4
169.06343	1.1
169.09962	1.0
171.07899	1.6
171.11584	1.7
173.05971	6.2
173.09560	2.6
173.13101	1.0
175.07550	5.2
175.11113	2.8
176.06987	1.0
177.07722	1.2
177.09093	1.1
177.12671	1.4
181.10049	1.0
183.07938	1.2
183.11636	1.1
185.09534	1.3
185.13188	1.2
187.07568	5.0
187.11028	1.0
187.14732	0.6
189.08936	2.1
189.10956	0.6
189.12553	0.7
190.08473	1.4
191.06902	0.6
193.12071	1.1
195.07930	0.6
197.06053	0.6
197.09474	1.3
201.05428	0.7
201.08936	1.9
203.10582	0.9
205.12177	0.7
209.09554	1.0
213.08951	1.9
213.12660	1.1
215.10632	2.7
223.13196	0.6
225.12686	0.7
227.10590	0.8
227.17944	0.6
232.13164	1.5
237.09004	0.6
237.16354	0.7
239.10594	0.6
245.18707	0.9
249.14819	0.7
255.17293	1.3
257.15286	0.9
271.13052	0.7
273.16092	0.6
273.18530	7.9
274.18002	0.9
275.19989	0.8
285.14658	2.0
291.19537	7.1
299.16412	0.7
302.17578	3.7
303.15817	1.1
311.16208	2.2
313.17746	1.2
328.19034	2.0
329.17319	0.8
335.25818	12.0
347.22089	1.3
359.18759	0.7
365.23285	0.8
381.24207	0.7
402.22888	1.0
408.25174	0.6
409.23569	1.5
426.26263	1.7
427.24731	1.1
500.30124	1.8
518.31305	3.2
536.31360	0.7
607.43799	1.1
625.44598	0.9
654.43469	1.3
680.35095	0.8
680.45392	11.8
749.50134	0.7
760.51331	6.5
761.51636	0.7
778.52460	30.5
779.52100	1.7
796.53479	100.0
797.53577	4.4
816.49182	1.8
838.54736	1.4
842.50336	7.1
846.18958	0.7
874.54639	1.7
886.55023	0.7
904.55463	2.1
922.56641	7.6
940.57581	18.7
958.58777	99.8
959.59052	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	958.5884
Annotation	Everolimus
Peak:m/z	Relative Intensity
67.05371	21.0
67.05779	6.0
69.03296	3.0
69.03696	0.9
69.06936	6.3
69.07360	1.7
71.04892	1.0
71.05227	0.6
73.02776	1.9
77.03800	1.1
78.04613	0.6
79.05344	22.7
79.05859	4.6
81.03273	4.6
81.06905	31.1
83.04832	2.1
83.05360	0.8
83.08466	3.6
85.02749	4.4
85.06407	1.2
85.06854	0.5
88.23769	0.5
91.03784	2.0
91.05319	33.0
91.05956	4.9
93.06882	22.6
93.07540	3.5
93.88081	0.5
95.04807	9.0
95.05452	1.2
95.08442	17.2
95.09111	2.2
97.02731	4.2
97.06362	2.2
97.10002	2.7
97.77985	0.5
99.07939	1.0
101.02239	0.7
101.25027	0.5
103.05309	1.6
105.04354	2.0
105.06855	13.9
105.07626	1.7
107.04773	4.9
107.08417	12.7
107.09224	1.5
109.02759	0.7
109.06342	5.6
109.07121	1.2
109.09980	8.3
109.10786	0.9
111.07899	1.6
115.05342	1.1
116.06093	0.6
117.06834	7.7
117.07730	0.9
119.04751	6.5
119.05729	1.1
119.08397	13.6
119.09305	1.5
121.06318	4.7
121.09958	11.0
121.10907	0.9
123.04235	4.8
123.05175	0.7
123.07890	2.8
123.11526	2.0
124.05022	2.0
125.05795	0.6
125.09436	2.0
125.10316	0.9
127.03709	1.4
128.06033	1.6
129.06810	5.1
130.07652	1.1
131.04895	2.7
131.08368	9.1
133.06299	2.9
133.09935	7.5
134.05930	0.5
135.04227	3.7
135.07845	3.8
135.11501	4.7
136.07442	0.5
137.05779	41.8
137.06937	2.8
137.09422	1.6
139.11063	0.6
141.06831	1.4
142.07600	0.7
143.08348	2.7
145.06468	3.4
145.09911	6.6
147.04410	4.8
147.07845	5.5
147.11671	5.4
149.05983	4.6
149.09612	5.1
149.13042	1.5
151.07399	0.8
151.30643	0.4
152.07005	0.8
153.06744	0.5
154.08617	7.1
155.08403	1.3
157.06468	2.5
157.10098	3.3
159.08066	3.6
159.11682	3.7
161.05984	6.3
161.09625	4.4
161.13031	1.7
163.07545	2.4
163.11127	3.3
164.07072	3.1
167.08394	0.6
169.06290	1.1
169.09909	1.4
171.07841	1.6
171.11478	1.9
173.05991	7.4
173.09387	2.1
173.13023	1.8
175.07571	5.0
175.10968	2.2
175.14685	0.7
176.06952	0.6
177.05383	0.6
177.07573	1.5
177.08987	1.2
177.12509	2.1
181.06377	0.8
181.09982	0.7
183.07802	1.5
185.05899	0.7
185.09418	1.4
185.13049	1.4
187.07555	6.2
187.10968	1.6
187.14612	0.6
189.09148	2.3
189.12663	0.6
190.08412	2.0
191.06825	1.4
191.10562	0.8
193.12106	1.0
195.07893	0.9
195.11526	0.5
197.09453	1.2
199.07324	2.2
201.09137	2.5
203.10570	1.2
209.09473	0.9
211.07480	0.9
211.10971	1.0
213.08882	1.5
213.12399	1.0
215.10640	3.0
217.12018	1.2
223.10944	0.6
223.13062	0.5
225.09030	0.6
227.10535	1.2
229.12041	1.0
232.13127	1.9
237.12500	0.6
239.10370	0.8
243.13556	0.8
245.18919	0.9
249.14687	0.8
255.17343	1.1
257.15076	1.0
273.15659	0.7
273.18497	8.1
274.18018	1.0
275.19788	0.9
283.16818	1.0
285.14636	2.2
285.17661	0.6
291.19516	5.8
299.16290	0.6
302.17465	4.8
303.15710	1.1
311.16324	2.5
313.17676	1.7
313.27399	0.6
320.18524	0.8
328.18707	2.1
329.17249	1.8
330.20593	1.0
335.25790	10.2
347.21811	1.1
358.19989	0.8
365.22943	0.8
394.21967	0.5
402.22644	1.6
408.25534	0.6
409.23807	1.0
426.26175	1.8
427.24591	0.9
444.27109	1.5
476.27234	0.6
497.30872	0.9
500.30029	1.7
518.31232	3.7
545.36517	0.5
607.43207	1.0
625.44977	0.8
654.43433	1.8
680.35223	1.0
680.45313	11.1
713.46527	0.7
760.51337	6.1
778.52441	32.4
779.52185	1.9
796.53491	93.8
797.53729	3.5
816.48779	2.3
820.53406	0.6
824.48193	0.7
838.54309	1.2
842.50500	7.7
843.51495	0.6
856.52002	0.8
874.54645	1.1
904.55969	2.2
922.56976	7.8
940.57721	19.7
958.58813	100.0
959.59637	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	958.5888
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05390	14.5
67.05792	2.9
69.03311	1.6
69.06953	5.0
69.07372	1.0
69.12879	2.0
71.04866	1.0
71.05222	0.4
73.02798	1.1
74.05981	0.3
77.03835	0.5
79.05367	15.1
79.05878	2.2
81.03284	2.8
81.06930	22.1
81.07459	2.9
81.07722	1.0
83.04855	1.5
83.08488	2.9
83.09030	0.7
85.02770	2.2
85.06455	0.5
91.03819	1.0
91.05344	12.4
91.05967	1.4
93.06907	13.2
93.07558	1.0
93.07855	0.6
95.04827	7.5
95.05499	0.7
95.08467	10.3
95.09121	1.0
97.02750	2.4
97.06396	1.4
97.10020	2.4
99.04369	0.3
99.08006	0.5
103.05360	0.6
105.04379	1.2
105.06882	8.5
105.07634	0.6
107.04803	2.5
107.08439	7.8
109.06364	3.1
109.10005	5.6
109.10806	0.3
111.04337	0.5
111.07930	1.3
112.61981	0.3
115.05293	1.0
117.06858	4.4
119.04780	1.8
119.08422	9.4
119.09329	0.6
121.06349	2.4
121.09982	6.0
123.04405	2.6
123.07906	3.0
123.11571	1.2
125.09614	2.3
127.03773	0.3
127.07476	0.3
128.06041	0.8
128.06931	0.3
129.07007	2.5
130.07611	0.3
131.04747	1.0
131.08562	5.7
133.06313	2.4
133.10126	4.1
135.04404	2.2
135.08044	2.4
135.11520	3.0
137.05971	12.0
137.09479	0.8
139.11101	0.4
141.06844	0.7
142.07719	0.4
143.08543	2.7
145.06485	1.9
145.10120	4.9
147.04381	2.3
147.08034	4.5
147.11674	2.2
149.05962	3.0
149.09610	3.5
149.13063	1.1
150.05362	0.3
151.11096	0.3
154.08636	1.6
155.08479	0.6
157.06325	1.3
157.10075	2.0
159.08073	2.2
159.11687	2.1
161.05963	4.1
161.09610	3.3
161.13193	1.4
163.07533	1.7
163.11174	2.1
163.14650	0.4
164.06929	0.5
165.05408	0.4
165.09001	0.4
165.12764	0.4
169.06374	0.4
169.09959	0.7
171.07880	1.0
171.11610	1.6
173.05945	2.7
173.09427	1.1
173.13060	1.1
175.07515	3.2
175.11023	1.1
177.08920	1.0
177.12720	0.4
183.07837	1.0
183.11530	0.6
184.08640	0.3
185.05821	0.4
185.09435	1.1
185.13100	0.7
187.07498	2.3
187.11058	0.6
187.14645	0.4
189.08939	1.9
189.10907	0.6
189.12625	0.6
191.06837	0.4
191.10378	0.4
193.12311	1.3
195.08034	0.4
195.11504	0.7
197.09419	0.8
199.07376	1.0
201.08890	1.2
203.10539	0.5
203.14284	0.5
205.12138	0.4
209.09410	0.5
211.07339	0.4
211.11005	0.5
211.13026	0.5
213.08952	0.8
213.12521	0.4
215.10535	0.7
217.12073	0.4
219.13716	0.4
223.11128	0.4
223.13098	0.9
227.10481	0.4
227.17737	0.7
229.12105	0.5
231.13612	0.5
241.12039	0.6
245.18837	1.1
249.14653	1.3
255.17311	0.9
257.15222	0.9
261.21964	0.5
267.13538	0.3
269.15228	0.3
273.18484	8.4
273.21588	0.3
275.19916	0.5
285.14844	2.6
289.14310	0.5
291.19534	8.0
302.14334	0.4
302.17477	4.0
303.15646	0.9
309.18283	0.4
320.18311	0.3
323.16449	0.3
335.25809	4.6
341.17404	0.4
347.21912	0.7
365.23132	0.3
371.79794	0.3
381.24008	0.3
409.23456	0.6
426.26367	0.4
427.24594	1.2
444.27594	1.3
474.28265	0.5
483.26907	0.4
497.31113	0.6
500.30136	0.8
518.31305	3.6
536.32159	0.5
637.41241	0.4
661.20886	0.3
680.36169	0.8
687.46338	0.4
760.51849	0.4
778.52374	2.7
779.51215	0.6
796.53479	100.0
797.53876	4.2
816.48938	0.6
838.54950	1.3
874.54688	1.5
904.56036	1.4
922.56812	4.5
940.57721	5.5
951.20081	0.4
958.58759	76.3
959.59082	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	964.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
70.37344	0.6
108.91608	0.3
114.95857	0.3
142.79272	0.4
163.03952	0.4
202.97449	0.3
376.44861	0.3
445.18713	0.5
454.16644	0.4
467.12460	0.4
467.18018	0.3
468.14120	0.6
469.14703	3.5
470.15936	1.0
471.16400	0.7
480.14374	0.6
481.14993	1.2
482.15829	3.7
483.16626	5.2
484.17654	1.1
485.18375	0.7
495.16888	2.1
496.17447	2.9
497.18207	20.9
498.18970	2.0
510.19327	1.2
511.19675	3.7
512.20605	1.0
513.18024	1.0
515.19421	0.9
528.16254	0.8
538.19800	0.6
541.17688	0.5
542.17969	1.2
555.18616	3.1
556.19495	2.6
557.20490	2.9
571.22021	0.5
573.20502	1.2
583.21490	0.4
601.22913	0.4
613.23120	0.4
616.21631	1.5
617.22571	0.7
629.22174	0.7
630.23700	0.4
643.23981	10.0
644.24774	10.0
644.35724	0.4
645.23517	1.2
657.25549	8.3
660.24408	4.1
675.26593	100.0
676.26837	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	969.5682
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.0
69.07072	3.6
69.32532	0.5
69.32947	0.3
71.08633	12.5
73.06561	0.2
75.04510	0.2
79.05499	0.5
80.77882	0.1
81.07059	5.8
83.08620	4.5
85.06561	0.2
85.10181	7.5
87.04458	0.2
89.06030	1.1
91.61204	0.1
93.07048	0.4
95.08608	8.7
97.06535	0.2
97.10178	2.7
98.98466	3.9
99.08036	0.2
99.11742	0.5
103.07580	1.0
107.08558	0.2
109.10159	4.5
111.08123	0.2
111.11732	0.7
113.13329	0.2
117.09154	0.2
121.10148	0.4
123.11710	1.4
125.13288	0.2
133.82356	0.2
135.11731	0.2
137.13258	0.7
139.14870	0.2
152.59056	0.1
153.12759	0.2
155.01038	1.7
173.02090	0.4
173.15327	0.2
187.16931	0.2
239.23694	0.9
247.05750	0.4
257.24747	2.1
275.26120	0.2
311.25766	0.3
312.26138	0.3
312.51547	0.2
313.27365	100.0
314.27698	1.3
393.24045	0.2
436.49405	0.2
449.26715	2.4
576.51843	0.2
590.63409	0.2
694.61908	0.2
964.55389	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	970.6095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07048	15.4
79.05495	58.4
81.07054	51.4
85.02908	16.8
91.05474	46.1
93.07047	58.1
95.08595	43.4
97.02921	13.6
105.07050	48.6
107.08603	31.4
109.10140	18.3
112.84553	12.4
117.07003	13.3
119.08573	32.0
121.10132	23.8
131.08597	29.4
133.10161	31.7
135.11697	25.5
145.10152	19.6
147.11737	24.2
159.11646	14.4
161.13225	16.4
163.06036	10.7
224.09514	9.5
241.19630	19.3
259.20633	60.8
308.18167	11.3
333.24069	54.7
335.25873	70.4
412.20795	12.2
519.42352	11.0
560.18842	10.7
593.45129	14.2
605.37067	11.0
611.46948	100.0
900.39117	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	971.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
71.45937	0.5
72.44448	0.4
79.05472	0.6
80.68345	0.4
89.03464	0.4
89.03911	4.6
107.04942	1.2
116.42038	0.3
117.02670	0.5
117.03387	5.0
135.04411	11.6
136.04697	0.7
145.02840	7.7
153.15005	0.4
159.80414	0.4
163.03906	49.4
164.04259	2.3
165.04414	1.8
173.00578	21.8
185.02101	44.1
203.01762	0.4
221.02969	11.0
237.00633	1.1
239.03987	1.6
245.02985	0.5
247.04501	0.9
263.04114	1.3
273.02728	0.4
298.33630	0.5
317.02579	2.0
319.04489	0.9
335.03732	100.0
336.04160	0.7
337.05655	0.7
347.03952	5.8
365.05054	3.3
383.06195	0.7
384.80966	0.5
464.24652	0.5
497.06915	66.3
498.07031	0.9
507.84030	0.5
629.24933	0.4
646.99017	0.4
788.72833	0.4
815.32880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
84.45121	0.3
94.30779	0.3
143.30412	0.3
148.73694	0.3
185.04245	1.7
203.05232	0.5
236.79413	0.3
353.72690	0.3
374.62039	0.3
387.13120	0.3
393.18817	100.0
394.19254	0.7
425.12057	0.9
440.14453	2.5
441.15210	1.2
603.20477	99.1
604.20288	1.7
941.37341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6405
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07067	0.3
69.76762	0.4
69.77114	0.5
71.07373	4.7
71.08631	1.6
71.44542	0.2
81.07047	0.6
85.10177	0.6
86.09702	43.0
93.07043	0.2
95.08618	1.1
97.10162	0.2
98.08208	0.2
98.23221	0.5
98.98477	2.4
104.10738	82.8
105.11073	0.4
109.10192	0.3
124.99998	24.5
143.00993	0.2
163.01564	1.1
181.02582	0.3
184.07333	100.0
185.07626	0.4
199.03706	0.3
201.75349	0.2
258.11035	0.9
313.27341	2.4
352.42532	0.2
419.25290	0.5
478.32889	7.8
495.18973	0.2
496.33957	89.9
497.34045	1.3
507.23947	0.2
522.35693	3.2
524.81830	0.2
530.74847	0.2
894.58484	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6415
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.2
69.10802	0.8
69.11211	0.3
71.07373	2.3
71.19188	0.1
81.07047	0.2
83.08614	0.2
86.09708	27.5
97.31321	0.2
98.98471	2.1
104.10749	4.6
125.00006	19.2
166.08075	0.1
172.28004	0.2
176.65782	0.2
184.07344	100.0
185.07686	0.3
193.25681	0.2
208.87947	0.2
211.68800	0.1
251.08278	0.2
339.29019	0.2
391.56152	0.2
438.99237	0.2
496.33951	1.9
504.34625	1.8
522.35571	27.6
523.35883	0.5
742.22150	0.2
917.44000	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	978.5552
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03450	1.3
69.07082	1.1
71.05025	0.3
71.33960	0.3
73.02937	1.5
79.05499	2.5
81.03434	0.8
81.07059	5.3
83.08640	0.7
85.02905	2.3
91.03939	2.0
91.05473	3.1
91.05895	0.3
93.07054	3.4
95.04996	0.8
95.08598	2.3
97.02929	1.7
97.46148	0.3
99.04478	0.5
101.02397	0.4
103.03983	0.4
105.04575	0.5
105.07071	1.5
107.04970	0.5
107.08000	0.4
107.08655	1.6
109.06551	0.6
109.10210	0.9
117.07065	1.0
119.08618	1.3
121.06535	0.7
121.10157	1.2
123.04421	0.6
125.09609	0.4
127.03980	0.6
129.05519	0.4
129.07048	0.4
131.08606	1.4
132.04292	1.2
133.06503	0.4
133.10190	1.0
135.04523	0.4
135.11729	0.7
137.05942	2.0
144.04268	1.0
145.04941	2.3
145.10101	0.5
147.08078	0.5
147.11751	0.6
159.11670	0.7
161.09721	0.4
168.00941	0.4
172.03699	7.9
172.05072	0.4
173.04494	11.1
174.05376	0.6
185.04295	0.7
243.08525	1.3
273.18518	0.5
301.09137	1.2
315.10544	1.7
333.20132	0.7
335.25677	1.7
343.13504	0.5
369.15143	0.5
371.16754	2.0
373.11191	1.1
387.12842	0.4
429.17395	0.4
481.20734	1.4
482.25003	2.5
503.12350	0.4
519.29315	9.1
551.28387	0.7
591.31384	2.7
605.32715	0.8
623.30164	0.4
633.36517	0.5
647.37866	0.8
687.41113	0.5
701.42657	0.9
731.43890	0.5
759.43445	2.3
760.51825	0.5
798.49353	1.4
799.47412	0.6
815.50500	0.8
816.50049	9.5
829.50720	2.5
960.53888	0.7
978.55450	100.0
979.56140	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	984.5572
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	0.1
69.07065	9.1
71.04988	0.4
71.08624	0.5
71.46819	0.1
72.08140	0.3
73.06570	0.1
79.05491	4.1
81.01673	0.1
81.07053	16.3
83.04999	0.5
83.08614	6.0
85.06525	0.5
85.10184	0.3
91.05472	2.9
91.32839	0.1
93.07040	5.3
95.04958	0.5
95.08602	13.5
96.08897	0.1
97.06530	1.2
97.10162	2.8
98.06065	0.2
98.98454	0.5
99.08069	0.5
105.04525	0.1
105.07022	2.1
107.08589	2.5
109.06532	0.3
109.10153	5.5
111.08086	0.8
111.11703	0.7
113.09646	0.2
117.07062	0.1
119.08582	2.2
121.10138	2.3
123.08041	0.4
123.11696	2.7
124.01611	0.3
125.09644	0.5
125.13210	0.1
127.07590	0.1
127.11269	0.1
131.08670	0.2
133.10123	2.2
135.11710	1.4
137.09624	0.3
137.13228	1.0
139.11217	0.2
142.02567	0.1
145.10123	0.1
147.11685	1.4
149.13258	0.7
151.11203	0.2
151.14839	0.4
153.12750	0.3
155.01041	0.1
159.98151	0.1
161.13245	1.2
163.14812	0.7
165.12762	0.2
169.76949	0.1
175.14780	0.7
177.16350	0.2
179.14285	0.1
189.16367	0.3
198.05193	0.5
208.48846	0.1
216.06291	0.7
231.33461	0.1
242.56818	0.1
245.22688	0.4
263.23727	0.8
291.86572	0.1
306.27917	2.3
337.27344	100.0
338.27704	1.9
403.94864	0.1
460.28430	0.9
478.29303	4.9
529.15668	0.1
563.18219	0.1
679.24902	0.1
704.70929	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	986.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	5.1
69.07066	10.0
70.84491	0.4
71.01350	0.9
71.04993	2.8
73.02924	2.0
73.06544	0.5
74.51225	0.3
77.03904	0.8
79.05491	21.9
81.03409	3.0
81.07055	28.7
83.04977	3.5
83.08616	7.1
85.02909	7.3
85.06535	10.0
87.04466	0.8
91.03946	1.3
91.05476	32.7
93.07042	21.1
95.04350	0.5
95.04959	7.7
95.08604	17.0
97.02887	2.6
97.06533	3.7
97.10158	3.4
98.82500	0.4
99.04453	1.5
99.08100	1.8
103.03945	1.2
103.05470	0.8
104.06236	1.6
105.04508	1.4
105.07030	15.3
106.28806	0.3
107.04939	2.1
107.08590	14.4
109.06508	6.1
109.10156	8.1
111.04430	1.4
111.08082	7.6
113.06003	0.5
115.03918	0.7
115.05434	1.0
115.07579	0.6
117.05527	0.9
117.07012	6.1
119.06052	0.5
119.08571	10.3
121.06501	1.4
121.10146	9.5
123.08064	3.4
123.11684	2.4
125.06020	0.4
125.09631	4.0
127.03909	1.4
127.07555	5.5
127.25757	0.4
128.06210	0.5
129.05429	0.7
129.06975	1.7
129.09119	1.9
130.05647	0.3
130.06851	0.4
131.07642	0.7
131.08559	8.5
133.10124	100.0
134.10518	0.4
135.08069	2.6
135.11676	4.7
137.09630	1.1
137.13252	0.5
139.07509	0.3
139.11226	0.3
141.06958	0.7
141.09114	0.7
142.07764	0.3
143.08553	1.8
145.04970	0.5
145.10126	7.7
147.08032	4.3
147.11661	5.3
147.73346	0.3
149.09613	26.6
149.13203	2.2
151.11191	0.8
153.09102	6.2
155.08527	1.0
157.10155	1.7
159.11674	5.2
161.09628	0.6
161.13269	2.4
163.11171	3.2
163.14780	0.8
169.08614	1.1
169.10176	1.1
171.10201	10.1
171.11693	1.7
173.09583	0.5
173.11938	0.4
173.13269	2.3
175.11203	0.5
175.14803	1.0
177.12775	0.9
177.16437	0.5
179.14293	0.5
181.09984	0.5
183.11632	0.9
185.13243	2.3
187.09607	0.4
187.11171	0.9
187.14842	1.0
189.11214	18.2
197.13307	1.1
199.14767	0.8
201.16403	0.5
209.13336	0.5
211.14764	0.6
213.16409	0.7
215.14421	0.4
219.14014	0.4
219.17429	1.4
223.13251	2.5
227.12753	2.0
229.14291	0.7
229.19507	0.8
239.17886	1.3
241.19388	0.5
243.21115	0.8
247.20622	0.8
257.19064	2.9
259.20599	0.7
261.22104	2.8
267.15836	0.9
275.20056	13.7
275.47626	0.4
291.19559	0.5
293.21121	3.2
303.19577	0.6
316.76334	0.4
317.24893	1.0
319.18942	0.6
331.22617	1.6
333.16800	0.7
333.24274	1.1
335.25797	37.1
336.26102	0.5
337.20035	8.5
349.23715	10.6
351.18085	0.9
351.25302	0.5
367.24841	5.0
426.26254	0.4
467.28140	0.5
485.28922	16.4
486.29288	0.5
489.35928	0.8
505.34799	0.7
529.38788	1.3
540.78217	0.4
545.38519	0.7
555.40771	0.7
569.41864	2.4
591.43890	0.5
609.45099	24.0
610.45068	0.7
627.46204	18.3
771.50360	0.6
986.57794	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	989.5451
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03441	3.3
71.46762	0.7
73.02937	2.2
79.05495	1.7
80.96024	0.6
81.03435	1.5
81.07063	5.5
83.08654	0.7
85.02911	4.3
91.03979	1.7
91.05481	1.1
93.07079	1.8
95.08610	1.2
97.02930	2.5
99.04472	1.2
101.02388	1.4
105.07030	1.2
107.08620	0.8
109.06535	1.5
119.08575	0.6
121.10191	0.9
127.03975	0.9
135.11742	1.1
136.69429	0.6
149.98204	0.7
157.49667	0.7
185.04329	1.0
194.21298	0.6
194.61461	0.5
221.89798	0.7
229.95599	0.6
243.08601	1.6
254.21962	0.6
259.23035	0.6
331.19028	2.2
347.09720	2.1
363.33197	0.6
387.21890	0.8
405.13773	6.0
519.29358	4.3
549.26703	5.3
566.69513	0.6
655.71936	0.7
681.34521	3.2
711.32019	4.6
804.07025	0.8
827.50269	1.1
989.54413	100.0
990.55157	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	989.5449
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	1.8
69.07066	0.5
71.01370	0.4
73.02919	2.4
79.05510	1.6
81.03455	0.9
81.07054	2.5
85.02908	3.0
91.03954	2.5
91.05488	0.8
93.03223	0.3
93.07053	1.4
93.43752	0.3
95.04996	0.5
95.08620	1.6
97.02898	3.9
98.23444	0.6
99.04476	0.6
99.83537	0.3
101.02372	1.4
105.07037	0.7
107.08678	0.5
109.02914	0.8
109.06556	0.7
109.10216	0.5
117.07057	0.6
119.08612	0.6
121.10206	0.9
123.11743	0.4
124.99547	0.3
127.03963	0.7
128.02357	0.3
131.08571	0.5
131.49698	0.3
133.10242	0.5
135.11810	0.3
149.13376	0.4
154.36685	0.4
181.12318	0.4
185.04317	0.6
203.05373	0.5
243.08516	1.4
259.07806	0.4
291.19809	0.3
331.18777	2.2
335.25867	0.6
347.09442	1.5
363.09158	0.4
365.10779	1.0
387.21411	0.8
405.13727	4.5
463.28735	0.3
519.29260	5.3
543.60602	0.3
549.26678	3.4
615.52631	0.3
681.34546	5.5
681.45361	0.4
711.31689	1.5
827.49567	0.9
881.70227	0.4
923.90930	0.3
989.54462	100.0
990.54785	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	989.6569
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07056	0.5
69.07421	0.1
71.07376	2.2
71.46619	0.2
79.43541	0.1
81.07069	0.3
83.08614	0.2
86.09707	28.4
87.10028	0.1
95.08612	0.3
97.10153	0.2
98.98465	2.1
104.10750	3.9
125.00006	18.3
143.01163	0.1
146.98181	0.7
184.07343	100.0
185.07664	0.4
314.04230	0.1
322.73495	0.1
339.29013	0.4
368.76495	0.1
485.26266	0.5
491.16150	0.1
496.33923	0.8
504.34518	1.8
522.35565	26.0
523.35907	0.5
544.33844	1.1
680.87030	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	991.5599
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03355	2.4
69.07002	0.5
72.91226	0.4
73.02839	3.0
79.05403	1.8
81.03333	1.1
81.06976	2.3
83.04904	0.5
85.02905	4.5
91.03958	2.1
91.05391	1.2
93.07049	2.2
95.08598	1.9
97.02889	4.5
99.04372	0.8
101.02290	1.3
105.06958	0.9
107.08521	0.9
109.02812	0.5
109.10085	1.0
117.06933	0.5
119.08489	1.0
121.10036	1.0
123.11591	0.5
127.03806	1.2
131.08447	0.6
133.10059	0.7
135.11635	0.7
149.09666	0.5
185.04193	0.6
185.68222	0.4
203.05258	0.8
243.08382	2.3
273.11057	0.5
327.27545	0.4
333.20401	1.7
335.25964	0.7
347.09506	2.6
359.18466	0.5
365.10712	0.8
405.13702	6.4
507.27222	52.7
508.27466	0.5
519.29303	6.8
551.28387	3.1
596.53497	0.4
681.34644	8.1
713.33655	2.2
829.50854	1.0
845.68884	0.4
991.56012	100.0
992.56616	2.5
1004.65350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.5606
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.7
69.07060	0.6
69.71586	0.4
73.02931	2.1
79.05513	1.7
81.03439	1.2
81.07066	2.5
84.72014	0.4
85.02895	2.8
91.03962	2.0
91.05514	1.3
93.07068	1.7
95.08626	1.3
97.02893	3.4
99.04474	0.7
101.02400	1.5
105.07047	1.0
107.08622	0.9
109.02940	0.9
119.08618	0.6
121.10152	0.5
125.67515	0.4
127.03963	0.9
131.08626	0.4
145.10165	0.5
185.04253	1.2
203.05328	0.6
243.08571	1.2
333.20520	1.4
347.09689	2.0
365.10590	0.5
405.13599	4.3
442.59229	0.4
519.29254	4.5
551.28320	3.7
681.34479	4.6
713.33118	2.5
829.50439	1.2
991.55994	100.0
992.55621	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.6076
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06712	0.5
69.07071	7.7
69.07447	0.4
70.56558	0.2
71.04974	0.2
71.08630	0.6
73.06542	0.2
79.05495	3.6
81.07058	14.6
83.04978	0.4
83.08619	4.7
85.06523	0.5
85.10169	0.3
91.05482	2.4
93.07052	4.0
94.23634	0.2
95.04950	0.4
95.08607	11.6
97.06525	1.1
97.10162	2.3
98.98444	0.4
99.08090	0.3
105.07031	2.2
107.08601	2.5
109.10160	4.6
111.08076	0.4
111.11729	0.5
119.08572	1.7
121.10143	1.9
121.19200	0.2
123.11729	2.0
124.01589	0.3
125.09637	0.3
133.10149	2.0
135.11708	1.2
137.09669	0.3
137.13240	1.2
139.11171	0.3
147.11703	1.0
149.13307	0.5
150.64119	0.2
161.13278	1.1
163.14871	0.4
175.14816	0.8
195.85657	0.2
198.05310	0.5
216.06311	0.7
245.22664	0.2
255.35689	0.2
263.23737	0.6
272.36484	0.2
306.27908	2.2
337.27362	100.0
338.27686	1.5
460.28116	0.5
478.29221	5.5
652.27570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5937
Annotation	Unknow
Peak:m/z	Relative Intensity
68.89087	0.1
69.11048	0.9
70.06570	0.1
71.07373	2.4
72.08154	0.1
79.05476	0.3
80.97472	0.1
81.07053	0.4
81.14854	0.1
83.08644	0.2
86.09705	28.0
87.10051	0.1
91.05507	0.1
93.07030	0.4
95.08591	0.3
96.74088	0.1
98.98461	2.3
104.10098	0.2
104.10742	3.6
109.10120	0.1
110.21262	0.1
125.00002	19.8
143.01068	0.2
184.07338	100.0
185.07730	0.3
248.59685	0.1
258.11102	0.2
305.12677	0.1
481.23145	0.2
500.31320	1.9
518.32434	26.5
519.32898	0.4
540.30615	0.3
559.38513	0.2
562.34790	0.1
789.20685	0.2
927.18701	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	993.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
69.74660	1.7
70.06572	0.5
70.93555	0.4
71.07371	5.7
72.08146	0.5
79.05484	1.2
81.07046	1.9
85.22211	0.4
86.09706	50.2
91.05469	1.2
93.07021	2.1
95.08595	1.5
98.98472	3.5
104.10741	96.0
105.11060	1.8
107.08625	0.5
109.10129	0.5
121.10154	0.6
125.00002	27.8
130.87029	0.4
143.14568	0.4
146.98195	1.0
163.01575	0.8
177.84978	0.4
184.07339	96.7
198.76782	0.5
234.03786	0.5
234.13644	0.5
258.10995	0.9
335.25824	0.6
454.18314	0.5
481.23111	0.8
482.23630	1.0
483.23877	0.5
500.31290	8.3
518.32422	100.0
519.32892	2.2
540.30298	1.6
541.30975	2.4
541.38849	0.4
542.31525	1.1
590.62872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6388
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07068	10.7
70.92615	0.6
71.08635	1.8
73.43230	0.3
79.05501	2.5
81.07059	7.9
83.04958	0.6
83.08624	8.2
85.06535	0.4
85.10181	1.5
91.05487	0.4
93.07042	4.5
95.08607	9.7
95.09212	0.6
97.06564	1.8
97.09581	0.3
97.10173	6.5
98.23353	0.3
107.08610	3.1
108.20800	0.3
109.10155	4.3
111.08094	1.2
111.11707	1.9
121.10150	4.3
123.11712	1.2
124.01521	0.4
125.09602	0.9
129.18443	0.3
135.11688	3.8
137.13223	0.4
139.11166	0.5
149.13254	1.8
151.14812	0.5
153.12726	0.8
160.64684	0.3
163.14774	0.8
167.14302	0.4
198.05229	0.4
216.06349	0.8
247.24245	1.1
265.25299	1.0
308.29480	2.5
339.28931	100.0
340.29269	0.9
462.29626	0.9
480.30856	4.4
795.63800	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6245
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07070	1.0
71.07382	3.7
79.05482	0.7
81.07043	2.3
86.09708	39.9
93.07076	0.9
95.08598	1.5
98.98454	3.1
104.10745	86.5
107.08604	0.6
125.00004	23.5
135.75661	0.5
146.59444	0.5
163.01451	0.6
174.63748	0.6
184.07346	90.5
195.48232	0.5
258.10992	0.8
443.25626	0.6
502.32825	6.9
520.33997	100.0
521.34656	0.9
542.32465	0.8
946.08240	0.6
997.51929	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6252
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07061	0.1
69.07452	0.1
69.14252	0.3
70.06591	0.1
71.07368	2.4
76.04696	0.1
81.07062	0.3
83.08612	0.1
86.09702	26.3
93.07027	0.1
95.08576	0.2
98.98453	2.3
98.99090	0.1
104.10739	2.6
109.10174	0.1
123.11767	0.1
124.99996	17.8
143.01070	0.2
146.98167	0.1
153.78979	0.1
163.01491	0.1
184.07332	100.0
185.07668	0.3
258.11047	0.2
337.27310	0.2
502.32883	1.9
520.33960	23.8
521.34155	0.4
542.32227	0.1
862.08209	0.1
997.52026	0.1
1015.71039	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	999.6603
Annotation	Unknow
Peak:m/z	Relative Intensity
71.95214	0.4
72.96052	0.9
74.97597	0.4
79.05439	0.3
81.07064	0.8
82.73150	0.1
83.08578	0.2
84.96025	0.8
85.94881	0.1
92.98617	0.3
93.06947	0.2
95.08604	1.0
97.71172	0.1
97.99145	0.3
105.00124	0.3
105.06969	0.2
109.10100	0.4
110.97508	0.2
115.00639	0.3
117.73811	0.1
119.01672	0.6
119.08566	0.2
123.01118	0.2
123.11658	0.2
137.02733	2.0
149.02794	0.2
151.04219	0.5
155.03795	1.8
159.04811	0.1
163.04291	0.5
165.02148	0.5
166.02977	0.3
167.03764	0.4
169.01668	0.2
169.05382	0.7
173.02702	0.3
173.04869	0.3
177.02191	0.2
177.05807	0.7
179.00043	0.1
179.03757	0.3
181.01697	0.8
181.05305	0.9
183.03296	0.9
183.06885	0.3
187.02725	0.4
191.03799	0.4
191.07397	0.4
193.05286	0.3
195.03282	0.4
195.06877	1.0
196.04066	0.2
197.01250	0.3
197.04829	0.4
198.15593	0.1
199.02765	4.5
199.06369	0.2
201.04285	1.0
201.05875	0.3
203.07387	0.2
205.05327	0.3
207.03284	0.2
207.06918	0.2
209.04840	0.3
209.08447	0.6
211.02797	0.2
211.06299	0.3
213.04268	0.8
213.07854	0.2
214.05034	0.5
215.07401	0.5
217.03806	2.2
217.05592	0.3
217.09023	0.4
219.05165	0.2
219.07011	1.1
221.08430	0.4
222.04346	0.4
223.06421	0.3
223.10036	0.4
225.04414	0.7
227.05756	0.8
227.09241	0.2
227.11180	0.3
229.05376	0.2
229.09006	1.1
231.04961	0.3
231.07156	1.1
231.10506	1.4
232.06088	0.2
233.04807	0.3
233.08496	0.7
235.06320	0.2
235.09955	0.6
237.07983	0.3
237.11545	0.3
239.05783	0.3
239.51654	0.1
240.06813	0.3
241.07155	0.3
241.09225	0.3
243.05334	0.5
243.10600	0.9
245.04700	0.4
245.08882	0.9
245.12115	1.8
247.06325	0.2
247.10066	1.7
247.13823	0.2
249.08044	0.5
249.11635	1.6
251.05830	0.4
251.09459	0.2
251.13210	0.5
253.07407	1.6
254.04585	0.3
255.10547	0.4
257.12155	0.9
258.07858	0.4
259.06223	0.3
259.10083	0.5
259.13623	0.8
261.08014	0.6
261.11603	1.1
263.05826	0.3
263.09515	1.1
263.13174	1.5
265.07224	0.2
265.11142	0.3
265.14743	0.4
267.09006	0.5
271.08401	1.8
271.13461	0.2
272.13373	0.2
273.08072	0.3
273.11627	0.4
275.05991	0.2
275.09576	0.6
275.13132	0.6
277.07697	0.2
277.11136	0.7
277.14719	0.6
279.08932	0.2
279.12549	0.3
281.10565	0.2
285.10135	0.4
285.15158	0.2
287.09433	0.2
289.10989	0.3
291.12595	0.5
293.10608	0.4
295.12024	0.4
295.17072	0.7
297.15579	0.3
297.18906	1.2
299.16806	0.3
304.13412	0.5
305.06934	0.5
309.15057	0.2
311.16730	0.4
313.13181	0.5
313.18347	1.3
315.16330	0.2
315.19885	3.0
321.13760	0.2
322.14462	0.5
323.07919	0.2
329.17929	0.3
331.15735	0.2
331.19397	0.4
333.21014	1.9
341.10776	0.5
341.17816	12.9
342.18027	0.2
345.17340	0.2
347.18832	0.3
356.22382	0.2
357.17511	0.3
359.18906	52.7
360.19403	0.7
377.19986	30.6
378.20334	0.5
382.20508	6.3
383.20731	0.3
395.21045	11.0
399.22031	0.2
400.21701	2.6
401.16354	0.3
413.16306	0.4
413.21680	0.2
416.21072	0.2
418.22708	0.7
421.23941	0.3
423.23050	0.3
465.23102	1.0
477.22943	0.3
483.24185	0.5
491.24731	0.3
495.23764	0.3
509.25568	0.4
519.27972	0.7
527.26660	0.2
533.29437	0.2
537.29089	0.4
579.33893	0.2
599.40765	0.3
643.29919	0.2
643.40344	3.2
661.41278	11.6
662.41852	0.3
679.42395	100.0
680.42767	2.4
684.42761	0.3
697.43488	1.7
702.43927	1.1
720.45044	9.0
721.44763	0.4
737.46222	0.2
754.45630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1003.471
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95429	0.5
78.95899	1.2
101.08373	0.6
103.39786	0.5
131.68579	0.5
137.25168	0.5
141.25272	0.6
152.99594	1.9
179.03522	0.5
185.89200	0.6
210.20688	0.7
228.20058	0.6
245.04373	1.9
250.15538	0.6
253.21727	0.9
255.23300	1.3
301.21762	10.8
319.22778	12.1
361.23846	38.5
438.13324	1.1
481.15164	10.2
481.25568	3.3
482.15939	1.0
482.26212	1.2
483.27338	1.7
495.16898	4.4
497.18216	1.5
539.15741	0.6
540.16431	10.5
554.18195	1.7
555.18951	13.5
572.15338	6.8
586.17224	2.2
627.21490	0.7
641.22498	16.1
943.45111	0.7
1003.47125	100.0
1004.47125	4.5
1009.95447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.42020	0.4
73.49926	0.3
75.72495	0.4
78.95910	5.7
148.14680	0.4
152.99568	0.8
154.02722	2.3
167.62054	0.4
210.05357	1.0
228.06456	2.5
229.68835	0.4
261.22455	0.5
279.23291	100.0
280.23602	1.2
305.19968	0.5
310.46036	0.4
401.36655	0.4
490.29407	50.3
491.29581	1.1
516.98218	0.4
870.34454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0245
Annotation	2-Methyl-3-oxopropanoate
Peak:m/z	Relative Intensity
52.14049	2.2
55.01877	65.0
57.03453	18.1
58.00602	4.1
59.01377	60.9
60.01725	2.3
69.95695	5.8
69.96038	4.7
71.01376	11.0
73.02946	100.0
83.01375	13.6
99.92575	6.6
100.93366	15.5
101.02447	47.8
102.05618	7.7
102.65479	2.3
115.92073	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	101.0245
Annotation	Succinate semialdehyde
Peak:m/z	Relative Intensity
55.01876	25.1
57.03446	52.7
58.00586	3.0
58.03773	2.6
59.01376	41.2
65.09695	2.9
67.36714	2.0
69.00725	2.1
69.73491	5.2
69.73883	4.1
71.01373	7.2
72.99309	4.1
73.02942	66.7
77.76178	2.4
78.69188	2.8
83.01380	11.2
85.02946	2.2
100.94616	24.5
101.02444	100.0
101.06118	3.9
102.02773	3.5
102.05605	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	1011.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
70.03329	1.0
74.85323	0.3
78.95901	11.3
93.24670	0.3
96.96952	0.8
141.73424	0.3
145.43343	0.3
152.99582	17.8
171.00639	1.6
174.97560	0.4
227.03291	2.1
245.04326	1.5
259.20706	0.6
275.20187	0.7
277.21716	93.5
278.21826	0.7
459.39313	0.4
464.55496	0.4
505.25726	100.0
506.26172	1.1
787.20917	0.4
788.75671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
75.70663	0.8
87.89410	0.8
103.31297	0.8
120.99657	4.1
125.02437	0.9
151.00363	1.3
180.63890	0.9
215.53358	0.8
227.03409	1.1
242.02174	1.8
243.02966	13.8
257.04568	4.4
270.01688	3.7
271.02515	14.1
285.04068	8.3
286.04822	3.3
299.02106	5.7
300.02744	2.8
314.04340	35.7
315.04971	7.2
357.05951	1.4
477.10388	100.0
478.10898	4.6
862.81073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	16.3
71.43298	8.5
85.83630	11.6
89.02441	13.8
95.68974	10.5
113.02425	16.2
135.27849	11.8
171.10310	13.4
179.05624	11.1
189.37967	14.1
209.11873	34.8
277.21664	54.6
307.19022	56.2
325.20282	51.3
397.13409	49.3
444.56223	11.7
487.88876	13.1
533.38037	12.3
573.01740	12.0
687.32111	19.2
705.33209	25.9
880.92212	13.3
965.54419	61.6
983.56622	32.9
1019.53314	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	1019.5711
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95901	8.7
93.27918	0.3
96.96957	0.6
98.21796	0.7
152.99590	15.0
171.00623	1.1
177.88217	0.3
227.03224	2.6
233.22699	0.6
245.04289	2.0
246.41080	0.3
259.20712	0.6
275.20096	0.9
277.21713	87.3
278.22067	1.0
364.86801	0.3
505.25732	100.0
506.25882	1.0
875.96637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1022.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04123	0.9
72.99295	4.5
79.77728	0.9
87.00881	10.8
87.03635	0.8
96.96028	1.4
103.00353	2.5
107.04982	1.1
109.02955	2.0
112.98820	8.9
133.02959	2.6
134.03761	3.5
135.04526	68.3
137.02393	1.9
139.00375	2.1
149.00919	100.0
161.02458	5.7
163.04007	3.4
177.05565	0.9
177.91591	1.0
179.03496	79.9
180.03955	1.0
191.03354	2.2
197.05040	0.9
219.02974	11.4
231.03078	1.4
239.66768	0.9
254.08298	0.9
262.24203	0.9
293.03043	29.1
294.03149	1.4
296.35245	0.9
311.04083	95.0
321.28302	1.0
462.10559	2.0
473.07318	10.6
504.20325	1.1
524.00323	1.1
528.37695	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1024.5889
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.4
73.33830	0.3
73.59979	0.3
78.95901	11.8
93.83491	0.3
96.96954	0.5
130.74777	0.3
145.41101	0.3
152.99588	15.0
171.00580	1.6
206.78352	0.3
227.03271	2.3
233.22736	0.7
245.04408	1.6
259.20584	0.7
264.23282	0.3
275.20117	0.6
277.21713	98.8
278.22055	0.9
279.23175	1.3
392.53879	0.3
457.40048	0.3
504.30417	0.4
505.25726	100.0
506.26068	1.2
514.26111	0.3
573.45587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0402
Annotation	3R-hydroxy-butanoic acid
Peak:m/z	Relative Intensity
54.90611	0.3
57.03445	3.3
59.01378	100.0
60.01717	1.9
60.65406	0.3
69.70899	0.3
70.71503	0.5
72.00911	0.9
73.02952	1.3
74.02472	3.2
78.72572	0.3
85.02969	0.4
90.54383	0.3
103.01492	0.4
103.04012	13.2
103.92032	5.3
104.03576	0.7
104.04311	0.4
117.04633	0.3
122.35105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.6638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.61135	0.8
78.95911	13.4
80.00478	0.9
82.51090	0.8
93.00555	0.8
104.78034	0.9
108.73108	0.9
127.96847	0.9
133.46339	0.9
152.99585	2.4
156.01015	1.0
168.04234	1.8
215.32649	1.0
224.06920	7.4
242.08009	1.1
243.15587	1.0
255.23296	73.9
256.23615	1.1
345.77783	1.0
480.30972	100.0
481.31409	1.5
501.31436	0.9
537.26270	2.3
537.33093	43.3
792.75018	1.1
928.28430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1041.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
77.03994	0.4
79.01881	0.5
97.02946	0.4
107.01424	0.9
109.02991	1.4
121.02991	1.5
125.02489	0.9
132.02248	0.5
133.02951	11.2
134.03766	1.9
135.00867	0.7
135.04549	1.4
137.02426	0.5
147.04544	0.8
149.02487	1.0
151.00378	0.5
152.19443	0.4
154.89937	0.4
155.43089	0.3
161.02451	2.1
163.00380	3.4
163.04044	1.2
165.01915	1.8
173.02448	0.6
175.00449	0.7
175.04036	2.7
177.01935	1.3
189.01796	0.4
191.03522	1.5
193.01497	1.0
199.04044	1.6
201.01971	1.4
203.03540	0.9
211.04012	0.6
213.05516	0.9
217.05049	0.6
225.05470	2.0
227.03513	1.2
227.07077	0.4
229.01430	0.6
229.04996	0.5
235.04207	0.4
240.04404	0.5
241.04962	1.4
243.02971	0.5
249.01717	0.4
251.03470	0.4
253.05083	1.5
255.03061	1.4
255.06528	0.7
256.03665	0.6
257.04568	0.5
265.05203	0.5
267.06476	0.6
269.04492	3.2
270.05328	1.0
279.02924	0.4
281.04584	1.2
282.05255	0.8
284.03256	8.1
285.04053	17.7
297.04034	27.1
298.04813	46.6
299.05566	12.8
309.04071	12.6
309.06876	0.2
311.05588	6.7
323.05600	0.7
324.02692	1.7
325.03479	3.1
325.06894	0.6
326.04352	2.2
327.05087	63.8
330.03757	2.3
337.03445	1.1
337.07169	0.5
338.04178	1.9
339.05057	9.3
341.06479	2.1
351.05164	1.3
353.02838	0.4
355.04361	0.4
357.06152	49.8
369.06125	3.9
371.07706	0.7
381.05988	1.1
387.07071	0.7
393.06268	0.9
399.07190	1.4
411.07303	1.1
429.08203	7.2
447.09314	100.0
448.09604	1.1
473.10870	11.6
593.15094	65.9
594.15448	1.0
698.00415	0.4
903.34692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0194
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
59.01380	17.7
65.68473	0.5
70.42961	0.5
72.25998	0.5
72.99311	42.6
73.99678	0.8
74.02464	0.8
74.04076	0.6
75.00872	45.8
75.02788	0.9
87.92526	0.7
88.64812	0.6
103.00394	0.9
105.01937	100.0
106.02298	3.1
121.12346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99306	4.0
75.00844	0.4
75.22186	0.3
80.79854	0.4
84.99306	0.4
87.00877	13.8
98.21863	0.7
99.30390	0.4
103.00374	2.5
103.00946	0.5
105.01936	1.5
107.05022	1.3
109.02936	2.5
112.98814	8.6
117.03405	0.6
125.02415	0.9
127.00359	0.5
130.99872	2.1
133.02954	2.3
134.03760	4.3
135.04524	75.3
136.04854	0.8
137.02460	1.6
139.00381	1.6
145.02966	0.5
147.04504	0.4
149.00912	100.0
150.01219	0.7
151.03996	0.6
159.04489	0.5
161.02432	6.2
163.03979	4.0
173.02463	0.6
175.04021	0.9
177.05563	0.7
179.03490	79.8
180.03865	1.7
187.04045	0.8
191.03484	2.5
205.05075	0.5
205.58531	0.4
212.97241	0.4
219.02968	10.1
231.02994	1.7
274.70258	0.4
275.01791	0.4
293.03030	24.8
293.81461	0.4
294.03339	0.8
295.03690	0.4
311.04077	82.9
312.04465	1.5
324.27481	0.4
473.07285	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	1051.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	5.5
79.46150	0.3
84.99295	0.3
87.00874	15.7
90.86719	0.2
91.05534	0.4
103.00375	3.4
105.01942	0.7
107.05046	1.2
109.02960	3.1
109.81556	0.3
111.00851	0.6
112.98805	9.2
116.75537	0.3
117.03477	0.8
123.04511	0.4
125.02440	1.4
127.00388	0.7
130.99864	1.3
133.02957	3.8
134.03751	5.4
135.04521	86.5
136.04825	1.4
137.02434	1.5
139.00366	2.0
145.02913	0.4
147.04584	0.5
149.00912	100.0
150.01254	0.6
151.03966	0.6
159.04533	0.5
161.02440	6.9
163.03986	4.2
173.02470	0.5
175.03993	0.7
177.01909	0.5
177.05573	1.1
179.03487	82.4
180.03833	0.8
185.05042	0.2
187.04025	0.7
191.03502	3.3
196.28236	0.3
203.03610	0.3
205.05040	0.7
219.02974	10.7
220.03329	0.5
231.02946	1.5
267.05072	0.4
275.01923	0.6
283.30579	0.3
287.05350	0.3
289.07233	0.4
293.03027	26.0
294.03421	1.4
295.03424	0.4
311.04071	78.5
312.04477	1.3
341.06467	0.4
407.07797	0.5
425.08713	0.5
473.07233	4.8
577.13910	0.4
1067.72266	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	3.0
79.01128	0.4
83.71719	0.5
84.99331	1.4
87.00339	0.6
87.00877	11.8
93.03452	1.6
95.01414	0.8
96.99342	0.9
98.21843	0.8
103.00395	2.4
107.05033	1.2
109.02954	7.3
111.00903	2.7
112.98811	34.2
117.03472	3.3
119.05028	54.3
120.45482	0.4
121.02948	2.0
123.04533	0.7
125.02441	0.6
127.00391	1.9
129.03445	1.6
130.99846	3.4
131.05031	0.8
133.02948	8.9
134.03769	4.6
135.04526	78.8
136.04846	0.5
137.02454	3.8
139.00388	6.4
143.05019	1.7
145.02957	15.4
146.03699	0.6
147.04523	11.3
149.00916	6.9
149.02280	1.1
149.06053	1.2
151.04048	1.4
154.99789	0.8
159.04471	2.3
161.02443	19.7
161.06081	3.0
163.04007	100.0
171.04486	1.5
173.02443	1.5
175.03998	9.5
177.02000	0.8
177.05608	2.8
179.03491	53.8
187.03979	2.1
191.03508	8.8
203.03493	30.4
204.03865	0.6
205.05005	2.4
215.03510	6.3
219.02975	35.1
221.04562	0.9
231.02985	5.0
231.68204	0.5
233.04567	1.7
237.76038	0.5
249.04018	1.0
259.02496	1.6
259.08011	0.5
265.21136	0.5
275.01990	1.7
277.03525	51.9
278.03833	2.0
283.60663	0.5
285.04053	1.9
293.03033	60.7
294.03427	0.5
295.04572	97.1
297.04041	2.6
298.04791	11.7
299.05615	1.2
309.03958	4.1
311.04086	3.2
326.04181	0.9
327.05151	4.8
330.03757	0.8
338.04419	0.9
339.04999	1.4
357.06146	2.7
357.38864	0.4
390.87717	0.5
391.15198	0.6
429.08243	1.0
457.07724	3.3
473.10733	4.2
593.15094	20.7
633.18768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1051.3654
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99320	0.5
73.02941	1.5
82.79020	0.3
85.02950	2.0
86.07935	0.2
87.00885	0.4
89.02428	1.5
101.02437	1.5
103.04029	0.6
109.02936	0.4
112.98818	0.4
113.02427	0.3
117.03455	2.3
119.03465	0.2
119.05015	1.6
125.02480	0.8
131.01401	0.8
133.02931	0.4
135.04533	1.6
137.02425	0.3
145.02986	0.9
147.04491	1.0
149.00945	1.3
149.02521	0.2
151.00363	0.2
153.09224	0.3
161.02425	1.3
161.06116	0.3
163.00443	0.2
163.04068	0.7
173.02454	1.0
175.00369	3.4
175.04050	0.6
179.03503	1.7
183.04616	0.3
189.05649	0.3
189.12857	0.3
193.06738	0.2
203.03532	2.1
215.03491	0.3
219.03027	0.4
237.05592	0.3
243.02939	0.3
253.05180	0.4
254.05861	0.5
255.03023	0.5
265.05109	0.2
268.03781	0.3
269.04562	3.2
269.07141	0.4
271.02502	1.2
277.03537	2.6
281.04541	3.3
282.05341	6.5
282.08459	0.3
283.06104	4.1
285.21176	0.2
289.07132	0.5
293.04572	48.9
294.04953	0.5
295.06073	2.2
297.04211	0.2
300.02740	2.1
301.03540	0.7
307.06207	0.5
308.03287	0.2
309.04022	0.9
310.04865	0.7
311.05728	6.5
314.04358	1.9
320.87274	0.2
321.03925	0.3
322.04730	0.4
323.05621	5.6
335.05508	1.7
337.03445	0.3
337.07187	0.2
339.04922	0.3
341.02768	0.4
341.06628	4.7
353.06693	2.2
355.08228	0.6
365.06702	0.4
391.04602	0.3
407.07635	0.4
413.08783	10.7
429.21136	1.2
457.11325	3.3
565.32666	0.2
577.15601	100.0
578.15759	1.9
579.16565	0.3
609.14490	3.7
1034.56042	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1076.6318
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	6.6
82.67873	0.2
87.60412	0.2
89.04935	0.2
96.96959	0.3
98.21797	0.4
152.99576	3.5
168.04321	1.4
224.06883	1.0
229.65968	0.2
233.22714	0.5
242.07999	2.5
259.20761	0.3
275.20023	0.4
277.21710	82.5
278.22012	0.6
289.31964	0.2
320.40408	0.2
351.88928	0.2
431.21991	0.8
439.42746	0.2
500.24182	0.5
502.29385	100.0
503.29593	0.8
559.31500	35.7
834.25220	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1079.6756
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95910	5.2
87.24367	1.2
108.15411	1.5
123.01469	1.4
148.52959	1.5
152.99586	3.9
224.06934	1.3
242.07935	2.8
260.10641	1.4
279.23288	4.5
281.24854	100.0
282.25171	2.7
338.15820	1.4
462.16159	1.3
506.32523	99.1
507.32928	2.9
508.32678	1.9
515.44189	1.4
563.25842	2.2
563.34656	32.9
604.65900	1.7
795.12280	1.5
950.25201	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.6633
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95909	6.9
150.96938	0.3
152.99614	3.1
168.04295	1.2
174.65303	0.3
192.05942	0.3
224.06918	0.8
224.39177	0.4
242.07899	2.8
279.23282	98.3
280.23523	0.8
392.03107	0.3
433.23807	0.4
502.25882	0.6
504.30972	100.0
505.31192	0.8
561.33069	41.8
681.07233	0.4
941.31049	0.4
988.44751	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1080.6632
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	10.2
120.10091	0.3
142.12730	0.3
152.99591	3.1
168.04300	1.7
224.06924	4.4
242.08012	1.7
279.23294	64.7
280.23572	0.4
467.82986	0.4
502.25635	1.0
504.30972	100.0
505.31656	0.7
561.33081	32.1
688.65826	0.3
760.18835	0.4
916.48242	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1093.6471
Annotation	Unknow
Peak:m/z	Relative Intensity
76.93073	0.1
78.95902	7.7
83.05051	0.1
93.44893	0.1
96.96964	0.1
97.06657	0.1
122.98546	0.1
127.07641	0.2
132.09496	0.1
152.99582	1.7
153.11174	0.1
168.02892	0.1
168.04300	2.0
171.00635	0.2
198.74716	0.1
224.06892	1.4
233.22729	0.6
242.07986	3.3
259.20633	0.5
275.20129	0.6
276.55316	0.1
277.21710	100.0
278.22006	0.7
502.29382	95.4
503.29749	0.8
517.25812	0.7
576.33038	4.6
624.84326	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	1096.6912
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95911	4.1
98.21812	1.4
123.94132	0.5
152.99600	1.4
161.61967	0.5
168.04327	1.4
224.06882	1.0
242.07971	1.6
279.23297	4.0
281.24860	100.0
356.88300	0.6
501.23199	0.5
506.32529	76.4
521.28522	1.0
580.36255	4.8
815.88763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.6782
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	5.4
80.33218	0.2
80.96513	1.0
87.68960	0.2
88.32245	0.2
88.94101	0.2
89.54400	0.2
94.98083	0.3
98.08303	0.2
105.42352	0.2
143.91444	0.2
152.99606	1.2
164.98634	0.2
168.04312	1.5
171.00647	0.2
173.21977	0.2
215.80948	0.2
224.06895	1.1
225.00732	0.3
242.08003	2.3
250.90727	0.2
261.22302	0.2
279.23282	100.0
280.23648	0.7
378.63327	0.2
504.30960	90.7
505.31326	0.7
519.27490	0.8
577.27081	2.0
578.26947	1.2
578.34674	5.1
723.55090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1098.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
84.99313	1.1
87.00874	21.1
88.68330	0.7
89.28237	0.7
103.00367	3.7
105.01977	1.6
107.05049	0.8
109.02971	5.0
112.98813	39.1
121.02943	3.1
123.04546	1.5
129.67278	0.6
130.99852	2.2
133.02954	3.1
134.03738	2.2
135.04524	55.9
136.04897	0.9
137.02423	1.1
139.00378	1.9
145.02824	0.7
147.04480	1.6
149.00912	100.0
156.27052	0.7
159.04556	1.3
161.02422	7.0
162.05595	4.4
163.03986	3.7
164.07111	1.1
168.57208	0.7
175.04059	0.9
176.07156	1.1
177.05595	1.1
179.03485	48.6
191.03513	2.4
199.47635	0.6
213.05583	1.0
217.62726	0.7
219.02951	9.3
231.02988	1.4
241.05057	1.9
242.05840	14.5
243.06589	1.9
255.06638	2.8
256.07281	1.2
257.08182	2.4
268.09744	1.1
269.08041	0.8
284.09311	2.2
286.10843	32.5
293.03033	19.4
311.04068	47.0
312.05017	1.0
312.08759	8.7
328.12082	1.2
330.09808	20.2
360.20584	0.7
372.10776	4.5
444.09250	4.2
462.10373	53.9
473.07166	5.2
478.67175	0.7
492.12881	4.9
624.13422	7.2
934.93469	0.8
941.37677	0.7
1138.97876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1103.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
86.53656	0.9
89.02447	1.4
89.03989	0.9
93.03456	1.0
101.02444	2.6
113.02457	2.2
117.03471	48.1
119.05036	25.8
119.55239	0.9
133.06601	1.6
145.02957	100.0
153.67642	0.9
161.06108	1.2
163.02701	1.6
163.04019	23.6
175.07640	1.1
187.04012	1.8
197.15805	1.1
205.05069	2.0
265.07199	1.6
289.06961	1.7
322.79532	0.9
409.11041	0.9
631.18903	1.6
777.22424	2.5
795.23315	10.0
889.54572	1.0
941.27234	90.4
1103.32983	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	1103.4634
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95908	11.2
88.18486	0.4
98.22689	0.9
104.63242	0.4
110.98534	5.4
122.93545	0.4
139.20720	0.4
152.99596	0.6
167.01152	1.9
185.02190	4.9
233.22801	0.6
259.20609	0.5
275.20181	0.6
277.21725	100.0
361.91815	0.4
394.44070	0.4
445.23596	32.0
482.91501	0.4
555.93359	0.5
599.21570	0.7
657.23242	0.5
820.80145	0.5
825.23273	1.2
935.44696	3.4
1024.60925	0.5
1103.46387	47.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1104.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
76.77750	0.2
78.95898	2.6
96.65501	0.2
119.95921	0.2
152.99532	0.3
165.14687	0.2
169.90654	0.2
268.89706	0.3
279.23306	4.3
335.71725	0.2
405.26968	0.3
437.12408	0.4
438.13272	0.7
451.14078	0.8
452.14957	3.0
465.11398	0.3
465.16428	0.3
466.16156	0.6
475.14398	0.4
476.27957	1.7
478.13068	0.5
479.17194	0.8
480.14084	2.0
481.14966	6.3
493.15372	1.7
494.16205	1.2
495.16779	12.0
496.17188	0.4
498.15439	0.7
507.16916	0.9
508.18213	2.0
509.18652	0.6
512.13538	0.5
521.14172	0.5
522.15509	0.4
523.19653	0.7
526.14783	0.3
533.18524	0.6
535.16071	2.1
536.16943	2.3
540.16504	2.8
551.19379	33.1
552.19708	0.6
553.17352	0.5
554.18182	2.3
555.18842	0.8
567.19080	0.6
568.16193	0.4
572.15442	2.1
583.22070	0.5
586.17059	2.0
595.18201	1.9
627.20978	100.0
628.21436	1.9
785.47778	0.3
1104.49451	3.9
1107.74316	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01881	3.5
56.98009	3.2
66.03510	1.5
67.01890	56.1
68.02233	3.2
68.99812	1.6
71.03853	1.7
78.95905	37.4
80.39661	1.2
83.01402	7.4
85.00446	4.9
85.02942	3.6
111.00883	100.0
111.01975	12.8
111.04531	2.7
112.00436	3.1
112.01266	4.5
112.04045	12.0
125.26023	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.0089
Annotation	2-Furoate
Peak:m/z	Relative Intensity
54.39363	1.6
63.44531	1.5
67.01890	74.5
68.02213	2.3
70.42757	3.1
78.95908	50.5
83.01377	7.7
86.84488	1.5
98.22617	2.0
111.00878	100.0
111.02044	2.7
112.01221	5.6
117.36687	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	112.9881
Annotation	3,4-Dihydroxy-3-cyclobutene-1,2-dione
Peak:m/z	Relative Intensity
50.70347	7.2
52.27217	7.0
57.03437	24.3
60.03561	7.5
61.40857	8.5
62.55039	8.4
67.77647	7.7
69.03452	26.8
70.04443	16.2
70.04772	10.7
72.25578	7.3
84.02084	8.7
84.99308	78.2
85.02952	54.3
98.21886	8.7
112.98823	100.0
113.02442	14.6
114.05608	9.7
132.20313	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	1123.7297
Annotation	Unknow
Peak:m/z	Relative Intensity
79.07854	1.4
81.03456	2.0
83.05016	5.0
85.02915	2.4
89.02451	4.2
95.05064	2.4
97.06585	2.0
98.01154	1.4
101.02427	6.4
113.02453	3.4
119.03501	1.9
121.02905	1.9
123.04472	2.0
125.09708	6.2
127.07664	2.2
135.08124	2.6
140.56416	1.7
153.09244	11.7
161.04517	3.8
163.11266	4.8
165.12740	2.9
171.10262	18.4
178.09972	4.2
179.05495	2.0
185.11827	6.6
191.10707	2.5
197.11809	10.8
201.11353	8.7
207.10228	3.1
209.11833	74.0
235.08224	2.4
238.12204	2.3
241.28401	1.6
245.19096	5.1
253.09248	12.0
277.21741	100.0
278.22073	2.1
289.18115	27.0
297.20587	3.2
301.21732	51.9
302.22040	2.0
307.19153	82.3
325.20169	29.5
513.30762	3.4
525.27020	7.5
543.27979	27.2
561.29114	3.3
734.42670	7.5
785.48004	2.0
803.49542	67.5
821.50372	21.4
873.58929	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	1125.5033
Annotation	Unknow
Peak:m/z	Relative Intensity
77.66868	0.1
78.61845	0.1
78.95900	23.4
81.38510	0.2
85.99773	0.1
87.44509	0.1
96.96961	1.5
150.97975	0.5
152.99582	28.8
153.99937	0.7
155.00027	0.3
171.00629	4.5
190.45604	0.2
227.03236	2.9
237.22281	0.3
245.04289	15.4
246.04634	1.8
247.04758	0.7
253.21695	6.4
254.22072	1.6
255.23279	100.0
256.23569	0.3
481.25745	13.8
482.26035	6.7
483.27228	62.6
484.28253	0.2
614.98090	0.2
795.23444	0.4
897.45728	0.5
1124.51685	0.5
1125.50183	22.8
1126.49500	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0246
Annotation	19322-27-1
Peak:m/z	Relative Intensity
55.01881	11.1
57.03449	31.8
67.01880	2.8
68.99574	18.1
69.03455	5.1
70.02979	2.6
70.64077	2.0
71.01389	3.6
72.99281	1.2
75.60404	1.1
79.29797	1.1
79.69620	1.2
83.01393	4.9
84.02169	16.4
85.02953	100.0
86.03299	3.4
95.01383	4.5
95.02512	2.6
96.00919	2.2
104.85583	1.2
112.89674	2.5
112.98803	1.2
113.02444	16.8
113.03575	8.7
114.01956	1.4
114.05601	4.0
122.38863	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01883	8.1
57.03451	28.4
60.42704	3.6
67.01895	4.0
68.99567	42.1
69.03456	38.5
69.20816	18.8
71.01380	6.0
72.00910	12.8
74.51502	3.1
78.43579	3.0
78.44834	3.2
80.43684	3.0
83.01396	7.8
84.02164	17.6
85.02956	100.0
88.66964	3.1
89.46043	3.1
91.41472	3.8
91.93007	3.7
112.98776	4.5
113.02435	21.1
113.03619	5.2
113.06088	98.9
114.01965	13.0
114.05592	11.0
114.06379	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	113.0609
Annotation	2,3-HEXANEDIONE
Peak:m/z	Relative Intensity
55.01870	8.3
57.03453	28.9
58.02973	6.0
59.01380	4.7
61.95526	3.4
67.01888	6.4
68.99569	71.9
69.03459	61.1
71.01365	6.0
72.00903	18.3
84.02159	12.7
85.02953	100.0
86.03318	3.6
97.95869	3.9
112.98750	4.9
113.02454	26.9
113.06105	44.7
114.01982	18.6
114.05599	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	1133.4738
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95903	6.2
96.96004	0.3
96.96992	0.3
98.21877	0.3
114.04350	0.1
117.10641	0.1
119.53992	0.1
140.64417	0.2
152.99586	5.8
171.00655	0.3
227.03284	0.6
245.04280	0.5
252.93401	0.1
259.20685	0.2
275.20065	0.2
277.21716	27.3
278.21735	0.2
346.77539	0.2
437.12506	0.6
438.13290	0.7
451.14127	0.5
452.14929	2.4
465.15768	0.5
466.16501	0.5
470.15842	0.2
478.12579	0.2
479.17413	0.5
480.14053	1.3
481.15021	6.1
493.15192	1.8
494.15710	0.8
495.16776	12.3
496.17029	0.4
498.15408	0.6
505.25735	21.7
507.16174	1.3
508.18036	2.1
509.18155	0.6
512.12549	0.3
518.16364	0.2
521.14343	0.8
522.15442	0.4
523.19373	0.8
526.15112	0.4
530.15039	0.2
533.18469	0.7
535.16315	1.9
536.17120	2.7
539.15332	0.3
540.16644	3.0
551.19373	36.4
552.19489	0.6
553.17163	0.5
554.18213	2.6
555.18701	0.7
567.18738	0.6
568.15613	0.4
572.15369	2.4
583.21893	0.7
586.17126	2.9
595.18225	1.6
600.19543	0.2
627.20966	100.0
628.21277	1.7
661.19171	0.2
885.82874	0.2
1133.47412	15.6
1134.47778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1134.293
Annotation	Unknow
Peak:m/z	Relative Intensity
82.51857	0.4
83.96033	0.4
87.00877	12.2
88.31625	0.4
96.34199	0.4
96.99297	0.6
103.00379	3.1
105.01944	1.6
106.04285	0.5
107.05012	1.4
109.02962	3.5
111.00916	0.7
112.98813	9.7
127.00388	0.5
130.99846	1.4
131.23297	0.4
133.02946	3.9
134.03757	5.0
135.04529	76.2
136.04840	0.5
137.02470	2.0
138.34027	0.5
139.00401	2.8
147.04543	0.9
149.00917	100.0
159.04553	0.6
161.02440	7.5
163.03999	6.6
173.02368	0.9
175.04121	0.4
177.05620	1.5
179.03496	88.6
187.03995	0.9
191.03510	3.7
199.07002	0.4
205.05196	0.5
213.62199	0.4
219.02986	13.5
220.03357	0.4
221.04590	0.6
231.02997	2.1
275.02045	1.0
293.03046	28.1
294.03568	0.5
311.04083	87.8
312.04312	0.5
324.81302	0.5
473.07169	8.0
758.79797	0.4
1053.89453	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7126
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03458	2.4
83.01388	4.7
83.05021	6.9
85.02956	1.5
85.88124	0.2
87.00861	0.2
89.02438	1.5
95.01362	0.5
97.02952	0.3
98.21784	0.4
99.00910	0.3
101.02444	12.0
108.04579	0.2
113.01703	0.3
113.02449	5.0
115.22448	0.2
119.03505	1.4
125.02427	0.5
125.07221	0.4
131.03500	1.6
143.03485	1.3
143.08220	0.3
145.30734	0.2
149.04555	2.9
155.03487	0.6
161.04565	5.2
163.65866	0.2
203.05603	0.8
207.14978	0.5
221.06644	1.9
224.17734	1.3
225.16074	9.5
242.18732	0.5
251.06442	0.2
254.47055	0.2
309.21808	0.6
324.26547	0.2
333.22977	0.4
341.29300	0.4
367.27084	1.4
385.28268	0.2
433.31726	1.2
450.34570	1.1
451.32892	7.7
451.96762	0.2
550.43451	0.9
559.39648	0.4
565.44452	0.3
577.40497	0.2
593.43939	1.0
634.10010	0.2
659.48749	3.0
677.49677	100.0
678.50171	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0038
Annotation	Formylpyruvate
Peak:m/z	Relative Intensity
50.69804	2.9
53.19009	1.9
59.01376	4.5
69.48925	5.4
69.49317	4.2
71.01382	100.0
71.05042	3.9
72.01724	3.8
73.04080	2.6
87.00864	2.9
90.77689	2.2
114.62303	2.2
114.93414	5.9
115.00361	12.3
115.04005	5.0
115.92059	2.7
116.02557	3.8
116.07180	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0037
Annotation	Fumarate
Peak:m/z	Relative Intensity
54.05465	2.2
54.19553	2.1
55.34582	2.3
70.03546	7.1
71.01381	100.0
72.01704	3.1
79.60448	2.9
96.38836	2.2
115.00352	15.3
116.07177	83.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1150.6288
Annotation	Unknow
Peak:m/z	Relative Intensity
81.57322	0.1
91.97116	0.1
97.06561	0.1
109.91582	0.1
122.00153	0.2
127.07629	0.3
140.01187	2.3
152.99606	0.8
171.00644	0.1
182.13081	0.2
182.79445	0.1
196.03813	1.1
205.19553	0.2
214.04852	3.7
233.22778	0.5
259.20529	0.6
275.20169	0.5
277.21716	100.0
278.22110	0.5
292.33533	0.1
314.47787	0.1
458.04968	0.1
468.85773	0.1
474.26230	68.0
474.96979	0.1
475.26590	0.5
502.35153	0.1
1103.18799	0.2
1105.79553	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	1150.6293
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96957	4.6
111.99411	0.2
113.69984	0.2
122.00149	0.2
122.98537	0.2
129.03671	0.2
140.01181	1.5
150.98030	0.3
152.99590	14.9
171.00642	14.3
196.03873	0.5
214.04829	2.0
233.22856	0.3
259.20602	0.3
265.60568	0.2
277.21716	46.7
278.22055	0.3
310.77283	0.2
320.66583	0.2
379.57895	0.2
400.22528	2.4
474.26233	100.0
475.26532	0.6
1069.14685	0.2
1124.54688	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0718
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
54.18580	0.5
59.01374	1.6
69.51241	1.7
72.01715	0.5
73.02946	100.0
83.30807	0.5
97.08992	0.6
98.22629	1.0
99.00883	8.2
99.92587	10.3
115.92072	1.1
116.02573	1.1
116.07180	61.0
116.92861	30.2
117.01943	18.7
117.07508	2.6
121.23849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18580	0.5
59.01374	1.6
69.51241	1.7
72.01715	0.5
73.02946	100.0
83.30807	0.5
97.08992	0.6
98.22629	1.0
99.00883	8.2
99.92587	10.3
115.92072	1.1
116.02573	1.1
116.07180	61.0
116.92861	30.2
117.01943	18.7
117.07508	2.6
121.23849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Succinic acid
Peak:m/z	Relative Intensity
55.01870	0.5
56.85550	0.4
69.47598	0.8
69.47969	0.8
73.02948	100.0
74.03269	2.5
76.72452	0.3
99.00885	7.9
99.92588	0.8
116.92867	2.4
117.01947	14.9
118.02273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77282	0.3
55.01873	0.7
55.98787	0.3
66.27560	0.3
73.02945	100.0
74.03272	2.5
86.14417	0.3
99.00881	8.6
99.92587	1.3
102.04530	0.3
108.65787	0.3
116.92870	5.5
117.01943	16.6
118.02324	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1183.6394
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05015	0.3
96.96976	0.6
97.06590	0.1
127.07674	0.2
150.98001	0.1
152.99585	13.5
171.00627	1.2
189.00978	0.1
205.19531	0.1
227.03252	2.1
232.32835	0.1
233.22705	0.5
245.04338	1.7
259.20673	0.5
275.20169	0.6
277.21710	87.8
278.22058	0.6
329.42938	0.1
505.25714	100.0
506.25937	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.035
Annotation	3,4-Dihydroxybutanoic acid
Peak:m/z	Relative Intensity
50.44129	1.7
53.99788	1.6
55.01865	5.8
58.00574	2.4
59.01377	100.0
61.72466	1.6
64.15988	1.7
69.32037	9.8
71.01381	71.6
71.01781	3.5
72.00883	1.7
72.01731	2.4
72.99322	4.6
73.02942	24.5
74.02463	2.4
74.03285	2.2
75.02962	2.4
75.03349	16.2
80.32758	1.7
83.01373	3.4
89.02417	4.5
96.93933	2.0
101.02412	3.0
119.02444	8.9
119.03481	11.6
119.04990	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01376	5.2
69.57597	3.2
71.01372	2.3
82.97199	0.9
90.52208	0.9
91.03033	1.4
91.05553	1.5
93.03458	2.7
101.03974	13.8
101.92418	3.6
117.03470	6.1
118.92632	7.8
118.93414	1.9
118.96549	1.1
119.02519	9.8
119.03339	7.9
119.05030	100.0
120.02884	1.3
120.05368	5.7
129.59721	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0504
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01369	2.0
61.98822	0.5
70.67052	0.6
71.01376	1.2
91.05530	0.9
93.03459	2.1
101.03979	1.1
101.92404	1.0
101.93047	0.7
117.03477	0.8
118.92657	2.6
118.96538	0.8
119.02619	3.7
119.05029	100.0
120.04536	0.9
120.05342	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	119.0503
Annotation	4-Hydroxystyrene
Peak:m/z	Relative Intensity
59.01369	2.0
69.55055	1.7
71.01361	1.2
71.25009	0.4
91.02989	0.7
91.05528	0.7
93.03452	2.2
101.92385	0.8
117.03434	0.8
118.92670	1.5
119.02630	4.5
119.05023	100.0
120.02029	0.6
120.05371	6.8
130.87593	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0296
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
59.96442	0.2
69.52641	0.9
80.50136	0.2
82.79611	0.3
83.25977	0.3
91.01897	0.6
92.02697	2.1
93.02976	0.3
93.03481	1.8
95.01387	0.4
108.02192	1.5
114.05360	0.2
120.02208	1.3
121.02954	100.0
122.02502	0.5
122.03295	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	122.0249
Annotation	Nitrobenzene
Peak:m/z	Relative Intensity
61.98827	7.6
66.03487	17.4
67.03012	12.3
68.01401	3.4
69.55558	6.0
78.03496	6.0
80.05054	6.0
88.38322	2.0
93.03522	1.8
94.02987	84.9
95.01394	32.6
97.21831	1.9
107.67646	2.2
122.02473	100.0
122.03307	23.7
122.06120	4.4
123.00905	21.1
123.04603	11.5
123.05643	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	125.0358
Annotation	1-Methyl-1H-imidazole-2-carboxylic acid
Peak:m/z	Relative Intensity
53.40412	2.2
56.63863	2.1
63.35134	2.3
65.69096	2.5
69.03458	21.6
69.56348	2.5
69.79640	8.2
76.55846	2.3
81.03479	5.2
82.02988	5.8
95.03331	7.6
96.99311	5.1
97.02962	13.6
98.02473	2.9
124.89188	2.6
124.98834	3.4
125.02458	45.8
125.03573	100.0
125.04353	6.6
125.87341	4.3
126.01941	12.5
126.02804	3.6
126.03835	4.6
143.16766	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	125.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29512	11.3
60.26542	12.7
61.55695	15.1
61.84439	13.0
62.41244	13.0
63.18873	12.6
67.03839	21.4
67.89903	15.6
69.03459	43.0
69.08759	66.7
69.09163	32.4
72.72980	12.8
81.67158	13.2
82.02995	25.0
87.32588	14.1
91.87869	13.5
95.03306	30.6
97.02972	22.5
98.22626	23.3
125.02447	100.0
125.03551	35.0
125.04413	26.0
125.06112	62.2
125.87289	17.5
126.01980	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0973
Annotation	1,5Z-Octadien-3R-ol
Peak:m/z	Relative Intensity
50.05354	4.0
56.79126	4.6
57.01524	4.8
57.03450	32.0
69.03458	9.0
69.99766	7.3
70.00090	6.3
81.03470	8.5
95.03333	6.3
95.05034	16.0
97.02976	5.8
97.06582	87.7
98.22533	6.6
101.02536	4.8
107.13931	4.6
107.34572	4.4
120.90661	4.8
123.08166	59.1
125.02454	35.3
125.03438	8.6
125.04390	7.0
125.09724	100.0
126.01968	11.5
126.10047	8.0
136.69060	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	125.0973
Annotation	2-Isopropylcyclopentanone
Peak:m/z	Relative Intensity
55.01865	16.3
60.99411	5.4
69.03468	18.6
70.17147	8.7
71.05022	76.5
78.68729	5.9
83.05042	16.6
88.10077	5.7
90.08772	5.4
96.99359	5.8
97.02956	13.8
97.06612	7.4
122.13066	6.2
123.08151	17.1
125.02439	39.5
125.03466	12.7
125.09727	100.0
125.87298	6.5
126.02000	20.4
126.10059	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	127.0766
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
55.01864	4.9
59.01373	34.1
65.60438	5.8
69.45684	21.6
71.01375	8.4
85.02974	7.7
86.02435	7.7
92.77966	4.9
126.90509	75.0
127.00423	9.2
127.06787	9.4
127.07661	100.0
127.46281	6.4
128.03534	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75963	5.3
54.54916	4.7
57.03438	4.5
59.01389	43.2
70.38194	5.0
70.65392	8.2
71.01385	11.9
79.81808	6.0
82.99915	4.9
83.05048	8.1
85.02975	10.9
86.02486	7.4
98.22511	4.8
99.00879	9.9
103.77026	4.7
126.90489	100.0
127.00397	17.1
127.03992	7.7
127.07635	26.0
128.03554	45.1
128.07187	6.1
131.55736	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	129.0195
Annotation	Mesaconic acid
Peak:m/z	Relative Intensity
50.31685	0.8
70.76890	1.7
83.32483	0.8
85.02952	100.0
86.03298	2.7
93.36441	0.9
114.96960	0.8
118.12364	0.8
119.78087	0.9
129.01959	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31594	1.6
57.03460	1.7
67.01898	3.4
71.06287	1.5
71.06615	1.5
85.02953	100.0
86.03304	3.5
88.10478	1.4
89.20826	1.6
91.18523	1.5
94.76509	1.5
100.17506	1.5
115.47424	1.7
129.01956	6.8
133.07680	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10852	1.1
50.80291	1.0
54.80995	1.1
55.09572	0.9
59.68659	1.0
66.96406	1.2
69.78963	1.2
70.96777	1.3
79.19462	1.1
80.19120	1.0
85.02951	100.0
86.03283	3.1
97.32954	1.0
115.19417	1.2
129.01987	5.4
131.23228	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88722	0.6
67.98889	0.7
73.02940	0.7
77.61289	0.6
77.63313	0.6
83.40947	0.6
84.08179	1.4
86.03279	1.1
102.62230	0.6
103.09868	0.6
104.93820	0.6
114.02016	0.7
130.08740	100.0
131.09067	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	131.0465
Annotation	L-Asparagine
Peak:m/z	Relative Intensity
50.97300	1.7
53.83712	1.6
58.02977	7.2
70.02978	53.0
70.79601	1.6
71.01378	17.4
71.02499	14.7
72.00911	25.9
79.27971	1.8
85.56586	1.9
87.05640	2.1
88.04041	82.1
91.49713	1.7
95.02512	28.0
96.00934	2.3
110.51817	1.7
111.02015	4.3
113.03574	70.6
114.01971	100.0
115.00373	24.9
115.02322	3.9
130.88919	29.5
131.04628	18.6
132.03036	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97300	1.7
53.83712	1.6
58.02977	7.2
70.02978	53.0
70.79601	1.6
71.01378	17.4
71.02499	14.7
72.00911	25.9
79.27971	1.8
85.56586	1.9
87.05640	2.1
88.04041	82.1
91.49713	1.7
95.02512	28.0
96.00934	2.3
110.51817	1.7
111.02015	4.3
113.03574	70.6
114.01971	100.0
115.00373	24.9
115.02322	3.9
130.88919	29.5
131.04628	18.6
132.03036	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88965	0.9
57.85944	1.0
68.99812	1.3
69.03458	10.8
69.14893	5.6
73.02946	4.6
85.02940	1.4
85.06590	100.0
86.06914	3.0
87.04516	12.1
88.07054	1.0
92.80854	0.9
98.22592	2.4
113.06079	2.2
116.48627	1.0
122.89107	1.0
131.03520	2.6
131.07144	52.8
132.07480	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	131.0715
Annotation	Leucinic acid
Peak:m/z	Relative Intensity
60.60215	1.0
68.99806	1.6
69.03460	9.5
69.59932	4.6
73.02940	4.3
85.02953	2.4
85.06590	100.0
86.06929	3.8
87.04522	13.6
93.48194	1.1
98.21894	1.5
113.06026	1.2
129.05510	1.1
131.03517	3.5
131.07146	56.7
132.07506	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	131.0715
Annotation	Ethyl (R)-3-hydroxybutanoate
Peak:m/z	Relative Intensity
53.37228	1.5
53.96144	1.6
57.03436	3.0
59.01380	4.6
61.98820	3.7
68.99818	5.1
69.03457	12.6
69.39724	4.1
69.40139	2.8
71.01385	4.5
72.00888	1.7
73.02948	32.0
74.64147	1.6
85.02952	13.3
85.06589	100.0
86.06925	3.3
87.04517	98.7
88.04026	1.9
88.04848	2.7
98.22602	2.6
101.02437	1.9
112.18978	1.4
113.02448	7.7
113.03673	2.4
113.06084	3.0
114.01984	5.2
129.05595	1.9
131.03511	21.6
131.07144	56.4
131.08136	3.4
132.03033	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	132.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.3
59.70707	0.3
60.83530	0.3
61.83060	0.2
70.79790	0.4
71.01383	67.4
72.00919	1.2
72.99310	14.2
87.00880	1.4
88.04041	25.2
89.02447	7.5
89.03562	0.4
89.04390	0.8
93.51832	0.3
98.38480	0.3
103.82833	0.3
110.04051	0.3
114.01971	1.1
115.00375	100.0
132.03033	6.7
133.01434	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
68.68768	0.9
70.02965	2.0
70.50698	1.2
71.01380	66.7
71.03322	1.4
72.00906	1.9
72.99310	13.4
77.34203	0.9
88.04040	80.9
89.02445	4.7
89.04370	1.7
95.76523	0.8
106.96987	1.0
114.01978	3.8
114.03916	1.3
115.00372	100.0
131.89040	1.3
132.03030	20.6
132.88602	2.6
133.01428	20.1
135.60506	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0143
Annotation	Malic acid
Peak:m/z	Relative Intensity
56.05711	0.8
59.01355	0.8
70.65320	0.8
71.01381	69.4
71.18735	1.2
72.01740	1.3
72.98936	1.4
72.99311	15.0
74.58924	0.8
77.03966	3.7
87.00891	1.5
89.02443	8.8
95.05026	4.9
105.03467	11.9
112.83473	0.8
115.00375	100.0
116.00708	3.5
123.04523	1.5
132.02144	2.3
132.86786	5.4
132.90048	1.5
133.01425	23.8
133.02962	17.9
134.04753	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	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
70.89355	1.1
71.01382	71.9
72.01714	2.0
72.99307	17.1
87.00845	1.0
89.02454	7.5
90.40135	1.0
96.03500	0.8
107.03619	1.3
115.00377	100.0
116.00713	4.0
132.90044	2.4
133.01434	27.0
134.04724	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
52.89852	0.7
59.01373	2.2
65.37487	0.7
68.98024	0.8
70.39383	0.7
70.39722	1.8
71.01383	67.1
72.01725	2.1
72.99307	16.1
74.06542	0.8
87.00865	1.5
89.02450	7.5
105.19235	0.7
107.03650	1.1
109.65024	0.9
115.00376	100.0
116.00763	3.8
132.86795	7.9
132.88583	1.8
133.01439	26.4
133.05092	0.9
134.04726	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0144
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64627	1.1
59.01376	1.0
71.01382	66.7
71.05405	1.4
71.84753	1.1
72.99310	16.1
86.22430	1.2
87.00840	2.0
89.02445	8.2
115.00374	100.0
116.00726	4.0
133.01436	23.5
134.04750	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	133.0144
Annotation	Malic acid
Peak:m/z	Relative Intensity
59.01397	1.4
70.97187	1.8
71.01380	71.1
72.01724	1.7
72.99314	12.6
85.99542	0.9
87.00860	1.2
89.02441	7.8
92.02522	1.5
97.93066	1.2
107.03654	4.0
110.61253	1.0
115.00375	100.0
116.00714	3.0
125.09047	1.0
132.86792	58.0
132.90028	21.6
133.01433	24.6
133.03001	1.1
133.04083	1.5
134.04732	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
53.34429	0.4
65.01441	0.6
92.02544	6.0
107.03636	31.1
108.03969	0.9
116.00779	0.4
120.62212	0.4
124.43583	0.4
134.04729	100.0
134.86552	3.7
134.89493	4.9
135.05171	3.2
151.05826	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
60.96602	0.2
65.01440	0.8
68.02544	0.4
68.77768	0.2
69.32209	0.6
69.32611	0.8
80.02539	0.3
92.02547	6.8
98.22564	0.5
107.03638	26.1
108.03988	1.0
134.04730	100.0
134.86624	0.3
135.03210	0.5
135.04349	1.1
135.05069	2.8
144.54121	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0474
Annotation	Adenine
Peak:m/z	Relative Intensity
65.01444	1.0
65.86642	0.5
67.50795	0.4
68.02539	0.7
69.53164	0.4
69.70289	0.6
69.70650	1.6
91.03004	0.6
92.02547	7.6
93.03470	1.0
98.21839	1.0
99.92584	4.6
106.04276	1.0
107.03638	28.2
107.05032	3.3
107.85509	0.5
113.58302	0.5
134.02563	1.9
134.04738	100.0
134.86565	25.2
134.89481	81.9
135.04449	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	134.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53621	0.1
65.01442	0.8
68.02520	0.4
70.04109	0.2
70.04443	0.2
71.90110	0.2
80.02544	0.3
84.33334	0.1
87.92924	0.1
92.02546	6.4
93.02871	0.2
99.92584	0.3
107.03637	28.1
108.03334	0.2
108.03971	0.9
116.00742	0.2
123.90841	0.1
134.04730	100.0
134.86502	0.4
134.89470	4.8
135.04213	0.2
135.05167	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	135.0452
Annotation	2-Methylbenzoic acid
Peak:m/z	Relative Intensity
54.15681	0.7
69.35089	3.8
77.05378	0.7
78.43860	0.8
89.03983	1.0
98.21952	1.7
106.04294	0.9
107.05033	3.4
117.03469	1.4
127.14281	0.8
134.03751	12.4
135.04527	100.0
136.04857	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	135.0454
Annotation	3'-Hydroxyacetophenone
Peak:m/z	Relative Intensity
69.27495	2.2
70.63982	0.4
85.71976	0.6
87.10775	0.4
91.05539	1.1
92.02680	10.3
93.03458	28.8
94.03798	0.9
95.01360	2.3
98.22622	0.8
99.92581	5.6
103.93286	0.5
107.05011	0.8
108.02176	13.5
120.02179	7.5
132.49236	0.5
134.86586	10.8
134.89478	82.1
135.04524	100.0
135.86426	0.5
135.89481	5.4
136.01663	7.7
136.04858	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	136.0167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24619	1.9
61.76238	2.3
67.85671	2.0
74.78456	1.9
92.02680	16.5
92.05052	2.4
93.03464	9.7
94.03811	4.4
95.01398	7.6
99.92599	5.5
108.02187	69.2
109.02481	3.9
109.68661	1.7
126.09292	2.2
135.89491	38.7
136.01675	100.0
136.03961	3.1
136.04866	22.6
136.86324	4.4
136.89197	55.4
137.02492	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.06662	0.2
62.07841	0.2
65.03950	0.6
69.80853	0.3
70.37068	0.6
71.04518	0.3
77.31242	0.3
80.92690	0.3
81.03458	3.1
82.16983	0.2
91.01896	0.8
92.02646	0.3
92.64095	0.3
93.03468	1.6
97.81683	0.3
108.02179	3.6
109.02964	3.5
119.01408	0.9
136.01666	8.0
137.02441	100.0
138.02786	5.9
142.49586	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	3,4-Dihydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.81283	0.3
51.68503	0.3
65.03954	0.5
67.38639	0.3
69.71542	0.6
69.71904	0.7
79.06419	0.3
81.03463	3.6
86.05591	0.3
90.21368	0.3
91.01897	0.8
92.02679	0.4
93.03461	11.7
94.03748	0.4
98.21948	0.6
100.67600	0.3
108.02171	5.4
109.02978	3.7
119.01421	1.1
136.01668	8.9
137.02446	100.0
138.02783	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	137.0358
Annotation	5-Aminonicotinic acid
Peak:m/z	Relative Intensity
59.01377	1.5
61.98837	1.5
65.03970	1.1
66.03472	5.6
70.82141	1.0
74.99113	2.1
78.95892	2.7
81.03448	1.5
93.03466	43.6
93.04580	100.0
93.79923	1.0
94.02982	37.3
94.04343	1.1
94.04942	3.1
95.02510	1.3
95.03328	1.2
108.02174	11.1
108.04539	2.6
109.02966	5.9
109.80244	1.0
119.02509	2.2
120.04591	1.2
123.03234	1.2
131.73175	0.9
136.01675	1.8
136.86288	7.1
137.02451	36.8
137.03572	51.2
137.07143	1.0
138.01965	16.8
138.02907	2.0
138.03870	1.8
138.05621	4.3
138.06613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0198
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
52.25079	0.5
57.25787	0.5
65.99840	0.9
66.03482	0.6
68.01408	0.8
70.96756	0.8
71.24109	0.5
72.68801	0.6
85.98921	0.5
89.97867	0.5
94.02963	0.7
94.03782	1.0
95.01427	0.7
99.92593	1.3
108.02173	52.9
109.02497	2.0
111.00875	1.1
111.69981	0.5
136.00476	0.6
137.89183	4.9
138.01967	100.0
138.86053	1.4
139.02304	3.7
139.03998	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0562
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
52.13380	2.8
55.01878	3.3
57.38857	2.5
58.51384	2.7
66.49224	2.4
71.07942	2.9
83.01358	2.9
93.03470	2.9
94.03010	3.6
94.03797	8.4
96.04577	3.1
96.75438	3.0
99.92559	5.8
108.02176	34.9
109.02489	3.1
110.02551	3.6
111.00853	4.2
112.65186	2.6
116.40527	2.7
123.03271	78.8
124.03576	5.6
124.07610	2.8
137.89183	29.9
138.01967	87.1
138.02792	5.6
138.05602	100.0
138.85989	5.7
139.02335	5.3
139.06021	4.3
152.95071	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	19.8
58.66962	2.3
59.01379	14.4
65.64964	2.5
68.99799	3.6
70.49081	4.9
71.01384	40.6
80.99818	6.8
82.00903	2.2
83.01380	3.3
87.00861	5.7
90.58350	2.5
96.99335	19.8
98.21828	2.5
99.04529	3.7
112.73559	2.7
112.98808	25.1
115.00368	8.9
124.98809	51.4
140.98286	11.6
142.99867	100.0
143.03487	3.0
144.00282	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	142.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	14.9
59.01377	35.1
67.01889	30.4
69.03457	24.9
70.56538	7.2
71.01380	98.3
71.05022	6.6
72.99306	16.0
73.02947	16.1
81.03467	7.1
81.95431	4.8
83.01377	15.1
83.51939	5.6
85.02951	57.1
87.00883	36.6
95.01390	5.6
96.99309	11.7
97.02956	17.0
99.04533	34.5
101.02445	7.4
102.05657	4.8
111.00885	100.0
112.98806	22.3
113.02447	4.7
115.04014	11.2
124.98789	35.4
125.02428	11.0
140.98340	8.7
142.99873	71.5
143.02493	6.4
143.03465	29.5
144.06659	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	143.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	3.2
59.01373	5.0
67.01890	39.5
68.02217	2.4
69.03456	2.8
69.60056	2.7
69.60400	6.1
71.01374	13.0
71.04981	1.6
73.02937	3.3
77.00048	1.9
81.03455	2.5
85.02945	7.3
87.00873	5.2
97.02962	2.5
99.04514	25.5
100.04870	1.8
103.39473	1.6
111.00883	100.0
112.01243	2.5
112.98764	2.1
115.03991	6.4
124.98810	2.8
142.99847	9.1
143.03510	5.4
155.10599	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	143.0714
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
50.05928	1.6
51.39953	1.6
56.97141	1.9
59.01382	2.7
67.26193	1.9
69.40076	6.5
69.40482	3.3
70.74731	1.9
71.01374	3.3
72.99309	57.4
85.02941	2.4
89.01469	2.5
96.52932	1.5
97.06586	51.6
99.04523	14.7
99.08198	1.9
104.55591	1.8
115.04011	5.9
116.02568	2.8
125.06087	100.0
126.06449	5.0
143.02524	3.5
143.03552	10.1
143.07135	31.5
143.10779	5.4
144.04579	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	144.0456
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.03115	0.7
52.42590	0.7
59.01379	1.4
59.20232	0.7
60.01741	0.8
61.98819	2.7
69.96500	2.1
71.01347	1.0
83.05027	2.1
84.88876	0.7
87.00883	0.9
98.21961	0.7
99.08186	0.8
99.92606	2.3
100.07690	1.1
101.06063	3.6
112.11310	0.8
116.05097	1.6
126.03540	0.9
143.86526	2.2
144.04562	100.0
145.03073	1.1
145.03951	0.8
145.04991	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	144.0456
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
57.95677	0.3
59.01369	0.3
61.98819	0.6
70.96872	0.3
79.46422	0.2
80.03827	0.2
95.50195	0.3
99.08190	0.5
99.92599	0.6
100.63555	0.3
104.99734	0.3
116.05077	1.0
126.03496	0.6
142.03009	0.5
143.86505	0.5
144.04553	100.0
145.04916	5.9
145.08751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
57.03432	22.1
58.15648	7.4
59.01395	8.3
59.51025	7.2
69.48883	7.2
70.75012	10.6
73.02943	14.0
74.02474	13.9
77.96468	7.8
101.02444	100.0
101.07201	10.7
102.05602	36.2
109.04069	11.4
114.74992	7.1
127.05163	42.6
128.03528	31.0
145.01498	9.2
145.06178	17.8
145.61658	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36012	3.4
54.08758	3.3
57.03442	11.2
58.02983	3.8
59.01367	12.9
62.13039	3.1
62.29443	3.9
68.14557	3.5
70.03619	10.4
71.01372	16.6
71.05026	5.8
73.02939	4.1
74.02463	12.4
78.88676	3.5
83.01396	4.8
83.05017	10.1
84.04552	13.9
87.00894	7.0
99.04543	3.4
99.08184	3.6
101.02448	34.6
101.06071	10.0
101.07189	7.1
102.05609	100.0
109.04055	20.0
115.00403	7.5
115.92048	4.0
118.02983	6.9
125.03525	7.8
127.05126	35.5
128.03526	54.5
132.90683	3.3
144.95412	6.0
144.96481	62.7
145.01376	6.8
145.05013	12.5
145.06171	25.4
145.08778	4.6
145.09851	19.6
146.02495	32.6
146.04561	24.5
162.19624	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	145.0143
Annotation	Methyloxaloacetate
Peak:m/z	Relative Intensity
52.88358	2.4
57.03448	27.0
57.41745	2.2
59.01377	8.0
62.82301	2.3
66.21137	2.3
66.91425	2.1
69.84185	8.2
71.01374	13.2
71.05019	4.2
72.99301	4.2
73.02958	18.0
74.02460	11.9
83.01382	9.3
83.05023	4.7
84.04564	4.1
87.00863	7.9
92.96030	2.5
101.02448	100.0
101.06083	7.6
102.02768	3.1
102.05608	29.2
109.04089	4.7
114.93605	2.5
115.00346	9.1
127.00386	5.2
127.05165	6.2
128.03532	14.1
144.95428	4.8
144.96480	55.2
145.01469	13.1
145.05087	4.5
145.06042	4.2
145.09818	10.7
146.02502	20.9
146.04526	4.1
146.08244	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	145.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42049	3.5
58.02967	12.4
59.01366	9.3
61.03268	4.0
61.29893	3.8
67.02998	7.8
69.59193	15.7
71.01384	11.3
71.05013	8.0
72.00883	5.7
74.02477	25.0
82.02984	9.1
84.04549	45.3
86.02475	6.9
87.00886	6.8
98.02464	6.8
99.05631	6.0
101.07221	17.7
102.05608	75.7
107.02510	5.7
109.04082	48.4
115.00356	5.7
125.03569	14.6
127.05143	100.0
128.03539	73.4
145.01448	8.0
145.05161	6.9
145.06200	64.6
145.09833	6.1
146.04585	13.9
146.08238	17.9
156.06297	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	145.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65845	1.7
58.02981	10.7
67.02458	1.6
67.03016	3.6
70.02985	2.9
71.01373	3.2
71.02486	1.9
72.00912	6.1
74.02475	22.9
82.02997	6.4
84.04544	37.0
86.02471	6.6
88.04043	5.7
95.88241	2.0
97.04069	4.2
98.02505	3.2
99.05641	3.7
101.07204	21.2
102.05610	55.9
102.06258	4.0
109.04082	45.5
117.62959	2.4
119.92164	1.9
125.03557	12.2
127.05136	100.0
128.03537	64.6
129.03955	2.1
144.86971	2.1
145.06187	66.7
146.04553	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	145.0871
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.69697	1.0
51.30083	1.0
53.31504	0.8
59.01374	0.9
63.11626	0.9
65.03943	1.3
71.06322	1.4
81.59108	0.9
83.05023	7.8
87.00872	0.9
90.42061	0.8
90.98914	0.8
99.08156	100.0
100.08493	4.1
101.06072	2.9
102.03482	1.4
102.05598	1.2
117.03476	3.1
117.04550	1.2
118.03027	1.0
127.07643	3.7
137.90372	0.9
144.96506	2.3
145.02939	2.4
145.03973	2.1
145.04347	1.4
145.05031	5.6
145.08708	56.8
145.10193	7.4
146.02481	7.1
146.09035	2.5
156.67281	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72270	1.0
53.32314	0.9
58.35797	0.9
69.65665	1.3
69.66016	3.5
74.02520	1.0
80.11679	1.2
83.05044	2.0
88.41711	1.1
97.06611	1.5
99.08160	100.0
100.08489	3.4
101.06083	2.3
102.05568	1.5
117.03481	3.8
118.03079	1.3
127.07671	2.9
144.96489	2.3
145.02972	3.2
145.03964	1.7
145.04950	4.7
145.08711	45.6
146.02481	8.2
146.09036	1.2
162.05182	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42409	2.8
54.41938	2.7
59.01379	100.0
65.34064	2.9
67.43000	2.7
67.90728	3.0
69.36988	11.8
71.01372	7.5
73.02920	3.6
77.29277	2.9
81.03477	3.7
83.05045	6.6
87.00878	4.3
98.21783	3.0
99.08163	9.6
100.92623	2.9
101.06092	8.3
102.05569	3.4
105.64762	3.7
117.03477	7.9
118.02992	7.0
145.03001	6.9
145.04063	9.3
145.04938	11.1
145.08723	18.9
146.02487	29.9
152.15234	3.6
157.26981	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.83584	1.4
61.98853	1.4
69.46777	6.9
71.01382	2.1
77.55518	1.5
83.05027	3.2
99.08160	100.0
100.08472	3.7
101.06099	3.0
118.03055	3.1
122.22269	1.8
128.03586	2.4
144.96484	5.1
145.03964	1.7
145.04999	9.1
145.08707	49.2
146.02490	11.1
146.09097	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	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48718	1.2
59.01373	1.5
72.62696	1.3
83.05025	1.9
97.06590	5.3
98.21785	2.4
99.08161	100.0
100.08479	3.6
100.92611	1.4
101.06091	2.7
102.05654	1.7
117.04568	1.3
118.02975	2.4
118.67852	1.2
122.24736	1.5
127.07683	2.4
143.07158	1.7
144.96509	5.0
145.03038	2.1
145.03966	2.7
145.05014	7.3
145.08713	54.8
146.02481	14.3
149.93192	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68642	3.0
56.86323	3.3
59.01379	100.0
83.05025	4.6
87.00863	3.0
97.13551	3.3
99.08131	7.0
101.06076	10.2
102.03517	4.4
102.05579	4.4
106.06441	2.8
118.02978	7.1
119.32954	3.4
119.91401	2.7
123.82495	3.2
144.96463	7.2
145.03049	4.3
145.03964	6.6
145.05011	15.2
145.08717	15.4
146.02484	29.2
160.35411	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	146.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.0
62.47183	0.9
70.10728	0.9
70.74450	1.3
74.02458	2.0
88.04036	1.5
102.05608	100.0
103.05919	2.3
110.04372	1.1
124.00439	1.1
128.02560	2.0
128.03542	37.5
128.05502	3.4
129.03935	1.6
146.04596	19.5
146.06497	2.8
146.86720	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	146.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	7.0
59.01379	10.3
69.90342	1.1
69.90656	0.7
71.01384	8.9
71.05019	9.6
72.99310	1.6
73.02953	0.9
73.06589	2.6
74.02474	2.9
75.00880	2.1
82.02999	0.8
83.05038	2.9
84.04539	1.5
85.02950	19.0
87.00877	22.7
89.02449	1.1
89.91769	0.6
92.72010	0.7
98.02450	0.9
98.22578	0.7
99.00890	2.7
101.02444	2.9
101.06085	14.4
102.05611	100.0
103.04011	2.9
103.05948	2.2
116.03589	0.7
118.03008	7.7
125.05069	0.6
126.25241	0.6
128.03545	41.8
129.01952	6.7
129.03900	1.0
129.32788	0.6
138.29097	0.7
146.02570	7.9
146.04585	19.0
146.08302	0.8
146.86679	3.2
147.01996	1.3
147.03015	9.9
147.04597	2.4
147.06642	18.7
159.77852	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.03
Annotation	(R)-2-Methylmalate
Peak:m/z	Relative Intensity
57.03449	18.9
59.01384	11.6
69.99461	0.9
70.35788	1.5
70.77066	0.9
71.01385	3.1
71.05002	1.4
71.23074	1.0
72.99322	1.7
75.00912	1.2
75.18542	1.0
83.05018	0.9
85.02953	59.7
86.03292	1.6
87.00878	100.0
88.01225	1.8
89.02449	6.2
92.30167	1.0
99.00891	1.7
101.02459	4.9
101.06092	2.4
102.02780	1.0
103.04005	9.0
103.05959	1.4
116.25051	1.1
129.01947	22.6
129.03854	1.0
147.03009	35.4
147.04448	2.3
147.06641	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	25.4
59.01379	29.5
62.03638	1.9
70.03001	2.7
70.87431	3.0
71.01388	20.6
71.05028	50.7
72.99326	3.6
74.96194	8.6
74.98315	1.9
75.00878	4.0
79.98615	1.8
81.48843	1.8
85.02954	69.8
85.03473	3.8
86.03310	3.6
87.00880	100.0
88.98805	8.1
89.02455	9.0
92.95994	6.0
97.44191	2.1
99.00891	14.1
99.70149	2.0
101.02449	5.9
101.06096	4.2
102.05562	3.8
103.04024	9.9
103.05952	4.6
120.06628	2.2
129.01942	22.2
129.03885	3.0
129.05568	2.6
147.01993	8.3
147.03001	41.4
147.04543	28.0
147.06624	37.1
148.06236	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	147.0452
Annotation	trans-Cinnamic acid
Peak:m/z	Relative Intensity
50.14326	7.2
58.28090	8.9
58.88181	6.7
66.08595	6.7
67.03706	7.3
68.15628	6.1
70.75584	8.8
70.89161	6.9
84.59137	8.0
98.22673	19.8
103.05515	25.9
119.05084	11.0
147.04533	100.0
148.04860	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	147.0453
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99416	6.2
59.85464	6.8
61.26385	5.9
61.55088	7.4
69.31847	34.5
71.01392	6.8
98.21938	10.6
103.05557	21.6
105.01823	7.2
109.38281	7.2
110.42031	5.8
119.05042	8.7
121.62332	6.2
147.04535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0439
Annotation	D-Methionine
Peak:m/z	Relative Intensity
59.01363	25.0
59.50081	15.5
70.02970	22.5
72.99306	46.4
75.33536	15.2
87.00896	27.0
88.14044	18.2
94.38394	19.0
100.04032	45.0
104.82310	18.2
105.01849	18.0
107.03642	57.8
121.02979	25.6
148.04393	79.6
148.06335	100.0
149.01033	23.9
154.36691	19.1
161.59109	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	148.063
Annotation	3-Methyladenine
Peak:m/z	Relative Intensity
53.17616	0.4
54.39625	0.4
59.01378	1.2
65.01447	4.1
70.02985	0.7
70.39839	0.8
72.99309	1.7
75.00942	0.5
79.66797	0.4
82.04106	6.1
87.00887	1.7
92.02572	0.4
94.99320	0.4
98.22626	0.4
106.02859	5.4
106.04101	0.7
107.03645	60.3
108.03313	0.7
108.03992	1.3
117.02071	0.7
120.06645	0.9
131.02388	1.3
132.03166	3.0
133.03947	10.8
146.04721	1.0
147.42972	0.4
148.06300	100.0
149.00905	1.1
149.06581	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
52.98135	1.2
59.01382	32.8
59.61610	1.4
70.43967	2.2
71.01392	3.1
72.99308	72.5
73.99658	1.5
75.00862	9.8
87.00878	100.0
88.01215	2.3
89.02461	2.3
98.21948	1.3
103.00363	13.2
105.01940	7.2
121.02939	2.6
124.26675	1.5
130.99858	3.7
149.00916	66.3
149.04514	3.9
150.01234	1.6
150.05666	2.3
166.24561	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21173	1.7
59.01376	35.5
72.98891	3.8
72.99306	78.0
73.02957	1.6
75.00883	6.0
76.46186	1.5
77.03997	2.0
87.00874	100.0
88.01213	2.9
93.03485	2.9
94.99290	7.4
97.84155	1.4
103.00374	16.9
104.97739	3.0
105.01893	7.9
120.88033	1.8
121.02961	11.0
130.99872	4.0
134.10077	2.0
148.96751	2.2
149.00923	68.3
149.02432	11.3
150.03195	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	149.009
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
50.69222	1.3
59.01075	2.2
59.01374	31.3
72.99309	80.2
75.00867	5.7
87.00879	100.0
88.01212	2.2
98.22717	2.3
103.00375	13.4
105.01962	7.1
121.02903	2.5
130.99889	4.2
149.00922	62.6
149.02205	2.9
150.01245	1.7
156.42378	1.3
164.22336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0245
Annotation	Piperonal
Peak:m/z	Relative Intensity
59.01376	5.8
62.82221	1.9
63.03095	1.8
63.77817	2.0
67.16751	1.9
69.71481	5.9
71.01357	2.8
71.21602	1.7
72.99300	1.7
84.31966	1.8
87.00886	3.2
89.02439	5.2
92.02663	2.0
94.99307	32.4
95.01382	2.9
98.21941	2.3
104.97752	15.1
108.02174	4.9
108.04601	2.5
120.50498	2.2
121.02958	100.0
122.03239	3.0
123.04530	2.3
134.03717	2.6
148.96724	11.1
149.01218	3.1
149.02441	32.0
149.06033	5.3
150.00230	2.4
150.05568	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	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
55.65005	1.1
59.01381	9.3
62.92972	1.0
66.95589	1.0
69.03461	2.4
69.70690	3.5
69.88754	1.0
71.01380	34.0
71.17104	1.0
72.99290	1.0
73.02943	30.2
75.00867	4.2
75.11925	0.9
85.02933	1.6
87.00864	9.4
89.02446	100.0
90.02766	2.2
98.22592	1.3
101.02426	1.3
103.04010	9.9
119.80181	1.1
128.81088	1.0
131.03514	8.5
144.28317	1.2
149.04556	51.2
150.04889	1.5
164.91574	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0456
Annotation	L-xylulose
Peak:m/z	Relative Intensity
59.01380	77.4
69.03458	3.1
70.08993	4.7
70.09361	5.3
71.01384	47.0
72.99305	65.8
73.02949	26.7
75.00869	45.4
85.02945	4.6
85.68267	2.8
87.00339	3.4
87.00879	81.1
89.02448	100.0
89.83546	2.4
90.02787	2.9
91.30251	2.2
98.21955	4.6
101.02461	2.7
103.00394	5.5
103.04027	9.9
105.01923	6.9
107.03645	2.5
121.02923	6.0
130.99899	4.6
131.03532	12.5
133.01538	7.7
137.66403	2.6
148.92430	2.8
149.00925	41.9
149.02101	4.4
149.02602	2.7
149.04550	66.2
150.05653	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	149.0457
Annotation	L-xylulose
Peak:m/z	Relative Intensity
51.73818	2.2
55.36744	2.2
57.08395	1.9
59.01381	39.5
60.87330	2.1
68.57031	3.0
70.35312	4.3
70.35636	3.1
71.01377	36.6
72.99310	77.0
73.02940	26.2
75.00879	10.3
87.00877	100.0
89.02448	93.3
89.03014	3.6
94.77904	2.2
94.99304	10.6
96.94760	2.3
103.00381	13.9
103.04021	9.2
104.97752	2.9
105.01936	4.8
107.03667	2.5
108.02112	3.4
112.98855	2.3
113.07359	2.4
121.02979	8.5
123.04516	3.8
126.03053	4.0
130.99866	3.7
131.03471	7.8
133.01591	14.6
143.22186	2.0
148.86435	4.8
148.96715	5.0
149.00932	60.0
149.02638	4.8
149.04541	50.9
150.04341	4.5
150.05624	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	151.0402
Annotation	Vanillin
Peak:m/z	Relative Intensity
59.29800	0.2
62.03909	0.2
63.05254	0.2
74.44429	0.2
90.89613	0.2
91.59438	0.2
92.02677	3.0
94.07155	0.2
95.01395	0.5
96.84481	0.2
108.02184	4.5
124.16512	0.2
136.01663	100.0
137.02005	3.8
143.35669	0.2
151.04012	10.2
152.04431	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
61.11145	0.5
66.03498	0.8
67.86374	0.4
69.71412	0.8
69.71790	0.8
69.72559	0.4
73.68986	0.4
78.03491	1.4
78.98589	0.7
95.01380	0.6
98.22560	0.9
106.03004	0.4
107.03767	4.5
108.02201	0.7
109.02940	1.6
110.00153	0.7
121.02969	0.8
122.02389	1.0
122.03748	26.5
123.04063	1.1
124.04058	0.6
135.03342	0.5
137.02031	3.0
151.87395	2.7
152.03537	100.0
153.01924	1.0
153.03970	3.7
162.41798	0.5
167.91325	0.5
169.22781	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
58.80561	0.5
66.03490	1.1
68.17022	0.4
71.06554	0.6
73.51079	0.4
78.98583	0.8
81.15401	0.6
82.02982	0.7
95.01387	0.6
108.02171	0.9
108.04572	0.9
108.35339	0.5
109.02964	2.5
110.00079	0.7
110.02566	0.6
121.02951	0.7
122.03743	38.3
123.04098	1.3
137.02037	1.7
151.87401	1.0
152.03534	100.0
152.07065	3.9
153.01907	1.8
153.03967	3.7
153.05014	0.6
155.71564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53341	0.4
66.03488	0.6
69.89700	1.0
78.91896	0.8
89.02419	0.7
108.04552	1.5
108.94694	1.6
109.02975	1.4
110.92609	4.5
122.03742	60.2
123.04600	5.3
124.01653	1.2
124.04059	0.5
124.98851	0.4
136.01628	0.5
137.02460	2.1
152.07175	100.0
152.93661	3.0
153.01956	0.9
153.05623	0.6
153.07564	2.6
154.02742	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	152.0718
Annotation	Dopamine
Peak:m/z	Relative Intensity
66.03491	0.5
70.49968	0.7
71.77262	0.4
81.28872	0.5
107.40910	0.4
108.02164	0.6
108.04606	0.5
109.01703	0.6
110.02507	0.5
110.07215	0.5
110.92663	0.6
122.03745	57.6
123.04611	4.4
124.01662	1.3
124.04049	1.1
125.02494	0.6
137.02515	2.2
140.06038	0.5
142.23378	0.4
152.07175	100.0
153.02057	1.1
153.07547	2.8
154.02722	1.7
163.95674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0193
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
52.98786	0.6
57.03252	0.4
57.03447	4.4
63.02394	1.8
64.21495	0.6
65.00320	10.2
65.29456	0.6
67.01904	2.8
68.99809	8.4
69.25970	2.9
75.80775	0.6
81.03464	2.9
83.01385	35.1
84.01730	0.9
85.02952	3.3
98.22610	1.4
107.01382	13.4
109.02945	11.0
111.00881	2.4
125.02459	14.7
137.25626	0.5
137.71284	0.4
151.00371	57.6
152.00766	1.4
153.01935	100.0
154.02281	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	153.0194
Annotation	Terreic acid
Peak:m/z	Relative Intensity
56.30993	0.5
57.03448	5.8
59.22442	0.4
63.02386	2.5
65.00327	13.2
66.03471	0.6
67.01888	4.0
67.03028	1.0
68.99814	9.6
71.01382	1.1
71.43028	0.7
72.00903	0.6
74.32468	0.6
78.95916	0.6
80.03794	1.1
81.03459	2.4
81.04581	1.6
83.01386	36.5
85.02950	3.6
93.04588	8.3
107.01392	18.2
108.01704	0.6
108.05684	1.4
109.02950	9.9
109.04077	1.0
110.07252	2.0
111.00916	2.7
122.03751	1.7
123.04045	5.2
125.02454	15.9
126.02770	0.7
136.05171	1.4
137.03558	4.9
151.00374	60.6
152.00743	2.2
153.01941	100.0
153.07515	11.1
154.02299	4.2
154.05037	0.6
154.06219	12.5
169.01436	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0194
Annotation	3,4-Dihydroxybenzoate
Peak:m/z	Relative Intensity
57.03441	4.6
63.02393	2.7
65.00329	12.2
65.03970	0.9
67.01892	4.9
68.99820	11.1
69.66538	2.3
80.96498	0.8
81.03458	4.4
81.89170	0.7
82.00642	0.7
83.01389	40.6
85.02523	0.6
85.02933	3.7
93.03456	5.7
107.00700	1.3
107.01386	15.3
109.02950	13.0
109.06617	1.0
110.00096	0.8
111.00879	3.0
121.02950	7.0
123.04546	9.4
124.01670	0.8
125.02443	15.8
125.66668	0.6
136.43649	0.6
137.99571	0.8
139.04024	11.4
151.00377	56.9
152.00702	2.4
153.01944	100.0
153.05432	3.7
153.83134	0.6
154.02293	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	153.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30191	1.7
59.99635	1.8
64.58714	1.5
69.03455	2.1
69.27777	9.4
71.01364	3.3
72.61668	1.7
81.03454	3.0
82.02982	5.5
83.01393	2.2
85.02953	2.1
88.64420	1.6
95.05027	4.0
97.02920	11.5
105.07109	2.8
108.02213	2.1
108.05840	3.7
109.02961	18.1
109.06596	16.3
110.00114	5.6
111.04543	2.2
111.08204	1.9
113.06091	4.7
116.59583	2.1
122.03741	81.1
123.08162	8.0
125.02451	2.9
125.06084	9.4
135.08202	3.2
136.05299	13.4
137.06096	35.9
137.99623	3.5
138.02084	2.1
138.06866	100.0
139.07710	11.4
151.07642	48.8
152.04808	3.9
152.08444	23.8
153.00764	2.9
153.01932	12.8
153.03094	4.5
153.05547	3.5
153.09213	26.7
153.86867	19.9
154.01488	3.4
174.31093	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	153.0922
Annotation	Levodione
Peak:m/z	Relative Intensity
69.85123	7.6
69.85473	17.5
81.03450	6.3
82.02998	13.9
101.18756	6.5
104.17060	6.3
109.02950	38.5
110.00086	8.9
122.51079	6.0
125.02458	11.8
151.00319	9.2
153.01959	32.8
153.03026	7.2
153.05530	7.0
153.09212	100.0
153.86862	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0623
Annotation	L-Histidine
Peak:m/z	Relative Intensity
52.32595	0.7
59.01375	1.2
66.03489	2.1
67.03024	5.5
70.50357	1.2
72.00910	10.8
78.95908	2.1
80.03796	9.8
81.04580	11.4
82.02991	2.5
83.03648	1.0
93.04583	68.1
94.04928	1.7
95.02496	1.0
96.95998	2.6
96.96981	1.0
108.05676	7.7
109.04074	4.3
110.07243	16.7
111.92696	1.9
112.04081	0.8
112.92327	2.5
116.10337	0.8
118.04124	2.7
124.01685	1.7
124.04059	1.6
126.99261	0.8
136.05159	7.6
137.03574	44.0
138.03981	1.2
151.03909	0.9
153.86868	18.6
153.93817	1.0
154.01434	1.6
154.06229	100.0
154.90636	5.5
154.93384	1.5
155.06544	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	155.0715
Annotation	Cleroindicin C
Peak:m/z	Relative Intensity
55.01875	4.2
57.03456	1.8
59.01386	9.4
68.99821	3.6
69.03458	3.9
69.26714	7.0
73.02940	3.6
80.02692	4.6
80.87539	1.5
81.03461	4.1
83.01395	4.4
83.05028	9.3
84.02168	15.4
85.06586	7.6
85.18524	1.3
95.01392	1.8
95.05031	38.7
96.00900	2.1
96.96015	19.9
96.96944	1.9
97.06551	1.9
98.03738	24.2
108.02162	3.9
109.06590	53.3
110.06921	1.8
111.04524	11.9
111.08140	4.7
112.05327	4.0
113.06090	100.0
114.05591	4.0
114.06372	2.2
118.89980	3.2
125.06075	2.1
126.03229	18.7
127.07650	27.6
127.93169	1.7
128.08026	1.6
137.06084	6.8
140.25208	1.3
141.54933	1.5
154.86879	19.0
154.90634	2.2
155.07146	77.6
155.85292	3.1
155.86571	55.1
156.07538	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	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23367	0.2
55.82341	0.2
59.01379	100.0
60.01707	0.9
63.75748	0.3
69.03453	0.8
69.99628	0.5
71.01383	0.4
78.95889	0.5
96.96979	1.0
98.22528	0.3
113.02513	0.3
114.05633	0.4
157.01448	0.3
168.33525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.9909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22105	0.3
57.03444	0.3
59.01378	100.0
60.01714	0.8
60.38885	0.2
68.99833	0.3
69.03451	2.8
71.01382	0.5
75.00866	0.5
78.95879	0.4
85.02922	0.3
91.62209	0.2
96.96019	0.3
112.95443	0.2
113.02456	0.5
113.09736	0.4
114.76567	0.3
114.93438	1.1
114.98862	0.4
115.00383	0.6
115.80265	0.3
156.89468	0.8
156.90486	0.6
157.00064	0.3
157.01437	0.8
157.08772	0.7
157.12328	2.2
158.08234	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0143
Annotation	Maleylacetic acid
Peak:m/z	Relative Intensity
57.03456	1.1
58.02950	0.5
59.01378	100.0
60.01719	1.2
68.99827	2.1
69.03455	88.6
69.37016	1.8
70.03797	1.7
71.01378	14.2
78.95904	7.3
80.91691	1.9
85.02952	4.5
93.29047	0.4
95.01384	0.6
95.05022	0.5
96.96965	9.7
96.99377	0.5
97.00437	0.7
98.97431	0.4
99.00886	1.1
108.99649	0.5
111.00922	0.6
112.04044	0.8
112.92212	0.6
113.02451	15.7
113.06110	0.6
114.03075	0.5
114.05631	0.7
114.92052	1.5
115.00353	2.4
127.00391	1.3
138.91524	1.0
139.00360	1.2
156.93121	0.5
157.00107	0.8
157.01430	15.6
157.08727	0.9
158.01695	0.6
158.04639	1.0
158.08124	0.9
158.30602	0.5
178.15500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0871
Annotation	2-n-Propyl-4-oxopentanoic acid
Peak:m/z	Relative Intensity
51.13003	1.1
57.03448	100.0
59.01379	99.7
61.98819	1.3
69.03456	2.3
69.79105	1.7
69.79501	2.4
71.01393	2.1
75.00858	3.3
82.69855	1.1
84.99316	4.6
85.02958	1.9
85.06596	6.5
95.05024	1.1
96.96011	3.9
97.06578	4.1
97.93149	2.9
99.00880	2.2
99.08150	4.3
99.67188	1.1
102.00974	1.8
111.08161	7.0
112.95482	3.1
113.06068	1.3
113.09729	62.9
114.10046	1.2
114.93419	11.5
115.00356	4.4
127.00357	2.8
129.09279	2.8
130.60390	1.4
139.07639	1.3
156.86583	9.9
156.89465	4.7
156.94495	1.5
157.05127	2.0
157.08704	55.3
157.12343	4.8
157.86327	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	159.0775
Annotation	2-[[(2R)-2-azanylpropanoyl]amino]propanoic acid
Peak:m/z	Relative Intensity
52.05064	0.6
55.01869	1.8
55.37129	0.7
57.03455	2.0
58.02966	3.6
59.01387	9.6
69.03493	0.7
69.06863	3.7
69.07268	1.3
70.02984	3.5
71.01395	0.8
71.05016	1.1
72.04543	6.8
73.02932	1.0
74.02453	0.9
83.01418	1.0
84.04545	2.8
85.02958	4.3
86.06137	1.1
87.00860	1.1
87.05634	13.8
87.06472	1.3
88.04038	100.0
89.04419	1.0
97.02954	2.7
98.00135	0.8
98.06112	11.1
99.00905	1.4
99.05614	2.0
112.04074	1.0
113.04392	1.5
113.07213	1.2
114.05573	0.9
115.04063	0.8
115.08771	51.1
116.92831	1.1
118.05080	1.7
129.01936	1.2
130.05086	3.3
141.01930	1.0
141.06677	1.2
159.03076	3.5
159.07747	93.0
159.75856	0.6
160.06148	5.4
160.08089	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	159.1026
Annotation	(R)-2-Hydroxycaprylic acid
Peak:m/z	Relative Intensity
52.07131	0.4
57.03432	1.0
59.01376	6.2
63.74200	0.4
69.17711	2.1
69.48994	0.4
71.01376	1.6
73.02946	2.7
80.73727	0.4
84.88464	0.4
85.02962	0.7
86.95405	0.6
87.00899	0.6
88.04013	0.8
95.94685	0.5
97.06570	0.4
99.00892	0.9
99.92587	6.6
101.02448	1.4
111.00883	0.7
113.02450	0.9
113.09726	18.5
114.10045	0.6
114.91997	0.7
114.94934	5.1
115.03944	0.7
115.07645	0.6
116.92861	21.7
117.92876	0.7
123.08179	0.7
127.04024	0.6
129.02005	1.2
141.09222	1.8
156.19597	0.5
157.08722	1.4
158.84621	0.6
158.89391	0.8
158.93869	3.0
159.03085	2.4
159.10265	100.0
160.10596	2.8
173.23471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0244
Annotation	3-HYDROXYCOUMARIN
Peak:m/z	Relative Intensity
59.01374	0.5
61.25328	0.2
69.72153	0.3
69.72483	0.6
71.01365	0.3
73.02942	0.9
77.03951	1.1
79.63541	0.3
85.02944	0.5
89.03979	0.8
95.05055	0.4
104.02682	0.5
105.03456	3.1
115.01890	1.2
117.03469	0.9
123.04552	0.4
132.02180	9.5
133.02957	100.0
134.03262	3.2
161.02444	70.0
162.02792	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
55.01862	5.3
57.03447	14.3
59.01378	52.9
69.03445	3.4
69.72047	3.5
69.72402	2.7
71.01379	100.0
71.05013	7.7
72.99309	4.1
73.02943	62.5
73.43834	1.3
75.00871	2.0
77.03951	1.4
81.03447	7.0
82.84776	1.2
83.01379	9.3
84.02171	2.7
85.02950	81.6
85.04889	1.4
85.55195	1.3
86.03291	1.6
87.00877	4.5
87.04485	2.1
88.04019	2.0
89.02435	11.2
89.04385	3.2
92.76113	1.3
94.27636	1.2
95.01389	21.7
97.02954	6.6
99.00890	3.6
99.04514	13.6
101.02438	15.6
104.02779	1.7
105.03488	2.2
113.02455	36.1
115.04012	3.8
117.05591	10.1
131.03500	14.3
131.05489	1.7
132.02168	8.4
133.02959	90.3
134.03319	2.8
143.03462	3.0
161.01079	2.9
161.02443	59.6
161.04498	14.6
161.08221	16.6
162.02881	2.4
162.05638	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	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
52.93987	0.2
55.45965	0.2
59.01386	0.6
72.00910	1.9
72.99300	0.3
91.01913	0.3
91.05553	0.3
92.83129	0.3
93.03470	1.5
117.03493	0.3
119.05030	100.0
120.05379	3.4
135.04538	0.3
147.04536	5.0
156.48309	0.2
162.83917	6.5
162.89275	0.5
163.00342	0.4
163.04013	10.9
164.04353	0.3
164.07140	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	163.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26656	0.2
58.99615	0.2
59.01406	0.2
67.58088	0.2
91.05560	0.2
93.03466	0.9
98.22650	0.3
101.44090	0.2
119.05028	100.0
120.05352	3.3
133.50397	0.2
162.83960	0.5
163.04002	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	163.0401
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
59.01364	0.5
60.40179	0.4
63.69950	0.3
73.20582	0.4
78.34953	0.3
91.05003	0.7
91.05537	8.6
93.03455	1.9
102.98596	1.1
109.84718	0.3
112.38107	0.4
119.05031	100.0
120.04592	0.6
120.05363	4.4
123.42620	0.3
130.85886	0.3
135.00749	0.5
135.03532	0.5
135.04527	0.9
147.04555	0.4
154.86960	0.4
162.83983	0.4
162.89305	0.6
163.00369	0.7
163.02869	0.7
163.04033	12.7
163.07616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.8
60.50774	2.4
68.14341	2.5
111.49042	3.4
118.99261	8.0
119.05037	4.7
162.83925	48.3
162.97791	3.1
163.11279	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	163.1123
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
50.62386	3.0
61.98828	3.7
63.39602	3.2
66.87959	3.1
102.92653	3.9
108.80862	3.1
118.99329	5.5
133.89410	3.5
135.62881	3.4
143.99966	3.6
161.54591	3.5
162.83904	25.8
163.00243	4.1
163.11302	100.0
164.11662	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	164.0717
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
51.20819	0.6
58.39008	0.6
70.50906	1.2
72.00912	38.5
74.80717	0.6
91.05534	5.2
93.40472	0.6
103.05533	6.7
111.25864	0.7
119.05048	1.0
147.04526	100.0
148.04871	2.7
164.07166	53.0
164.83566	1.1
165.07558	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	Tricaine
Peak:m/z	Relative Intensity
71.40106	0.2
78.91879	0.3
80.05055	2.0
92.05071	0.3
93.03414	0.3
96.04574	0.3
108.08205	1.7
116.92857	0.7
120.04531	0.8
120.05341	0.4
121.02953	2.8
121.05338	14.3
124.04063	0.2
127.87052	0.3
134.89413	0.3
135.03319	0.3
135.04446	0.4
136.04070	1.2
136.07684	15.2
137.04811	1.5
137.07957	0.6
147.15442	0.2
149.04825	9.3
153.04372	0.5
163.83994	4.1
164.03574	2.7
164.07164	100.0
164.83618	22.9
165.05458	0.3
165.07549	2.9
169.00883	0.3
171.28058	0.2
172.67729	0.2
181.03807	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0717
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.17786	0.4
66.03484	0.6
69.11594	3.0
72.00908	38.6
91.05524	4.0
92.05116	0.6
93.03465	1.2
94.02927	0.5
97.66142	0.5
103.05530	2.2
119.05019	1.7
120.04530	1.2
120.05357	9.3
121.02947	6.2
121.06605	0.6
135.04523	1.6
136.04030	1.1
147.04524	100.0
148.04834	3.0
149.01062	0.5
163.83873	0.7
164.03510	1.6
164.07166	54.2
164.83629	4.4
165.07523	1.8
170.87700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0193
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
54.62830	0.4
59.01376	0.6
69.66221	1.0
69.66599	0.8
70.06879	0.5
73.40144	0.5
77.03959	1.0
84.67462	0.4
88.18299	0.5
98.21912	0.5
121.02957	100.0
122.03293	3.1
144.20813	0.5
165.01930	8.6
165.05525	0.6
168.20438	0.5
176.58084	0.4
177.05745	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0405
Annotation	D-Arabinonate
Peak:m/z	Relative Intensity
56.28474	0.6
56.84696	0.6
57.03432	0.8
58.53332	0.6
59.01106	1.2
59.01376	10.3
59.29652	0.6
60.46026	0.6
60.59672	0.6
66.67854	0.7
71.01381	8.7
72.70924	0.6
72.99297	3.5
73.02955	4.7
75.00876	15.4
75.70776	0.7
85.02929	1.4
87.00877	100.0
88.01205	0.9
89.02438	4.8
93.03415	1.0
99.00258	1.4
99.00886	20.9
101.02456	5.6
105.01939	82.6
106.02269	0.8
108.04558	1.1
108.93688	0.9
117.01924	3.1
119.03506	0.8
121.02963	13.6
121.06551	0.8
122.78502	0.6
129.01968	1.2
135.02988	1.6
137.02431	1.0
138.05615	0.8
141.70724	0.7
147.03006	8.7
164.83632	4.5
165.04053	58.1
165.07623	2.0
166.01476	0.7
166.05153	1.6
178.72000	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0555
Annotation	4-Methoxyphenylacetic acid
Peak:m/z	Relative Intensity
54.81055	0.5
59.01379	28.3
71.01386	1.7
71.44536	0.8
74.99069	0.7
75.00856	0.9
77.03967	4.2
77.17835	0.7
89.02455	0.8
91.03327	0.6
93.03455	14.0
106.04227	0.6
107.05065	1.0
108.02177	1.2
109.02946	0.9
119.05022	4.6
121.02957	100.0
121.05628	2.1
121.06575	14.1
121.07559	0.8
122.03252	1.4
122.79444	0.6
123.00732	0.5
123.05653	1.1
135.04504	1.0
136.01643	0.9
137.02458	2.4
147.04529	2.2
149.00926	2.7
150.03207	1.9
152.95468	0.6
164.64514	0.5
164.83595	2.0
164.89742	2.1
165.01926	9.9
165.05563	38.4
166.01439	1.5
173.45531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98958	0.5
55.86807	0.4
68.13815	0.5
70.97186	0.8
72.99308	31.1
74.00079	0.5
86.86568	0.5
91.05541	2.0
101.03973	1.2
103.05534	5.8
117.03468	1.4
119.05029	37.2
120.05333	0.9
121.02956	3.5
137.02429	0.8
147.04521	100.0
148.04794	2.7
162.42865	0.6
165.05569	31.8
166.05922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	D-(+)-3-Phenyllactic acid
Peak:m/z	Relative Intensity
70.82190	0.7
72.99310	30.8
74.37656	0.5
76.65941	0.6
91.05517	3.7
101.03963	1.6
103.05538	4.7
117.03481	0.7
119.05027	34.5
120.05350	0.9
121.02956	2.4
121.03773	0.5
122.38065	0.6
147.04523	100.0
148.04854	2.9
165.05563	31.3
166.05910	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61743	0.5
59.01384	0.8
68.91168	0.4
69.27663	1.0
69.28066	1.4
72.99309	30.6
75.00877	0.5
78.62582	0.5
91.05541	1.9
93.03448	0.8
99.06517	0.5
101.03975	1.6
103.05563	3.1
117.03443	1.1
119.05027	33.8
120.05365	1.1
121.02949	16.9
121.05699	0.6
121.06609	0.8
123.71262	0.5
137.02440	1.5
147.04523	100.0
148.04866	3.6
149.00923	0.9
150.03145	0.5
164.83623	1.4
164.89905	0.6
165.01889	2.0
165.05565	32.5
166.01358	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Orthoform
Peak:m/z	Relative Intensity
61.98833	1.2
64.45383	0.7
66.00961	0.7
66.03487	1.0
69.80792	2.3
73.38309	0.6
78.15328	0.6
80.91705	1.6
85.00414	0.7
93.03453	0.6
93.99348	0.9
95.01382	1.0
98.22647	1.3
108.02162	3.2
108.04507	0.8
116.92872	0.9
121.02953	9.5
121.95010	1.1
122.02475	0.7
122.03296	2.3
122.06159	1.3
123.04543	1.4
124.04021	1.4
124.98451	5.3
125.87253	0.7
136.01637	3.6
136.05298	10.2
138.01929	1.1
138.05611	0.8
148.01157	0.6
151.00343	2.2
151.02751	25.3
152.01193	3.3
153.87645	0.7
165.83728	5.5
166.01439	11.4
166.05103	100.0
166.83345	8.1
166.99350	1.1
167.03563	3.1
167.05437	2.9
183.01736	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	166.051
Annotation	Pyridoxal
Peak:m/z	Relative Intensity
60.69561	0.6
65.42660	0.5
67.01883	1.1
68.14732	0.5
71.44115	0.5
92.05052	4.0
94.02991	1.3
108.02168	1.7
108.04559	87.2
109.04903	1.8
110.06133	0.7
111.00875	6.6
111.26482	0.5
120.04571	4.7
122.02484	1.2
122.03308	1.2
122.06148	0.7
123.03227	1.3
123.04532	0.7
130.95404	0.6
136.01671	0.7
136.04062	7.6
138.05615	100.0
139.05974	2.7
149.02414	0.7
152.01155	1.3
152.03548	1.2
164.03493	0.7
166.01404	2.6
166.05095	62.5
167.03590	0.7
167.05447	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	166.9753
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57647	0.4
63.96242	0.6
67.01891	10.6
69.35877	0.4
69.70282	1.5
73.02920	0.4
78.95911	2.1
79.50711	0.4
85.02946	1.8
89.02468	0.4
90.92250	0.4
90.98588	1.6
91.01912	0.6
92.92802	10.1
96.03313	0.4
98.21942	0.5
101.41062	0.4
102.94386	0.5
108.02193	1.2
111.00883	100.0
112.01252	2.3
123.04535	1.3
148.96457	0.8
152.01152	1.1
166.97525	9.5
166.99759	0.5
167.03485	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	2,5-Dimethoxy-p-benzoquinone
Peak:m/z	Relative Intensity
59.01358	1.9
60.08955	1.5
61.25863	1.7
61.98820	6.9
64.13909	1.5
67.35770	1.6
69.39473	5.3
80.02655	1.6
80.40618	1.6
82.95431	9.7
83.01393	3.0
89.77655	1.7
91.01890	1.7
95.01378	5.4
95.05045	2.3
96.04548	5.7
101.22012	1.5
108.02177	47.9
111.00898	5.9
111.04527	1.9
121.06586	1.9
123.00905	7.7
123.04549	14.0
123.08173	9.3
124.01628	5.4
124.04058	2.3
124.98439	17.4
126.01933	1.7
132.86795	30.2
140.02577	3.1
152.01161	66.9
153.00607	13.5
166.83337	55.3
166.99586	4.7
167.03502	100.0
167.07190	4.2
167.83661	2.5
167.87105	4.9
168.03062	6.5
168.10429	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	167.0351
Annotation	5-Methoxysalicylic acid
Peak:m/z	Relative Intensity
61.98836	0.8
65.00347	1.1
68.05991	0.4
69.65130	0.8
69.65473	1.2
80.02702	1.2
82.95409	0.9
84.30403	0.4
91.01897	8.0
96.04581	0.8
100.45084	0.5
108.02178	53.6
109.02543	1.2
109.08875	0.4
111.00899	0.6
112.39615	0.4
123.00935	0.8
123.04530	25.6
124.01682	2.6
124.04910	0.8
124.98426	1.0
132.86786	4.4
152.01158	100.0
153.00491	1.0
153.01503	2.3
154.90340	0.5
166.83366	5.0
166.99474	0.6
167.03502	24.1
167.07079	0.7
168.03966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	18.4
75.50145	3.8
82.95416	23.7
85.00430	8.3
95.05014	5.0
96.04576	9.1
98.03742	5.3
108.02179	36.8
123.00890	10.9
123.04552	26.8
123.05322	4.8
123.08147	3.8
124.98446	100.0
126.01958	4.8
132.86787	55.0
137.02362	3.8
140.02573	6.5
151.99936	5.4
152.01158	82.3
153.00673	38.0
166.83344	96.6
166.99501	20.6
167.03514	55.8
167.04678	5.6
167.07135	7.1
167.10776	59.1
167.83656	6.8
167.87108	22.7
168.03006	18.4
168.06932	4.4
187.52934	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	168.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	100.0
59.01369	3.7
61.98825	20.8
68.99850	1.0
69.03431	1.6
82.47370	1.4
82.95413	30.7
89.42448	1.0
95.01409	2.1
96.04559	11.7
108.04536	1.8
115.65388	1.0
123.00899	7.3
123.04523	1.2
124.04044	2.7
125.02443	19.8
125.09673	1.7
125.98515	4.7
126.01978	3.1
126.90350	1.2
126.98196	1.2
132.86794	58.3
138.76830	1.3
141.02052	2.4
150.05621	1.1
152.99420	2.3
153.00659	46.9
153.01834	2.5
167.83650	8.7
167.87123	17.8
167.99579	1.2
168.01831	1.3
168.03033	15.7
168.06691	1.2
168.10292	3.5
168.13762	10.9
168.83585	9.9
169.01398	7.3
184.17250	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0142
Annotation	Gallate
Peak:m/z	Relative Intensity
52.03998	0.4
61.98830	0.9
68.99815	2.2
69.03456	4.8
79.01892	1.1
81.03453	3.5
83.01371	0.5
85.00426	3.4
95.01364	0.7
96.96002	0.4
96.99306	0.9
97.02949	4.7
97.06563	0.5
107.01392	1.0
107.79876	0.4
112.83619	0.4
124.01675	0.9
125.02448	100.0
125.91443	0.4
126.00973	0.9
126.02774	3.1
132.86792	11.4
134.86548	38.3
151.00461	0.4
154.00981	0.4
168.98991	1.8
169.01430	39.1
169.83395	6.2
170.01755	1.4
175.08846	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.087
Annotation	(E)-4-Oxo-2-nonenoic acid
Peak:m/z	Relative Intensity
53.08468	1.0
55.01866	5.6
61.28243	1.1
61.98820	1.4
65.99834	1.2
69.03453	7.5
69.25134	4.0
69.25539	2.1
71.04652	1.7
71.05019	27.3
80.02666	1.2
81.03444	3.9
83.05032	7.3
83.22733	1.0
84.95113	2.8
85.00441	3.4
85.02921	1.1
87.00874	2.4
89.33200	1.1
95.05015	2.4
97.02937	3.7
97.06561	2.9
122.89326	2.1
123.08148	8.8
125.02449	52.8
125.06087	1.3
125.09724	100.0
126.10088	2.5
126.90348	3.7
126.98218	2.2
132.86795	4.7
134.86557	13.6
139.19839	1.0
140.86336	0.9
141.25443	1.0
141.61952	0.9
154.01048	1.4
168.83633	17.0
168.99130	1.6
169.01439	16.7
169.06265	1.7
169.08701	10.6
169.83435	1.9
169.86804	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	171.1028
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
58.02966	9.4
59.01373	9.3
61.98819	3.7
67.86155	2.5
71.05020	20.4
73.02953	2.8
88.98801	5.8
89.02441	11.6
97.12376	2.6
99.08156	6.2
99.68507	2.7
99.92606	9.6
107.06226	3.2
109.06590	5.0
114.44987	2.7
117.00452	4.8
124.48060	2.5
125.09736	5.7
126.88097	5.1
127.07684	19.0
127.11291	47.5
128.90111	4.3
129.03152	3.7
134.86555	20.9
136.86278	27.2
144.04558	3.7
153.09213	10.7
170.83334	100.0
170.88391	9.6
171.01993	75.7
171.10274	93.0
171.13890	9.1
171.83347	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	171.1026
Annotation	9-Oxononanoic acid
Peak:m/z	Relative Intensity
58.02959	8.4
58.63766	2.3
59.01382	14.4
61.98820	6.5
63.43967	2.7
77.77507	3.0
88.98838	3.4
89.02450	11.4
96.96007	4.3
99.00900	3.5
99.08208	3.7
99.92613	6.5
107.41837	2.5
125.09653	3.2
126.88112	6.9
127.07632	8.4
127.11272	8.0
128.90073	10.6
129.03047	4.1
130.08717	3.9
134.86533	17.7
136.86314	22.0
153.09213	4.6
170.83325	70.3
170.88383	7.4
170.98985	3.0
171.02000	79.7
171.06665	4.5
171.08766	6.0
171.10260	100.0
171.13892	8.8
171.83263	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	171.1028
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01877	2.4
57.03450	7.2
69.72196	7.3
70.94357	2.2
71.05017	35.7
83.05034	7.3
94.06551	2.4
97.06591	2.8
99.08162	100.0
125.09730	38.1
125.50040	2.2
127.11295	81.5
128.24939	2.0
153.09262	13.8
170.83307	6.3
171.02036	7.6
171.10269	62.8
172.10625	2.4
174.32405	1.9
177.35832	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	171.1027
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
50.47981	0.9
55.01875	1.0
57.03445	1.8
58.02972	3.1
59.01385	6.4
61.98804	0.8
69.03449	1.4
83.05035	0.9
85.02912	1.0
88.98785	1.4
89.02445	2.4
90.23409	0.8
96.96052	1.1
99.00891	1.3
99.92558	1.2
109.06590	1.8
111.08171	15.2
117.00450	1.3
125.09753	1.4
127.07655	6.4
127.11285	8.9
128.97894	1.2
129.03081	1.1
130.08742	1.1
134.86517	0.9
144.04498	1.1
151.74657	0.9
153.09215	24.6
154.09540	1.3
170.83331	17.1
170.88374	2.0
171.01987	24.1
171.03352	1.4
171.10272	100.0
171.13914	4.0
172.10612	2.6
173.69093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1027
Annotation	(-)-Blastmycinolactol
Peak:m/z	Relative Intensity
55.01874	0.7
58.02964	1.1
59.01365	0.8
69.45237	1.2
69.45622	1.5
71.05042	0.5
86.32597	0.6
88.98817	0.5
89.02431	0.8
98.21879	0.9
99.08150	0.6
99.92604	0.8
125.09722	3.0
127.07636	2.3
127.11303	7.2
134.86542	1.2
136.86343	0.9
153.09195	1.2
153.88872	0.6
170.83347	8.0
170.99037	0.7
171.02003	7.8
171.10269	100.0
172.10585	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	172.098
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02964	1.2
59.01362	0.9
60.66893	0.4
61.98816	0.9
67.01882	0.5
69.76414	0.4
70.67171	0.8
85.02940	1.2
85.06635	0.5
87.09952	0.4
93.03455	2.1
99.92576	4.8
111.08125	0.7
115.92100	0.9
116.05056	1.9
116.77750	0.5
118.30550	0.4
128.07982	0.6
128.10841	2.5
130.08742	100.0
131.09077	1.9
134.86552	7.7
136.86299	6.5
144.04549	9.2
144.29218	0.4
166.85062	0.5
171.83301	2.4
171.91064	0.6
172.02510	0.9
172.03920	3.1
172.09744	13.5
172.83073	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	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69684	0.3
58.02991	1.2
61.98840	0.8
70.75903	0.4
72.45057	0.3
73.13395	0.3
82.06641	0.5
85.02972	1.1
93.03485	1.6
99.92582	3.4
115.92120	0.5
116.05051	0.7
128.08018	0.3
128.10832	3.5
128.84630	0.3
130.08739	100.0
131.09105	1.8
134.86533	6.2
136.86288	6.7
144.04543	7.4
154.08717	0.9
171.83226	2.7
171.91005	0.8
172.02573	0.5
172.04019	2.4
172.08284	0.7
172.09763	14.4
172.83052	4.5
173.10123	0.4
189.11057	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
57.03439	3.7
59.01379	4.8
61.98829	15.1
67.01891	3.6
68.99811	5.7
71.01382	5.5
71.20856	2.6
71.93912	2.2
73.02969	4.8
82.14288	2.7
83.01402	3.0
83.05033	4.7
85.02950	100.0
85.06574	2.9
88.98799	5.5
93.02911	2.0
93.03473	8.8
99.04505	3.0
99.92600	3.7
100.92593	11.6
101.02426	2.4
101.98113	6.4
111.00880	39.0
111.04530	6.2
111.08161	19.1
113.02520	2.3
129.01953	15.5
129.05568	6.1
129.09213	10.2
131.08275	2.7
136.86314	13.8
138.86015	6.7
154.94745	51.6
154.99867	6.2
155.03557	3.3
165.13083	2.0
172.83066	22.6
172.84309	3.0
172.86662	2.6
172.90918	4.2
172.95763	7.9
173.00868	5.2
173.04530	4.1
173.08180	16.7
173.11876	2.5
173.82915	3.6
175.89282	1.8
178.39285	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	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58002	1.5
70.58350	1.3
78.95897	6.2
85.02950	100.0
96.96949	10.2
111.00868	6.8
124.14816	1.1
129.01949	10.5
131.08282	4.8
136.44104	1.1
148.40144	1.1
159.47867	1.2
177.03943	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
57.03439	1.3
59.01367	1.4
67.01882	1.8
70.41994	1.2
71.01378	10.3
72.99255	0.8
73.02930	1.9
77.38531	0.6
78.59818	0.7
80.57774	0.7
83.01370	1.4
85.02950	100.0
86.03290	1.7
87.00874	1.4
93.03449	1.8
99.00887	5.0
102.69817	0.6
111.00878	15.9
111.04514	0.9
111.62071	0.6
112.98795	5.2
124.87205	0.7
124.98811	2.7
129.01950	13.5
131.08267	7.2
142.99858	8.3
150.72191	0.8
157.07811	0.8
159.77731	0.7
173.00900	2.1
173.08194	1.1
173.10573	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
50.88313	0.3
53.00304	0.4
59.01364	0.7
67.01903	0.5
68.99815	0.3
70.62558	0.5
71.01385	5.4
72.99355	0.4
73.02959	0.5
75.19280	0.3
83.01379	0.6
85.02954	100.0
86.03267	1.6
87.00890	0.7
96.99291	0.4
97.20686	0.3
99.00892	2.5
111.00883	5.1
112.98814	5.0
115.00374	0.4
124.98799	2.1
129.01953	13.0
130.02316	0.6
140.98288	0.4
142.99870	12.8
143.01021	0.6
173.00891	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33570	0.4
70.26589	0.7
71.01392	0.9
78.38552	0.4
81.49473	0.4
85.02950	100.0
85.48893	0.4
86.03293	1.7
98.21970	0.5
111.00887	7.9
129.01949	11.4
131.08246	1.2
142.99889	0.6
173.00917	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01718	1.1
65.97430	0.5
69.03435	0.6
85.02956	3.6
85.06586	19.3
93.03468	1.2
96.37836	0.5
111.00872	1.3
111.08167	4.7
113.06084	18.5
114.06388	0.6
120.60741	0.5
129.09224	1.9
131.07141	96.0
132.07481	1.8
171.75195	0.6
173.08180	2.2
188.85880	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71033	0.4
59.01377	100.0
60.01696	0.6
60.42276	0.4
69.03464	0.9
69.24439	2.7
73.25087	0.4
83.05032	0.5
85.02950	2.4
85.06588	21.5
93.03458	0.7
111.00916	0.5
111.08183	3.1
113.06082	18.9
129.09221	1.1
131.07137	95.7
132.07491	1.6
145.04913	0.6
173.08177	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.082
Annotation	2-Propylglutaric acid
Peak:m/z	Relative Intensity
57.03452	0.4
59.01373	4.7
61.70321	0.3
62.92650	0.4
67.01892	1.9
69.03436	0.4
70.74484	0.6
71.01389	1.7
73.02947	0.5
78.94894	0.4
82.46734	0.4
83.05007	0.8
85.02960	2.5
85.06610	1.2
93.03461	6.6
107.84112	0.3
111.04539	1.3
111.08164	13.8
112.08519	0.4
112.98792	0.7
113.06094	1.8
115.00322	0.4
128.87881	0.6
129.01935	0.6
129.09219	100.0
130.09502	2.6
131.07155	4.3
136.86299	0.6
142.99861	0.4
154.94731	0.6
155.07147	3.9
172.83046	9.3
172.84407	0.7
173.08189	33.6
173.11809	1.4
173.82870	0.4
174.08487	0.7
175.49619	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0819
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
51.02792	0.5
58.82797	0.6
59.01379	100.0
60.01708	0.6
64.10400	0.6
67.01893	0.8
69.03471	1.3
69.69289	0.6
69.98842	1.3
78.36855	0.5
83.05021	0.9
85.02966	1.6
85.06092	1.3
85.06592	18.4
88.77451	0.5
93.03468	2.5
111.08165	9.3
112.97383	0.6
113.06092	22.7
118.50830	0.6
129.09254	0.7
131.07143	98.3
132.07469	1.6
135.78461	0.5
145.04918	1.0
158.33992	0.7
172.83067	7.3
173.04486	1.2
173.08218	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1044
Annotation	L-Arginine
Peak:m/z	Relative Intensity
57.03450	1.2
58.04113	0.5
59.01369	3.1
67.01897	1.5
69.03432	0.4
69.84706	0.8
71.01381	4.1
71.01737	0.5
72.99312	3.0
73.02943	1.2
81.03467	0.3
83.01379	0.4
83.05053	0.8
83.06116	0.3
85.02949	28.9
85.06580	1.1
85.07732	0.4
86.03297	0.4
86.25401	0.3
87.00887	0.4
93.03459	5.1
93.74654	0.3
99.00893	1.8
101.02439	0.3
102.91891	0.3
109.06565	0.3
110.64825	0.3
111.00876	4.1
111.04514	1.9
111.08158	1.1
112.08817	0.3
112.98812	0.8
113.07194	0.4
114.05626	1.5
115.00385	0.4
117.00462	1.5
119.00188	0.9
121.45004	0.4
124.98783	0.8
128.10812	2.3
129.01932	3.2
129.05615	0.7
131.08264	100.0
132.08635	1.5
137.02425	0.4
137.13800	0.3
142.99843	2.2
144.99910	0.9
155.07109	0.3
156.07794	3.1
172.83055	13.4
173.01045	0.7
173.04500	1.2
173.05859	0.3
173.08224	3.2
173.10466	5.8
173.12918	1.4
173.83170	0.4
174.11351	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	173.1181
Annotation	2-hydroxynonanoic acid
Peak:m/z	Relative Intensity
50.69817	0.3
51.72715	0.3
58.71949	0.3
59.01377	1.5
68.94595	0.2
71.01389	0.6
72.99313	0.3
73.02930	0.4
83.05016	0.4
85.02945	3.7
85.06586	0.3
93.03467	2.8
97.06564	0.3
99.00899	0.6
111.04483	0.5
111.08141	1.2
113.06070	0.4
125.09752	0.4
127.11292	9.5
128.11623	0.3
129.09261	0.5
131.07147	0.9
136.86293	0.3
154.94693	0.3
155.10780	2.2
171.10280	0.9
172.83061	1.2
173.11821	100.0
174.12166	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	174.056
Annotation	3-Methyl-1H-indole-2-carboxylic acid
Peak:m/z	Relative Intensity
53.84957	1.6
56.24718	1.4
59.01379	21.3
61.98810	3.8
71.41965	1.5
73.93049	1.7
77.10772	1.5
78.78416	1.4
85.02954	1.5
115.22028	1.4
115.22929	1.4
116.05065	31.3
128.05054	20.2
130.06633	61.4
131.02084	1.5
131.06992	1.5
131.08231	1.5
132.98232	5.9
136.86264	2.9
144.04559	7.3
146.02603	1.9
146.06119	48.9
147.06487	1.7
156.04561	5.5
172.04024	2.1
173.93703	1.9
174.05606	100.0
175.05922	1.8
177.69684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	D-Galacturonolactone
Peak:m/z	Relative Intensity
51.66141	6.8
59.01382	49.4
63.15530	6.2
69.03454	21.0
71.01379	22.5
71.14446	8.5
73.02927	8.6
75.00822	5.7
80.76540	6.1
85.04353	6.1
87.00851	6.9
87.04516	14.0
99.00903	7.4
100.98798	100.0
109.55041	6.5
113.02431	8.3
115.00376	18.2
117.01940	16.0
122.92107	6.7
127.97527	79.2
132.98186	10.0
142.99855	15.8
148.98621	42.9
157.01439	59.9
174.82857	40.3
174.96765	7.8
175.02461	16.0
178.55966	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	175.0612
Annotation	2-Propylmalate
Peak:m/z	Relative Intensity
52.27163	1.6
59.01379	100.0
69.17239	1.8
70.89698	2.0
71.01372	4.2
73.02944	1.9
76.59402	1.3
78.95897	2.4
85.02962	1.8
85.06593	23.8
87.00867	1.7
100.98825	2.1
113.06093	20.6
115.00378	3.1
115.04015	50.1
116.92830	6.0
117.01893	1.4
124.98767	1.8
131.07140	4.3
132.98196	25.3
139.87250	2.6
147.04497	3.5
149.84543	1.4
157.05037	5.2
174.82744	33.6
174.83987	6.0
174.85994	2.6
174.88983	3.6
174.99216	10.8
175.03868	4.0
175.06151	32.0
175.09694	1.4
176.03519	2.4
190.45721	1.6
192.69272	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	176.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45800	0.6
59.01385	3.0
59.25074	0.7
60.01726	0.6
64.14539	0.6
66.06705	0.5
69.16325	3.5
70.15369	0.5
71.01401	1.0
82.00620	1.0
86.31463	0.6
91.80367	0.5
92.02682	10.3
95.01408	5.1
99.00846	0.7
108.02175	29.3
109.02468	0.8
120.02180	18.0
123.00871	0.9
133.02972	1.0
134.06169	0.7
137.23441	0.6
138.03198	1.3
147.00990	0.7
148.01660	25.9
148.04073	1.0
149.02248	0.9
162.03253	1.8
162.48914	0.6
176.01154	100.0
176.03598	2.8
176.07170	2.0
177.01852	6.0
178.99800	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	176.0717
Annotation	Methyl indoline-6-carboxylate
Peak:m/z	Relative Intensity
59.01379	2.7
60.01698	0.5
63.44489	0.3
70.70920	0.5
71.01376	1.1
73.02911	0.3
73.53760	0.3
75.00855	0.5
87.00875	0.6
89.02449	0.5
99.00892	0.5
105.48472	0.3
109.02951	0.9
115.00389	0.3
121.02953	0.6
129.01985	0.5
132.99153	0.3
133.01740	0.4
133.02921	0.6
134.02480	1.1
134.03677	0.4
135.04539	1.3
138.85960	0.5
139.87257	0.6
141.60036	0.3
148.00398	1.6
148.04050	3.5
149.06088	5.3
159.04506	1.0
160.04045	3.8
161.04819	9.1
162.03220	0.8
174.05637	2.1
175.82794	0.9
176.03777	5.5
176.07164	100.0
176.82663	0.9
176.98076	0.9
177.01976	0.7
177.07532	3.4
193.03778	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.7
66.02025	0.2
70.03036	0.7
71.01383	0.6
75.00888	0.5
75.73186	0.2
77.03966	0.8
81.03462	1.9
83.32774	0.2
89.03967	6.9
93.03448	1.2
95.05028	1.3
99.00874	0.6
99.92587	0.8
105.03462	13.1
106.03790	0.4
107.01398	0.5
109.02973	0.4
115.59874	0.2
121.02953	1.1
129.01958	0.4
133.02963	27.6
134.03316	0.5
139.04016	0.5
141.86755	1.5
141.93607	0.7
149.02455	3.8
149.06148	0.3
150.02832	0.3
155.42836	0.3
159.87825	0.4
162.03217	2.2
176.85851	0.6
177.01932	100.0
177.84534	0.4
178.02290	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Daphnetin
Peak:m/z	Relative Intensity
53.53748	0.2
59.01382	0.3
69.35386	0.7
77.03974	0.7
81.03454	2.3
89.03971	7.4
93.03465	1.4
93.15113	0.2
95.05022	0.7
105.03461	13.1
107.01400	0.7
109.02975	0.3
109.15466	0.2
118.49519	0.2
121.02963	1.2
121.38952	0.2
133.02959	25.6
134.03316	1.0
139.04013	0.5
149.02449	3.8
161.77194	0.3
168.56892	0.2
177.01930	100.0
178.02286	3.2
199.25185	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9507
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.4
61.78696	0.3
66.46798	0.3
69.76989	0.9
71.01368	0.3
78.95903	9.8
79.95741	0.4
87.00893	0.4
96.96014	16.3
96.96932	2.5
119.93721	4.9
126.86945	0.3
129.39108	0.3
134.96091	39.7
135.96176	1.6
136.94009	100.0
137.94081	3.9
151.92717	11.0
152.92773	0.4
161.04488	0.4
178.95045	66.4
179.05620	0.5
179.95198	3.4
199.59647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12843	0.3
58.66574	0.3
59.01369	0.7
69.87231	0.5
69.87600	0.6
71.01387	0.4
81.75204	0.2
89.03934	0.4
91.05539	0.6
93.03501	0.3
94.47898	0.3
95.40251	0.3
96.81807	0.3
106.04257	0.3
107.05013	4.0
117.03468	1.1
125.96526	0.3
134.03746	13.9
135.04523	100.0
136.04840	2.5
145.74925	0.3
179.03493	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	179.0351
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.20330	0.2
59.01379	10.1
60.38745	0.2
63.49453	0.3
63.68301	0.2
69.84474	0.6
71.01383	6.5
75.00862	0.6
79.05521	0.3
85.02506	0.2
85.02943	1.2
87.00900	0.6
89.02449	3.3
89.03979	0.9
91.05534	1.0
93.03457	0.3
101.02453	0.7
105.09021	0.3
106.04249	0.8
107.05019	4.0
108.02176	0.3
113.02465	0.4
117.03464	1.5
119.35808	0.2
133.02994	0.3
134.03745	15.2
135.04529	100.0
136.04890	2.4
161.04564	0.4
179.03500	14.9
179.05479	0.8
180.03841	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45613	0.3
69.87486	0.6
80.05582	0.2
89.03992	1.0
91.05550	1.1
101.48522	0.3
106.04256	0.8
107.05027	4.2
108.02168	0.5
117.03469	1.7
126.61916	0.3
128.33870	0.3
134.03743	17.9
135.04523	100.0
136.04839	2.5
179.03496	12.1
180.03754	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Aspirin
Peak:m/z	Relative Intensity
58.97122	0.6
59.01379	29.0
64.51331	0.6
69.03422	0.8
69.39977	1.7
71.01381	16.2
73.02933	1.0
76.41879	0.6
77.21450	0.5
77.36626	0.5
85.02965	3.4
87.00879	8.9
89.02438	6.8
91.05534	37.5
92.05891	1.1
96.96015	5.0
96.96943	0.7
97.02971	1.0
98.22670	0.7
99.00864	1.6
99.92599	0.5
101.02441	2.3
101.06497	0.5
107.05003	1.0
108.02191	0.7
109.02984	1.1
113.02454	1.3
117.01955	1.7
118.99297	1.4
121.02961	0.8
125.02434	1.3
134.03767	1.0
135.04527	100.0
136.04846	3.3
136.94061	0.8
137.36531	0.6
141.01949	0.7
143.86571	0.6
149.02466	1.0
150.05577	3.8
151.00331	0.8
151.03989	0.7
151.07681	0.8
161.04546	4.5
164.01138	0.7
164.04747	0.8
178.81461	0.8
178.85889	1.2
178.99892	1.1
179.01302	0.9
179.03520	13.3
179.05588	5.9
179.07104	1.6
180.06686	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	179.0562
Annotation	alpha-D-Glucose
Peak:m/z	Relative Intensity
52.83798	0.5
55.01868	0.9
57.09627	0.6
58.00602	2.0
59.01382	100.0
61.81384	0.6
69.05248	0.5
71.01385	73.6
72.99310	2.4
73.02942	1.8
75.00880	7.5
75.82296	0.6
79.26300	0.6
79.69437	0.5
80.65299	0.6
81.03445	0.7
83.01390	1.2
85.02944	5.4
87.00875	1.6
89.02448	32.0
95.01385	1.6
96.05278	0.5
96.96860	0.6
99.00890	0.8
101.02465	5.0
105.01929	1.3
113.02448	6.2
143.03455	0.6
179.05618	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	179.0562
Annotation	L-Fructose
Peak:m/z	Relative Intensity
58.00594	1.4
59.01380	100.0
68.03949	1.2
70.06448	2.6
71.01382	65.7
72.99330	1.4
73.02946	1.5
78.95911	21.4
83.01389	1.9
85.02946	5.9
87.00884	7.7
89.02445	30.5
95.87753	1.2
96.96963	7.3
98.21972	1.6
99.00874	1.8
101.02442	5.7
111.21545	1.3
113.02466	5.6
117.01991	1.6
119.03513	2.1
119.05019	1.9
125.02531	1.4
134.96098	1.8
135.04547	2.7
136.94019	1.9
136.94963	2.3
151.08801	2.9
161.04543	4.3
163.03967	2.5
165.32306	1.3
178.96150	2.0
178.97746	2.3
179.03517	2.4
179.05611	4.5
180.06744	3.6
184.44255	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	3.1
60.01703	1.2
63.79307	0.8
69.67797	0.9
71.01383	2.1
72.00906	26.2
72.01726	1.5
72.27616	1.0
72.27995	1.1
74.02464	4.2
89.02464	1.0
93.03460	20.0
106.04252	4.5
107.05033	2.5
119.05026	64.9
120.05392	0.9
120.18239	0.9
121.36638	1.0
127.63069	0.8
134.06155	1.4
135.04218	3.4
136.03848	1.9
136.04849	26.7
136.07678	2.6
137.94012	1.1
146.23959	1.0
150.47920	1.0
158.87941	0.9
162.05612	1.4
163.04007	79.6
164.04364	1.9
168.37383	0.8
180.03877	4.3
180.06659	100.0
181.06970	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	181.0507
Annotation	Syringaldehyde
Peak:m/z	Relative Intensity
55.01891	0.3
57.87531	0.3
59.01385	0.7
67.01913	0.5
70.57064	0.7
71.01409	0.9
73.02987	0.4
79.01926	0.5
95.01431	0.9
101.02504	0.4
123.00887	12.6
137.02448	1.0
139.07626	0.3
151.00377	73.7
152.00743	1.6
153.03088	1.0
163.00339	0.6
165.01924	2.0
166.02716	100.0
167.03082	2.2
180.85851	0.7
181.05063	18.2
181.08606	0.7
182.05200	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0458
Annotation	Isonitrin C
Peak:m/z	Relative Intensity
53.90835	0.8
54.66241	0.8
55.72941	0.9
68.99571	1.3
69.35925	3.8
84.40836	0.7
84.53862	0.8
88.72820	0.8
89.45223	0.7
91.41519	0.8
96.04588	0.9
96.96015	2.5
102.48460	0.8
108.02177	49.0
109.02495	0.9
112.98586	1.7
123.00918	1.3
138.01979	100.0
139.02306	2.5
148.55789	0.8
149.47893	0.7
152.00697	1.7
156.26419	0.8
157.16066	0.9
164.03557	5.2
165.01831	1.0
166.01462	3.5
167.03131	2.0
167.99403	0.9
180.03030	28.3
180.56062	0.8
181.03468	0.9
181.83934	1.4
181.92906	4.5
182.04585	97.9
182.85957	0.9
183.04933	2.3
183.10260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0459
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
54.53227	0.3
61.98830	1.0
67.99223	0.3
68.00072	0.3
71.32345	0.4
72.04538	0.3
73.71851	0.3
89.40916	0.3
91.93027	0.3
91.93610	0.3
92.05060	3.2
94.02985	0.9
96.95977	0.5
108.04557	48.0
109.04872	0.9
110.06112	0.9
113.95583	0.3
120.04554	4.2
122.02467	0.5
123.03272	1.4
123.04536	5.2
136.04045	0.8
137.02460	0.3
138.05611	100.0
139.06007	2.1
143.86497	0.8
149.64146	0.3
150.05579	4.2
152.03535	0.5
182.04579	28.1
183.04964	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26024	0.4
56.16391	0.3
59.01382	0.7
67.01915	0.4
70.27369	0.5
70.27689	0.7
81.03458	1.1
93.03471	0.9
94.03030	0.4
95.01395	0.6
95.05009	2.8
96.02065	0.6
96.04582	0.4
97.00445	0.8
101.02461	0.7
105.03455	0.6
108.02189	1.0
108.04560	7.2
108.88202	0.5
109.02961	2.8
112.05112	0.5
120.04571	0.8
121.02950	0.9
122.03794	2.7
122.06141	0.5
123.04533	100.0
124.04875	1.7
134.02481	1.0
136.04039	1.0
138.05620	13.7
139.02629	1.2
140.01062	0.5
149.04846	0.6
150.05614	80.2
151.05949	1.9
151.75768	0.4
152.00677	0.5
157.03613	0.7
164.03503	0.8
182.04556	4.3
182.08229	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	183.1027
Annotation	Crocusatin B
Peak:m/z	Relative Intensity
55.39741	1.1
61.98827	14.2
68.59427	1.0
68.99571	5.4
69.03446	2.4
70.82728	2.1
79.99595	1.4
83.05032	3.2
85.06592	6.5
97.06596	7.8
111.00884	2.3
111.08167	1.5
112.98579	5.3
123.08141	3.5
129.77084	1.3
137.09677	1.4
139.00407	2.0
139.11296	100.0
140.11603	2.3
153.00621	1.4
165.01947	1.7
167.99431	5.7
182.86060	7.5
182.93042	5.9
183.00464	5.0
183.10289	6.0
184.01054	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	183.1027
Annotation	(3R)-3-Isopropenyl-6-oxoheptanoate
Peak:m/z	Relative Intensity
57.03451	100.0
58.54362	1.9
59.01375	4.0
61.98830	4.1
65.45473	1.8
67.01904	2.1
68.99574	9.7
69.03457	8.4
71.05029	1.7
81.03438	2.2
81.79190	1.6
95.01390	4.2
98.21877	4.8
107.63731	1.8
111.00866	2.5
111.08171	2.1
112.98557	12.3
123.00890	4.8
123.08156	6.6
139.11302	42.9
153.00723	3.0
165.01865	2.0
165.09196	4.9
167.99402	3.4
168.00681	4.2
182.85965	5.5
183.00479	18.9
183.10274	17.2
184.00969	4.1
184.02458	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	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
50.55870	1.0
54.08791	1.2
56.11334	1.0
57.03416	1.3
59.01377	2.4
59.34927	1.3
61.46058	1.2
61.98830	10.1
68.99567	4.1
69.03452	2.0
71.01369	1.6
71.44949	1.6
83.05067	1.4
87.15042	1.0
101.02435	1.3
109.06590	2.6
111.00877	1.2
111.08170	2.1
112.98582	5.0
123.00852	1.6
127.07647	1.5
137.09721	3.0
139.07639	3.1
139.11293	15.1
153.00662	2.2
155.10788	17.9
165.09213	3.2
167.99390	5.4
182.85921	4.2
182.92995	3.9
183.00467	9.4
183.10265	100.0
184.01015	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	184.0101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.2
59.38584	3.8
71.04586	4.3
96.57800	3.5
97.10957	3.7
98.34052	3.8
100.58109	3.3
104.86195	3.9
140.02065	29.4
141.99930	4.1
158.98401	4.0
172.68748	3.6
184.01019	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	184.0102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.7
69.90516	11.5
78.40601	4.4
83.06724	3.6
90.28559	4.1
108.36115	3.7
112.04105	4.1
123.34557	3.7
139.89949	5.9
140.02032	28.9
140.89713	6.1
141.99982	8.3
179.87680	3.9
184.01025	100.0
184.06184	5.6
185.00998	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	185.082
Annotation	cis-2-Carboxycyclohexyl-acetic acid
Peak:m/z	Relative Intensity
55.20897	1.4
55.88361	1.4
59.01372	5.9
60.22920	1.5
68.69137	1.5
69.26571	1.3
71.08334	1.9
72.69515	1.4
75.76710	1.4
94.05279	1.3
97.06599	1.5
103.01493	1.9
123.08176	6.4
125.87340	2.2
126.89219	1.6
140.89693	3.9
141.09216	100.0
142.09573	3.7
160.00121	1.4
160.44411	1.4
185.01152	2.8
185.08208	35.1
185.11824	21.5
198.81522	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	186.1136
Annotation	8-Amino-7-oxopelargonic acid
Peak:m/z	Relative Intensity
53.22577	0.9
56.40585	0.9
57.03442	2.6
58.17616	1.1
59.01361	3.3
61.98828	1.3
72.66816	0.8
73.02972	1.0
73.31402	0.9
78.09363	0.9
84.97184	0.9
88.04036	5.4
97.06581	9.8
98.22500	1.0
111.65873	0.9
114.09248	5.4
123.08151	5.0
125.09722	92.8
126.10102	1.1
139.87257	3.3
141.09132	1.2
142.12343	5.0
159.01514	1.1
168.10287	3.7
169.08743	1.1
186.11346	100.0
187.09753	3.3
187.11552	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	186.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43272	0.4
58.02977	4.5
59.01369	1.4
61.98821	0.4
66.03491	0.4
68.05055	5.4
69.35394	1.7
94.54478	0.4
96.22412	0.4
98.22620	0.8
114.09248	100.0
115.09597	1.6
139.87277	0.7
144.10307	32.8
145.10680	0.7
146.54692	0.4
172.89479	0.5
186.11359	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.1
58.02974	1.0
59.01379	72.2
61.98830	4.5
67.01895	1.0
70.81237	0.8
71.01383	2.9
71.05016	1.9
71.41049	1.0
74.02473	1.6
77.33017	0.9
78.95916	2.4
83.05055	2.1
85.02947	4.2
88.04040	6.4
89.02472	1.5
90.97169	2.3
92.95978	2.7
97.06583	1.6
99.00872	3.1
99.02943	1.0
101.07222	3.9
111.00874	6.1
113.06068	1.3
115.02517	3.9
115.03994	3.1
115.08734	1.0
117.00465	8.2
125.06075	5.8
125.09711	3.2
127.87090	3.3
128.53439	1.0
129.01936	3.9
132.98204	2.1
141.86845	2.0
142.89357	9.0
143.02048	2.2
143.07130	6.5
143.11848	1.6
154.99922	1.1
159.01497	100.0
160.01627	4.4
160.98604	2.8
167.14946	1.0
168.95488	0.9
169.05066	5.6
186.88377	2.5
186.96664	6.3
187.00996	13.7
187.02554	1.7
187.06104	6.8
187.11017	4.5
187.13367	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0249
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
57.03436	0.6
58.00586	1.5
58.02962	1.7
59.01380	10.1
61.85180	0.5
67.01891	13.6
68.99815	0.8
71.01384	3.6
71.05026	3.2
72.99297	0.9
73.02946	11.3
74.02477	1.0
78.95898	0.6
81.03459	1.7
81.07111	1.0
83.01376	2.4
83.05019	0.9
85.02976	1.2
88.04042	2.2
88.98794	1.2
89.02461	2.2
97.06609	0.7
98.02496	2.6
99.00884	1.2
99.04520	9.9
101.07211	1.6
102.05592	0.5
111.00883	100.0
112.01192	1.1
112.07710	0.5
113.02500	0.6
114.05619	2.0
114.09261	1.4
115.04005	1.0
115.08767	0.5
116.07125	0.8
117.28094	0.5
124.04002	0.6
125.02375	0.6
125.06078	2.0
125.09700	0.7
128.95981	1.3
131.08279	1.4
139.04008	0.7
142.05115	3.8
142.08754	2.9
143.03510	11.9
143.07147	6.9
143.11926	1.9
144.03024	0.8
144.06647	1.8
144.10323	0.6
145.09811	1.2
146.08176	0.7
158.03548	0.6
159.01515	5.0
169.05077	5.4
170.08240	1.3
187.02527	0.9
187.04126	1.2
187.06096	4.8
187.10948	5.0
188.05663	2.2
188.09253	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	187.0611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30032	0.8
57.03440	1.1
59.01379	10.2
66.93047	0.7
71.05021	2.9
71.45742	1.1
72.99287	0.8
73.04063	3.0
75.78412	0.7
81.07102	2.6
83.05028	2.5
87.00858	0.7
89.46996	0.7
90.97126	1.0
95.05029	1.2
97.06602	1.2
99.00887	2.4
99.08157	2.4
110.17210	0.7
113.06091	7.3
115.03994	2.8
125.06087	14.1
125.09717	2.7
127.04008	1.2
130.08757	7.8
132.98181	0.9
133.02997	1.3
139.04021	13.5
141.05591	2.1
143.07141	91.3
143.11908	5.3
144.07440	1.3
159.01476	5.2
159.04492	2.9
161.02409	3.0
169.05064	100.0
170.05391	2.3
174.84390	0.8
176.42278	0.7
187.04066	5.3
187.06123	44.0
187.09673	3.4
187.11107	5.4
187.13394	0.9
188.06485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0612
Annotation	2-Oxosuberate
Peak:m/z	Relative Intensity
59.01377	24.4
61.98827	5.9
66.18029	1.9
69.82372	6.3
71.01376	4.0
71.05011	2.2
72.82773	1.8
78.95898	9.9
83.01364	2.2
85.02974	5.4
87.92535	2.2
88.98809	4.8
89.02450	3.3
90.97142	9.3
92.37508	1.9
95.05067	2.7
97.06565	2.7
98.21947	3.7
99.00880	11.4
99.08129	2.1
99.92602	3.9
113.06080	10.4
115.04034	4.1
122.89416	3.1
125.06100	16.8
125.09721	6.9
127.87209	3.4
129.01881	1.9
132.98212	7.3
139.04034	14.8
141.86818	14.6
142.89394	11.4
143.07138	100.0
159.01503	16.4
159.87900	4.8
168.88939	2.5
169.05061	96.2
186.85429	10.1
186.88148	3.2
186.95581	2.4
187.06137	36.2
187.09731	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
57.03450	45.3
59.01381	20.5
61.98836	19.3
69.03463	2.8
69.54041	9.1
71.01379	3.9
85.06590	3.1
85.21806	2.3
90.97147	4.5
97.06600	3.6
99.92576	8.0
122.89444	3.2
125.09733	88.3
127.87040	4.3
129.05585	100.0
132.98222	5.8
141.16026	2.4
141.86827	58.8
142.89394	15.7
143.10847	2.6
159.01482	14.1
159.87872	20.4
168.88773	3.7
169.08714	53.3
186.85643	2.8
187.00798	3.0
187.05174	4.7
187.09767	23.4
187.86105	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	187.0976
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
53.13319	0.7
57.03450	4.2
59.89677	0.9
67.44703	0.8
70.95145	1.1
90.96371	0.8
97.06599	13.3
115.25866	0.7
123.08151	5.9
125.09724	100.0
126.10070	2.8
143.10785	1.2
149.98463	0.8
154.65112	0.9
169.08682	1.7
187.09755	52.6
188.10118	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	187.0975
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
59.01378	96.0
69.26957	1.1
69.27375	2.6
80.52015	0.6
83.05054	0.8
89.11571	0.6
92.73730	0.5
93.42433	0.6
99.08154	23.4
125.09737	3.1
127.07648	21.2
141.86772	0.6
145.08702	100.0
146.09026	2.2
185.31351	0.6
187.09726	2.3
204.28227	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04889	0.4
57.03451	3.3
58.98943	0.4
59.01379	2.4
61.98837	2.6
69.03439	0.7
69.31135	2.5
71.33128	0.4
90.97124	0.8
95.05033	0.5
97.06598	11.2
107.53799	0.4
123.08185	5.4
125.09728	100.0
126.10088	2.4
132.98233	0.6
141.86826	6.8
142.89395	0.9
143.10777	2.7
159.01530	1.8
159.87892	3.4
169.08698	1.7
187.01196	0.8
187.09764	49.1
188.10103	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	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
57.03448	2.1
59.01388	4.0
61.98827	1.5
70.57182	1.1
71.57868	0.6
73.02952	0.9
79.62895	0.5
81.03482	0.5
83.05029	1.2
85.06576	1.0
91.08961	0.6
99.08157	23.4
120.04514	0.7
127.07652	29.0
129.05583	100.0
130.05910	1.4
142.86818	1.0
143.86534	4.4
145.08755	4.1
150.89294	0.6
161.87573	1.3
171.06609	4.9
189.03101	1.3
189.07690	48.4
190.08099	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
51.86148	0.8
57.03449	2.7
59.01381	5.0
61.98833	8.1
69.66232	1.3
69.66578	1.7
73.02941	1.3
83.05026	1.8
85.02937	0.8
85.39529	0.7
85.71808	0.7
92.94080	0.6
99.08160	24.6
100.92583	0.8
120.04561	2.1
127.06689	0.8
127.07654	31.4
129.05583	100.0
130.05910	2.1
142.86850	2.7
143.86528	13.7
144.96213	4.0
145.08708	3.9
160.87892	0.9
160.97696	1.5
161.87570	6.0
171.06657	4.5
189.03065	1.9
189.07690	41.7
189.09004	1.7
189.85791	1.1
190.07948	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1133
Annotation	CHEBI:79257
Peak:m/z	Relative Intensity
59.01372	0.7
61.98823	1.7
62.18007	0.3
69.47900	0.3
69.74929	0.3
86.14826	0.3
98.22679	0.7
111.44858	0.3
120.04603	0.4
125.09740	1.0
127.11290	2.4
142.86839	0.6
143.86523	3.8
153.09200	0.6
160.97707	0.4
161.87541	0.9
171.10274	100.0
172.10646	2.0
189.03087	0.4
189.85831	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0197
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03447	7.0
59.01373	1.8
67.01887	3.1
69.43216	0.5
70.53216	0.9
70.53546	0.7
72.99306	1.0
75.98927	0.5
77.71211	0.5
82.58910	0.6
85.02950	33.5
85.84320	0.6
87.00876	48.3
93.03453	0.7
99.32932	0.5
111.00882	100.0
112.01214	1.7
119.01385	0.6
127.04038	0.7
129.01939	6.6
130.99915	0.7
137.14665	0.5
142.29536	0.6
148.92433	0.8
154.99916	0.8
173.00900	1.9
191.02002	12.4
191.03502	0.6
191.05586	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	191.0198
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
57.03446	12.5
59.01376	12.9
67.01891	6.2
68.99789	1.0
70.22440	1.2
71.01382	17.9
72.99306	4.2
73.02942	10.0
75.00886	1.1
83.01382	3.8
85.02952	33.8
87.00877	79.2
89.02438	2.7
92.95978	1.3
93.03465	1.1
99.00869	17.5
101.02463	5.6
111.00880	100.0
111.04515	1.3
112.01213	2.1
112.98808	23.0
115.00372	2.1
117.01942	12.5
129.01065	1.0
129.01956	13.4
131.03529	1.2
147.02994	1.4
148.94933	0.9
154.99890	0.9
173.00917	3.2
191.00391	1.4
191.01988	15.5
191.05586	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	191.0198
Annotation	Citric acid
Peak:m/z	Relative Intensity
55.71129	0.5
57.03451	6.6
57.22237	0.5
59.01362	0.6
67.01891	3.4
71.01363	0.5
71.41251	0.5
72.99313	0.6
85.02952	29.9
87.00878	43.1
96.70295	0.4
97.22556	0.4
99.00826	0.4
103.04016	0.5
111.00885	100.0
112.01222	1.4
115.00378	1.2
125.92363	0.4
129.01939	5.4
130.99759	0.7
131.04541	0.6
133.01448	2.2
147.03044	0.7
148.94998	1.1
149.16383	0.4
154.99846	0.6
173.00900	2.3
191.01988	12.2
191.05646	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	7.7
62.96510	0.9
67.01882	3.7
71.10166	1.5
85.02955	28.0
87.00882	46.1
95.47540	1.2
103.03994	0.9
107.36273	0.9
111.00885	100.0
112.01245	1.8
129.01929	5.8
148.02565	0.8
149.61116	1.1
158.05914	0.9
173.00803	1.4
191.01979	15.1
213.78804	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.035
Annotation	Scopoletin
Peak:m/z	Relative Intensity
52.64285	0.5
55.05899	0.5
59.01376	7.8
61.98823	0.6
69.85850	0.9
69.86219	1.5
71.01366	0.8
73.02934	0.9
85.02947	2.1
85.76420	0.6
87.00885	2.6
99.00851	0.6
104.02688	15.4
108.02155	0.8
111.00880	3.6
118.99293	4.3
120.02130	1.5
123.00904	0.6
128.95216	0.6
133.05209	0.5
137.00372	1.3
144.86606	0.5
145.86220	0.9
148.01662	15.3
148.02832	0.9
163.00365	0.6
163.87161	0.6
169.58876	0.5
176.01144	100.0
177.01451	2.8
190.97800	1.8
190.99811	1.2
191.01978	0.9
191.03503	23.0
191.05559	4.5
191.10730	1.0
192.03789	1.0
212.50542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Anemonin
Peak:m/z	Relative Intensity
59.01379	0.7
61.98829	0.4
69.31432	1.0
85.02956	0.7
87.00893	0.6
92.74432	0.3
101.03951	0.2
111.00910	1.5
118.99306	1.1
119.05042	1.1
121.02958	100.0
122.03291	2.0
144.86642	0.3
145.86330	0.5
147.04521	6.9
148.04771	0.3
190.97806	0.4
191.03506	7.7
191.05560	1.1
191.10750	0.4
192.03809	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
53.56515	0.3
57.03441	0.4
59.01374	3.5
61.98809	0.4
63.00655	0.3
70.88218	0.4
73.02917	0.3
73.16063	0.3
85.02948	2.3
87.00878	3.2
92.02677	2.4
95.01375	0.8
102.72381	0.4
108.01461	0.4
108.02174	5.5
111.00877	6.9
118.99329	2.1
119.05016	0.6
120.02168	6.9
128.95190	0.3
129.01930	0.6
137.00374	0.3
145.86253	0.6
147.04512	1.2
148.01660	7.5
163.87254	0.4
172.94142	0.3
176.01149	100.0
177.01468	2.4
178.99875	0.5
190.97826	1.0
191.03516	17.6
191.05554	1.7
191.07152	0.6
191.10759	0.5
192.03691	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0254
Annotation	1-isocyanato-2-methoxy-4-nitrobenzene
Peak:m/z	Relative Intensity
59.01371	0.9
59.55303	0.5
65.99844	0.7
69.00967	0.8
75.25648	0.5
93.40791	0.6
98.22634	2.2
111.00862	0.7
112.99409	0.5
117.53329	0.5
118.03008	4.2
120.00912	0.9
121.01694	0.8
121.02940	1.1
123.00930	1.1
133.02977	1.9
134.03741	57.3
135.04059	1.6
137.02446	5.0
139.04025	1.7
146.02487	3.8
147.02029	2.5
148.02791	11.1
149.01213	6.6
149.02394	0.8
149.06081	12.5
150.01976	0.7
150.03151	1.0
150.94838	0.8
161.04552	1.0
162.01958	9.3
163.02754	100.0
164.03078	1.6
175.01476	0.8
176.02271	31.9
177.02579	0.8
178.02716	30.7
193.02542	46.7
193.05074	15.1
194.02786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
58.49065	0.6
59.01386	1.0
67.85004	0.6
71.01399	0.6
71.30827	0.6
71.31425	0.8
78.16408	0.5
93.03495	0.9
94.50146	0.6
99.44480	0.5
101.02386	0.7
106.04241	1.0
117.03462	0.7
121.02957	1.9
133.02971	4.6
134.03745	100.0
135.04077	2.6
137.02438	10.2
139.04036	3.1
149.06085	17.1
150.03220	1.8
150.94803	2.2
158.84673	2.2
161.04483	0.8
178.02722	55.5
179.03123	1.2
180.60211	0.5
192.95889	1.2
193.05064	24.6
193.06912	1.3
193.81660	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0505
Annotation	4-Hydroxy-3-methoxycinnamic acid
Peak:m/z	Relative Intensity
54.08790	0.3
59.01391	0.6
61.99737	0.3
67.10665	0.3
70.99017	0.4
71.01409	0.4
71.76680	0.4
73.02951	0.4
81.30706	0.4
81.68679	0.3
85.02943	0.5
87.00874	0.3
89.03971	3.7
93.03467	0.4
98.21773	0.3
103.55573	0.4
106.04245	0.9
111.00868	0.6
113.01351	0.4
117.03461	7.6
121.02959	1.1
128.33310	0.4
133.02936	1.9
134.03740	100.0
135.04056	1.8
137.02480	3.8
139.03998	0.9
149.06084	9.7
150.03210	0.5
150.94781	1.2
161.04581	0.6
178.02715	20.7
192.95863	0.9
193.05043	20.4
194.05304	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	Scytalone
Peak:m/z	Relative Intensity
59.01367	2.1
64.69994	0.6
69.75472	0.6
71.01372	1.8
71.43128	0.6
73.02942	2.0
85.02945	1.7
87.00864	0.9
97.02951	0.9
101.02435	0.9
111.00864	1.0
121.02947	3.1
133.02962	17.4
134.03741	28.6
135.04420	0.6
137.02451	10.1
139.04028	3.4
149.02403	1.5
149.06090	0.9
150.03186	0.9
150.94743	4.5
158.02986	0.6
158.84657	3.5
161.02449	28.3
161.04565	1.9
162.02779	0.8
178.02708	9.5
192.95917	4.0
193.05052	100.0
193.08733	2.2
193.43457	0.6
193.81599	1.6
194.05406	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	193.0505
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.81778	0.7
70.51910	1.3
71.01387	0.7
94.84772	0.7
106.04224	1.4
111.00875	1.4
113.01276	1.2
121.02963	1.6
133.02977	4.6
134.03740	100.0
135.04056	1.3
137.02451	7.3
139.03983	2.3
149.06076	19.9
150.03204	1.2
178.02711	56.0
179.03065	1.4
193.05051	29.7
200.11584	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0718
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
50.49406	1.3
50.89463	1.3
52.81093	1.3
57.03444	9.7
58.35927	1.3
59.01381	64.6
65.00333	8.6
66.71948	1.3
69.03418	2.3
71.01382	15.4
71.04630	2.0
72.96973	2.0
72.99316	7.4
73.02949	12.5
75.00873	2.4
77.42847	1.3
83.01392	11.1
84.02187	2.4
85.02955	80.7
86.03285	1.7
87.00890	4.6
89.02437	2.9
94.92484	2.1
95.05043	9.0
95.06359	1.4
96.96966	1.6
97.02958	3.3
99.00892	2.2
101.02460	7.0
103.04021	3.7
104.97453	1.4
111.00871	5.6
113.01321	1.6
113.02448	3.2
113.71867	1.6
115.00355	3.4
129.01904	1.8
131.03514	52.7
132.03780	1.4
133.21930	1.5
136.98819	47.4
138.98001	1.4
150.94713	5.2
150.98900	2.0
155.76151	1.5
168.99974	1.9
172.06274	1.6
175.06119	78.9
176.06422	1.8
188.03864	1.7
192.95454	10.8
193.07175	100.0
194.07407	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	193.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
59.79134	0.7
68.42000	0.7
69.17231	3.3
71.01406	1.2
73.02941	0.8
85.02961	1.4
87.00872	1.2
89.54211	0.7
92.09962	0.6
98.21896	1.5
100.01506	0.7
101.02460	1.3
111.01800	0.6
121.02917	2.1
121.06547	0.8
125.09742	3.4
132.27487	0.6
133.02998	0.8
134.03757	3.6
135.04524	23.3
149.02452	1.0
149.06055	1.9
149.09676	1.0
150.94786	4.4
158.84677	7.5
161.04582	1.6
163.04010	100.0
164.04379	2.8
165.09018	2.7
178.02866	5.8
178.06360	59.0
179.06694	1.8
191.06918	0.9
192.32138	0.8
192.95747	3.6
193.03516	0.7
193.04984	3.2
193.06870	1.7
193.08569	22.0
193.81561	4.6
193.88490	0.8
209.07976	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
63.46364	0.3
65.00330	2.2
67.01889	4.8
69.12554	0.7
69.12958	1.1
71.01369	0.7
75.00874	2.5
77.29472	0.3
78.95901	6.3
80.99578	0.4
85.02956	0.7
87.00867	0.3
96.96014	15.6
96.96969	9.7
98.21802	0.3
99.00833	0.4
99.82689	0.3
111.00886	100.0
112.01231	1.5
120.99127	0.4
125.99583	0.4
129.01935	1.0
132.99092	2.3
136.98820	1.4
150.03242	0.5
151.00136	42.1
152.00464	0.8
152.91797	0.5
152.94495	0.7
158.84692	0.4
160.68364	0.3
160.84224	18.0
176.98051	6.8
180.02185	0.3
180.04318	0.6
181.00189	0.5
194.99124	5.5
195.03508	0.3
195.05095	2.2
195.70482	0.3
195.81114	7.2
210.79324	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	194.991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88801	0.2
57.03420	0.3
59.01368	1.0
65.00327	2.3
67.01891	4.7
70.22659	0.7
71.01351	0.3
72.99300	0.3
75.00877	2.8
78.95910	0.8
80.99563	0.6
81.31485	0.2
85.02950	0.8
87.00888	0.8
89.00092	0.9
92.99576	0.6
96.96011	1.1
96.96952	1.5
99.00878	0.9
105.01923	0.4
110.00095	0.4
111.00884	100.0
112.01246	1.5
129.01974	1.4
132.99074	2.9
136.98799	1.1
151.00139	42.2
152.00491	1.0
160.84254	0.4
162.28880	0.3
176.98070	7.8
177.04053	0.4
194.99118	3.4
195.05168	1.8
195.81107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0047
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00335	1.8
52.62520	1.0
54.00258	1.0
59.01378	3.5
62.10764	1.0
68.99816	3.2
83.05006	1.2
88.40458	1.2
96.96021	4.9
107.04959	1.1
111.00851	1.7
120.00914	48.4
121.01694	1.5
123.00856	1.3
124.01665	1.4
137.02429	1.1
148.00420	28.4
149.01181	100.0
149.44814	1.3
150.01518	1.9
150.03267	1.3
152.91757	11.1
152.94492	2.2
155.94685	0.9
160.84192	4.8
165.01942	1.7
165.05563	1.7
166.90729	1.6
167.90535	1.3
176.89532	3.1
180.04332	1.8
181.00198	1.8
187.50725	1.0
194.90714	4.9
194.92734	6.2
194.95511	1.8
195.00441	2.1
195.02919	1.4
195.06584	1.6
195.81154	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	195.0299
Annotation	1,6,8-trihydroxy-1H,3H-cyclohepta[c]furan-5-one
Peak:m/z	Relative Intensity
55.89813	0.6
57.05066	0.6
64.92958	0.6
66.67828	0.6
67.01879	1.5
69.62034	2.1
69.62419	1.2
70.00583	1.0
83.01400	1.0
89.20020	0.6
92.95437	0.7
95.01381	1.9
98.22643	1.2
107.01373	2.3
108.02174	55.3
109.02494	1.2
111.00886	7.6
123.00890	15.8
123.04683	0.6
123.90746	0.6
124.01669	15.8
132.24362	0.6
135.00874	2.2
136.01674	14.0
137.02420	2.2
139.00377	2.0
152.01132	4.6
152.91728	1.1
167.03500	4.5
176.89262	0.7
188.58090	0.7
194.92879	1.2
195.02986	100.0
196.03328	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	195.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	4.6
59.01375	22.9
62.87037	1.1
67.01872	4.1
68.99841	1.1
70.77128	1.3
70.77481	1.3
71.01376	14.9
72.99300	4.8
75.00871	100.0
77.82863	1.0
78.95908	13.1
83.01382	1.3
85.02945	8.2
87.00874	31.4
87.02010	1.1
87.49931	1.0
89.02454	10.1
94.92493	1.4
96.92199	5.0
96.96020	27.3
96.96954	22.1
99.00883	20.6
101.02427	2.5
105.01933	23.1
110.89983	1.6
111.00880	95.7
129.01941	46.3
132.59349	1.2
132.99062	2.6
135.03003	1.2
136.98682	1.5
141.01973	1.5
147.03008	8.0
150.88797	2.2
151.00117	40.3
152.94453	3.1
159.03003	6.6
160.74078	1.5
176.98003	8.0
177.04042	11.0
194.99124	4.5
195.05090	92.9
196.05345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08656	0.4
53.19825	0.4
64.86655	0.4
70.96828	0.8
80.13336	0.4
96.96033	0.6
98.26679	0.4
108.02177	1.6
120.33333	0.4
122.03734	8.4
123.04515	2.0
137.08110	0.4
150.03223	100.0
151.03564	2.0
152.91794	1.7
152.94492	0.7
160.84210	12.0
165.05568	61.9
166.05911	1.7
167.90416	0.5
180.04285	18.7
181.04561	0.5
194.92857	0.8
195.06621	18.7
195.81088	4.8
211.70802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36634	0.4
54.14264	0.4
63.01622	0.4
69.36876	1.7
84.82789	0.5
96.96008	0.9
108.02206	1.2
122.03744	7.8
123.04544	2.0
132.24698	0.5
150.03224	100.0
151.03564	2.0
152.91782	4.0
152.94458	0.9
160.84221	25.1
165.05568	56.1
166.05901	1.9
167.90501	1.5
180.04269	17.4
184.54945	0.5
194.92799	1.7
194.95558	0.6
195.06613	15.9
195.81094	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
60.03655	0.2
61.77654	0.3
61.98820	0.3
69.30382	0.6
69.30769	0.8
69.63073	0.3
82.71014	0.3
109.06599	4.2
111.08148	3.0
122.03719	0.4
125.09710	0.8
132.22346	0.3
135.11830	0.5
138.06859	2.5
149.43242	0.3
151.11269	0.4
152.91776	0.4
158.84689	0.4
160.84221	14.5
167.14432	6.2
179.10774	4.8
180.11630	0.3
194.92726	0.4
195.13901	100.0
195.81094	9.4
196.14244	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	196.9105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63518	0.1
71.08841	0.1
79.42117	0.1
105.59959	0.2
126.90514	100.0
176.58989	0.1
178.86565	0.1
181.59113	0.1
182.02290	0.2
196.91054	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	197.0204
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00323	1.0
52.01857	0.3
52.02790	0.3
55.01866	0.4
64.00658	0.4
65.00304	0.4
65.01435	0.7
65.03970	0.5
65.99844	2.6
67.01878	0.4
68.01421	0.7
68.99821	0.9
69.03426	0.4
69.50929	0.5
69.51278	1.6
76.01929	1.8
78.03482	3.1
79.00665	0.4
88.46577	0.3
89.01431	0.9
92.01424	0.8
93.03428	0.3
94.02979	1.3
94.90518	0.3
95.01384	1.4
104.01420	2.7
104.99812	0.8
105.02190	1.0
106.02985	1.3
107.06153	0.6
108.02143	0.7
109.01669	1.1
109.02934	2.7
115.04022	0.4
116.92874	0.9
119.02538	0.8
120.00896	3.2
121.02985	0.5
122.02482	1.7
123.00908	1.9
123.03305	1.6
126.90504	2.3
132.00903	0.8
133.01711	2.7
135.02020	0.5
136.00415	0.7
136.01721	0.3
137.01169	1.6
137.02417	2.3
138.01952	1.8
138.03131	0.8
139.99879	0.5
150.01959	7.0
151.02757	1.3
153.05618	0.5
160.84215	12.9
161.84267	2.9
162.83913	36.1
163.01486	1.2
166.99806	0.7
167.01021	0.7
167.02209	2.7
167.99416	1.8
168.01753	0.5
179.01050	2.7
180.01758	6.0
182.02213	2.2
183.01680	2.2
196.81126	1.6
197.02031	100.0
197.11810	1.6
197.80791	19.2
197.82660	0.9
198.02428	2.1
198.03999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60350	0.2
59.01375	0.4
61.98835	0.5
65.03960	0.3
70.44220	0.4
81.03462	0.7
91.01879	0.3
93.03463	0.7
95.01377	0.7
96.96011	0.5
105.57436	0.3
108.02174	3.0
109.02958	4.1
116.92847	1.7
119.01422	0.4
121.02957	0.4
123.00904	1.7
124.01644	0.5
126.90514	1.1
127.02577	0.3
136.01645	2.9
137.02448	38.5
138.02878	0.8
142.57846	0.2
145.17744	0.2
153.05540	0.4
154.71765	0.3
160.84222	10.8
161.84254	2.4
162.83914	27.6
165.01930	100.0
166.02252	2.4
166.99887	0.6
167.99339	1.0
182.00807	0.3
182.02228	1.6
183.01721	1.3
196.81129	0.8
197.04514	1.3
197.06186	0.3
197.11711	0.4
197.80800	15.0
198.04059	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0455
Annotation	Methyl-4-O-methylgallate
Peak:m/z	Relative Intensity
53.05278	0.6
59.37975	0.5
69.23361	3.3
78.01131	0.8
81.87534	0.5
89.00339	1.3
95.01386	14.1
97.02991	0.7
106.00608	1.4
109.02991	0.8
109.75130	0.5
111.00932	0.9
116.04607	0.6
121.02957	17.9
123.00886	69.0
126.90543	1.2
127.97423	0.6
133.16002	0.5
137.02463	0.8
138.03238	16.9
153.01926	1.2
153.05580	15.3
153.09146	0.8
160.84277	0.8
162.83942	2.9
166.99857	48.7
167.99205	0.7
181.01427	1.6
182.02209	100.0
183.01622	0.9
183.02617	0.8
197.04550	32.4
197.80789	1.7
198.04836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0567
Annotation	L-Mimosine
Peak:m/z	Relative Intensity
63.93789	0.1
65.03963	0.2
65.99842	2.0
66.03481	0.2
70.25805	0.2
70.62283	0.2
74.02474	0.6
81.03449	0.3
83.01369	0.2
94.02982	0.6
95.01396	0.6
108.02174	0.4
109.02930	1.0
110.82750	0.2
120.00920	0.3
121.01688	0.3
121.02978	0.3
122.02477	1.2
123.00916	0.3
123.03229	0.4
123.04510	0.2
123.05664	0.2
124.01698	0.2
124.04095	0.9
126.90508	0.3
133.04120	0.2
134.02544	0.2
137.02446	100.0
138.03302	4.2
140.03510	0.3
150.01981	0.8
150.03186	3.9
151.04002	11.3
161.03572	0.6
162.01825	0.1
164.02347	0.2
167.02208	0.4
167.05876	11.9
168.06239	0.3
175.06506	0.2
180.03284	0.1
197.05672	41.4
198.06013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0567
Annotation	Clavaminic acid
Peak:m/z	Relative Intensity
65.03973	0.4
65.62988	0.4
65.99837	2.3
71.05663	0.5
74.02464	0.7
79.53598	0.3
95.01382	0.8
108.02169	0.6
109.02962	1.4
120.00928	0.5
121.01660	0.4
122.02470	1.0
123.03218	0.6
123.04554	0.5
124.04035	0.8
137.02446	100.0
138.03304	3.7
150.01979	0.9
150.03227	3.8
151.04013	10.4
151.05229	0.6
152.03476	0.5
161.03520	0.4
162.09663	0.3
167.05875	12.5
168.06133	0.3
197.05679	39.7
198.06078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0819
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
55.48790	0.6
59.01382	0.8
69.25716	3.8
73.02946	2.0
77.96225	0.6
78.23994	0.7
78.74355	0.8
80.96519	1.1
95.01386	0.9
107.06187	0.8
109.02931	0.7
111.04524	11.2
116.92839	1.3
121.02950	1.5
123.00896	3.0
123.04591	0.7
124.03850	0.7
125.36249	0.7
125.93589	0.9
126.90488	2.0
135.08156	1.7
137.02446	30.8
138.03207	2.3
139.63766	0.8
150.03220	0.8
151.04013	2.7
153.02017	0.9
153.09213	100.0
154.09544	1.7
166.99846	2.9
167.05872	5.0
167.99409	4.5
177.33228	0.8
179.07164	3.8
182.02203	6.3
182.42682	0.7
183.01723	3.7
196.89455	0.9
197.04173	0.8
197.05711	13.3
197.08192	10.1
197.11812	1.3
198.03975	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0819
Annotation	cis-2,3-Dihydroxy-2,3-dihydro-p-cumate
Peak:m/z	Relative Intensity
64.80931	0.7
65.99834	1.0
73.02953	1.3
74.40704	0.7
91.71107	0.7
104.96938	0.7
107.08673	0.7
111.04534	5.7
123.00875	2.9
126.90489	1.1
135.08148	1.8
137.02443	25.0
138.03207	2.8
150.03139	0.7
151.03996	2.9
153.09213	100.0
154.09557	2.5
160.84200	0.8
162.83897	3.2
166.99898	0.9
167.05875	4.1
167.99335	2.4
179.07126	2.4
179.19449	0.8
182.02141	3.5
183.01741	2.0
197.05724	10.7
197.08199	6.2
197.80798	2.6
212.42297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	2.5
65.99825	1.5
66.15508	1.0
69.72851	3.4
80.21441	0.9
95.01395	2.3
97.06589	12.0
99.08173	5.2
107.06123	1.4
115.03954	1.0
116.92847	1.6
117.04869	1.1
121.02932	1.6
122.03743	1.7
123.00906	5.5
123.74792	1.1
125.02425	1.1
125.06110	1.6
126.90511	7.1
136.43944	1.0
137.02448	46.2
137.09747	1.9
138.03239	4.7
142.19356	0.9
150.03256	1.6
151.04004	6.4
151.11327	1.3
153.05550	2.1
153.12854	100.0
154.13200	2.2
154.43906	1.2
154.60222	1.1
160.84210	35.6
161.84241	4.6
162.83917	90.2
166.99892	5.0
167.05856	7.5
167.99406	6.7
179.10774	24.6
182.02206	10.9
183.01715	9.2
196.81119	2.3
197.02016	6.0
197.05786	18.1
197.11772	10.0
197.15550	1.9
197.80788	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63220	0.3
59.01381	0.4
61.98816	1.4
63.04381	0.3
67.44264	0.3
69.29342	0.5
69.29754	1.2
82.00613	0.4
90.91430	0.3
110.00092	0.4
112.04046	0.4
120.99290	0.4
127.82494	0.3
127.93147	1.6
137.02434	0.6
138.02765	1.2
139.00340	0.3
139.03618	0.3
139.99896	3.6
153.01938	1.2
154.01398	0.8
154.95512	1.6
160.84221	5.9
162.83911	14.8
167.99384	83.7
168.99692	0.9
182.00835	1.7
183.01724	100.0
184.02072	2.0
197.79076	0.6
197.80801	8.6
198.04083	28.6
199.04446	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
51.16792	0.4
57.03450	1.2
59.01361	0.5
67.05521	1.6
69.03457	15.0
69.14655	0.7
69.15054	2.2
71.01380	2.2
72.99304	13.9
73.02982	0.4
74.77678	0.4
75.00861	1.1
81.03471	0.6
83.04996	0.6
85.02988	0.6
93.03465	0.5
94.04849	0.3
97.06566	0.6
104.51705	0.4
105.07090	0.9
107.08666	7.8
109.06602	0.9
113.02361	0.5
119.08672	1.5
123.08176	5.3
125.09710	1.3
127.93138	2.0
128.53529	0.4
133.06599	1.7
135.08177	1.6
137.09735	0.9
139.93143	0.5
151.07645	1.3
153.09207	4.1
154.95473	2.7
163.07625	1.8
169.08690	3.5
181.08711	9.0
198.94495	0.5
199.09761	100.0
199.17050	1.2
200.10117	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	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
57.03448	1.0
59.01363	1.7
61.45652	0.5
61.98814	0.6
69.62085	1.7
69.62425	0.9
73.02962	3.0
81.03454	0.9
83.01411	0.8
83.05025	2.0
85.31467	0.7
98.22619	1.0
99.00872	1.3
99.08119	0.8
127.93147	7.6
135.08174	1.7
137.09731	11.8
139.93170	1.8
141.86253	0.8
154.95514	8.0
155.10788	100.0
156.11110	2.3
156.89575	0.6
162.83966	1.2
164.83543	1.1
168.99719	1.3
181.08713	0.9
184.02025	0.8
198.94409	1.6
199.09743	16.9
199.13405	2.9
199.17009	0.9
199.80484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	Decarestrictin J
Peak:m/z	Relative Intensity
50.04272	1.9
55.58533	1.9
58.00599	11.3
59.01378	5.7
60.05035	1.9
60.11927	2.0
61.98819	2.4
69.03469	3.4
70.56960	4.4
71.01369	4.8
73.02943	22.3
84.02168	3.5
97.06564	2.9
104.97080	1.7
107.08714	2.1
109.06597	2.0
123.08171	5.6
125.06101	7.1
125.09731	14.6
127.11284	9.0
127.93157	20.5
135.08209	2.7
137.09720	12.4
139.93134	6.6
141.09206	2.2
143.10753	3.5
151.07637	4.8
153.09201	9.9
154.95541	15.2
155.10774	12.8
161.84306	2.5
162.83910	65.7
163.83960	13.3
164.82216	3.2
164.83612	57.1
171.10278	53.8
175.46408	1.9
181.08733	6.7
198.80771	6.4
198.94464	2.8
199.09764	100.0
199.17140	3.1
199.80487	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.0976
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01376	13.4
61.98824	1.9
69.28992	7.6
71.05003	1.8
73.02936	2.2
78.00980	1.3
78.91916	1.5
95.05032	1.5
96.48825	1.2
98.22747	2.0
99.00881	4.8
99.08165	2.1
111.08155	4.2
113.82666	1.3
116.92820	1.6
125.87323	2.1
127.00345	1.4
127.93163	32.9
137.09726	6.8
139.07671	1.9
139.93121	6.4
147.47147	1.3
154.95509	31.5
155.10782	100.0
156.11078	3.3
157.07567	1.6
157.08716	13.9
161.84201	3.0
162.83907	33.3
163.83975	7.2
164.83607	30.5
168.99681	2.1
184.02113	1.9
198.80821	3.2
198.94456	7.1
199.09761	10.1
199.13394	7.4
199.17027	3.1
199.80527	32.7
199.98819	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	199.134
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
51.00169	0.5
59.01375	1.3
69.14677	1.5
69.15088	1.4
70.00954	0.5
74.06927	0.5
77.55856	0.6
82.16634	0.5
97.29726	0.5
99.00857	0.7
127.93147	3.9
139.93155	1.7
148.58160	0.5
149.19563	0.5
154.95503	4.9
155.10732	0.7
156.27779	0.6
161.48479	0.5
161.84251	0.6
162.83920	13.6
163.83978	1.9
164.83627	13.5
169.12357	5.8
178.02396	0.6
181.12332	19.1
197.11850	1.3
198.80826	1.6
198.94444	1.4
199.13390	100.0
199.80486	15.6
200.13716	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	199.1339
Annotation	(-)-NFX 2
Peak:m/z	Relative Intensity
50.39574	1.0
57.03453	1.4
59.01377	3.1
59.82494	0.9
61.98826	6.8
69.44466	3.0
71.04992	1.4
73.31502	1.3
95.08983	1.3
97.65814	1.1
99.00859	3.2
99.08143	1.8
113.02440	1.3
125.09756	2.1
127.11302	3.8
127.93143	21.9
139.93135	4.4
153.12778	1.3
154.95499	18.8
155.10718	1.2
155.87170	2.3
161.84242	2.1
162.83919	29.0
163.83922	2.3
164.83621	25.6
168.99661	1.6
170.79619	1.3
184.02063	2.8
198.80827	1.8
198.94490	3.7
199.13396	100.0
199.80516	22.1
199.85184	1.4
199.98659	1.2
200.13699	3.1
203.12708	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.3
58.69287	0.6
58.98162	0.6
59.01378	16.1
61.98834	1.1
72.04544	4.4
84.04553	1.0
113.50964	0.6
125.87333	1.4
126.09233	2.6
128.10820	49.8
131.93869	0.5
133.11937	0.6
134.85844	0.5
139.87247	0.8
145.96822	0.6
154.08746	15.8
156.10298	19.3
157.03596	0.9
157.13461	0.7
162.83914	100.0
163.83820	0.7
164.83609	89.5
165.83601	0.7
183.11330	2.8
199.80496	85.1
200.09290	16.6
201.02484	1.7
201.12410	3.0
206.26407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01729	0.9
61.93138	0.5
67.14723	0.3
68.76779	0.4
69.18412	1.1
69.18812	0.8
72.67229	0.4
108.97755	0.4
110.44589	0.4
126.01914	0.4
127.98264	0.4
157.03558	6.1
159.01466	1.8
201.02541	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01704	0.5
63.66196	0.3
70.61517	0.4
70.61839	0.4
87.31662	0.3
88.04044	2.0
94.10648	0.3
99.70768	0.3
115.08772	0.6
124.22540	0.3
154.25554	0.3
156.07777	0.4
157.03560	5.4
159.01518	1.7
175.02776	0.6
201.01018	0.5
201.02557	15.1
201.08826	0.5
201.12379	0.7
202.02725	0.4
215.99033	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.4
62.09605	0.3
70.72031	0.4
70.72372	0.4
80.98693	0.3
99.92574	0.5
104.45020	0.4
141.86856	0.5
145.66522	0.4
157.03564	6.0
157.13599	0.3
159.01518	2.0
184.48987	0.4
201.02559	14.2
201.12419	0.4
202.02831	0.7
223.33678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76495	0.2
59.01379	100.0
60.01715	0.3
65.41556	0.2
70.11027	0.2
71.40949	0.3
82.02986	0.3
83.03335	0.3
83.06157	0.2
85.02951	0.3
87.32849	0.2
88.04057	0.6
88.45019	0.2
103.00388	0.2
110.02489	0.3
111.02847	0.4
113.04617	0.4
114.51032	0.2
115.02518	0.3
116.07252	0.2
140.89398	0.2
145.35616	0.2
157.03566	5.8
158.03746	0.2
159.01498	2.0
168.96335	0.7
177.22957	0.2
182.97827	0.2
198.36432	0.2
201.02551	14.2
201.12512	0.3
202.02715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
50.39009	0.6
50.40997	0.7
51.56913	0.6
53.08577	0.6
57.03447	1.4
58.00579	1.7
59.01381	86.0
60.25797	0.7
61.98839	1.1
66.22935	0.6
71.04945	1.1
85.02947	1.9
99.92579	6.5
116.92845	1.4
125.09736	5.7
125.17119	0.6
127.11284	9.1
127.86989	1.1
137.09770	2.1
139.11301	1.1
141.86844	4.4
141.93127	8.9
155.10793	4.7
157.03578	3.9
159.01488	2.3
159.87851	1.4
163.83972	2.1
164.83623	14.9
165.09213	3.6
165.83690	2.2
166.83350	4.6
171.10260	3.2
180.41829	0.7
183.10219	1.8
199.09787	2.7
200.80591	1.7
200.85197	1.0
200.94598	1.1
201.02557	11.7
201.11330	100.0
201.80234	8.2
202.11688	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03450	6.5
59.01377	34.1
60.92746	0.4
67.00215	0.4
69.03423	0.5
69.67351	1.4
90.82712	0.5
93.40136	0.4
98.22607	0.6
99.92583	5.5
111.08164	5.4
116.92841	0.8
125.09760	1.0
127.04467	0.5
127.87057	0.8
137.09724	2.6
139.11292	96.6
140.11641	2.1
141.86778	1.4
141.93169	7.6
157.03595	1.6
157.12334	1.1
159.01480	1.9
163.83983	1.5
164.83601	10.0
165.83678	1.3
166.83315	3.8
183.10257	41.3
184.10745	0.5
198.28999	0.4
200.80547	1.2
201.02600	5.5
201.11324	100.0
201.80240	5.0
201.95880	0.7
202.11700	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	201.1133
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
57.03438	0.9
58.00593	2.3
59.01382	43.1
61.98823	0.5
70.97543	0.6
70.97880	0.7
71.01418	0.5
83.76571	0.5
86.12253	0.5
99.92588	4.0
114.64299	0.5
125.09727	6.5
127.10347	0.7
127.11301	11.6
137.09705	1.6
139.11296	1.5
141.86804	1.4
141.93469	4.8
155.10779	4.0
157.03577	1.5
157.12355	1.2
157.86891	0.8
159.01515	1.1
163.84036	0.5
164.83627	8.5
164.85959	0.5
165.09204	3.7
165.83618	0.9
166.83319	1.9
171.10220	3.8
178.32520	0.5
182.09740	0.5
183.10208	1.4
185.90225	0.5
199.09860	3.5
200.80576	1.3
201.02568	5.8
201.11336	100.0
201.80228	4.9
202.11542	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	201.1245
Annotation	L-Leucyl-L-alanine
Peak:m/z	Relative Intensity
58.02985	1.4
59.01379	86.7
70.97678	1.0
71.43695	0.6
72.00924	1.9
74.02475	9.2
82.02988	7.4
82.66525	0.6
84.04550	15.9
86.02491	3.3
98.02461	1.1
99.92575	1.5
114.09291	3.2
116.03556	0.9
125.09759	0.9
126.09256	1.1
127.08807	5.0
128.03551	15.4
128.10814	3.1
129.11214	3.5
140.10834	1.9
141.86771	3.1
141.93605	1.4
153.10355	4.4
155.11893	5.6
156.10339	0.8
157.03546	4.2
157.10696	1.3
157.13446	10.0
159.01505	2.6
159.87929	0.7
163.83974	2.6
164.83614	14.6
165.83659	1.5
166.83264	3.1
181.09818	2.1
183.11388	61.7
184.11723	1.9
200.80615	1.6
201.00856	0.6
201.02557	14.5
201.12453	100.0
201.80241	7.5
202.12828	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	201.1496
Annotation	11-Hydroxyundecanoic acid
Peak:m/z	Relative Intensity
51.46458	1.1
59.01378	55.4
71.44781	1.0
93.36990	1.0
99.92580	10.4
105.78061	1.2
113.37457	1.2
116.92905	1.9
127.11293	2.9
129.12805	1.3
139.68042	1.2
141.86829	2.1
141.93127	17.5
155.14423	4.8
157.03575	1.5
157.86740	1.5
159.01587	1.2
163.83940	4.0
164.83604	34.9
165.83676	5.4
166.83372	9.2
200.80475	2.2
200.94611	1.8
201.02560	7.4
201.11441	6.9
201.14964	100.0
201.80196	15.1
202.15294	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	202.051
Annotation	Doryanine
Peak:m/z	Relative Intensity
58.18671	0.3
59.01378	12.5
61.98780	0.5
65.99845	2.8
90.97167	0.4
99.92590	6.5
110.90736	0.4
115.04271	2.5
116.05024	0.6
116.92895	2.1
118.02980	0.6
129.02174	0.4
131.03777	3.0
132.98170	0.5
133.37111	0.4
141.86810	1.1
141.93646	8.8
142.02985	21.2
143.03645	0.8
143.92758	0.4
144.04546	7.0
152.46753	0.4
157.95425	0.4
159.03278	7.4
159.87933	0.4
160.97720	0.8
164.83618	4.1
166.83296	1.6
174.05594	28.2
174.99232	3.6
175.05995	0.7
201.80136	2.3
201.95782	0.8
202.05095	100.0
202.98735	1.5
203.05458	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	203.0826
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
51.86281	0.7
56.73986	0.7
61.57047	0.7
65.79440	0.7
69.71269	0.7
69.79337	2.0
69.79668	0.8
72.00910	19.3
74.02476	41.3
81.93946	0.7
90.17970	0.7
98.22581	0.8
116.05067	100.0
117.05360	2.4
127.00428	0.8
129.05899	0.9
130.06621	2.4
142.06636	25.3
159.09286	18.6
161.04776	0.9
186.05615	3.7
203.08261	61.3
204.08527	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	203.1288
Annotation	(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol
Peak:m/z	Relative Intensity
52.94415	0.2
57.96048	0.3
59.01379	14.3
70.07638	0.3
73.02935	0.3
77.81171	0.2
80.42383	0.2
83.05027	0.4
85.02967	0.3
90.97146	0.4
97.02889	0.3
97.06595	0.5
99.08172	0.4
99.92591	0.5
100.92595	1.0
118.96578	0.3
121.02949	3.6
122.71182	0.3
125.09724	0.9
127.11295	10.8
132.98199	1.3
137.09718	0.5
139.11288	0.6
141.09348	0.3
142.93633	1.4
143.92709	0.8
155.10782	6.7
157.12340	43.6
158.12666	0.8
160.97679	3.3
166.83293	0.6
174.99240	9.7
185.11845	0.9
201.11290	0.6
202.98741	3.7
203.12875	100.0
203.98045	0.4
204.13211	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	203.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.7
59.01380	12.6
61.98804	0.3
64.02628	0.3
64.65150	0.3
69.11386	1.9
71.05024	1.7
72.99290	0.3
73.02940	0.3
82.08040	0.3
90.97126	0.4
97.06600	0.9
98.21896	0.8
99.08156	0.9
100.92624	0.3
104.97794	0.5
113.87490	0.3
118.96620	0.3
125.09727	0.8
127.11295	12.4
132.98189	1.3
134.68784	0.3
137.09712	0.8
139.11330	0.8
143.92691	0.6
144.45532	0.3
147.04492	0.5
155.10785	7.6
156.11099	0.3
157.12338	44.2
158.12656	1.3
160.97696	2.9
174.99246	8.7
175.03918	0.4
185.11859	0.7
201.11316	0.9
202.94229	0.3
202.98732	2.9
203.12872	100.0
204.13219	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
59.32402	0.3
61.98827	1.0
65.43903	0.3
69.43417	1.5
71.01384	0.6
73.02961	0.9
78.91900	0.4
98.22645	0.7
110.73083	0.4
116.05054	2.9
122.03307	0.6
122.83530	0.3
135.15363	0.3
143.86536	1.4
144.04550	52.6
145.04878	1.2
149.02591	0.4
161.04593	0.5
161.87587	0.7
161.97153	1.4
166.83299	1.9
172.04041	100.0
173.04378	3.3
174.99156	0.4
175.99524	0.8
188.79689	0.4
203.79680	0.4
203.98151	2.2
204.06715	0.6
205.01485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0354
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01871	8.6
57.03451	5.1
59.01382	93.0
63.11353	1.7
67.01880	4.1
68.99834	10.3
69.62860	6.5
71.01382	87.2
72.99315	38.9
73.02945	15.3
75.00878	31.9
83.01396	15.9
84.99347	2.7
85.02948	24.8
87.00874	43.8
88.98787	2.4
89.02449	13.9
96.99333	6.9
99.00883	58.4
99.01531	3.2
101.02450	9.1
103.00374	8.4
111.00877	27.4
112.98805	47.0
115.00376	100.0
117.01950	15.1
121.93601	2.1
124.98833	11.4
125.02494	3.0
127.00408	8.8
129.01944	24.7
130.89101	1.8
131.04631	4.8
133.01373	2.1
142.99846	24.4
145.01425	19.0
154.99902	15.4
157.01575	1.9
173.00945	9.1
175.02477	13.5
205.03555	7.9
205.09308	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	205.0353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03871	2.9
55.01864	9.8
57.03447	5.9
59.01380	95.6
61.43927	2.6
68.99815	9.6
70.51431	4.4
71.01379	89.5
72.99305	52.3
73.02956	16.1
75.00873	34.2
82.00541	2.6
82.04616	2.6
83.01377	16.3
85.02952	8.5
87.00880	43.1
89.02446	16.6
96.99318	5.7
99.00882	54.6
101.02449	10.6
101.07053	2.6
103.00352	5.6
111.00881	25.7
112.98808	49.5
115.00373	100.0
117.01951	16.6
124.98808	14.2
127.00368	10.5
129.01935	17.4
133.01456	3.2
135.04535	90.7
136.04860	3.5
142.99873	21.8
145.01450	24.0
153.26019	2.9
154.99901	13.7
173.00914	11.5
175.02483	8.4
205.03517	9.1
205.15941	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	205.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
62.31995	0.2
66.09554	0.2
66.92352	0.2
67.43659	0.2
75.00835	0.2
88.04043	1.0
89.03983	0.5
95.57841	0.2
107.05058	0.5
117.03448	1.2
133.02975	1.2
134.03757	1.4
135.04524	100.0
136.04860	2.5
159.04482	0.3
161.02435	3.8
161.06142	0.3
163.03993	0.3
177.05582	0.8
187.04027	0.4
205.05051	4.1
205.15909	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0505
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74723	0.2
52.96111	0.3
55.01862	0.6
56.25060	0.3
57.03439	0.6
59.01378	5.7
68.99819	0.4
70.24200	0.3
70.24522	0.4
71.01380	5.3
71.05010	0.8
72.99306	2.4
73.02942	1.3
75.00878	2.1
79.47680	0.2
83.01382	1.4
85.02956	2.3
85.06590	0.4
87.00871	3.8
88.40060	0.2
89.02448	0.5
89.03986	0.5
96.99313	0.3
99.00892	2.4
99.04514	0.7
101.02463	1.9
103.00340	0.5
107.05006	0.4
111.00893	3.5
112.98840	1.4
113.03578	0.9
113.06129	0.3
114.01953	0.6
115.00372	5.5
115.03998	0.8
115.07664	0.3
117.01937	0.8
117.03471	1.2
124.98806	0.6
125.02451	4.9
127.00410	0.7
129.01939	0.8
131.04623	1.9
133.02988	1.1
134.03769	1.6
135.04526	100.0
136.04880	2.0
137.02567	0.3
142.99858	1.1
143.07146	0.3
145.01407	1.5
145.05067	0.4
154.99867	1.1
159.04497	0.6
161.02466	3.8
161.06050	0.3
173.00894	0.4
175.02510	0.4
177.05585	1.1
187.02477	0.6
205.03435	1.3
205.05083	3.6
205.07187	1.0
205.16029	0.5
214.86461	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1233
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.01879	0.8
55.75869	0.7
57.03168	0.8
57.03447	13.6
59.01365	2.9
62.93762	0.8
65.38963	0.7
68.51306	0.6
69.03436	1.0
69.69115	0.7
71.01376	0.9
71.04996	0.8
72.99294	0.8
74.52647	0.7
79.97025	0.6
83.05016	1.1
85.06590	4.5
87.00861	0.7
91.05509	1.2
93.03442	1.4
95.05038	1.5
96.02133	1.1
97.02943	2.2
107.05032	35.6
108.31405	0.6
109.06567	2.1
111.04568	0.6
115.00381	1.2
116.36492	0.7
119.05033	4.2
119.43706	0.7
120.05756	1.6
121.06598	2.4
122.03737	2.0
123.04517	1.6
123.08207	1.4
134.07326	0.8
135.04501	2.6
135.08186	5.6
136.05289	1.3
137.06081	2.9
145.10245	1.3
145.44673	0.7
147.08177	4.5
148.08951	1.6
149.04889	1.2
149.06084	21.1
161.02408	0.7
161.09775	1.7
162.06859	1.6
163.07628	1.0
163.11288	38.9
172.09027	0.7
175.07649	2.8
177.12830	7.2
187.11302	12.5
189.09143	1.3
190.10023	7.1
205.12329	100.0
206.12677	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	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
54.38026	0.8
58.02976	34.8
59.56900	0.9
69.45263	4.1
70.02982	13.5
70.88434	0.8
72.00903	6.1
76.11891	0.8
78.47395	0.8
91.05534	28.4
98.21928	2.0
99.72869	0.8
103.05554	1.7
117.21828	0.9
127.84027	0.8
131.63864	0.8
147.04527	40.1
148.04884	1.7
162.09232	1.3
164.07169	100.0
165.07524	1.9
206.08220	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54391	0.7
58.02977	36.3
69.35129	3.2
70.02984	12.7
72.00916	5.8
73.65503	0.7
81.70578	0.6
91.05537	26.7
102.63499	0.7
103.05521	1.8
117.09908	0.7
129.81201	0.7
147.04527	36.9
148.04877	1.2
162.09254	1.7
164.07170	100.0
165.07506	2.4
206.08221	43.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0822
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
50.17249	1.3
57.35471	1.2
58.02978	31.7
58.21959	1.1
59.01380	8.6
61.98814	2.4
69.73469	4.3
70.02982	13.0
71.01394	1.7
72.00897	4.6
83.15170	1.1
91.05536	16.8
94.12875	1.1
96.48975	1.0
147.04533	41.9
152.58940	1.2
155.35292	1.2
162.09221	1.5
164.07162	100.0
165.05505	4.1
165.07460	1.9
177.01904	3.5
192.04259	4.3
203.32132	1.1
206.04510	2.0
206.08211	41.4
206.78883	1.5
207.06654	2.2
207.08565	1.3
213.38387	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26921	0.6
57.39752	0.7
59.01371	8.2
59.45111	0.6
61.98841	1.7
69.45522	0.7
71.01413	0.8
71.44767	0.6
74.28614	0.7
77.03972	0.7
78.91901	1.0
85.02953	0.8
85.21957	0.7
93.03490	2.1
93.81882	0.6
95.05035	2.0
95.31070	0.6
95.49815	0.6
101.02449	0.7
105.03471	1.5
113.68079	0.8
121.02912	3.5
123.04512	5.0
129.01950	0.9
147.03001	1.4
147.04559	1.4
149.02452	15.8
163.04007	1.0
165.05608	0.9
177.01926	100.0
178.02269	1.6
178.98566	0.9
191.03433	1.8
192.00618	2.3
192.04280	96.2
193.04640	2.1
205.90053	0.7
207.06596	26.8
208.06828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
50.96754	0.2
53.41218	0.2
59.01388	0.8
66.01101	0.2
70.86423	0.4
77.04005	0.4
91.01909	1.1
112.04052	0.4
117.33327	0.3
120.01285	0.3
120.02173	11.7
121.02956	100.0
122.03265	1.5
136.01617	0.7
164.94119	0.4
195.53047	0.3
208.78453	0.3
209.04501	13.3
210.04732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Vanilpyruvic acid
Peak:m/z	Relative Intensity
59.01413	1.4
66.01147	0.4
70.89219	0.3
73.66827	0.3
80.91706	0.5
81.03470	0.4
83.05051	1.4
84.04546	0.3
85.90918	0.3
91.01916	0.7
93.03505	0.5
95.05030	0.4
96.00971	0.4
108.02169	0.4
112.04066	1.3
116.01095	0.3
118.94277	0.4
120.02178	9.1
121.02959	100.0
122.03265	1.5
135.04517	1.8
136.01633	0.9
137.02420	0.5
151.02676	0.5
161.02354	0.5
163.03964	0.8
164.94026	0.7
165.01941	0.9
175.03999	0.5
179.03458	0.4
184.85741	0.3
191.01735	0.6
194.02122	0.4
194.05751	0.4
208.78539	0.4
209.02734	1.3
209.04449	13.0
209.07820	0.6
210.04645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.7
69.41133	1.2
78.95892	1.2
80.91656	0.3
83.11519	0.4
92.99755	0.5
112.04037	0.8
113.06059	0.8
120.02199	1.5
121.02959	17.6
123.99673	0.3
141.09224	36.2
142.09550	0.9
153.03191	0.3
153.05342	0.7
154.03249	0.3
154.47571	0.3
155.06918	1.3
161.05835	0.5
179.06866	0.8
181.08466	19.3
183.10010	4.2
191.06833	0.5
194.00453	0.4
195.06380	0.9
197.07954	0.7
199.09503	0.4
209.07942	100.0
210.08235	1.8
225.07404	3.4
227.08974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64808	0.4
56.98051	0.8
59.01402	1.3
64.93836	0.4
67.07082	0.3
67.70558	0.3
71.43060	0.4
80.91711	0.6
81.03487	1.0
96.00935	0.4
107.05032	1.0
108.02180	0.6
112.04061	1.4
113.34776	0.4
120.02168	2.9
120.78316	0.4
121.02959	32.6
122.03326	0.5
122.38914	0.5
123.04529	4.4
136.01688	0.6
146.30060	0.4
148.01656	0.7
151.04007	27.3
152.04341	0.6
154.38367	0.4
161.02446	2.2
164.94179	0.4
165.05580	1.3
179.03497	100.0
180.03812	2.3
193.05069	1.3
194.00436	1.6
194.05838	98.3
195.06139	1.9
209.02715	1.1
209.04587	3.7
209.08186	35.6
209.11513	1.0
210.08531	1.0
210.71289	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
51.71302	0.6
53.53025	0.6
57.03452	3.9
59.01379	100.0
63.86524	0.7
64.50855	0.7
64.85086	0.7
69.45326	2.3
69.45732	1.1
77.29917	0.6
81.03454	1.3
88.82348	0.7
95.22599	0.6
96.96027	0.8
97.06608	2.9
103.57819	0.7
109.06606	4.8
112.04086	0.7
120.02205	2.4
121.02965	20.7
165.12852	5.1
188.41173	0.7
209.04518	2.1
209.11813	18.2
209.13675	1.1
210.12228	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1183
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
50.79782	1.3
52.34276	1.9
57.03443	2.1
59.01384	11.8
61.98830	8.3
69.03456	13.7
69.35796	5.5
71.05003	2.1
71.53197	1.7
74.53935	1.6
80.91674	3.9
83.05025	5.9
93.03407	2.1
96.96015	7.9
109.06628	1.5
111.08164	3.2
112.04041	4.1
118.94270	1.8
120.02193	9.9
121.02963	100.0
153.09303	2.8
163.11343	4.8
165.09221	3.5
165.12848	15.8
173.09712	1.6
181.12361	12.4
191.10776	15.3
194.93338	1.5
208.78607	2.8
209.04504	9.7
209.05916	5.6
209.11832	92.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	210.965
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35690	0.3
67.01893	7.5
81.98162	0.4
82.37870	0.3
85.02950	1.6
111.00880	100.0
111.83915	0.4
112.01203	1.4
136.98796	2.2
143.11378	0.4
148.96458	1.1
166.97516	36.7
189.44513	0.4
192.95464	3.5
195.10617	0.3
196.68810	0.4
210.96492	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	210.9651
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23341	0.3
59.01369	1.3
65.00298	0.4
67.01890	7.7
69.76595	0.4
69.76926	1.4
78.95913	1.7
79.47940	0.3
81.86848	0.3
85.02947	1.5
96.96989	0.6
111.00886	100.0
112.01192	1.4
112.98814	0.8
121.68691	0.3
130.08759	1.3
136.98798	1.6
142.99861	1.3
148.96504	0.8
151.05154	0.6
166.97525	41.0
167.97826	0.4
168.92924	0.5
168.99954	0.6
173.00859	0.4
185.03075	2.1
192.95439	4.1
210.96524	3.5
211.00743	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0248
Annotation	5-Carboxyvanillic acid
Peak:m/z	Relative Intensity
63.02396	4.7
65.00323	17.2
66.00676	0.3
74.20292	0.2
77.50027	0.2
83.01385	9.2
83.01891	0.5
107.01389	24.4
108.99297	0.6
115.62003	0.2
123.00838	0.3
151.00369	100.0
152.00729	1.9
169.01408	1.7
173.83574	0.2
178.99857	6.6
183.02989	0.6
198.85246	0.2
211.02469	18.1
211.13412	0.6
212.02870	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0614
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
55.28225	1.0
55.55694	0.9
56.15223	1.0
59.01381	33.8
61.59491	1.0
62.88414	1.1
69.91672	2.9
78.95911	6.3
86.36343	1.0
89.90895	0.8
91.32750	1.0
94.23110	1.0
98.22501	1.5
103.57122	1.0
103.92029	1.6
111.00874	3.2
116.24126	1.0
129.05565	2.9
134.03751	14.9
136.01665	66.8
149.06064	2.5
151.04012	100.0
151.91806	1.3
152.04347	2.0
153.05519	1.6
156.93867	1.7
158.80702	1.2
163.04001	1.1
166.91084	8.8
166.93880	1.9
167.05498	1.9
181.05014	2.0
210.91330	3.0
211.06081	9.7
211.13376	1.8
219.10873	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0764
Annotation	PINOSYLVIN
Peak:m/z	Relative Intensity
59.01365	0.8
65.66853	0.3
68.99809	0.3
71.41696	0.4
78.95897	0.6
93.03436	1.4
95.05000	0.7
117.03397	0.4
121.38576	0.3
123.04527	1.4
124.93709	0.4
151.89584	0.3
151.91751	0.3
166.02701	1.0
166.91074	0.9
166.93932	0.3
167.08720	0.4
167.10779	0.4
179.03561	0.3
181.01471	0.4
181.05003	0.5
182.07344	0.8
183.08122	1.4
196.03720	0.5
199.71823	0.3
209.06096	0.9
210.04800	0.6
210.06854	27.7
211.07640	100.0
212.08009	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	212.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.6
70.23535	0.6
71.01373	0.6
78.95897	0.6
84.08198	0.3
87.85937	0.3
95.92960	0.3
99.92599	0.5
111.00883	1.8
112.01208	1.8
114.05611	0.3
130.08746	100.0
131.09071	1.3
143.01999	0.3
145.78793	0.3
147.96619	0.7
154.06221	1.3
157.00284	0.3
166.00266	0.5
167.97917	0.7
170.00078	0.4
172.00960	0.9
186.03186	0.9
212.00958	1.7
212.07423	0.4
212.09166	2.2
212.98926	0.3
213.00815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1134
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03448	25.9
59.01362	8.5
64.91383	2.5
66.47778	2.0
69.03452	4.9
69.97623	2.1
83.05026	8.6
85.06592	18.6
101.99062	2.1
102.75041	1.9
121.64620	2.3
125.09734	29.5
133.10289	2.5
140.35526	2.6
151.11295	100.0
153.09274	5.0
155.10774	3.4
167.10815	2.9
168.91193	2.0
169.12343	58.0
170.12621	2.6
177.90265	3.9
185.11800	4.5
195.99370	2.1
197.99190	3.7
213.11310	32.4
213.14735	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	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03446	3.2
59.01384	1.9
66.84956	0.4
69.03459	0.9
72.36703	0.4
83.05031	0.9
85.06592	1.6
87.00848	0.4
89.83849	0.4
97.06612	0.7
111.08168	2.7
111.16690	0.4
123.08163	36.8
124.08489	1.0
125.09723	5.3
125.87400	0.4
127.11340	0.5
133.10197	0.5
134.42273	0.5
137.09723	6.1
139.11290	64.1
140.11630	1.1
149.09674	0.4
151.11285	9.2
152.08470	0.4
153.09207	0.9
155.10834	1.2
155.44157	0.4
167.10770	2.3
169.12320	5.8
177.90280	1.4
185.11810	2.7
213.11313	100.0
214.11563	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	213.1133
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
57.03419	5.9
59.01365	6.5
61.98816	3.5
70.59233	3.2
72.02127	2.0
79.03001	1.9
85.00426	3.5
85.02949	2.6
98.03734	3.0
105.76141	1.5
111.70881	1.6
125.09708	8.0
125.87316	4.9
127.87048	1.7
141.09212	6.2
143.86502	6.0
151.11272	5.6
153.09283	2.4
161.87590	4.7
167.10742	4.0
169.12363	3.4
177.90320	6.9
195.10258	6.8
197.99182	2.5
213.11308	100.0
213.14873	5.5
214.11636	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	214.1085
Annotation	(-)-Monascumic acid
Peak:m/z	Relative Intensity
55.01883	0.9
57.03425	2.9
63.27448	0.8
63.84394	0.6
63.88799	0.7
70.81155	1.4
72.04543	17.7
73.52641	0.7
82.02984	1.3
82.06621	0.9
83.01373	1.9
84.04550	1.4
86.02468	2.6
86.23175	0.8
91.63041	0.8
105.01931	3.0
114.19461	0.7
116.05048	2.5
121.02982	1.1
124.11293	0.9
128.03525	1.1
133.02928	2.3
135.04524	2.6
137.02428	3.5
138.03241	8.6
140.10806	5.2
142.06616	1.5
142.12375	100.0
143.12697	1.9
144.00893	1.8
149.02435	5.6
161.02409	6.7
162.02895	1.1
168.03024	10.0
168.10298	40.1
170.11865	46.2
171.09224	1.3
171.12239	0.9
196.02486	3.6
197.12991	5.9
214.03578	10.1
214.10837	44.1
215.01003	12.1
215.08228	0.9
215.11320	0.8
215.11827	1.0
215.13971	9.2
219.57033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0925
Annotation	Isoketocamphoric acid
Peak:m/z	Relative Intensity
58.30223	0.6
59.01374	4.8
61.31116	0.6
68.14739	0.6
71.01382	1.2
71.41297	0.6
76.11700	0.6
80.91686	0.9
89.02418	1.7
122.89426	2.3
125.09708	5.1
127.11307	3.6
127.87062	0.8
135.68378	0.7
143.10803	5.5
144.00917	10.6
153.09209	1.5
168.88882	0.7
171.02040	3.6
171.10272	88.3
171.97028	2.3
172.00333	1.7
172.10602	1.7
173.06131	1.0
177.90326	1.2
178.67975	0.8
178.90279	1.1
186.71359	0.7
186.89755	1.8
215.00993	100.0
215.07213	3.7
215.09221	72.8
215.95932	1.6
216.01302	3.1
216.09590	1.6
223.75793	0.7
238.50217	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1401
Annotation	L-Valyl-L-valine
Peak:m/z	Relative Intensity
56.18987	0.8
58.02964	1.0
59.01382	3.9
61.89205	0.7
63.83128	0.8
63.98880	0.8
71.01389	1.4
71.04860	1.1
72.00913	2.4
74.02478	9.3
82.02981	7.7
84.04543	17.2
86.02471	4.9
101.06026	0.9
121.81326	0.9
122.89410	1.8
125.87390	1.1
126.37530	0.8
127.87006	1.5
128.03552	12.5
128.10796	2.6
140.10825	1.1
141.10353	3.9
144.00925	13.2
154.12387	1.8
167.11884	2.3
168.07103	0.8
168.08978	0.9
169.13419	4.5
171.02037	2.9
171.15042	8.9
171.97037	3.5
172.00494	1.4
195.11426	1.9
197.12955	56.8
198.13277	1.3
215.00984	96.6
215.06964	4.9
215.13995	100.0
215.95926	1.0
216.01208	2.7
216.14333	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	215.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18987	0.8
58.02964	1.0
59.01382	3.9
61.89205	0.7
63.83128	0.8
63.98880	0.8
71.01389	1.4
71.04860	1.1
72.00913	2.4
74.02478	9.3
82.02981	7.7
84.04543	17.2
86.02471	4.9
101.06026	0.9
121.81326	0.9
122.89410	1.8
125.87390	1.1
126.37530	0.8
127.87006	1.5
128.03552	12.5
128.10796	2.6
140.10825	1.1
141.10353	3.9
144.00925	13.2
154.12387	1.8
167.11884	2.3
168.07103	0.8
168.08978	0.9
169.13419	4.5
171.02037	2.9
171.15042	8.9
171.97037	3.5
172.00494	1.4
195.11426	1.9
197.12955	56.8
198.13277	1.3
215.00984	96.6
215.06964	4.9
215.13995	100.0
215.95926	1.0
216.01208	2.7
216.14333	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	218.1034
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
53.19413	0.5
59.01382	7.4
60.01707	1.7
70.05785	0.4
70.92806	0.7
71.01008	0.9
71.01385	11.8
71.05022	19.9
71.14671	0.5
72.00893	0.7
79.92403	0.5
88.04044	100.0
99.04526	5.8
104.62762	0.5
116.07176	2.1
116.34264	0.5
129.05602	0.9
146.08235	44.8
147.08560	0.9
174.99236	0.6
175.99611	1.2
215.78770	0.5
218.00737	1.8
218.10342	28.8
233.32927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.6
60.01711	1.7
71.01011	0.8
71.01381	11.2
71.05019	19.5
71.43516	0.5
72.00917	0.7
81.86149	0.4
85.78934	0.5
87.79961	0.5
88.04042	100.0
89.04382	0.6
99.04514	5.0
116.03532	0.7
116.07187	2.6
129.05569	0.5
146.08234	45.3
147.08615	1.0
156.65230	0.4
163.56444	0.4
175.99576	1.4
199.63661	0.4
218.00642	1.5
218.10332	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.7
60.24754	0.6
61.01805	0.7
61.98829	17.3
66.03480	1.1
68.01416	8.9
69.03466	2.0
69.12812	3.7
73.02939	1.1
79.05525	2.9
81.02202	3.8
82.02982	2.5
83.05022	1.2
84.04549	0.9
93.03440	0.5
94.03001	5.0
94.06622	1.1
96.04554	100.0
97.04893	1.2
105.07088	1.1
107.03853	0.8
107.05028	13.9
109.06567	1.3
110.06097	1.8
112.07690	12.0
116.20336	0.5
123.08170	24.0
124.08487	0.7
133.06575	0.9
139.88876	0.9
150.08076	1.2
150.09247	19.8
160.84221	13.4
164.10831	4.4
166.86482	0.7
176.10875	0.7
178.98523	0.9
183.87878	0.7
184.87553	2.7
202.12277	0.6
202.88667	3.0
219.84488	29.5
219.97652	1.0
220.06067	0.7
220.13393	4.8
220.84406	1.4
220.99623	1.1
221.11955	2.0
221.15550	0.6
222.85007	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	4.9
57.40471	1.1
59.01379	97.1
61.98801	1.8
62.40027	1.2
69.03452	3.7
71.01369	3.5
71.05041	2.3
72.19391	1.1
73.02943	9.2
85.02970	2.8
86.96915	1.2
89.02444	2.5
95.05029	1.9
96.21571	1.0
97.02937	2.3
97.06561	1.2
101.02429	2.5
108.02189	4.1
109.02934	3.0
110.03778	1.6
113.02417	1.8
121.06578	2.0
122.03757	2.7
123.04526	6.1
123.08141	4.2
125.06073	2.9
133.02907	1.9
134.03676	1.5
135.04536	2.2
138.06850	2.7
147.08163	2.6
148.05286	1.8
149.06055	6.2
149.09691	1.6
151.07660	8.0
161.02444	3.1
161.04657	5.2
161.05952	1.3
161.09708	15.3
162.83925	4.0
163.07629	2.8
164.08385	3.9
165.05530	2.4
165.09192	4.8
170.05838	3.0
177.05650	5.3
177.09207	3.0
177.12871	3.4
178.09972	4.3
178.98517	9.6
179.09283	1.9
179.10793	22.0
184.87772	1.5
188.08405	4.0
191.07121	4.3
203.10815	13.8
206.09489	38.4
220.84712	1.3
220.99547	10.9
221.02605	2.2
221.04533	2.5
221.11821	100.0
221.84216	9.7
222.12109	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	221.1546
Annotation	Kobusone
Peak:m/z	Relative Intensity
53.41957	0.1
59.01382	1.8
60.67635	0.1
61.98818	0.1
71.01383	0.1
73.02938	0.1
81.33987	0.1
105.19501	0.1
109.12853	0.1
124.04131	0.1
127.07674	0.3
136.97453	0.1
148.05273	0.3
149.06129	0.3
151.07639	0.1
161.04593	0.2
162.63847	0.1
162.83908	0.3
164.08420	1.7
165.09158	0.2
178.98543	0.2
194.89908	0.1
205.12341	1.3
206.12700	1.0
207.13876	0.5
220.14696	3.1
220.84558	0.1
220.99590	0.2
221.15451	100.0
221.84142	0.4
222.15787	3.4
235.13364	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.6
57.03211	1.3
57.03451	17.3
59.01380	23.8
67.01875	1.8
68.99840	1.8
70.46412	1.2
70.46734	1.7
71.01385	31.2
72.99303	6.6
73.02954	7.0
75.00887	6.1
78.95903	2.8
83.01388	17.2
84.02159	1.1
85.02953	100.0
86.03270	1.8
87.00862	6.8
88.01683	1.2
89.02451	2.5
98.22583	1.3
99.00879	20.3
101.02448	17.3
103.00391	1.9
103.04025	1.8
111.00887	55.1
112.98821	31.2
113.02428	2.0
115.00375	3.1
117.03831	1.7
119.05041	1.3
129.01060	2.0
129.01947	27.1
135.04797	1.8
143.03514	2.2
145.01405	2.3
146.93434	1.7
147.03003	6.5
148.86336	1.2
159.02927	1.1
161.04520	3.3
164.00995	1.0
180.06578	1.2
187.02426	2.5
205.03549	39.9
208.03555	1.2
223.04587	38.2
223.08015	1.7
225.72302	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24592	1.3
50.48980	1.0
51.88366	1.0
55.01871	5.9
56.01370	1.1
57.03203	1.6
57.03449	21.1
59.01376	18.3
60.01699	1.3
68.99835	1.0
71.01378	13.6
71.07832	1.6
72.99306	4.7
73.02928	3.9
75.00872	6.9
78.95908	1.5
80.80121	1.0
83.01389	11.0
84.02135	1.3
85.02951	100.0
86.03311	1.1
87.00867	5.9
87.02731	4.3
87.84943	1.2
89.02410	1.2
91.08527	1.0
97.42518	1.2
99.00887	3.9
99.29754	1.1
101.02444	13.4
103.00375	2.5
103.04014	2.4
109.73252	1.0
111.00881	45.8
112.98816	2.4
116.62486	1.1
117.03781	3.8
120.47026	1.1
125.02470	1.3
129.01944	26.6
129.02826	2.3
133.05022	1.2
135.01183	1.1
135.04881	5.5
140.01192	1.2
143.03526	1.7
147.02986	6.2
161.04527	1.8
187.02464	1.9
205.03529	41.5
223.04581	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
55.81874	1.6
57.03449	22.3
59.01382	24.0
59.13673	1.7
65.75297	1.3
67.01894	2.4
67.96136	1.4
68.99806	2.0
70.15523	3.1
71.01381	35.0
72.99295	7.8
73.02943	6.5
75.00874	7.2
78.95913	2.9
78.98607	3.8
80.96497	1.3
83.01388	18.9
85.02953	100.0
87.00893	7.4
87.01321	1.4
90.44598	1.6
91.02231	1.8
92.64487	1.4
93.22942	1.5
99.00881	26.8
101.02446	14.8
103.00357	2.1
103.04005	2.5
110.06249	1.4
111.00886	52.7
111.01656	2.5
112.98818	47.8
115.00367	4.2
123.77232	1.9
125.02434	1.8
129.01941	27.1
145.01450	7.1
147.02995	5.3
161.04565	2.0
174.92580	1.5
181.01759	3.8
187.02373	2.2
205.03542	36.5
223.02711	2.5
223.04588	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	4.9
55.59298	0.7
57.03446	18.8
59.01377	11.7
68.99813	0.8
70.33930	1.4
71.01379	11.8
72.99290	3.7
73.02938	2.2
75.00877	5.7
78.95899	1.6
79.59521	0.7
83.01391	11.0
84.02161	1.4
85.02951	100.0
86.03280	1.1
87.00884	3.4
88.01654	1.0
98.22012	0.9
101.02448	12.5
103.00381	2.0
103.04011	2.0
111.00882	43.3
112.01208	0.7
128.66969	0.7
129.01942	25.0
143.03511	0.8
147.03004	5.2
161.04558	2.1
169.05330	0.8
187.02493	2.4
202.83601	0.7
205.03535	42.3
223.04584	41.5
224.04875	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0611
Annotation	cis-sinapic acid
Peak:m/z	Relative Intensity
50.07277	1.0
51.03690	0.9
52.57951	0.9
53.53933	1.1
54.12338	0.9
59.01384	5.5
93.03455	15.6
94.19128	0.9
121.02959	27.8
134.03772	1.1
135.04530	10.9
137.02426	1.6
141.01712	1.7
148.01660	1.0
149.02446	53.8
150.02759	1.3
151.03986	1.5
152.01128	10.8
155.03291	1.0
163.04012	17.8
164.04794	49.3
165.01947	9.3
167.03502	1.5
169.05069	4.1
179.07135	14.3
193.01418	64.0
194.01816	1.3
208.03766	100.0
209.04129	2.2
223.02629	2.4
223.06111	63.3
223.13402	1.2
224.06378	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	223.0612
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
50.76005	1.1
57.03450	2.6
59.01380	13.3
66.06892	1.2
69.96744	1.4
69.97079	2.7
71.01391	2.9
72.99310	1.8
74.99035	1.2
75.00883	1.1
81.09757	1.2
83.01414	2.4
85.02958	15.7
87.00919	1.5
89.03743	1.3
93.03467	9.4
111.00892	6.3
112.79569	1.4
118.97181	1.6
119.05096	2.0
121.02956	24.3
129.01978	3.8
135.04526	11.7
135.08186	2.1
137.02443	3.2
141.01729	1.4
149.02441	48.7
151.02768	1.3
151.04030	1.5
152.01120	13.8
157.04292	1.5
163.04022	15.3
164.04800	38.4
164.06122	2.2
165.01973	10.2
167.03551	2.0
169.05161	5.3
179.07118	15.4
181.04533	5.0
193.01408	58.6
195.06111	1.9
205.03627	4.5
207.03139	1.7
208.03764	100.0
209.04161	1.9
223.02609	2.7
223.06087	59.6
223.13564	2.3
224.06378	1.8
235.75781	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0975
Annotation	2,4-Dihydroxy-6-pentylbenzoate
Peak:m/z	Relative Intensity
54.16681	2.0
59.01377	24.7
61.93211	1.8
61.98823	6.0
69.57233	4.7
69.57616	4.8
93.32619	2.0
133.10185	2.3
135.11812	28.9
141.01694	6.2
141.86807	2.6
159.46817	2.0
160.03069	2.1
161.09721	3.3
176.83699	4.2
179.10771	100.0
193.01450	2.0
208.03731	4.3
223.02753	6.9
223.07425	2.5
223.09720	3.7
223.13318	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	223.134
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
57.03423	1.9
59.01381	11.4
59.92551	0.8
60.79272	0.9
61.98822	1.0
69.03450	7.0
69.42681	3.9
71.05009	3.4
95.05058	1.5
103.97258	1.2
125.09709	1.3
135.11783	1.0
141.01701	2.8
141.86833	1.2
149.09729	1.1
151.04041	0.9
161.13365	1.1
164.83603	0.9
166.06317	2.7
167.10744	8.2
176.83722	3.2
177.12833	1.6
179.10780	3.1
179.14412	10.0
195.13899	29.6
205.12338	21.4
223.02859	3.4
223.13388	100.0
224.13687	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	225.0517
Annotation	3-Nitro-L-tyrosine
Peak:m/z	Relative Intensity
50.31232	0.5
59.01372	1.2
63.85065	0.4
64.01914	0.9
65.99850	8.3
66.03487	1.2
69.77505	0.6
69.77843	1.4
78.03496	0.8
83.01385	1.3
93.03458	1.2
94.02995	2.4
95.01385	0.8
96.96023	0.6
102.01976	1.4
106.02991	0.8
109.02964	1.2
120.00906	0.8
122.02494	8.5
122.03786	1.0
123.00882	1.7
134.02521	2.5
137.02446	44.4
138.03247	8.1
149.02396	2.9
150.02042	6.4
150.03218	100.0
151.03587	1.5
161.01237	0.8
162.01968	10.6
165.01941	1.6
168.03055	0.5
178.01437	0.8
180.04243	1.6
183.04570	0.5
195.01529	0.7
195.03271	1.1
195.05293	10.7
195.06625	1.1
210.05351	1.0
225.05180	96.7
226.05405	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	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61634	1.2
59.01372	4.6
61.98820	1.2
71.39704	1.1
79.48039	1.1
83.20790	1.0
93.03432	2.4
101.02433	1.2
109.02941	1.3
126.90470	1.7
137.02452	22.3
141.86729	1.6
143.86522	3.6
151.04001	1.2
153.05563	1.5
165.01930	91.1
166.02299	1.8
177.14890	1.2
178.83385	10.7
179.03462	1.6
180.04286	100.0
180.74937	1.0
181.04646	1.5
195.02992	39.2
195.06624	98.7
196.07056	1.8
208.97668	1.8
210.05330	53.7
215.95422	1.0
224.90625	2.0
225.00862	1.6
225.07669	54.9
225.11127	2.2
225.14819	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36890	0.4
54.68964	0.4
57.03455	0.7
59.01381	57.3
62.16151	0.4
65.06686	0.5
70.97933	0.4
75.00879	1.1
75.24291	0.3
78.77402	0.4
93.03457	0.6
97.06606	2.1
106.04215	0.6
126.90528	0.8
134.03752	100.0
135.04233	1.6
135.08145	0.8
137.02513	0.8
139.04012	0.5
143.86569	0.4
147.08167	2.3
149.06091	60.7
150.06412	1.3
165.01945	0.7
165.09184	0.8
167.03473	0.8
177.01935	1.6
178.83463	2.1
180.04324	0.6
181.12303	0.6
192.04262	1.1
195.02977	2.2
196.18625	0.5
210.05374	2.2
224.90508	0.4
225.02425	0.5
225.07808	10.7
225.11304	22.2
226.11635	0.6
228.61830	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10120	2.5
51.02201	2.2
59.01380	19.3
61.98813	7.8
69.00692	2.8
79.76545	2.6
81.55101	2.5
86.37254	2.1
93.03458	3.0
96.96001	2.9
97.02950	7.8
99.00873	3.5
101.02486	2.8
109.06618	4.4
110.03714	6.7
125.09676	2.9
126.90496	7.6
137.02420	4.5
143.86533	5.4
146.59976	2.1
160.68161	2.2
163.11234	7.3
178.83394	14.0
181.12389	26.0
182.98265	3.6
183.10233	6.9
195.06578	2.7
197.11855	13.9
207.10248	59.0
224.90547	5.9
225.11331	100.0
225.14705	3.8
225.92726	3.3
242.56049	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51674	1.8
59.01382	20.6
61.98826	2.4
67.09706	1.9
69.03458	1.8
69.41242	3.9
69.41636	3.3
80.02686	2.9
81.03452	6.8
82.61389	1.6
83.05018	6.1
84.02145	2.1
84.89528	1.9
96.95969	2.5
97.02937	11.7
99.04502	2.6
109.06593	62.1
110.03722	8.6
121.06590	4.5
122.79125	1.6
126.90509	3.8
135.08157	7.9
136.05287	2.9
137.09785	1.6
141.86809	3.0
142.02708	3.5
143.86458	3.9
161.09706	4.6
163.11299	39.3
178.83394	13.5
181.12349	21.9
189.09145	2.5
207.10260	100.0
208.10539	2.6
224.90503	5.0
225.11314	81.0
225.14871	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	225.1132
Annotation	1-Acetoxy-7-hydroxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
56.94666	1.1
59.01378	76.7
61.80924	1.2
61.98819	2.5
69.03459	1.2
70.93182	2.2
72.99294	3.7
117.23320	1.5
119.08604	2.2
121.10235	27.0
121.92269	1.2
122.85110	1.2
126.90495	3.5
137.09726	17.3
143.86562	1.3
162.83954	1.3
165.07912	1.8
165.09215	22.5
178.83430	8.6
181.12291	1.5
183.10258	100.0
184.10585	1.9
188.02846	1.1
206.58888	1.4
221.73720	1.0
224.90515	2.8
225.11209	3.4
225.14923	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	225.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02865	0.4
57.03437	2.2
58.96975	0.4
59.01380	100.0
59.15145	0.4
63.79891	0.4
81.03453	2.7
83.05038	0.7
90.12369	0.4
93.03470	0.9
95.05065	1.1
96.96038	0.5
97.06599	6.6
99.43365	0.4
103.62646	0.4
106.36638	0.4
109.06597	0.6
121.06636	0.5
123.08146	0.6
126.90489	0.6
134.03760	5.6
135.08162	1.3
137.02448	1.7
147.08199	2.7
149.06078	3.9
150.03203	1.1
151.11292	0.7
163.11313	1.3
165.09229	2.7
181.12318	1.4
207.10289	1.1
224.90437	0.7
224.99181	0.5
225.02330	0.5
225.05276	1.7
225.07739	1.0
225.11319	39.1
226.11563	1.0
236.33058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1608
Annotation	1,8-Diazacyclotetradecane-2,9-dione
Peak:m/z	Relative Intensity
54.12486	0.3
58.02980	0.6
59.01371	1.0
69.88258	0.3
70.99127	0.3
72.04568	0.3
80.05061	0.5
81.03458	11.7
81.03940	0.6
82.06615	1.2
83.05029	74.2
84.05355	1.1
92.66029	0.3
108.04564	1.0
125.07222	2.9
138.53891	0.3
143.08301	2.4
144.06566	0.3
148.90178	0.3
161.29764	0.3
178.83392	0.8
182.45581	0.3
198.50594	0.4
207.15027	9.6
225.16092	100.0
226.16406	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	227.129
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
54.99381	0.2
59.01374	0.3
70.29921	0.4
71.05018	0.6
75.72493	0.2
80.02689	1.7
81.03456	2.0
83.05024	7.3
84.02158	3.7
95.05035	0.9
97.06570	0.4
101.02425	0.3
109.06599	0.4
125.06078	0.7
125.09720	0.5
127.11353	0.3
135.08168	1.0
139.11241	0.3
153.12912	0.3
163.11298	5.1
165.12849	3.5
171.10266	0.3
180.45314	0.3
180.83031	0.6
181.12300	0.8
191.10828	1.9
208.93442	0.3
209.11830	100.0
210.12180	3.1
227.02777	0.6
227.12885	3.6
227.16426	0.3
227.20116	0.8
235.72682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1289
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
51.76093	1.5
54.01527	1.8
59.01358	2.7
61.98820	2.9
67.21813	1.7
95.16720	1.5
98.22617	3.8
101.02442	1.9
102.06848	1.7
116.47072	1.7
119.46070	1.7
119.88581	1.7
120.64946	1.8
127.04108	1.8
165.12843	26.6
180.83069	3.0
183.13901	100.0
184.53857	1.6
199.17009	2.3
209.11859	3.6
227.10718	1.5
227.12883	26.6
227.16487	3.4
227.20180	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	227.129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.4
71.05009	0.9
73.06696	0.7
73.48863	0.7
76.57309	0.9
80.01992	0.8
80.02654	1.7
81.03459	1.9
83.05019	6.5
84.02173	2.3
95.05051	1.4
139.11275	4.6
163.11276	3.5
165.12825	3.1
180.83096	2.2
183.10306	1.1
191.10808	1.5
207.76794	0.9
209.11832	100.0
210.12140	2.6
212.57542	0.8
227.09167	1.5
227.12906	4.4
227.20187	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	227.1289
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
52.89458	0.5
57.97424	0.5
59.01366	1.7
60.69346	0.4
65.71675	0.5
69.31479	2.6
71.01382	0.6
71.05018	0.8
74.80546	0.5
78.05399	0.5
78.98729	0.4
79.95743	6.9
80.02660	2.5
81.03471	1.6
83.01385	0.8
83.05022	6.9
84.02171	3.6
95.05020	0.7
125.09742	1.0
131.13753	0.5
135.08131	0.9
139.11336	0.6
147.11899	0.6
159.10281	0.7
163.11288	5.9
165.12863	3.4
169.06544	0.6
180.83133	1.2
181.12317	1.0
183.00549	0.6
183.13771	0.7
188.15656	0.6
191.10837	1.7
195.04678	2.8
195.54811	0.6
199.13454	0.9
209.11829	100.0
210.12187	2.7
227.02780	21.7
227.12866	5.3
227.20177	1.5
227.52898	5.1
228.02510	0.6
233.02814	0.9
234.03539	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1653
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
55.07823	3.2
57.03437	3.6
58.03382	3.0
65.32933	3.3
78.97672	2.8
102.83524	3.1
108.37390	3.8
115.66941	3.0
136.98637	3.1
153.12851	8.1
177.95482	2.8
179.40417	2.9
180.83086	4.1
181.15976	28.5
197.11774	4.5
209.11685	4.8
227.12877	7.7
227.16525	100.0
227.20149	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	227.1653
Annotation	Tectoionol A
Peak:m/z	Relative Intensity
54.61495	3.2
55.44020	2.9
57.03441	3.7
59.01378	5.9
59.85273	2.8
71.05020	28.7
85.06590	4.4
87.45506	3.0
99.00873	4.6
127.03934	3.3
129.53435	3.6
139.11327	11.3
160.30936	3.0
180.83147	8.1
181.16014	17.2
183.13867	3.6
199.13388	6.6
208.63069	3.2
209.11850	10.8
214.99150	3.0
227.13144	14.4
227.16533	100.0
227.20175	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	228.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43034	0.2
59.01379	2.9
69.96931	0.6
69.97263	0.6
72.00915	0.7
83.06457	0.3
84.08183	0.4
87.00867	0.4
88.20368	0.2
98.89862	0.3
99.73416	0.3
128.07207	1.3
130.08742	100.0
131.09088	1.5
137.03560	0.3
154.06235	0.5
169.89980	0.4
227.97626	1.5
228.00459	0.6
228.06758	0.3
245.98782	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
71.01397	7.2
71.41199	1.7
86.34943	1.2
88.04047	100.0
93.88265	1.1
96.99291	2.5
100.09785	1.1
112.07695	1.3
113.06100	11.8
114.02012	7.5
115.00379	13.1
118.51173	1.2
132.03036	62.8
183.89671	1.2
184.09749	3.9
187.46297	1.3
210.07780	1.5
228.08771	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	228.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.1
69.28129	2.7
70.02973	1.2
71.01375	8.6
88.04041	100.0
89.04378	0.7
96.99323	1.3
98.22551	1.0
108.15083	0.8
112.07680	2.7
113.06084	9.9
114.01965	7.7
115.00374	16.0
131.05237	0.6
132.03030	67.0
140.10776	0.8
166.08562	0.7
168.10289	1.6
184.09753	3.1
210.07610	1.4
228.08774	24.7
228.12418	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	228.0878
Annotation	N-Hydroxy-meIQX
Peak:m/z	Relative Intensity
51.02048	0.5
53.82102	0.4
59.01378	1.5
62.55800	0.5
65.26410	0.5
70.02969	1.0
70.55199	1.0
71.01382	6.6
72.45300	0.5
75.16672	0.5
75.85349	0.5
88.04041	100.0
89.04375	1.1
91.21180	0.5
96.99314	1.6
97.52738	0.5
112.07671	2.1
113.05344	0.9
113.06087	11.8
114.01973	8.6
115.00377	15.3
130.95088	0.4
132.03027	60.6
141.87553	0.4
166.08690	0.5
184.09781	3.2
210.07703	1.6
228.08766	23.8
235.12747	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1081
Annotation	Caiophoraenin
Peak:m/z	Relative Intensity
57.03444	3.0
58.71512	0.9
59.01382	2.5
59.22969	0.8
61.98830	1.1
63.56405	1.0
67.47736	0.9
69.03433	1.4
70.63327	1.7
97.40292	1.0
103.01483	1.8
125.09717	3.9
125.87298	1.1
139.11308	1.4
141.12852	5.0
155.10776	1.0
167.10789	3.6
167.87125	5.0
170.88342	0.8
182.25888	1.0
185.11844	100.0
186.12148	2.2
201.11324	3.8
229.02611	2.2
229.10809	20.7
229.14445	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	229.1556
Annotation	Val Ile
Peak:m/z	Relative Intensity
59.01361	3.7
67.50775	1.8
71.01386	5.6
78.95885	2.9
87.00874	3.6
88.41874	1.9
89.58908	1.8
94.73077	1.8
99.92577	2.2
115.08773	5.4
125.87321	3.2
130.08748	29.3
142.87584	2.7
154.44197	1.9
167.87160	3.3
170.88295	3.8
185.16579	27.5
224.00020	2.2
229.02557	2.9
229.10774	6.9
229.15564	100.0
230.15837	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	230.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.9
69.25935	1.8
69.26345	1.6
70.02969	0.9
71.01382	12.4
72.56501	0.6
88.04041	100.0
96.99323	6.4
114.01973	8.6
114.09248	75.8
115.00365	21.7
115.07651	32.0
115.08477	0.8
115.09538	0.9
132.03012	4.1
140.10794	1.0
157.04958	0.6
168.10362	4.4
186.11357	26.7
202.05104	2.4
212.09273	5.2
230.10323	54.4
230.15392	1.8
231.10703	0.8
244.40222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.9969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01171	0.2
59.01384	2.4
63.98891	0.3
70.89955	0.3
71.68489	0.2
72.99299	0.9
73.02947	0.5
78.95898	0.5
87.56303	0.2
89.37239	0.2
92.10206	0.2
105.02439	0.3
108.02191	1.0
109.02946	2.6
111.44053	0.2
122.71430	0.2
123.00883	0.3
124.01653	0.3
136.01646	0.7
151.04008	100.0
152.04366	2.1
170.88297	2.1
174.99245	0.4
182.20454	0.2
188.97153	0.3
230.99684	18.8
232.00035	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1237
Annotation	Jioglutin E
Peak:m/z	Relative Intensity
59.01383	18.0
70.72636	3.0
70.93564	3.2
72.99311	3.2
73.02957	6.6
97.06554	2.8
125.09719	11.8
127.11234	3.4
153.09209	41.2
153.97090	2.4
155.10759	26.8
169.86812	4.0
170.88339	7.9
171.10274	70.8
172.88121	2.7
185.11865	11.2
199.09782	9.1
231.06328	4.0
231.12370	100.0
231.15788	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	232.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.3
69.28266	1.5
69.28673	1.6
70.02979	52.2
72.74397	0.5
87.92564	0.8
91.05537	14.4
96.99311	9.3
114.01970	100.0
115.02358	0.7
117.03468	26.3
118.03853	0.6
118.06631	1.1
119.05051	2.7
120.81558	0.6
134.06126	18.5
135.04498	0.9
144.08177	1.6
145.06641	1.0
146.06128	3.7
160.07666	4.4
165.30824	0.5
172.04065	1.1
173.04575	0.7
188.07164	5.7
188.98564	1.0
211.80295	0.7
216.00491	0.6
232.06219	1.6
232.97487	0.9
233.15454	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	232.9759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	2.2
59.01380	79.9
60.01755	0.6
60.99331	0.7
67.01917	1.8
71.01374	9.4
72.99330	1.3
73.02967	2.4
75.00910	1.4
78.52188	0.7
78.95904	12.1
78.96306	0.8
79.95745	1.6
81.03450	0.8
83.01421	2.5
85.02970	3.2
87.00907	0.9
92.96024	2.0
93.03493	2.4
94.95753	1.1
96.96037	20.5
96.96993	21.8
99.00871	10.3
101.02444	0.9
106.97601	0.9
107.03648	1.4
108.02211	0.7
109.02953	67.0
110.03345	0.9
111.00897	4.8
111.01582	0.7
111.04518	1.1
119.05031	7.7
127.65749	0.7
128.34245	0.8
129.01945	6.7
134.04730	20.5
135.04172	0.9
135.05193	5.9
145.00890	2.5
147.06776	14.8
153.01938	100.0
153.96223	0.7
154.02228	1.3
156.91353	1.0
160.96696	1.0
162.98329	5.7
170.95233	1.0
173.01019	1.6
173.04587	3.9
173.99635	0.6
175.02505	0.9
188.96254	8.8
188.98550	7.5
188.99953	1.1
191.11615	0.6
215.07042	1.3
228.63666	0.7
232.94875	3.7
232.97534	33.8
233.12933	6.4
233.15417	48.2
233.94231	9.6
233.97406	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	233.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61626	1.2
54.27229	1.3
57.03445	10.5
59.01379	100.0
67.01880	5.0
68.99797	2.3
71.01383	43.7
72.46413	1.2
72.99305	1.9
73.02943	10.5
78.95901	21.0
79.95691	1.6
81.16198	1.3
83.01398	10.7
85.02947	10.2
87.00890	1.6
93.03455	3.3
96.96002	31.1
96.96957	38.7
99.00881	51.1
99.92565	3.0
100.93363	4.7
101.06091	5.2
109.02949	32.7
111.00889	21.6
112.98772	2.0
115.00371	1.9
115.92051	6.7
116.92875	3.2
119.05042	2.0
122.65868	1.7
129.01045	2.4
129.01953	28.4
133.02882	1.5
145.00867	21.3
147.75758	1.4
149.81097	1.3
153.00690	2.6
153.01936	49.1
161.00323	2.3
161.02475	2.6
162.98289	1.9
173.00932	4.3
173.04514	3.6
188.96307	2.0
188.98552	1.9
188.99907	13.0
232.97383	6.0
232.98828	12.9
233.10352	2.5
233.13092	3.2
233.15453	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26575	1.6
57.03444	15.7
59.01379	100.0
67.01881	8.0
68.99809	3.4
69.69866	5.8
69.70210	1.8
71.01382	61.0
73.02945	14.3
76.91741	1.8
78.95898	2.3
79.95753	1.8
83.01391	16.0
85.02950	21.2
87.00867	4.0
87.05627	3.0
88.04028	16.8
94.95705	3.0
96.95998	10.0
98.06115	1.9
99.00880	89.7
101.02440	2.9
104.03477	2.0
109.02214	3.7
109.02950	59.8
111.00883	29.3
115.00338	2.0
115.08782	9.7
115.46219	1.8
118.50596	1.8
129.01953	40.2
134.94322	3.9
153.01947	83.1
159.07755	81.0
160.07877	1.7
160.96786	3.6
161.04814	2.5
162.98308	18.2
170.95207	3.5
173.00883	7.8
173.04555	2.3
188.07166	3.4
188.96242	34.4
188.98692	2.4
190.08734	24.6
192.51384	2.1
214.91383	5.3
216.06622	12.7
224.20624	1.7
232.92535	2.0
232.95178	5.9
232.97581	26.8
233.01019	3.0
233.10283	1.9
233.15503	27.4
234.07678	8.1
234.09743	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0819
Annotation	7-Acetyl-3,6-dihydroxy-8-methyl-alpha-tetralone
Peak:m/z	Relative Intensity
50.17313	0.2
50.88606	0.2
56.62187	0.3
59.01380	2.3
70.17891	0.6
72.50513	0.2
75.83521	0.2
107.64388	0.2
109.33678	0.2
123.39653	0.2
129.07117	1.1
130.04231	1.0
131.05006	0.7
139.30579	0.2
144.05843	1.5
145.06580	0.9
155.05000	0.7
158.03737	3.7
169.06587	0.5
170.07352	0.4
171.04510	0.3
171.08159	3.6
172.03812	0.4
172.05304	7.5
173.06076	19.4
174.06389	0.6
175.04007	0.5
178.31143	0.3
199.03865	0.3
200.04778	1.1
214.06401	0.5
215.07118	100.0
216.07465	3.7
233.08185	18.6
233.11655	0.4
233.15475	7.1
234.08443	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70823	0.3
59.01375	0.5
59.96727	0.8
69.80978	0.5
69.81354	0.6
70.14640	0.3
74.99065	7.4
74.99463	0.5
89.46132	0.3
91.02219	0.8
93.00136	1.5
98.22636	0.4
102.04617	0.3
118.96255	0.9
133.98511	0.4
134.99405	7.0
136.97307	1.6
141.07512	0.4
143.05341	1.2
149.00954	60.0
150.00995	1.5
150.98845	0.6
152.96877	0.3
159.08493	1.8
161.06412	2.5
162.75223	0.3
162.76826	0.3
194.03340	0.3
194.78380	0.3
215.05602	1.0
217.07202	82.8
218.07289	3.3
233.10335	100.0
233.15253	7.0
234.10452	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	234.0408
Annotation	3,4-Dihydro-7-methoxy-2-methylene-3-oxo-2H-1,4-benzoxazine-5-carboxylic acid
Peak:m/z	Relative Intensity
59.01117	0.5
59.01368	3.4
61.94001	0.6
65.99866	0.7
71.44720	0.6
90.03495	2.0
118.02995	15.4
119.01370	0.6
130.78629	0.5
146.02481	9.2
147.03267	100.0
148.03612	2.3
162.01971	1.4
164.03581	1.9
174.01961	36.1
175.02744	3.4
189.98723	0.6
190.01468	10.1
190.08704	0.6
191.02065	0.5
191.10721	1.0
234.04073	95.4
234.15773	7.4
235.04443	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	234.0772
Annotation	Swietenidine A
Peak:m/z	Relative Intensity
54.41668	0.4
58.04750	0.4
59.01379	6.4
60.01390	0.4
60.01693	0.8
64.13664	0.4
65.09171	0.4
71.04996	1.1
72.17966	0.4
75.57747	0.4
80.20000	0.3
86.02458	0.5
96.95953	0.4
99.92575	0.7
104.03537	6.9
105.03831	0.5
108.73577	0.4
109.02970	2.3
110.03271	1.1
119.04998	0.4
132.03067	0.4
133.86060	0.4
134.02480	1.4
134.04744	3.0
135.04524	1.1
146.08218	0.9
147.03351	0.5
147.04469	0.5
152.93713	0.5
153.01863	0.6
154.02292	2.2
159.04485	0.5
160.04019	9.1
161.04846	5.5
161.06070	0.8
162.05565	0.8
163.07652	5.1
173.04768	0.8
173.06088	0.5
174.05577	2.3
174.54707	0.4
175.06386	3.5
186.40967	0.4
188.07179	13.2
190.08734	100.0
191.09036	2.8
215.05879	1.1
216.06645	52.9
217.07143	1.0
233.94249	1.6
233.97418	1.7
234.07718	40.8
234.09843	5.7
234.15742	3.7
235.08032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1498
Annotation	Huperzine W
Peak:m/z	Relative Intensity
69.70423	0.4
88.48560	0.3
112.35754	0.4
155.33676	0.4
160.84399	0.3
190.08713	0.7
204.15234	0.7
207.13898	0.4
218.11787	1.8
219.12578	1.2
234.14975	100.0
235.15317	2.5
251.11484	1.8
254.79323	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0647
Annotation	Buturon
Peak:m/z	Relative Intensity
59.01374	15.9
61.23736	1.2
65.03949	1.5
70.47348	3.4
71.04990	1.6
71.07420	1.2
79.95736	70.3
80.02691	1.7
80.96514	91.2
81.45140	1.3
81.86854	1.4
84.02174	13.3
92.92766	1.7
93.44820	1.4
93.87569	1.4
95.95221	1.5
96.96015	23.5
123.78357	1.5
125.09734	1.5
127.07601	4.8
127.11297	3.6
130.50888	1.5
137.09729	16.5
152.27112	1.4
155.10783	27.4
162.37141	1.2
189.06648	1.3
235.06454	100.0
235.13336	4.2
235.15660	1.9
236.06836	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	236.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	17.6
61.98819	15.8
63.47171	11.7
65.07751	11.8
66.03493	10.7
69.48185	23.6
69.48579	23.1
83.34119	12.6
83.78880	13.3
97.54231	14.1
98.22684	15.6
98.60007	10.8
104.24621	11.2
108.87407	14.3
123.43798	11.6
161.27084	12.9
162.00255	18.0
170.57425	14.2
174.90038	24.6
178.98071	29.9
188.03638	14.4
189.62202	11.7
189.99612	83.1
194.00430	34.0
204.01331	17.8
205.02086	86.8
206.02617	14.0
209.02748	39.0
221.01544	29.7
236.03905	100.0
236.09116	13.0
236.12906	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27917	1.9
59.01377	14.0
61.98840	2.4
65.28671	1.9
71.43246	2.3
78.95911	18.5
87.00862	5.8
92.98074	1.9
98.67569	2.3
100.92504	2.3
102.35282	2.0
103.91996	3.0
122.89437	8.1
126.90607	2.0
133.02966	2.4
135.04538	11.4
138.05608	3.1
143.14996	2.0
147.26318	1.9
149.00981	4.6
150.02000	4.0
154.91626	4.0
161.02461	9.7
164.01233	3.6
168.44270	2.0
178.43411	2.7
179.03543	11.4
219.17935	1.9
227.82162	1.8
236.05643	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	236.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60265	0.1
54.66041	0.1
59.01377	0.2
60.14095	0.1
67.35512	0.1
68.72922	0.1
70.46795	0.2
96.96019	0.2
103.80244	0.1
134.03738	0.5
135.04509	0.3
136.05260	0.4
148.05313	7.9
149.05986	0.4
149.09711	1.1
162.06903	0.4
174.90047	0.2
175.07642	0.4
176.08403	0.6
177.09210	40.6
178.09538	1.4
180.07921	0.2
190.10004	1.3
191.10786	1.0
192.11565	31.0
193.11987	1.1
201.09187	0.6
203.07115	0.7
217.08676	3.0
218.09479	8.5
219.09818	0.3
224.10535	0.2
236.10545	100.0
237.10948	3.6
237.14673	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.1
59.14541	1.3
64.17559	1.3
71.29739	1.9
78.95953	1.8
85.02950	1.5
87.00877	100.0
92.96009	2.5
100.84487	1.4
106.60096	1.3
108.05402	1.6
110.92577	1.4
125.39304	1.5
129.01949	13.9
159.07750	5.9
161.08231	5.3
237.06166	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0616
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
57.03436	1.2
71.01357	0.9
72.99286	0.6
78.95900	2.6
85.02959	2.1
87.00875	100.0
88.01195	0.7
129.01950	10.7
163.70744	0.6
219.05138	0.7
237.06131	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
54.68356	2.3
59.01383	37.4
60.50032	2.4
62.80648	2.4
69.03464	15.8
78.95895	3.1
85.84908	2.2
95.84255	2.3
97.06591	37.3
121.10207	4.6
123.00880	3.6
123.08162	47.8
135.04526	4.9
139.07631	8.0
147.11790	8.6
161.02512	3.3
163.48923	2.3
164.00957	2.5
167.07172	6.0
175.14915	7.8
179.10764	13.3
219.13899	4.2
237.14960	100.0
238.15291	4.0
247.97577	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	237.1496
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
55.99420	0.7
57.03448	17.7
59.01381	5.2
65.20331	0.8
65.67159	0.8
69.45089	4.3
83.05018	2.5
87.08186	0.9
94.92499	1.3
98.22651	1.6
109.06533	1.1
135.04512	2.0
161.02351	0.9
166.61203	0.9
167.10783	2.7
179.03314	1.0
179.10770	3.4
193.15979	3.6
195.13869	5.1
219.13898	0.9
237.14949	100.0
238.15257	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	237.1497
Annotation	Rumphellolide C
Peak:m/z	Relative Intensity
59.01372	2.4
61.23341	0.6
62.25788	0.6
78.95895	1.3
87.00880	1.1
96.04917	0.6
99.08307	0.6
111.49683	0.8
113.02453	0.6
135.04520	2.1
151.39108	0.6
153.19525	0.6
156.80986	0.8
161.02448	1.5
162.02765	1.0
179.03473	1.1
180.03822	1.5
193.15924	5.4
237.14952	100.0
238.15239	4.4
254.46707	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.1449
Annotation	Salbutamol
Peak:m/z	Relative Intensity
59.01382	11.1
59.60669	1.1
61.98834	1.6
69.03465	3.2
69.34927	2.6
69.35314	3.7
71.01375	3.9
72.02168	9.5
79.73006	1.1
82.06613	7.4
83.03783	3.4
84.02156	4.0
84.04532	4.8
84.08185	3.1
86.06110	5.2
92.05090	1.3
94.06608	2.8
95.05014	1.7
96.04551	96.6
96.96006	1.6
97.05361	2.8
97.06590	29.5
107.05020	4.5
109.06606	2.0
110.06119	6.1
111.08179	6.5
112.07685	71.0
113.08029	1.3
122.03778	1.7
123.08171	6.6
125.06085	100.0
126.06420	1.8
131.50951	1.4
141.09216	30.4
150.05606	3.4
150.09245	1.5
164.10782	4.7
168.06691	6.9
168.10283	2.4
169.07451	2.2
179.05634	5.4
202.12326	1.3
204.28998	1.3
220.10651	6.3
220.13443	6.3
221.11833	1.5
223.02853	1.8
238.11592	5.4
238.14490	13.2
242.07350	1.4
252.22964	1.3
253.43477	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98856	1.7
54.33230	1.8
58.99599	4.8
59.01379	100.0
68.57298	1.8
69.72650	6.4
69.72992	1.8
71.01382	24.3
73.02948	2.4
85.02934	10.8
87.00884	14.8
89.02448	31.6
97.02936	2.8
99.00888	5.8
101.02430	11.2
113.02451	4.6
114.98660	1.9
117.01933	2.6
119.03497	5.6
125.02423	2.4
131.03532	3.7
136.99236	1.9
149.04575	2.7
161.04607	11.5
166.44299	1.7
178.95976	2.5
179.05614	67.3
188.94542	1.8
221.06665	8.6
239.07806	10.3
258.69046	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	239.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95329	3.0
59.01379	100.0
64.99899	2.8
69.50473	11.9
71.01377	11.9
78.95905	6.8
85.02941	7.4
87.00867	18.9
89.02431	10.0
99.00895	3.3
101.02421	5.3
113.02470	5.5
126.01085	3.3
161.04532	13.6
161.36578	3.0
178.96002	6.1
179.05614	66.4
179.58427	2.9
241.46487	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	239.0925
Annotation	CMPF
Peak:m/z	Relative Intensity
59.01379	100.0
69.09682	3.0
69.10090	1.4
81.03477	1.9
83.05005	1.0
85.02962	0.9
87.00905	0.9
87.03558	0.6
88.04035	4.5
95.05029	2.9
97.06599	4.1
109.06580	3.0
132.03032	8.7
135.08182	3.0
141.05586	8.7
151.11302	2.8
161.04486	0.7
177.09195	3.4
179.05627	4.4
179.07022	1.0
195.10266	35.5
196.10605	1.7
218.12553	0.7
221.08192	0.8
223.02812	1.6
239.09242	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.34520	0.3
59.01372	1.2
59.53216	0.3
64.01544	0.3
68.00894	0.3
69.80051	0.6
69.80437	0.6
81.07092	0.4
90.90498	0.3
94.04261	0.4
95.05025	0.9
101.06081	7.8
102.76084	0.4
109.06593	5.1
111.08158	5.6
122.03737	0.5
125.09711	1.2
135.11818	0.6
138.06854	2.8
139.04016	14.0
140.04489	0.3
140.08971	0.3
151.11220	0.8
154.06363	32.1
155.06654	0.5
167.14407	9.7
179.05643	0.9
179.10753	4.6
182.05849	3.2
185.01788	0.4
185.15480	0.5
195.13898	100.0
196.14194	2.6
223.02789	1.0
227.76431	0.4
239.06851	0.5
239.12878	9.1
247.53403	0.3
250.86391	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
53.70988	1.3
55.01869	2.7
57.03445	12.7
59.01376	14.0
59.29493	1.0
65.04985	1.3
66.56528	1.3
67.01879	4.5
69.03452	2.9
69.12103	3.1
69.12524	5.5
71.05011	2.4
73.21410	1.4
78.70255	1.1
81.03455	6.1
83.01381	5.5
83.05031	27.2
84.02158	7.7
85.02950	100.0
87.00875	1.9
96.96017	2.1
97.02948	10.7
97.06566	1.6
102.18377	1.2
109.06595	3.9
110.03724	3.8
113.13439	1.4
125.09676	1.9
137.06136	1.5
142.02686	2.5
147.80025	1.2
149.09763	1.4
155.10800	5.8
160.84187	1.7
171.10258	9.2
175.11296	2.8
177.12904	8.7
179.05603	10.9
184.18030	1.2
193.12350	6.3
195.13902	8.1
203.10771	1.5
211.13446	2.2
214.54294	1.2
221.11821	55.8
223.02849	5.1
239.12875	95.5
240.13312	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	239.1289
Annotation	5OH-HIP
Peak:m/z	Relative Intensity
55.01873	1.9
57.03450	11.4
58.49104	1.0
59.01380	14.2
67.01895	7.1
69.03441	3.7
69.21120	2.6
69.21532	3.0
71.05025	1.1
79.99096	0.9
80.02679	1.9
81.03468	5.7
83.01381	4.3
83.05027	24.7
84.02152	6.2
84.84137	0.9
85.02950	100.0
87.00866	2.3
93.00103	1.0
95.05025	1.0
96.96040	1.4
97.02951	12.3
98.21882	1.7
108.02120	1.2
109.06592	3.8
110.03739	3.9
116.72309	0.9
122.62726	1.0
123.04527	1.5
125.09738	2.1
127.11270	1.6
149.09741	1.3
155.10812	4.9
161.04501	2.0
171.10274	10.4
177.12859	5.4
179.05605	9.6
193.12370	9.3
195.10408	0.9
195.13850	4.5
196.20982	0.9
211.13399	2.5
221.09718	2.2
221.11829	39.1
222.12181	1.2
223.02832	3.6
239.12883	79.0
240.13310	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	241.0119
Annotation	6-Deoxy-5-ketofructose 1-phosphate
Peak:m/z	Relative Intensity
50.07532	1.0
55.36699	1.1
56.80923	1.0
58.48952	1.1
59.01379	1.8
64.55198	1.5
67.01873	1.8
70.79208	1.4
72.96963	2.0
72.99319	3.0
78.95901	100.0
87.00877	7.7
92.92779	1.8
93.75401	1.0
96.96960	27.6
97.02943	1.1
99.00867	1.3
111.00880	17.5
115.00336	2.0
115.45597	1.1
116.84753	0.9
126.98916	1.3
165.04016	2.8
166.97516	59.4
168.02779	2.8
168.04170	1.6
180.95732	2.2
181.06125	1.8
181.99394	1.3
223.00131	2.6
240.90831	3.4
240.97635	9.6
241.01173	93.5
242.01440	2.1
242.08049	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	241.0831
Annotation	Thymidine
Peak:m/z	Relative Intensity
59.01361	3.5
60.65599	1.8
63.90992	1.8
67.90822	1.5
69.77055	5.4
78.95903	1.9
98.21937	3.1
113.04916	1.7
125.03568	8.5
151.05147	15.6
163.00348	4.1
178.02814	4.4
181.01450	2.8
193.04895	2.2
196.03725	1.6
211.06126	3.5
241.08308	100.0
242.08537	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	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
57.03440	0.7
58.54991	0.4
59.01381	12.2
63.74059	0.5
67.60432	0.4
69.03458	0.5
71.44002	0.6
72.99310	12.6
75.00874	29.9
79.21366	0.4
81.03459	0.4
83.05031	0.7
93.03455	0.5
95.05000	0.8
97.02993	0.5
97.06585	0.6
98.08680	0.5
107.05022	0.5
109.02930	0.8
109.06554	0.7
110.03746	13.4
116.16310	0.5
119.05041	2.3
121.06590	0.7
123.08149	1.0
133.06615	3.3
135.08159	1.1
138.03229	1.7
145.06592	0.5
149.09697	0.9
151.07629	2.9
161.09753	1.1
167.10817	0.6
169.04041	1.6
177.09193	1.1
185.37602	0.4
193.04698	0.4
195.03067	0.4
195.10262	0.7
205.74701	0.5
230.85538	0.4
241.10814	100.0
241.21753	2.4
242.11093	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	241.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	44.7
69.03447	4.1
70.72369	1.1
70.72695	1.0
72.99300	3.4
88.04038	1.1
98.63965	0.9
107.08672	18.5
119.08694	0.9
123.08124	1.3
133.06566	1.1
137.09642	1.0
143.04909	0.7
151.07651	1.5
153.09187	1.3
163.07751	1.1
169.08733	1.9
179.47482	1.0
181.08693	13.0
199.09749	100.0
200.10081	2.7
241.10741	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1081
Annotation	1-Acetoxy-7-hydroperoxy-3,7-dimethyl-2E,5E-octadien-4-one
Peak:m/z	Relative Intensity
50.14256	0.9
52.00509	1.0
56.39931	0.8
59.01379	47.6
66.18083	0.9
69.03456	3.8
69.07297	6.5
71.01386	3.0
71.79153	1.1
72.58054	1.1
72.99316	5.7
75.57775	0.9
88.04038	19.1
93.03474	1.1
95.05021	1.6
101.02427	0.9
101.80800	0.8
103.82253	0.9
107.08669	17.5
114.01939	1.7
114.66624	0.8
115.00376	3.7
119.08649	2.2
123.08141	1.6
124.07079	0.9
126.09234	1.6
127.07661	2.3
132.03032	10.4
133.62610	0.9
137.09750	1.0
143.07144	1.8
151.07603	1.7
153.09235	2.1
163.07660	1.4
169.08667	1.3
179.10791	1.5
181.08687	14.4
197.11815	15.0
198.11484	1.3
199.09767	100.0
200.10184	2.5
241.10889	8.8
241.21739	3.2
242.10350	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	241.1082
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.86746	1.0
59.01378	1.1
69.03448	3.2
70.34950	2.2
71.05030	5.6
81.03461	7.7
83.05027	42.7
125.09731	3.2
138.38795	1.0
148.50993	1.1
149.09294	1.3
151.11275	1.6
153.12874	2.7
161.09673	1.7
178.99443	1.0
179.10786	7.3
195.15021	7.0
196.13428	1.9
197.11829	100.0
198.12149	2.9
201.83656	1.0
213.16086	10.7
223.09795	3.6
241.10811	93.0
241.21747	1.2
242.11322	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28002	1.3
53.51390	1.3
55.01879	3.8
59.01385	2.9
61.98816	1.6
65.82875	1.2
69.79684	2.8
70.26635	1.3
71.01379	1.5
83.05025	4.8
85.06588	9.3
97.06587	3.1
113.21185	1.3
134.89487	2.0
151.11285	4.3
153.12862	100.0
154.13194	2.7
162.83977	1.3
163.95020	1.3
172.64027	1.2
189.16797	1.4
191.11574	1.4
197.11818	69.1
213.32925	1.2
228.85245	1.2
241.10881	1.9
241.14436	4.6
241.21700	2.2
241.79291	2.5
246.85196	1.2
262.10135	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06159	1.0
57.12508	0.8
59.01378	1.2
61.98823	2.1
69.64420	3.6
78.65350	0.8
81.03461	16.0
83.05027	100.0
84.05375	1.1
120.12596	0.9
144.80060	1.1
163.79832	1.0
167.81587	0.9
186.43288	1.1
195.15019	14.1
196.03946	1.0
196.13441	5.6
197.11813	2.9
213.16090	27.0
241.10843	2.8
241.15729	5.9
241.21785	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	242.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.7
70.02979	0.9
71.01015	0.7
71.01388	7.0
71.01739	1.1
88.04039	100.0
96.99285	1.7
114.01960	8.1
115.00376	14.4
122.03741	0.6
125.42755	0.6
126.09227	2.4
127.07660	8.9
132.03029	70.0
160.84152	1.0
162.83861	0.8
198.11369	3.7
224.09396	1.5
226.83943	0.6
242.10342	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.062
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03441	0.8
59.01378	2.1
61.98829	0.7
63.65265	0.6
66.03482	14.0
68.01419	2.6
69.31480	1.1
69.31881	1.9
71.01371	3.4
74.02495	0.6
75.00862	0.8
78.95899	0.9
80.96616	0.5
82.02982	29.7
83.01395	2.1
83.03313	0.7
84.04543	1.1
85.02924	0.7
87.00880	3.1
89.02450	1.1
92.01402	0.6
94.02988	2.5
96.04536	1.9
96.96947	0.9
98.02477	0.7
98.21880	1.2
99.00893	5.1
108.04578	2.8
110.02477	100.0
111.00883	2.5
111.02004	8.7
111.02808	1.6
112.98815	5.6
113.08045	0.5
115.00329	0.5
117.01926	1.4
120.04572	0.8
122.02500	8.5
124.04033	3.4
126.05563	0.7
128.03548	1.2
129.01932	1.5
132.03035	1.2
138.01967	0.8
140.03537	12.4
142.99864	4.5
145.01379	1.6
145.06134	2.7
152.02283	0.9
152.03531	17.4
153.03043	11.4
166.97531	3.5
168.97365	0.6
169.98572	0.7
173.00920	4.8
182.04623	0.7
199.08099	0.8
199.41537	0.6
200.05643	43.5
201.05972	1.3
205.03458	1.9
210.98424	0.6
243.06216	33.8
244.06458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0622
Annotation	Uridine
Peak:m/z	Relative Intensity
53.71488	0.5
55.01873	1.0
57.44928	0.5
59.01378	1.8
60.23659	0.6
63.79052	0.7
66.03490	13.3
68.01418	2.5
70.00556	1.9
71.01394	1.6
77.82748	0.6
78.78405	0.5
82.02985	30.5
83.01392	1.3
84.04530	0.9
94.02992	2.5
96.04556	1.9
98.02530	0.7
103.49641	0.6
108.04558	2.7
110.02483	100.0
111.02012	7.6
111.02840	1.7
117.01965	0.9
121.77200	0.6
122.02485	7.9
124.04050	4.1
132.03038	0.7
138.01942	0.7
138.05569	0.7
140.03537	10.2
146.08418	0.6
152.03543	17.3
153.03052	8.3
153.04166	0.7
182.04544	1.1
200.05652	38.8
243.06221	32.0
243.08763	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0874
Annotation	Tensyuic acid F
Peak:m/z	Relative Intensity
53.34731	1.8
59.01378	19.4
69.56814	2.6
69.57143	4.0
71.01382	7.7
72.99297	4.5
73.02942	3.8
95.04992	1.9
95.44656	1.7
97.06595	5.8
98.70956	2.0
99.04532	2.2
109.06578	8.8
110.02496	1.8
111.19556	1.4
122.03750	1.8
124.01642	2.0
125.06136	1.8
127.07655	5.4
135.08168	6.0
148.91905	1.7
153.05597	2.7
153.09256	2.7
161.08215	2.6
162.83896	3.2
163.07649	30.9
171.06664	13.4
171.07935	2.4
179.07146	4.5
181.08699	6.4
200.86211	1.7
201.33461	1.4
207.06589	10.7
212.30750	1.5
225.07678	26.3
243.08720	100.0
244.08990	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	243.1237
Annotation	Pandangolide 1a
Peak:m/z	Relative Intensity
57.03422	1.3
59.01379	59.9
69.03448	1.2
71.01330	0.6
72.99308	8.4
74.16900	0.6
74.91050	0.6
83.06057	0.7
85.00417	0.8
85.06590	1.0
93.32101	0.7
98.22528	0.8
103.31726	0.7
107.08675	3.1
109.10239	3.5
111.04499	0.9
121.10198	1.3
125.09718	4.1
137.09641	0.7
139.11293	2.9
141.30109	0.6
155.10786	3.4
162.05618	1.2
163.04048	0.6
183.10257	59.9
184.10594	1.5
189.82570	0.7
199.04028	0.9
201.11325	100.0
202.11671	3.0
216.88983	0.6
216.92268	0.6
243.02972	4.1
243.06392	0.7
243.12360	7.7
243.17308	0.7
244.02556	1.4
245.94820	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1237
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
54.58659	1.3
59.01383	6.7
71.05019	3.3
73.02924	2.4
74.75788	1.6
85.00431	5.3
97.02963	4.5
97.06561	3.0
99.00883	19.7
99.08167	2.9
103.31953	1.5
110.02509	2.1
110.03728	1.6
113.30757	1.7
114.09189	1.6
125.09702	5.0
129.09230	11.0
155.14400	2.1
163.11267	7.1
170.35130	1.4
174.09015	1.6
181.12340	21.9
192.25159	1.4
193.14136	1.6
199.13387	17.9
207.08310	2.0
207.10271	40.7
225.11324	74.2
226.11658	2.5
243.02884	6.6
243.12370	100.0
243.16119	5.9
244.12700	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	243.1238
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
57.03415	1.1
59.01374	3.6
59.01671	0.8
69.67469	0.7
71.05025	2.6
71.42663	1.0
72.08572	0.9
73.23557	0.8
83.05021	1.6
85.00432	3.3
95.53347	0.7
97.02951	2.3
97.06568	1.9
99.00883	15.8
108.14249	0.8
108.88894	0.9
109.06554	1.0
110.03736	1.6
115.02083	0.7
125.09718	5.0
142.02625	0.8
155.14450	1.4
163.11316	4.4
181.12357	13.9
182.12866	0.8
197.11859	0.9
199.13390	13.4
207.10269	29.2
215.13086	1.0
225.11337	57.6
226.11682	2.3
243.12370	100.0
243.16287	3.1
244.12689	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	243.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60344	0.8
55.38895	1.0
59.01366	2.8
62.03848	1.0
66.03467	1.3
70.82111	1.5
72.53566	0.8
82.06617	5.9
83.01416	0.9
84.22997	0.8
85.00440	1.1
89.94380	0.9
98.02453	1.5
103.89602	0.9
110.02428	1.0
114.01929	1.0
116.92894	1.8
129.10333	5.0
130.08739	43.0
134.89441	1.0
154.66594	0.8
158.93913	1.1
160.10709	0.8
161.08212	1.1
162.84007	1.2
182.15503	3.2
183.11369	1.5
199.18163	24.3
242.25691	0.8
243.17126	100.0
243.75475	1.0
243.79219	1.9
244.17397	3.7
245.78497	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1713
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
53.21233	1.2
54.29060	1.1
56.07153	1.1
57.03412	1.2
59.01389	6.7
61.98821	1.5
67.12906	1.2
71.42199	1.4
73.86792	1.3
77.33810	1.1
82.06587	1.3
85.00424	1.7
88.71558	1.2
114.89135	1.2
120.66225	1.2
129.10321	4.1
130.08742	40.3
161.08228	1.8
199.18161	24.1
243.02693	1.6
243.12506	3.4
243.17131	100.0
244.17345	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	243.1964
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
55.01866	1.6
58.62051	1.1
59.01379	2.6
61.98822	1.9
62.55519	1.1
64.55432	1.4
67.01888	2.1
70.21305	1.8
70.21635	2.8
85.00427	4.7
99.00872	1.5
99.92550	1.4
116.92892	7.3
134.89493	1.7
144.84924	1.3
158.93893	2.0
161.08168	1.4
162.83966	2.1
181.92944	2.5
195.17526	3.2
197.19106	61.3
198.19435	1.7
242.79420	2.1
243.19641	100.0
243.78984	2.4
244.17038	3.8
244.19984	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	244.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48665	0.9
59.01374	2.3
65.97569	1.1
66.91811	1.0
69.15706	5.7
70.02978	1.9
71.01380	9.9
73.57573	1.1
88.04044	100.0
89.04379	1.0
96.99325	5.1
113.34346	1.0
114.01953	4.5
114.09235	2.4
115.00373	19.1
121.96103	0.9
128.10822	59.9
129.09227	22.9
132.03029	7.5
144.04585	1.5
144.10287	1.5
158.93938	1.8
172.04053	1.2
182.11926	3.2
184.88632	1.3
200.12941	21.0
209.11783	1.2
209.92213	1.2
216.03009	4.3
226.10912	5.7
243.79077	1.0
244.02492	5.1
244.11894	85.0
245.12186	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	245.0433
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
56.33712	0.5
59.01382	9.4
70.51402	1.2
71.01374	3.9
72.99306	27.0
78.95901	48.0
89.02454	3.7
89.56795	0.5
92.92802	39.0
94.92509	100.0
96.91575	1.1
96.92212	21.9
96.96011	2.3
96.96962	8.9
101.02444	7.7
108.90197	16.1
110.89914	7.3
110.98504	1.6
112.89611	2.6
112.98569	3.4
113.02487	0.8
114.93603	1.2
119.03494	10.9
128.89214	3.0
128.95959	0.7
138.92099	2.0
140.00914	0.7
140.91832	2.8
146.92570	2.8
152.95973	17.8
152.99582	34.1
153.98872	1.3
155.03362	0.8
168.93147	1.2
169.01207	2.3
169.03130	0.8
169.98621	5.4
170.89317	1.1
170.92953	1.8
170.97006	27.6
170.99095	3.9
171.00674	18.7
179.05582	0.6
185.02280	1.3
195.35396	0.6
209.06680	3.5
244.86327	0.7
244.90196	6.3
244.92155	0.9
245.04353	40.5
245.91542	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0817
Annotation	Torachrysone
Peak:m/z	Relative Intensity
56.39740	0.1
57.03208	0.2
57.03452	2.0
57.53966	0.1
59.01363	0.4
68.99830	0.2
73.33156	0.1
77.38386	0.1
80.02691	0.8
80.03068	0.1
81.03456	5.6
83.01401	0.2
83.05019	0.2
88.23392	0.1
93.03445	1.2
93.05276	0.1
95.05031	4.2
97.02952	2.0
108.02195	0.7
109.02953	8.3
115.05562	0.2
117.03498	0.2
117.07113	0.2
119.05027	0.3
121.02962	2.8
122.03780	1.3
123.04527	5.9
124.04896	0.2
130.08739	0.4
131.05009	0.8
132.25383	0.1
133.02959	0.4
133.05704	0.2
133.06606	0.7
135.04526	1.1
137.02472	0.2
139.04025	1.7
143.05031	0.8
145.02971	1.2
145.06583	0.2
146.03738	2.8
147.04527	2.4
147.08119	0.2
148.05016	0.2
149.02461	2.1
150.03175	0.6
151.03995	0.3
156.05881	0.2
157.02956	0.2
157.06586	1.7
158.03766	0.9
159.04517	9.6
159.08078	0.3
160.05307	3.7
161.02461	1.0
161.06090	12.4
162.01898	0.2
162.03239	3.0
162.06418	0.3
163.03949	0.3
171.04544	0.3
172.05299	0.3
173.02457	0.9
173.06078	3.2
174.03229	2.6
174.06862	1.3
175.04012	7.6
175.07634	7.4
176.04340	0.3
176.07993	0.2
181.06555	0.2
183.04492	0.6
184.05307	0.9
185.06081	2.3
186.06825	0.5
187.04005	14.8
188.04785	13.3
189.05293	0.6
197.06032	0.2
199.03836	0.2
199.07666	2.7
201.01880	0.6
201.05551	2.6
201.07388	0.1
201.09203	0.3
202.06358	6.1
203.03426	0.9
203.07135	34.8
204.07436	1.0
205.33839	0.1
209.05972	0.4
211.04066	0.3
212.04787	2.9
213.05232	0.1
215.07074	0.2
216.04395	0.1
217.05190	1.0
217.08682	1.8
226.06316	0.3
227.03606	0.2
227.07135	6.8
228.07495	0.2
230.05821	2.1
245.08180	100.0
246.08504	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	245.093
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
50.71625	0.8
50.71918	0.8
58.02974	25.1
59.01389	1.1
68.24010	1.2
70.02975	13.8
72.00904	3.9
72.04549	7.0
74.02471	100.0
89.47649	0.7
93.81787	0.7
98.02476	23.5
98.22651	3.4
116.03542	29.7
116.05058	30.8
117.03912	1.0
119.04976	0.8
130.06662	4.7
142.06601	7.8
159.09276	6.4
163.03981	1.2
183.09262	2.0
186.05643	1.5
201.10295	8.8
203.08258	82.5
204.08591	3.0
245.09297	87.1
246.09666	2.5
249.85837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.7
59.01382	54.2
69.12064	6.8
72.99306	1.9
76.49154	1.3
85.02952	14.9
87.00864	3.0
90.16765	1.2
99.08147	4.9
110.20375	1.1
127.10465	1.3
127.11257	6.7
133.34998	1.3
139.10529	1.1
139.11305	13.2
155.10736	2.2
157.12344	20.0
167.10751	1.9
171.10191	1.6
171.91858	1.6
173.04504	1.5
174.99265	1.9
185.11829	100.0
186.12108	2.9
203.12877	93.9
204.13275	2.8
214.08791	7.2
240.10481	1.2
245.04550	1.7
245.07944	2.0
245.13892	5.5
245.17587	2.8
246.11389	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	245.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.4
59.01379	43.8
70.45762	0.6
86.45544	0.2
98.22636	0.3
111.08111	0.3
113.09713	1.3
123.08146	0.3
125.09713	1.1
127.11264	1.6
137.09679	0.3
139.11273	1.4
141.09241	0.6
155.10793	3.0
157.12341	16.9
158.12657	0.3
169.32059	0.3
182.35745	0.3
185.11830	15.0
201.11301	0.3
203.12880	100.0
204.13210	2.6
228.07304	0.3
245.13934	6.4
248.54138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41761	0.5
51.42389	0.5
57.27660	0.4
59.01378	43.4
61.84575	0.4
65.67705	0.5
69.58876	0.4
70.97614	0.8
71.02297	0.4
79.68914	0.5
104.55162	0.4
127.11284	3.7
135.04536	0.6
139.11273	1.2
148.12447	0.4
155.10783	2.6
157.12338	19.8
158.12642	0.6
179.03401	0.6
185.11816	14.3
186.12183	0.8
203.12874	100.0
204.13170	1.8
245.13919	7.2
264.68857	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07772	0.4
58.19594	0.5
59.01387	1.2
69.14379	3.0
73.02934	0.6
98.22631	1.0
98.88500	0.5
119.05033	31.8
120.05375	0.5
120.86618	0.5
129.03455	0.9
133.25862	0.6
135.04565	0.8
142.06635	0.9
144.04588	0.6
145.02974	5.0
146.03725	2.1
146.06105	0.7
147.04515	9.1
159.22318	0.5
172.04034	5.2
173.04823	35.8
174.05609	83.3
174.99274	0.6
175.05974	2.0
179.03590	0.5
191.70689	0.6
202.05098	60.8
203.05434	2.1
204.06604	0.8
236.38895	0.5
246.04071	100.0
246.11116	3.7
247.04396	2.8
247.14603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12115	0.4
59.01373	3.0
60.57205	0.4
68.30336	0.4
70.57492	0.8
70.57868	0.4
72.00909	12.6
78.95892	0.9
91.05521	1.5
93.33542	0.4
96.96947	0.5
99.92580	0.9
101.45811	0.4
103.05559	1.3
103.92035	0.6
116.92863	0.5
123.21477	0.4
132.98230	0.6
147.04520	35.2
148.04883	1.0
158.93945	0.5
164.07161	100.0
165.07448	2.3
174.99274	0.5
186.95546	1.1
203.97299	1.0
246.07455	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	247.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54008	0.2
65.27758	0.2
87.00882	0.6
93.03451	0.7
99.20592	0.3
103.21063	0.2
112.98749	0.5
117.03474	0.6
118.03009	0.3
118.04121	0.5
119.05027	100.0
120.04594	0.4
120.05355	2.0
130.04277	0.3
131.05040	0.3
132.02182	0.2
132.05803	1.0
133.02953	1.2
133.05322	0.6
134.03738	2.8
135.04552	2.9
144.04549	0.5
145.02963	0.4
147.04506	1.0
151.03958	0.3
159.04477	0.2
160.01651	0.3
160.03993	0.6
161.02423	2.2
162.02856	0.2
162.05557	0.6
163.04013	0.4
174.03214	0.5
175.02676	0.3
175.04008	2.4
179.03522	2.0
189.01746	1.2
191.03557	0.4
201.01692	2.4
203.03481	0.4
205.13451	4.5
219.02968	0.8
232.12166	0.4
247.02573	1.7
247.14499	84.9
248.14822	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	247.1452
Annotation	NP 25302
Peak:m/z	Relative Intensity
51.06874	0.2
52.97145	0.3
59.01385	1.2
70.97271	0.2
89.02447	0.8
93.03466	0.6
117.03493	0.6
118.03019	0.2
118.04318	0.3
119.05029	100.0
120.04591	0.3
120.05354	1.9
121.02962	0.6
132.05809	1.1
132.98219	0.6
133.02945	0.3
133.05310	0.6
135.04472	0.2
144.04552	0.6
146.02521	0.2
160.04070	0.8
162.05562	0.8
165.01927	0.6
174.05510	0.4
174.99174	0.4
186.95616	1.7
188.07074	0.4
205.00156	0.4
205.13480	4.8
215.06987	0.3
232.12183	0.3
247.14505	84.6
248.12061	0.4
248.14793	3.2
254.04329	0.2
268.39429	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1451
Annotation	NP 25302
Peak:m/z	Relative Intensity
56.84983	0.2
59.01376	1.1
59.91586	0.2
70.95015	0.3
81.69749	0.3
85.51698	0.2
89.02473	0.9
90.97159	0.4
93.03461	0.8
117.03516	0.7
118.02996	0.4
119.05026	100.0
120.05360	2.4
132.05835	1.1
132.98187	0.6
133.05318	0.7
144.04590	0.4
160.04071	0.7
162.05592	0.7
174.99223	0.4
175.02730	0.3
180.91745	0.3
186.95595	1.8
205.00354	0.4
205.13446	4.4
232.12244	0.3
247.14502	84.9
248.14879	3.0
249.49020	0.3
249.92444	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1702
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.80487	0.1
59.01360	0.2
61.98809	0.1
63.10023	0.1
64.64468	0.1
70.11150	0.3
72.98325	0.1
85.58397	0.1
89.02380	0.1
94.94588	0.1
107.28687	0.1
174.91946	0.1
177.98871	0.1
204.15237	0.3
205.16035	0.3
220.17023	1.3
231.13876	0.6
247.17020	100.0
248.17377	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	248.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35305	1.1
59.01387	11.1
68.99574	78.6
71.01390	7.7
72.99300	1.3
73.02945	2.9
85.02938	6.4
87.00902	1.4
89.02470	1.4
99.00869	2.3
100.98827	1.7
101.02437	4.4
108.93710	1.6
111.00896	2.0
112.98566	100.0
113.02430	2.9
119.05028	3.3
130.08746	9.3
132.09966	1.2
133.01474	1.9
134.04752	1.8
148.98575	4.5
150.04216	3.1
161.04535	2.1
173.01059	1.2
174.96567	7.6
175.02492	2.9
175.06314	1.6
176.07118	5.8
176.94394	1.4
190.94379	1.7
198.87827	1.4
203.94577	4.3
203.99799	1.7
204.02792	3.7
204.06650	9.4
204.10396	1.8
204.94095	7.6
206.04428	6.5
219.08707	1.2
230.04411	1.4
247.98717	1.9
248.01288	2.4
248.05441	35.0
248.07954	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	249.004
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98743	0.3
57.01733	0.3
59.01388	2.3
61.81240	0.4
71.01373	0.4
82.12256	0.3
105.03464	2.3
120.19617	0.3
121.02964	11.5
122.03304	0.4
123.04520	0.9
133.02953	0.9
135.04507	0.6
148.01617	0.4
149.02444	40.1
150.02744	0.8
151.03986	0.5
175.00342	0.4
177.01930	100.0
178.02277	2.2
183.12997	0.4
205.01425	13.3
205.08781	0.4
206.01871	0.5
221.00934	0.9
249.00383	6.9
249.02885	0.5
249.04062	0.4
249.15033	0.4
250.14388	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.0
69.10185	1.2
69.10596	2.5
78.47263	0.5
85.02954	1.3
87.00875	26.3
91.10260	0.5
93.03459	0.7
95.81939	0.6
107.05013	0.6
109.02942	4.7
111.00871	0.8
112.98822	1.5
119.05049	2.5
129.01964	1.2
132.02180	0.9
133.02960	27.3
134.03688	2.3
135.04526	100.0
136.04861	2.1
137.02412	0.8
139.00383	2.2
144.95529	0.7
145.02950	0.8
161.02446	90.7
162.02811	2.1
163.03973	0.8
169.08841	0.5
177.05591	2.4
179.03499	32.4
180.03900	1.2
183.36513	0.5
186.51366	0.6
205.05022	5.8
249.04004	3.1
249.12405	2.2
249.14862	1.1
250.14455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20824	0.7
56.45290	0.8
59.01375	3.6
63.04875	0.7
71.01367	1.3
71.46355	1.1
72.22256	0.7
73.02939	0.8
74.93884	0.7
80.80798	0.8
87.00877	27.5
88.04039	23.4
91.05521	1.5
107.05021	1.2
109.02958	7.5
112.59661	0.7
112.98827	1.4
114.01948	1.3
115.00367	5.3
119.04984	10.7
120.05395	2.2
121.02966	1.2
132.03030	33.3
133.02951	23.8
134.03720	2.3
135.04526	100.0
136.04865	2.6
137.02397	1.4
139.00356	4.3
144.04588	1.3
146.74699	0.8
159.04495	1.1
161.02441	84.8
162.02812	3.0
163.04002	1.3
175.04106	0.8
177.02002	1.0
177.05553	3.1
179.03496	28.4
180.03746	1.0
205.05096	8.1
206.08286	1.3
207.06920	1.1
219.02927	0.8
249.04025	3.2
249.12396	5.8
249.15063	2.9
250.07172	7.2
250.14400	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	249.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	8.0
57.03441	5.8
59.01377	70.2
60.59446	1.0
67.01900	1.1
69.03432	1.6
71.01378	100.0
72.01721	1.2
72.99298	2.5
73.02941	36.4
75.00890	2.6
76.11953	1.0
83.01383	12.2
85.02946	46.3
86.00084	4.4
87.00871	13.7
87.04514	3.7
87.81535	1.0
89.02431	18.5
95.01377	7.8
97.02964	1.4
97.58050	1.2
99.00871	12.4
100.98844	1.0
101.02438	69.2
102.02789	1.3
110.93443	4.0
111.00871	4.3
113.02447	43.2
119.03532	5.6
119.05024	13.6
125.02454	2.3
129.01924	4.7
130.94391	3.2
135.04521	1.1
143.03481	2.5
144.95464	1.6
145.96695	1.2
147.94586	1.3
148.98564	1.4
150.94833	1.4
151.00151	1.2
159.02963	8.2
159.06622	9.7
161.02481	2.3
161.04556	35.1
165.95694	2.1
174.96568	1.4
175.02454	4.0
178.96034	3.1
186.92857	1.6
204.93982	20.7
207.96733	2.4
247.50464	1.1
248.92944	2.7
249.09746	7.1
249.12442	5.3
249.14818	2.0
250.14433	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	249.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.8
69.78443	0.8
69.95838	0.2
73.02980	0.3
87.00917	0.3
93.03441	0.3
96.95997	0.2
98.22630	0.5
100.37877	0.3
117.03461	0.5
119.05030	100.0
120.04527	0.5
120.05374	2.0
130.94406	0.8
132.05814	0.5
144.04590	0.8
145.06581	0.8
147.94733	0.3
149.02478	0.3
149.71829	0.2
162.05611	1.1
165.95644	0.4
172.07704	0.6
174.05560	0.5
177.01984	0.2
191.02032	0.3
201.64209	0.2
204.93958	0.3
207.11411	0.3
207.96716	0.7
249.12444	39.5
250.12386	0.6
250.14807	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	249.1496
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
59.01364	5.2
59.68470	1.5
61.98833	2.1
73.20502	1.5
78.26618	1.5
79.95735	2.4
80.02681	3.6
82.42927	1.6
89.71947	1.4
95.05031	6.9
106.04270	1.8
107.05020	2.7
135.08138	2.9
141.36278	1.5
147.83934	1.4
158.39244	1.5
161.09671	2.4
176.05609	1.7
177.12866	12.8
203.11591	1.4
203.14272	1.9
205.15981	100.0
206.16344	5.6
224.79080	1.7
249.14972	77.9
250.14462	24.9
269.50214	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
51.88105	1.7
57.03452	1.5
59.01379	10.4
61.98833	3.5
68.57868	1.3
69.03455	26.9
70.16694	2.9
70.17052	1.7
79.95737	1.4
94.45132	1.4
95.05019	4.2
96.96012	3.8
98.21989	1.9
111.08136	1.3
120.36570	1.3
134.07368	3.1
135.08173	1.3
149.13347	2.8
156.03886	1.4
167.10747	2.5
187.14940	3.6
193.12384	4.2
205.12363	7.4
205.15926	9.9
221.15443	13.5
231.13904	29.6
234.11435	1.4
249.14963	100.0
250.14505	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1496
Annotation	Sch 601254
Peak:m/z	Relative Intensity
55.62030	0.9
56.95532	0.9
59.01378	2.8
61.98817	1.8
70.16173	2.0
71.74598	1.1
75.63673	1.1
79.95745	1.3
84.85957	0.9
90.75454	1.0
96.76283	0.8
98.22736	1.1
148.11240	0.9
203.14386	5.2
205.15968	1.7
207.96729	1.0
249.14955	100.0
250.14500	18.9
265.19443	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.072
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28201	0.2
59.01375	2.1
61.98819	0.4
69.37787	0.7
69.38176	0.6
70.02978	0.7
70.61701	0.3
71.01382	6.3
87.92567	0.3
88.04040	79.8
89.04369	0.4
91.05530	4.5
96.99306	0.4
98.22571	0.5
105.01934	1.3
106.92716	0.2
114.01238	0.5
114.01968	5.2
115.00374	13.8
119.05104	0.4
130.94348	1.7
132.03026	100.0
133.03384	0.9
134.06102	1.0
135.04530	4.7
136.04843	0.3
145.96718	0.7
147.94606	0.8
165.95694	0.8
189.95667	0.7
206.08173	2.4
207.96741	1.8
232.06108	0.8
235.04689	0.4
250.07207	23.4
250.14453	8.1
250.17119	0.4
251.07565	0.9
251.14825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0719
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.52117	0.6
59.01374	1.1
71.01389	7.4
80.66587	0.7
88.04040	81.7
89.09385	0.7
91.05530	5.4
114.01956	5.0
115.00371	12.8
127.91940	0.9
132.03027	100.0
133.03368	0.8
135.04510	5.1
136.04913	1.1
162.02647	0.7
206.08279	2.2
210.88045	0.7
250.07184	23.7
250.14597	1.3
251.07584	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	23.6
59.01368	9.9
70.02975	13.2
71.42941	5.2
72.00918	6.1
88.04048	30.3
91.05540	26.2
105.01947	6.3
115.00396	5.3
119.05119	5.0
130.94370	15.5
132.03033	44.0
135.93646	4.5
145.96696	5.1
147.04512	35.1
147.94623	7.6
157.31319	3.9
163.03986	6.4
164.07161	100.0
165.95641	6.2
178.18185	4.6
184.73560	4.6
206.08218	85.1
207.96742	10.8
234.11232	4.3
250.07147	11.3
250.12053	8.1
250.14467	94.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56377	5.7
59.01383	68.9
65.72701	5.9
69.52175	18.5
72.50156	5.3
79.40908	5.9
98.21916	12.1
119.05026	9.5
132.03003	8.8
147.04535	100.0
163.00337	5.9
165.05579	73.2
166.08931	6.8
208.85361	5.5
209.08163	8.3
250.14444	23.0
251.14874	37.6
272.45099	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	251.0562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.5
69.15904	1.8
71.05022	0.5
72.99306	2.3
75.00878	4.6
83.87215	0.3
85.63652	0.3
98.21857	0.6
105.01936	100.0
106.02265	0.9
117.03468	2.5
119.05032	8.7
120.05358	0.4
123.08135	0.8
145.02953	15.2
163.04016	9.4
189.12816	0.4
207.13905	2.6
250.14430	0.6
251.05716	0.9
251.12881	3.2
251.14940	0.8
261.62918	0.3
262.86508	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36086	1.3
53.58670	1.3
54.08561	1.7
55.01880	11.0
57.03440	7.0
59.01379	99.0
69.03448	1.6
71.01380	100.0
73.02947	43.9
74.02505	1.9
75.00845	3.5
78.95909	2.7
80.96544	2.6
83.01379	18.8
84.02214	1.4
85.02949	52.5
87.00885	4.8
89.02441	24.7
95.01384	8.5
99.00882	12.8
101.02445	99.6
102.02787	2.0
111.00853	1.9
113.02449	37.2
119.03482	8.5
129.01917	3.1
134.88234	1.6
135.03146	3.8
143.03476	2.4
151.69955	1.5
152.93687	5.8
153.03181	1.9
159.03018	10.0
161.04559	57.3
168.91454	4.2
179.05788	1.6
190.85222	1.9
210.12506	7.6
221.09264	4.5
250.98927	3.3
251.11345	34.3
251.14861	6.7
252.14734	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	251.1289
Annotation	Frequentin
Peak:m/z	Relative Intensity
57.32764	1.1
59.01385	5.6
60.20901	1.1
65.03946	2.0
69.03471	1.3
71.01367	1.1
71.05006	2.5
77.23711	0.9
79.95370	0.9
79.95741	10.8
80.96484	1.3
81.03451	17.8
82.11024	1.3
83.05023	5.7
95.05022	2.1
97.06571	5.1
108.02150	1.8
109.05904	1.3
109.06597	13.4
110.03699	1.6
111.40063	1.0
121.06596	1.9
123.08138	3.9
125.09724	23.1
135.08176	2.4
136.55418	1.0
147.02480	1.2
163.11301	10.8
169.08711	12.2
177.03499	1.3
179.14397	11.5
189.12782	1.7
207.10242	9.5
217.09018	1.1
223.13394	100.0
224.13640	4.0
227.53487	1.0
233.11755	4.8
251.12799	44.6
251.14774	3.4
251.16701	3.3
252.07390	6.4
252.13084	2.4
256.58075	1.1
258.61240	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
54.95115	0.9
59.01371	1.5
61.98836	1.7
71.37684	1.0
92.92807	0.9
94.71651	0.9
126.90392	1.0
128.61971	0.9
129.99425	1.0
147.34549	0.9
164.66743	0.8
168.91434	1.3
175.11322	3.2
207.17603	1.3
219.10236	5.5
251.16577	100.0
252.16869	3.2
271.91016	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1652
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03446	5.8
59.01373	1.1
69.03454	10.1
70.46606	0.5
71.05012	3.4
79.95736	16.6
81.03444	0.5
83.05009	0.6
83.93253	0.4
85.06583	1.1
93.97410	0.4
97.06601	0.5
98.03729	0.9
99.03902	0.9
99.04517	12.9
112.49226	0.4
112.68985	0.5
125.09676	1.0
169.08713	1.0
179.14447	1.4
181.12296	0.6
188.11186	1.4
191.14438	1.1
223.13434	2.6
251.16544	100.0
252.07336	7.2
252.16913	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	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	2.3
59.01638	0.5
61.98829	1.2
70.86776	1.2
70.87139	0.5
71.05017	20.1
95.64325	0.6
97.06598	2.2
99.08167	0.6
109.06593	0.7
114.17140	0.6
130.99794	0.6
167.10811	1.6
168.91351	0.9
177.12949	1.4
179.10809	2.1
195.13965	1.4
207.17551	1.9
233.15503	0.9
237.05679	1.1
251.16545	100.0
252.16811	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	251.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01369	2.0
60.39507	0.9
61.98829	1.5
69.22269	0.9
69.93094	2.7
77.08984	0.8
83.50676	0.9
92.92805	1.1
107.05038	3.3
125.09753	5.1
126.90349	1.4
153.48894	1.1
168.91409	1.8
200.40977	1.0
207.17590	1.4
221.00891	0.9
233.15721	1.4
251.16579	100.0
252.16887	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	251.1653
Annotation	Hanalpinol
Peak:m/z	Relative Intensity
57.03442	6.1
59.01367	0.8
63.06600	0.6
65.79631	0.5
67.74257	0.6
69.03457	8.8
69.65665	2.0
69.66017	0.7
71.05032	2.9
85.06573	1.0
98.03748	1.1
99.04520	12.7
109.26002	0.6
152.29320	0.7
168.91460	0.8
179.14436	0.9
181.12462	0.8
207.17511	3.0
251.16554	100.0
252.16930	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	253.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59583	0.5
59.01379	100.0
60.01713	0.6
69.91126	1.2
71.01384	3.8
72.99311	9.9
73.02945	1.9
74.96202	0.5
78.91900	0.7
78.95890	2.6
85.02957	1.2
89.02448	3.2
90.93633	0.5
94.92487	0.9
96.96052	0.8
96.96940	0.7
98.22546	0.7
98.47630	0.5
99.00934	1.1
101.02469	1.7
110.92691	0.7
111.00881	10.1
112.98589	1.3
113.02467	1.2
115.00424	1.4
117.01917	2.4
119.03508	0.8
125.45664	0.5
132.99075	0.6
133.01419	2.7
136.98569	14.7
141.98035	2.6
142.98885	0.8
151.00117	13.1
152.95998	0.9
154.01297	0.6
154.91637	0.9
154.97556	15.7
154.99603	16.0
161.04611	0.9
170.96906	0.9
176.98128	1.6
178.96078	0.9
182.98068	1.4
192.97659	0.5
193.07216	1.1
194.99138	4.6
208.95976	6.5
252.95067	1.3
252.97391	1.4
253.09366	2.7
253.21803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.75441	0.5
71.01395	0.9
71.45436	0.6
72.91013	0.5
83.40978	0.6
85.02878	0.5
85.53302	0.4
86.07504	0.5
89.02496	0.5
101.02451	0.6
111.02031	0.7
193.07214	1.4
199.19809	0.5
207.42371	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87791	0.4
59.01380	19.6
61.98812	0.3
66.36952	0.4
69.15553	1.4
69.15962	0.9
70.97137	0.4
71.01397	0.4
72.37016	0.4
99.92582	0.6
119.91705	0.4
121.03001	0.5
125.09751	2.0
127.11321	2.2
139.87834	0.4
153.09224	0.4
165.09073	1.0
170.88332	0.6
171.10271	100.0
172.09364	0.4
172.10594	2.6
193.08459	21.8
209.08058	0.5
216.97227	0.4
217.84991	1.8
235.13376	0.5
253.10751	4.9
253.14516	1.2
254.10603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1445
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.17349	1.3
57.03429	4.8
58.71297	1.6
59.01382	25.7
67.01891	5.1
69.03456	8.6
69.79534	2.5
71.05014	7.5
80.02655	2.0
81.03454	70.5
83.05027	52.6
83.05453	1.0
84.02168	4.6
94.04279	1.5
95.05032	10.5
95.39217	1.8
95.46097	1.3
96.02139	2.4
97.02943	16.7
97.06580	6.8
98.03735	4.0
99.04518	95.9
99.34872	1.4
102.68781	1.5
108.88531	1.4
109.06580	6.3
109.48857	1.4
111.04523	20.3
113.06086	1.8
123.04542	1.9
123.08141	2.1
125.09724	1.5
127.11336	2.0
137.06126	1.5
137.09697	2.0
150.20045	1.4
153.09180	3.4
155.10774	6.4
161.77870	1.5
163.11308	2.3
171.10280	36.7
175.11287	3.6
176.28745	1.4
191.14384	18.3
193.12318	46.3
194.12646	1.6
200.76208	1.6
201.20549	1.5
207.13844	7.1
209.11838	5.1
209.15445	4.5
211.13336	2.6
217.12364	2.3
217.85020	2.1
225.14832	2.8
235.13377	100.0
236.13748	2.1
253.14442	86.7
254.14848	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	253.1446
Annotation	Russulanorol
Peak:m/z	Relative Intensity
56.75962	1.7
57.03444	6.5
58.42269	1.4
59.01380	39.5
61.09448	1.6
61.98818	1.5
67.01895	2.8
69.03455	7.6
70.90037	2.2
71.01369	2.0
71.05013	6.9
80.02686	3.1
81.03458	60.9
81.03941	3.1
83.05032	42.9
84.02177	5.5
85.02959	1.5
95.05032	10.4
97.02937	11.5
97.06589	3.5
98.03748	3.4
99.04523	87.4
101.06081	14.8
109.06603	7.8
109.53134	1.9
111.04520	14.1
121.03098	1.6
123.08180	2.7
124.05236	1.8
125.09727	2.5
133.03535	1.7
137.06047	2.0
137.09721	2.2
151.07643	7.2
153.09154	3.7
155.01962	1.5
155.10767	5.4
158.45978	1.7
168.08011	1.6
170.88383	4.5
171.10280	37.1
175.11253	1.7
191.14432	15.6
193.12344	42.2
194.92834	2.3
196.07448	7.4
197.15424	2.1
207.13879	9.2
209.11859	5.7
209.15453	10.4
211.13446	2.7
217.12285	3.5
217.84897	8.8
225.14928	4.7
235.13385	100.0
236.13852	3.1
253.14458	92.5
254.14845	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	253.1446
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
51.88196	2.1
52.44899	1.8
57.01737	2.0
57.03446	3.5
59.01380	100.0
69.03461	27.7
71.01373	5.6
71.46917	2.0
83.05045	12.1
95.05013	5.9
107.08646	8.2
113.06088	3.4
115.04005	15.4
121.02977	3.0
123.08173	25.5
133.10205	3.7
137.06105	4.5
139.07614	5.4
161.04559	2.1
161.13377	9.8
167.07129	7.5
170.88261	3.4
171.10324	10.8
173.13303	5.6
191.14455	3.0
193.07106	3.7
205.12346	2.0
209.07692	2.1
235.13324	10.4
245.35039	2.0
253.14450	94.9
254.14786	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	253.1446
Annotation	Russulanorol
Peak:m/z	Relative Intensity
57.03438	1.9
59.01380	8.8
65.03963	60.6
66.04276	1.0
70.34776	1.0
70.35094	0.7
80.02683	1.6
81.03458	4.7
83.05029	13.4
95.05014	0.9
97.06591	5.8
98.21938	0.7
101.37660	0.6
110.03740	2.1
123.08149	2.5
125.09727	44.5
163.11293	3.9
165.12839	2.0
169.08786	0.7
173.13298	0.9
191.10762	1.1
207.13879	2.3
209.11829	77.4
210.12169	2.4
217.12375	2.1
217.84923	3.3
235.13383	100.0
236.13692	3.6
253.14409	2.2
253.21651	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1446
Annotation	Aspergillide A
Peak:m/z	Relative Intensity
57.03436	2.7
59.01379	41.4
69.03441	2.4
69.16547	4.3
71.01359	1.1
71.05016	7.0
81.07078	1.5
83.05023	2.3
95.05036	2.2
95.59710	0.9
96.96023	1.0
97.06606	6.9
99.08141	1.0
102.13078	0.9
107.08659	2.9
108.45100	0.7
111.08150	1.7
121.02901	1.0
133.10262	1.4
136.05341	1.3
137.06067	3.5
137.09753	0.8
141.05576	18.2
161.04491	0.8
161.13437	4.5
163.11264	0.9
170.88443	1.0
173.13371	4.2
175.11317	1.5
177.09093	1.3
191.14418	7.7
193.07161	1.3
205.12291	1.2
209.07965	1.5
209.15466	4.9
217.12369	1.2
223.13417	3.6
227.16521	17.6
235.13387	15.3
253.14444	100.0
254.14824	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	253.181
Annotation	7,15-epoxycaryophyllane-3,5beta-diol
Peak:m/z	Relative Intensity
53.41110	0.7
53.76076	0.7
57.03452	0.8
59.01378	15.6
69.75904	2.6
72.12696	0.9
99.08121	1.3
111.08156	4.4
123.08165	2.0
125.09835	0.8
127.11246	0.9
209.15417	1.5
209.19153	2.6
225.18646	1.7
253.18086	100.0
253.21707	33.5
254.18456	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	253.1808
Annotation	Chrysanthetriol
Peak:m/z	Relative Intensity
51.29993	0.4
54.42329	0.4
57.03439	0.5
59.01078	0.6
59.01377	9.2
69.01445	0.4
69.41031	1.7
71.01374	0.7
71.05014	2.6
83.05032	0.8
89.02458	0.5
90.99123	0.5
91.34332	0.4
106.93140	0.4
140.39246	0.4
152.68779	0.4
170.88358	1.2
171.10266	1.4
179.14484	0.7
179.96581	0.5
181.12228	0.7
188.63766	0.4
195.13893	28.0
196.14175	0.8
213.69720	0.5
217.16119	0.6
217.85040	1.6
219.68820	0.4
235.17017	25.4
236.17302	0.8
253.18082	100.0
254.18481	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	253.2173
Annotation	Delta2-trans-Hexadecenoic Acid
Peak:m/z	Relative Intensity
59.01387	1.9
59.25861	0.4
61.74463	0.4
71.29896	0.5
75.41360	0.4
94.47809	0.4
112.25973	0.4
113.05360	0.4
185.53152	0.6
217.85010	0.8
250.26527	0.5
253.21719	100.0
254.22083	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	253.2173
Annotation	Sapienic acid
Peak:m/z	Relative Intensity
59.01368	68.7
70.97695	22.6
97.39586	22.0
136.98744	27.2
152.30670	19.1
209.15472	25.0
217.84927	73.4
253.21736	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	2.9
67.01882	2.2
70.02341	1.9
74.61024	0.5
75.00866	1.3
78.64162	0.6
78.95911	10.8
79.78971	0.6
85.81647	0.6
93.81179	0.6
96.96021	0.8
98.22496	0.8
111.00888	26.5
112.92300	2.4
117.00431	1.0
123.24786	0.7
125.87250	0.7
131.08276	5.4
133.03944	0.7
136.93985	0.7
139.02449	1.0
141.00412	1.0
141.04092	12.0
143.02017	10.3
149.00943	5.2
150.98886	4.8
152.91782	4.4
154.93364	1.2
156.90234	0.6
165.00363	1.1
167.01961	3.0
168.99936	13.7
172.00993	1.2
173.10493	3.3
183.01465	5.8
185.03061	73.5
186.03232	3.0
186.89043	0.6
192.99915	8.0
194.92834	6.1
194.94048	1.2
211.00984	100.0
212.01169	5.5
212.93715	0.7
216.90796	0.6
219.84529	4.0
230.08827	0.8
236.94965	0.7
236.98923	6.3
238.06786	2.5
254.93503	1.7
254.95955	1.3
254.99960	21.1
255.08316	5.1
255.23294	43.9
256.00293	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06704	0.6
56.09405	0.6
59.01378	25.4
67.01870	2.6
69.88479	1.6
71.01377	2.5
72.99294	2.4
75.00848	1.8
78.95905	10.2
78.96598	0.7
83.01372	1.4
85.02942	1.3
87.00842	2.2
96.96938	0.8
98.22505	1.0
99.00870	1.9
101.02461	0.7
110.92564	0.9
111.00881	26.1
112.98650	1.3
117.00479	3.8
118.38833	0.7
123.02966	0.9
124.98766	1.1
125.00949	1.5
126.90452	0.8
130.08737	1.1
134.04665	1.1
139.02505	2.0
141.00438	3.4
141.04083	13.1
142.04210	1.1
143.02014	11.6
149.00937	6.3
150.98892	4.7
156.91293	1.2
156.99098	5.0
157.21141	0.8
159.01460	2.9
165.00371	0.9
167.01999	4.9
168.99942	13.1
170.96948	1.0
183.01479	5.7
185.03055	71.3
186.03162	2.4
192.00369	0.8
192.99907	8.9
194.93712	2.8
211.00981	100.0
211.99297	1.4
212.01166	4.4
212.98947	0.8
213.07262	1.1
227.00476	0.8
228.07375	0.9
228.42378	0.8
230.08867	1.8
236.98907	8.5
254.95644	1.5
254.99971	25.9
255.05708	0.7
255.08325	14.0
255.13461	1.0
255.23294	38.4
256.00327	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	254.9996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.8
59.98280	0.5
60.01723	0.6
61.98830	1.1
67.01886	2.0
68.99547	0.6
71.01395	1.4
71.14261	0.8
72.99306	0.8
74.99367	0.9
75.00873	2.4
78.95903	2.5
80.91678	11.9
83.01382	1.0
85.02947	0.7
99.00881	1.4
111.00880	29.2
112.98857	0.7
117.00431	1.5
135.04550	0.7
139.02548	1.5
141.00427	2.5
141.04083	16.0
142.04356	0.8
143.02010	11.7
149.00957	6.6
150.98836	5.4
150.99980	0.8
154.93370	0.6
159.01559	0.6
163.43591	0.5
165.00392	1.6
167.01971	4.7
168.99936	14.7
170.00072	1.0
174.97589	0.6
183.01497	5.6
185.03055	82.0
186.03232	4.2
192.99899	8.2
193.01604	0.6
211.00980	100.0
212.01167	5.9
236.98907	6.7
250.94559	0.7
254.34782	0.6
254.99968	24.1
255.23283	21.8
256.00198	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1139
Annotation	3-Isopropyl-4-methyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinoline-1,9(4H)-dione
Peak:m/z	Relative Intensity
57.03481	0.4
61.98822	0.4
65.03952	0.5
70.06929	0.7
70.07265	0.7
75.00867	0.5
78.95906	0.9
87.10407	0.3
92.05063	0.4
95.05017	1.3
96.96046	0.4
108.04551	0.6
109.41282	0.3
120.04531	1.9
122.06109	1.5
132.04533	0.7
133.05325	0.5
134.06113	5.9
145.05325	1.6
146.06140	0.5
152.91748	1.8
159.05647	2.9
160.06487	0.8
162.05608	0.4
167.90466	0.4
171.09990	0.4
182.06117	2.9
187.08905	0.4
194.92764	3.1
196.07695	1.9
197.08415	1.4
197.90239	0.5
211.13435	0.6
212.10811	9.7
212.93840	0.5
213.11206	0.5
219.84552	2.4
225.06693	1.8
226.07486	5.4
228.10272	0.6
239.08250	6.7
240.09039	14.2
241.09451	0.6
250.83759	0.3
255.11377	100.0
255.23289	12.5
256.11652	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	255.1213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24577	0.5
59.01377	13.5
71.17699	0.6
76.38857	0.4
78.95918	0.6
83.01363	0.5
95.54948	0.5
99.92605	1.4
104.49210	0.5
114.93489	0.5
119.08430	0.5
125.09671	0.5
127.11285	4.8
140.32033	0.7
152.91776	3.5
155.10716	1.1
169.12250	0.6
171.10245	1.6
173.11818	100.0
174.12146	2.8
184.87636	1.9
191.76979	0.5
193.08441	1.0
194.92767	5.9
195.10031	0.9
201.83464	0.8
202.88751	1.7
211.11746	1.0
212.93925	0.7
213.09767	1.0
217.84941	1.3
219.10201	1.3
219.84532	65.1
234.15657	0.5
237.11293	1.7
239.08859	0.5
244.37300	0.4
254.85619	0.7
255.12349	11.9
255.15172	0.6
255.16028	0.7
255.23274	23.6
255.82182	2.7
256.04156	1.4
256.12259	0.7
256.23679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.2324
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
60.29934	0.3
69.33897	1.7
79.40430	0.3
83.24558	0.4
167.03481	0.4
194.92645	0.4
255.06441	0.5
255.23286	100.0
256.19400	0.5
256.23624	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	255.2329
Annotation	2-Hexyldecanoic acid
Peak:m/z	Relative Intensity
50.07156	0.3
64.99018	0.3
67.56156	0.3
69.86092	0.7
69.86475	0.7
72.99297	0.3
83.74451	0.4
117.14235	0.4
184.87711	0.4
219.84554	8.6
237.22150	0.4
255.06290	0.8
255.23282	100.0
256.23624	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	256.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33043	2.0
60.68890	2.2
61.05413	2.1
61.98829	100.0
68.41586	2.0
68.92414	1.9
70.38783	2.2
70.96705	2.4
122.49783	1.9
167.69606	1.9
172.84436	2.4
193.05043	8.0
219.84485	7.0
255.23264	41.3
256.23657	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	256.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44841	0.4
52.82634	0.4
59.01368	1.6
69.18700	1.1
69.19103	1.6
70.02976	0.7
70.86099	0.4
71.01382	8.0
77.96104	0.5
88.04041	100.0
89.04371	1.2
96.99319	2.1
101.06285	0.5
102.05608	3.6
103.69738	0.4
114.01968	3.9
115.00376	15.6
117.69050	0.4
123.08164	0.7
127.07674	1.0
128.03554	0.5
132.03033	25.8
133.03284	0.4
140.10834	4.6
141.09216	8.7
146.04604	0.9
160.72969	0.4
168.13922	0.5
194.11839	0.8
212.12941	7.3
238.10815	3.2
242.02226	1.0
255.23367	0.6
256.11902	56.6
256.23621	4.6
257.04443	0.6
257.12173	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	257.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08202	1.1
55.01867	1.6
57.03443	8.2
57.53732	1.1
59.01375	2.9
69.18842	6.2
70.16734	1.4
71.01364	1.3
75.69054	1.1
83.05024	2.8
84.13874	1.3
85.02956	30.8
86.90632	1.2
88.04049	1.6
99.04551	1.3
109.06595	1.3
123.99480	1.3
125.09728	4.1
127.11297	5.5
155.10706	2.7
165.09193	1.6
169.12364	7.2
171.10272	100.0
172.10728	1.9
177.12907	3.3
190.25992	1.5
195.13889	1.9
199.09538	1.5
201.11334	35.2
203.10764	5.5
213.11316	13.5
219.84579	11.5
220.84549	3.2
221.11797	17.9
221.84236	21.5
227.07750	1.3
239.12881	62.3
242.10498	2.2
257.13705	8.1
257.17636	1.4
257.24002	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	257.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	52.5
59.01368	3.1
69.44999	1.7
69.45397	2.3
70.67307	0.8
71.01363	0.9
72.99290	2.0
74.02472	3.1
82.02975	2.6
83.52439	1.0
84.04542	11.3
85.02975	1.0
98.21969	2.2
100.07667	1.8
128.03529	7.2
128.10818	5.4
141.10335	1.4
147.73001	0.8
154.12366	3.8
169.13492	1.6
171.15033	26.2
195.10275	1.3
197.12949	52.2
198.13290	1.4
213.16113	10.1
215.13992	44.7
216.14273	1.8
219.84561	6.7
220.84529	1.2
221.84276	8.0
242.10457	1.2
257.04871	1.4
257.10403	2.8
257.15076	100.0
258.15280	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	257.176
Annotation	Tetradecanedioic acid
Peak:m/z	Relative Intensity
57.45698	0.5
59.01384	6.0
70.48974	0.7
71.01371	2.8
83.04989	0.8
85.06533	0.6
87.00867	0.9
97.06590	0.7
113.06088	9.9
113.09709	3.5
121.34204	0.6
133.02937	0.8
135.04581	2.6
135.11751	0.6
143.10785	9.4
161.02448	1.0
179.03542	1.5
179.10765	0.6
193.15988	0.9
195.17522	0.9
219.84541	3.7
220.84550	0.7
221.84250	6.9
239.16518	2.0
257.17584	100.0
257.81891	0.7
258.17902	4.1
258.20493	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.2123
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.01871	0.6
62.05303	0.4
69.71614	1.5
72.99293	0.5
90.35056	0.3
94.84702	0.5
116.92857	0.7
120.81599	0.4
142.05389	0.4
183.17552	0.9
207.17580	0.7
209.19093	3.9
211.20674	64.3
212.21042	2.5
219.84518	1.6
221.84245	3.8
239.20183	1.4
257.21222	100.0
258.21570	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	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74490	0.7
57.03440	1.3
58.02970	1.2
59.01379	32.2
60.28826	0.8
61.98826	5.6
64.76112	0.7
69.13987	4.5
69.87915	0.7
71.62679	0.7
72.04558	1.3
72.99308	0.9
73.42673	0.7
78.30923	0.8
78.44109	0.7
78.95941	0.7
85.02951	23.5
93.91989	0.8
98.61217	0.8
127.87072	1.3
129.01987	2.7
142.12381	22.2
143.99200	0.8
154.12384	7.7
168.10234	4.5
170.11865	34.4
198.11359	100.0
199.11749	4.3
203.97328	1.2
216.12410	77.7
217.12781	2.3
219.84514	10.2
221.84245	18.0
257.94797	1.1
258.13110	5.9
258.15494	3.0
268.60367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05926	0.4
59.01369	1.3
69.35326	0.4
69.66921	1.3
70.02998	0.9
71.01385	11.9
88.04041	100.0
89.04368	0.7
96.99326	4.2
98.22562	0.9
101.67007	0.5
107.60247	0.4
114.01987	4.1
115.00375	17.5
132.03021	9.2
142.12375	45.3
143.10779	17.6
143.12599	0.9
144.11172	0.5
168.13951	0.7
171.00821	0.5
196.13364	2.6
214.14488	14.8
215.58720	0.5
219.84572	1.5
221.84230	2.6
223.29842	0.5
240.12390	3.5
258.13449	85.7
259.13852	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	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.5
61.98827	2.6
70.25897	1.9
72.04552	2.7
84.16331	0.8
85.02947	23.6
101.02487	1.2
121.47297	0.8
125.93200	1.1
128.10806	1.3
129.01949	3.5
142.12378	17.6
154.12378	6.6
168.10271	5.7
169.08786	1.0
170.11868	39.0
170.13339	1.9
171.12224	0.9
180.10342	0.9
198.11359	100.0
199.11714	2.2
216.12399	72.2
217.12718	2.1
219.84540	6.0
221.84271	12.1
240.10318	1.2
258.13458	5.1
261.16031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	2.6
62.89877	0.6
69.09115	2.8
69.09523	1.7
74.02489	1.8
79.91268	0.7
84.04542	2.1
84.09616	0.6
100.04072	1.2
100.07670	1.1
102.05611	100.0
111.08154	1.0
112.89581	0.7
128.03545	88.2
128.10826	8.2
129.03891	1.4
129.09216	45.8
130.09561	1.0
139.30507	0.6
146.04596	21.5
154.12419	1.1
168.13921	1.1
170.15518	12.8
196.13416	2.3
214.14490	15.8
219.84453	3.7
221.84236	8.4
240.12415	16.8
243.62843	0.6
258.13461	96.6
259.13702	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	258.9917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58165	0.4
57.44846	0.5
59.01373	1.3
71.42989	0.6
74.49028	0.5
79.22219	0.4
79.95745	0.8
96.96019	7.6
96.96961	0.6
101.02477	0.8
107.05015	1.1
116.92914	0.6
117.62027	0.5
129.01927	1.4
130.08737	2.0
134.03752	2.0
135.04526	100.0
136.04858	1.8
179.03500	82.8
180.03827	1.9
199.09834	0.6
215.00243	1.9
221.84175	1.0
222.84109	0.6
223.84009	0.6
229.11909	0.9
231.11391	1.5
258.99164	30.3
259.11163	3.3
259.99344	0.7
260.11243	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9917
Annotation	Caffeic acid 3'-sulfate
Peak:m/z	Relative Intensity
57.88017	0.6
59.01388	1.1
59.41690	0.6
59.58079	0.5
60.51364	0.5
68.88876	0.5
69.75787	1.7
75.98255	0.5
78.91908	1.0
78.95893	0.8
79.95747	0.9
96.96011	8.3
96.96970	0.8
110.16199	0.5
116.92858	1.0
130.08754	1.1
134.03766	1.6
135.04530	95.0
136.04866	1.9
143.11920	0.8
171.82430	0.6
179.03497	100.0
180.03859	2.3
198.99353	0.5
215.00200	1.5
220.84479	2.1
221.84232	8.6
222.84196	5.7
223.83969	5.6
229.11986	0.8
234.18988	0.5
258.99161	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0226
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05577	0.7
58.73180	0.6
59.01382	1.2
69.72639	1.5
69.73003	1.5
71.56018	0.8
78.95905	98.1
85.02953	0.6
90.71668	0.6
96.96963	100.0
98.21940	0.8
101.02497	1.1
111.07785	0.7
129.44530	0.7
138.98033	4.5
168.99071	3.0
176.90054	1.9
176.98105	2.9
199.00119	3.6
209.62279	0.6
216.90562	0.8
241.01166	1.8
259.02219	33.1
260.02643	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0224
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33884	0.7
57.03435	1.4
59.01375	2.4
69.78748	2.2
70.02942	0.8
71.01389	5.4
72.99315	0.7
73.02962	1.8
78.91886	1.3
78.95905	100.0
79.37187	0.7
83.01392	1.9
85.02948	2.3
87.00884	2.7
88.04019	0.8
88.98801	2.3
91.14009	0.8
96.00901	0.9
96.96962	76.4
99.00875	19.1
101.02450	1.6
102.05591	0.9
108.47768	0.8
111.00875	6.7
112.98816	14.4
115.00361	1.7
116.07177	1.6
119.05063	0.9
128.03543	2.3
129.01961	4.5
129.10335	1.5
130.08760	2.9
135.04549	0.9
138.98051	5.1
145.01457	0.8
147.03009	1.3
147.04564	1.1
159.02992	2.0
160.81516	0.7
168.20782	0.7
168.99110	2.4
171.15027	0.9
173.00943	2.2
175.02481	0.8
175.03990	1.7
187.75111	0.7
191.02077	1.8
199.00180	2.4
205.03493	1.1
209.53670	0.6
215.14044	0.7
215.73215	0.7
217.11078	0.7
235.36981	0.7
241.01193	2.2
259.02222	36.3
259.13000	4.0
260.02771	1.1
267.88284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0225
Annotation	Unknow
Peak:m/z	Relative Intensity
60.79273	0.7
70.28748	0.9
70.29066	1.3
77.97858	0.8
78.95902	100.0
96.96960	100.0
98.22018	1.1
122.20437	0.9
125.29471	0.9
132.02985	1.4
138.98036	4.7
168.99068	3.5
176.90027	3.0
176.98109	4.0
199.00117	4.2
207.71814	1.3
241.01138	1.5
258.92725	1.1
259.02225	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0755
Annotation	Biotin sulfoxide
Peak:m/z	Relative Intensity
52.63592	1.1
59.01366	3.9
59.02488	3.8
63.86327	1.0
64.95038	1.1
70.47529	1.7
71.01367	1.5
73.01172	1.8
78.91882	3.2
78.95901	12.4
82.02969	2.6
88.02221	1.5
95.02505	1.9
96.96953	7.1
99.00861	2.7
101.02439	11.2
111.05645	4.1
112.98814	2.0
114.03819	1.5
120.08182	1.9
123.05611	3.0
128.03508	2.2
130.08740	24.4
138.09338	1.5
141.10315	1.2
151.08745	2.6
154.06956	4.3
157.04462	1.4
158.07184	1.2
163.08817	6.3
164.07126	3.1
169.09840	12.2
171.15016	1.8
176.98085	3.7
182.08220	2.4
197.07568	11.9
197.12878	5.5
198.05934	3.8
214.24957	1.4
216.06923	4.8
220.84508	4.8
221.84262	13.6
222.84236	5.5
223.83884	10.1
241.06540	9.3
241.11908	14.2
251.61906	1.3
259.02191	5.4
259.07553	100.0
259.13058	8.0
260.07739	1.9
275.90091	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.7
59.01381	20.6
69.11591	4.5
72.99303	1.0
86.63393	0.8
127.11384	0.7
137.09711	6.3
153.09142	0.9
155.10780	100.0
156.11121	3.3
157.85561	0.7
171.10269	23.9
181.08688	1.8
199.09755	35.3
200.10146	1.6
212.31992	0.6
215.13055	0.8
217.10806	99.1
218.11168	2.6
220.84558	1.0
221.84238	2.8
223.83920	1.4
259.06219	1.3
259.11862	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	259.155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	11.8
59.01385	0.8
67.01873	0.4
69.03457	30.9
75.56196	0.4
82.26802	0.4
85.02461	0.5
85.02976	1.4
87.00859	0.7
87.04519	2.6
88.19345	0.4
125.09729	1.3
127.11301	1.8
169.90399	0.5
171.10272	65.3
172.10535	2.2
197.19505	0.5
201.11369	1.0
220.84653	0.8
221.84293	4.0
222.84276	0.7
223.13403	0.9
223.83960	3.0
241.14449	1.1
259.15500	100.0
260.15927	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0437
Annotation	CLONIXIN
Peak:m/z	Relative Intensity
54.47617	0.2
57.65831	0.3
59.01382	1.5
63.96228	0.5
69.30079	1.6
71.01385	0.6
74.02464	1.0
79.95735	30.7
80.96519	12.2
83.16927	0.3
95.04992	0.4
96.96011	2.3
97.86141	0.2
97.98109	0.3
98.02445	0.4
98.49553	0.3
101.02405	0.5
103.01489	0.4
106.04273	0.4
109.06596	0.6
111.04514	0.8
116.03536	0.8
120.81538	0.3
132.04544	0.8
135.08177	0.5
137.09721	2.4
138.52505	0.3
141.40285	0.3
149.06076	0.9
153.09209	0.5
171.10254	0.4
172.99124	5.4
173.99850	0.5
175.64821	0.3
181.08705	11.0
182.09039	0.3
188.01514	5.1
189.02213	0.7
201.02228	0.7
202.02908	0.4
217.05376	4.5
243.03308	8.2
246.02101	0.7
261.04373	100.0
262.04678	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	261.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.08784	1.0
59.01380	33.1
70.02943	1.1
72.99304	1.8
74.02466	6.8
77.70244	0.9
77.76232	1.0
84.99307	1.3
87.00879	22.3
98.02474	2.3
101.02959	1.1
103.00380	17.7
112.98815	28.2
116.03536	2.4
117.92600	1.1
119.05034	1.3
129.09224	100.0
130.09579	1.3
130.84746	1.1
130.98943	1.0
130.99863	2.9
132.04520	2.2
134.03662	1.5
149.00912	2.7
208.75386	1.1
230.21524	1.4
261.09845	13.4
280.11026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73380	0.4
59.01379	1.8
69.62688	1.5
70.72720	0.4
72.00886	0.4
74.02479	1.2
78.95905	0.8
80.70699	0.3
80.91665	0.5
96.96973	0.8
103.92058	1.0
112.05564	0.3
116.05067	3.2
116.80049	0.4
117.03471	0.6
119.05032	68.1
120.04554	3.4
120.05386	1.4
125.09763	0.5
142.06638	0.9
144.04553	3.4
147.03215	0.6
159.09265	0.6
162.05617	100.0
163.05949	2.7
171.90921	0.4
174.05579	0.6
178.95076	0.5
181.05139	0.3
203.08275	6.6
222.84303	0.5
223.55476	0.3
223.83977	1.8
225.06590	0.5
244.09795	8.3
261.01407	0.6
261.04095	3.9
261.12439	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	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14822	1.2
54.43343	1.1
57.03416	1.0
58.00610	1.2
59.01377	10.0
69.19566	5.3
71.01385	16.3
72.87853	1.1
87.00865	1.6
89.02459	2.4
103.01479	1.1
103.91994	1.5
107.26796	0.9
124.86799	1.0
125.09713	2.2
127.11288	2.4
127.17387	0.9
134.89471	4.2
161.71260	1.0
171.10268	100.0
172.10628	2.4
195.80339	1.1
201.11302	11.2
213.11295	2.0
222.84253	4.4
223.83925	5.3
224.83951	1.9
225.11264	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	261.1344
Annotation	Triethylene glycol diglycidyl ether
Peak:m/z	Relative Intensity
51.12365	0.2
52.53860	0.2
54.27998	0.2
57.03449	3.0
59.01383	2.1
69.03451	0.5
70.47355	0.2
70.47670	0.3
72.00505	0.2
74.02464	0.3
74.83301	0.2
89.02449	0.6
91.04014	0.9
95.05029	0.3
97.06593	10.9
103.01514	0.3
123.07259	0.2
123.08167	5.1
125.09727	100.0
126.10051	2.0
134.89444	0.8
143.10768	1.4
153.74704	0.2
159.67564	0.2
169.08688	2.7
187.09756	79.9
188.10063	1.6
222.84215	0.8
223.83945	1.0
224.83888	0.5
258.59042	0.2
261.13422	35.9
261.81238	0.2
262.13745	1.4
264.02484	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62095	1.2
57.03424	4.1
59.01381	7.5
63.43362	1.6
63.93739	1.1
69.64669	5.5
71.01393	1.5
97.06586	9.4
98.22607	2.6
103.01443	1.6
123.08138	5.6
125.09726	100.0
126.10066	2.2
134.89436	2.0
143.10756	2.0
169.08640	2.6
174.99181	1.3
181.58775	1.3
182.58783	1.5
187.09769	77.3
188.10104	1.9
222.84305	1.7
223.83917	1.7
256.99982	1.9
261.13364	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
60.69896	0.4
66.61643	0.4
70.78788	0.9
72.00909	14.2
76.48985	0.4
91.05525	1.4
96.96936	1.0
101.02394	0.6
103.05556	1.0
146.06146	0.8
147.04524	41.3
148.04878	1.3
164.07169	100.0
165.07524	2.8
186.22369	0.4
194.53131	0.4
246.33788	0.4
262.07306	0.5
273.23883	0.5
279.82532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01709	0.8
61.98826	0.8
62.46052	0.7
63.25441	0.7
69.35049	3.1
73.02962	1.0
80.96521	1.0
93.11278	0.7
98.22739	0.8
101.02443	1.1
113.02450	0.9
156.53403	0.8
167.63997	0.8
191.14546	1.2
263.13205	1.3
263.16620	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29250	4.2
51.08606	4.5
54.55832	4.5
59.01376	12.8
71.01365	7.0
72.78845	5.1
73.23360	4.5
93.03515	4.3
96.95998	11.4
97.02945	13.0
108.05827	7.4
109.02985	6.3
109.06600	5.8
111.04535	13.4
113.06050	7.7
121.06637	6.1
122.03761	18.4
123.08155	11.2
125.06098	21.4
134.89467	9.5
136.05304	18.9
138.06854	20.9
139.07657	37.6
148.05295	7.4
149.06006	5.2
151.07648	77.3
151.08794	8.6
152.04802	6.4
152.08406	32.2
152.99600	9.8
153.09200	14.3
163.07675	14.4
201.12808	40.6
203.10777	22.4
204.11552	66.4
205.11829	5.0
219.13908	100.0
239.80846	4.8
242.94682	5.7
245.11861	7.4
263.09763	8.1
263.12936	31.0
263.16400	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	263.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.3
58.42952	1.1
59.01381	6.4
63.33424	1.3
71.44456	1.7
73.65261	1.3
93.07082	5.1
95.05029	1.4
106.04218	2.3
107.05029	20.5
108.02173	2.5
109.06595	22.0
111.08141	1.4
119.05009	2.6
121.06596	1.7
133.06616	2.1
135.04546	2.5
135.08165	26.9
136.05338	1.7
144.90007	1.5
147.06783	2.3
149.09705	3.7
151.07645	1.5
161.02501	1.8
161.09718	2.0
163.02182	1.6
185.09688	1.9
189.09113	1.8
191.14433	3.0
201.12834	9.8
203.10741	5.7
204.11562	20.9
210.34940	1.3
215.00975	2.4
219.13899	89.9
220.14238	4.9
263.01569	2.4
263.12878	100.0
263.16364	4.3
264.13187	4.0
270.16336	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	263.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28026	0.5
54.32284	0.5
67.44167	0.5
67.45103	0.5
70.79682	1.1
89.95571	0.6
96.96043	0.8
119.04245	0.8
119.05032	12.4
120.05396	0.8
121.02908	0.9
133.02988	2.8
134.03746	6.7
135.04579	3.5
148.04132	1.1
148.05284	6.1
161.02414	2.4
161.06088	3.1
162.03253	3.1
162.05516	0.9
175.02745	2.1
176.03539	5.0
190.05145	6.2
204.06664	7.9
205.11055	2.2
218.08200	1.3
247.10861	55.4
248.11638	78.6
249.12068	2.7
263.13998	100.0
264.14346	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	263.14
Annotation	Feruloylputrescine
Peak:m/z	Relative Intensity
65.59665	0.2
69.07917	1.6
91.48830	0.2
93.03481	0.5
117.03466	0.3
119.05029	100.0
120.04548	0.3
120.05358	2.6
132.05789	0.4
135.04471	0.5
144.04543	0.9
145.06596	0.8
149.02425	0.5
162.05615	1.7
163.02271	0.5
164.07208	0.3
172.07663	0.4
174.05643	0.5
176.92581	0.3
221.12904	0.4
237.42828	0.3
244.11523	0.2
247.10944	0.4
248.11630	0.6
250.11256	0.2
255.12860	0.3
263.13995	44.0
264.14377	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	263.14
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01841	0.6
59.01370	1.7
69.73682	1.0
69.74055	1.1
72.55444	0.5
79.95742	1.4
89.05437	0.6
96.96025	2.1
98.21894	0.6
119.05029	40.7
120.05410	1.4
121.02959	0.7
133.02953	2.1
134.03746	6.5
135.04530	3.7
137.02515	0.7
145.02933	0.6
148.05270	5.7
149.02461	1.8
149.06093	0.8
161.02461	1.5
161.06096	3.5
162.03207	2.6
162.05592	1.5
163.02220	4.5
167.49290	0.6
175.02682	2.6
176.03587	3.9
185.58432	0.6
190.05028	5.1
203.00052	1.0
204.06622	9.3
205.11072	2.2
218.08192	1.4
247.10857	56.5
248.11630	76.4
249.11954	2.3
263.02106	1.2
263.13980	100.0
264.14285	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	263.1401
Annotation	Catuabine I
Peak:m/z	Relative Intensity
59.01374	1.0
76.24907	0.3
78.95904	0.3
86.97474	0.2
93.03458	0.5
96.96975	0.2
112.38240	0.2
116.05023	0.3
117.03463	0.4
119.05032	100.0
120.04578	0.4
120.05367	2.4
132.05823	0.3
144.04536	0.6
145.06586	0.8
147.06779	0.9
152.91760	0.3
160.04050	0.3
161.04747	0.2
162.05592	1.7
164.07195	0.2
172.07664	0.6
174.05562	0.5
203.08231	0.5
221.12842	0.4
248.11497	0.3
263.14011	42.9
264.14310	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	263.1652
Annotation	12-Oxo-2,3-dinor-10,15-phytodienoic acid
Peak:m/z	Relative Intensity
55.28748	0.4
58.19340	0.4
68.73406	0.5
70.03619	1.0
78.69585	0.4
113.54713	0.4
139.24918	0.4
141.97630	0.4
152.49074	0.4
199.21797	0.5
212.83032	0.4
219.17537	13.1
229.22256	0.4
263.16519	100.0
264.16830	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07008	3.0
52.50298	2.6
55.04850	2.6
56.32996	2.5
56.59422	2.4
58.50534	3.2
59.01380	100.0
71.01382	26.8
73.02949	94.4
74.38017	2.6
83.01384	15.2
89.02448	10.2
98.22707	4.7
101.02451	56.8
102.05606	11.6
113.02443	12.8
119.03441	3.9
131.03493	3.4
161.04550	10.5
171.98622	2.8
178.04961	3.0
262.90625	3.9
264.13495	3.0
264.16089	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	264.0877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	2.7
63.99900	0.8
70.02979	17.9
71.01385	5.7
72.00880	1.4
84.60964	0.9
91.05534	7.7
96.99332	5.7
114.01969	100.0
115.02267	1.3
117.03461	6.8
117.07085	1.1
129.01933	4.7
134.06117	25.7
144.08231	1.6
146.04590	6.2
146.06107	2.1
154.67027	1.0
160.07684	2.9
169.78548	0.9
178.49876	0.9
185.48618	1.0
188.07114	5.0
201.10796	0.9
208.05171	0.9
232.06139	15.1
234.40063	1.0
263.88583	1.2
264.16016	2.1
265.12137	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1239
Annotation	Anisomycin
Peak:m/z	Relative Intensity
51.37812	0.4
55.83929	0.4
59.01382	1.2
59.74556	0.4
66.70927	0.4
67.86572	0.4
70.26239	0.4
71.17232	0.5
75.61502	0.4
76.79220	0.4
89.47095	0.4
98.02483	0.5
106.04224	0.8
107.05037	0.7
108.02187	0.4
111.03276	0.5
119.05034	0.6
120.05360	0.4
121.02932	0.7
133.02983	2.9
134.03741	17.6
135.04541	6.6
136.04880	0.5
137.02434	1.1
145.02953	0.6
147.04552	1.9
148.05299	23.1
149.06090	20.5
150.03212	1.1
150.06459	0.7
154.76392	0.4
161.02417	3.6
161.06087	6.9
162.03262	2.8
162.05444	0.7
164.07196	1.1
175.02744	4.6
176.03523	6.3
178.05113	0.5
190.05084	9.3
191.05727	0.7
194.02179	0.6
196.34453	0.4
202.08707	0.5
204.06648	11.0
205.06943	0.8
206.09528	2.2
218.08118	2.3
231.55112	0.4
232.09781	0.6
234.01993	0.4
246.07759	0.6
248.09261	89.1
249.10013	55.0
250.10391	1.7
264.12378	100.0
265.12723	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1193
Annotation	gamma-Glutamyltyramine
Peak:m/z	Relative Intensity
50.22625	3.3
58.02975	48.0
59.01376	13.5
67.03020	7.6
68.01390	4.5
71.23683	3.9
81.02218	11.3
85.04074	31.1
87.05640	8.8
91.99951	3.6
94.02994	4.5
97.04067	9.5
102.05617	14.7
103.05948	6.9
107.05042	13.1
113.07202	17.4
123.08167	7.4
133.06694	4.3
150.09239	100.0
162.09224	4.2
184.00963	5.0
221.12952	86.3
265.12363	17.5
265.14426	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	265.1443
Annotation	Rugosal A
Peak:m/z	Relative Intensity
55.21725	0.2
59.01374	0.6
66.73005	0.2
69.11361	0.5
69.11765	1.2
69.38948	0.2
95.01382	1.0
96.02174	5.0
96.96005	5.4
111.00875	1.1
123.00892	2.9
124.01661	11.2
128.01103	0.4
138.03236	0.4
151.00417	0.4
152.01155	10.4
153.01924	0.5
165.01979	0.9
166.02705	2.5
166.33923	0.2
167.14403	0.6
184.00134	1.2
190.09256	0.3
237.14958	7.8
247.13364	0.6
265.14459	100.0
266.14792	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	Hebelophyllene C
Peak:m/z	Relative Intensity
50.15051	1.0
53.27294	0.9
57.03449	14.7
59.01381	2.7
79.05527	3.6
83.05028	4.0
84.17368	0.9
95.04996	1.8
96.96001	1.6
97.06591	1.8
119.08620	1.5
121.06581	2.5
137.09697	2.4
137.95538	0.9
163.11273	2.3
169.10205	5.1
175.07556	1.1
181.12314	1.8
185.13373	8.2
187.11317	2.1
197.67430	0.9
203.14403	6.6
206.00479	2.4
230.66499	0.9
247.11261	1.4
247.13455	1.1
256.41867	1.0
265.01718	2.8
265.12119	4.5
265.14462	100.0
266.14822	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	265.1445
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
57.03444	3.4
59.01373	3.6
65.03956	11.8
69.03465	3.0
69.52263	7.5
71.01379	6.4
81.03461	26.6
83.05032	26.8
86.56376	1.8
87.80522	1.8
93.03460	23.3
95.05037	21.9
97.06609	2.6
98.21876	3.5
103.41993	1.9
106.04230	3.0
107.73253	2.0
108.02189	4.0
109.02953	7.2
109.06601	4.9
110.03736	12.3
111.04526	63.9
121.02970	3.3
123.04521	4.8
123.08156	2.4
125.09718	3.2
139.11305	6.8
139.81058	1.8
155.10808	3.0
158.63075	1.6
171.10289	8.2
177.12872	7.8
183.10242	2.5
184.00951	3.4
193.16023	8.2
203.14464	2.7
207.10397	1.9
219.13976	9.4
219.84532	2.6
221.11804	20.0
221.15404	2.7
223.13388	17.4
237.14954	63.9
238.15280	3.3
247.13399	20.0
265.12366	6.8
265.14499	100.0
266.14792	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	265.1445
Annotation	Lejeuneapinguisanolide
Peak:m/z	Relative Intensity
50.94262	1.3
54.81826	1.3
57.03456	12.3
59.01377	5.1
62.83671	1.4
70.86822	2.1
79.90870	1.3
80.02670	1.8
81.03467	3.5
83.05038	2.8
95.05032	55.3
97.02940	1.3
97.06599	5.8
98.22528	1.6
109.06584	7.8
121.06667	1.5
123.08196	2.5
125.09715	19.5
141.12788	1.6
142.79677	1.2
149.09743	3.5
163.11333	5.8
174.97816	1.4
179.14391	7.5
185.11852	10.9
203.14433	5.0
207.10258	8.6
221.15482	1.6
223.13394	100.0
224.13785	4.4
236.17595	1.3
245.59782	1.3
247.11113	1.4
247.13414	16.6
265.12350	5.7
265.14499	82.8
266.14902	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	265.1445
Annotation	Rugosal A
Peak:m/z	Relative Intensity
50.20942	5.7
52.04332	5.4
57.03432	27.3
58.83773	5.0
59.01375	14.0
60.83198	6.1
65.03975	8.0
69.21854	28.5
71.09065	5.0
81.03458	29.9
83.05026	32.1
93.03453	28.4
95.05000	14.0
96.95998	8.0
109.02953	12.7
110.03759	7.6
111.04501	68.1
134.19888	5.7
139.11299	11.7
141.93553	6.1
153.45720	6.6
171.10321	11.0
182.41772	5.2
184.00998	8.9
191.07391	6.0
193.15955	28.7
203.14339	5.4
221.11829	25.9
237.14964	96.6
247.13367	22.9
265.12177	29.1
265.14468	100.0
265.17676	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1445
Annotation	5-(1,4-Dihydroxy-2,2-dimethyl-6-methylenecyclohexyl)-3-methyl-2,4-pentadienoic acid
Peak:m/z	Relative Intensity
50.88582	1.4
57.03428	4.1
59.01362	4.3
66.64061	1.4
67.42220	1.6
69.03473	1.6
70.99524	2.2
73.48873	1.4
76.43845	1.5
78.24916	1.8
79.23900	1.4
83.05020	6.1
83.51451	1.6
87.04537	2.6
88.06028	1.4
95.05029	7.4
95.39743	1.5
97.02950	3.4
97.06599	2.7
109.02946	3.4
109.06582	3.4
111.04520	59.9
121.06580	3.5
122.03721	2.4
123.08171	4.7
135.08174	6.1
136.05371	3.1
137.09724	31.0
138.06876	49.1
147.08218	2.0
151.07617	2.2
153.09213	99.3
154.09549	2.3
165.09229	5.9
184.00920	1.6
185.13341	9.2
201.12842	1.8
203.14406	25.3
221.11630	2.0
221.15445	5.2
265.12369	4.6
265.14487	100.0
266.14810	3.5
266.90714	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	265.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
64.88803	0.3
70.73682	0.5
79.95718	2.1
86.21131	0.2
95.95263	0.7
96.96012	100.0
101.53613	0.3
105.92451	0.3
108.59713	0.2
265.14780	79.5
266.15030	2.9
271.85962	0.3
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
53.17214	0.4
70.78301	0.6
76.92245	0.4
79.95729	2.3
80.96537	0.5
94.98705	0.4
95.95243	0.8
96.96012	100.0
150.54933	0.4
151.38223	0.4
247.08342	0.4
265.14767	79.7
266.15033	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	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
68.53190	0.3
79.95727	1.9
80.96507	0.4
95.95240	0.4
96.96013	100.0
98.22626	0.8
99.92553	0.5
124.01655	0.8
152.01187	0.6
153.11461	0.4
167.85873	0.4
172.81169	0.4
201.23009	0.4
232.00975	0.3
237.15054	0.6
265.14758	84.6
266.07056	0.4
266.15097	2.8
289.32480	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1809
Annotation	OPC-6:0
Peak:m/z	Relative Intensity
59.01369	1.0
64.87014	0.5
65.32574	0.4
69.39172	1.0
69.39576	1.3
84.75092	0.5
95.05029	0.4
96.95941	0.6
96.97512	0.4
116.00652	0.5
132.82274	0.5
150.09947	0.5
152.80212	0.5
173.42096	0.5
184.01027	1.3
201.16095	0.5
219.17508	9.1
220.17900	0.5
247.11212	0.6
265.12360	3.6
265.18076	100.0
266.18423	4.3
268.84277	0.5
274.28345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30770	0.2
59.01381	0.5
68.15527	0.2
69.90353	0.6
72.12208	0.3
78.95895	0.4
92.02550	1.2
92.92821	0.3
101.92506	0.3
107.03634	4.9
115.89400	0.2
120.13744	0.2
133.01555	0.3
134.04727	100.0
135.05208	1.2
150.04198	0.4
184.01010	2.0
259.34396	0.3
266.08923	7.8
266.12103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.0895
Annotation	Adenosine
Peak:m/z	Relative Intensity
59.01381	3.8
59.75828	0.6
66.00964	0.9
67.00260	0.6
69.88821	1.8
75.10567	0.7
78.95911	2.8
82.04089	1.2
87.00892	1.0
92.92809	1.7
96.94687	0.8
106.02856	1.0
106.04075	0.9
107.03637	4.6
108.02041	9.3
126.03111	6.8
131.04562	0.7
132.03067	0.7
133.01564	29.4
134.03578	2.3
134.04732	4.0
149.03558	1.3
150.04218	100.0
151.02611	2.9
151.04597	1.8
166.02002	0.7
176.05756	13.1
184.01024	7.0
192.95747	0.8
213.73546	0.7
235.01756	0.7
266.08932	73.3
267.09274	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	267.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76268	0.4
54.46513	0.4
59.01377	2.2
67.34719	0.4
72.99301	1.6
75.00883	4.1
87.00870	0.5
105.01933	100.0
106.02259	0.9
118.35201	0.4
122.86471	0.4
123.31478	0.4
125.59753	0.4
133.02962	6.6
135.04518	4.1
161.02441	36.2
162.02774	0.8
179.03517	2.1
219.22327	0.4
267.04797	2.1
286.10062	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0735
Annotation	Inosine
Peak:m/z	Relative Intensity
59.01379	0.5
61.98825	0.5
65.01428	0.2
65.03724	0.2
70.94847	0.2
72.00897	0.3
73.04073	0.2
78.95900	0.4
84.14575	0.1
87.00872	0.5
92.02545	4.9
96.95996	0.4
96.96970	0.2
108.02038	2.9
126.03127	1.4
128.07173	0.6
130.08754	2.8
131.04677	0.2
131.09090	0.5
134.02466	0.2
134.03795	0.2
134.04744	1.0
135.03137	100.0
136.03548	1.3
147.41368	0.2
149.04674	0.5
160.04755	0.2
166.58191	0.2
177.04176	0.3
200.21307	0.2
229.97400	0.6
230.97601	0.6
231.93726	0.6
231.97206	1.1
266.95511	1.0
267.07339	43.4
267.94885	1.8
268.07620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0875
Annotation	Citrinin hydrate
Peak:m/z	Relative Intensity
57.03449	3.1
59.01382	10.9
62.31574	0.6
69.32169	1.8
69.32572	1.4
71.05017	1.9
71.98977	0.6
74.83188	0.6
81.03457	17.8
85.06589	18.1
92.48457	0.6
93.03454	4.1
97.06589	3.1
97.23742	0.6
107.05033	4.9
109.06592	100.0
110.06921	1.9
121.02944	1.5
125.02479	1.9
137.09729	1.0
149.02452	2.3
161.09726	1.1
177.01924	4.8
179.10780	5.0
192.04300	4.0
207.06654	3.7
223.09750	45.8
224.10027	1.2
237.03944	3.4
252.06412	4.0
267.08740	39.1
267.16098	1.2
268.09131	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	267.0901
Annotation	moclobemide
Peak:m/z	Relative Intensity
56.20359	0.4
59.01370	1.3
61.98834	0.6
66.58503	0.4
69.58144	1.2
93.03454	3.6
104.11449	0.4
110.24023	0.4
118.02982	5.1
119.05054	0.5
126.20737	0.5
131.03828	0.5
137.02417	0.6
144.04524	0.7
145.02942	1.2
146.03807	0.6
147.04530	13.1
148.04941	0.6
157.59615	0.4
158.39998	0.4
160.04074	5.0
172.04099	1.1
173.04819	1.6
174.05614	2.9
185.01207	0.6
193.06569	5.7
194.07245	0.5
194.77864	0.4
195.08192	0.5
211.07645	4.9
220.05223	2.2
221.06076	13.3
222.06804	3.6
223.20445	0.4
224.04756	0.5
238.06512	3.8
239.07256	62.8
240.07631	4.1
243.06604	0.5
252.06668	3.5
265.07379	0.4
266.08228	17.6
267.09000	100.0
268.09317	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	267.1026
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
59.01379	3.0
69.78220	4.5
83.67422	1.1
88.32328	1.3
103.01506	2.0
121.02996	1.9
133.75945	1.2
195.17509	1.4
197.06110	8.0
209.04570	2.1
218.00264	1.2
237.05565	100.0
238.05908	4.8
251.07085	9.5
252.07909	49.2
267.10248	55.9
267.19550	2.7
268.10602	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	267.1085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01703	0.8
61.98832	3.4
65.18777	0.4
69.86710	0.4
70.47756	0.8
71.01382	7.1
73.02951	2.2
83.01405	1.0
85.02941	2.8
87.00909	0.8
89.02452	2.9
95.01403	0.9
99.00903	0.9
101.02451	6.2
105.05591	1.1
113.02440	3.0
119.03542	1.1
121.33859	0.5
125.02456	0.4
130.08746	0.4
159.03067	0.6
161.04561	4.3
183.13190	0.4
207.08708	3.7
267.10886	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	267.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.6
59.01377	0.5
59.51660	0.2
69.76897	0.4
69.77264	0.5
79.92238	0.2
80.02670	0.2
83.05016	0.8
95.05018	0.2
96.95999	0.6
98.21893	0.3
98.95590	2.9
98.96460	0.4
101.82290	0.2
111.08159	5.7
123.08154	0.4
125.06091	0.4
127.11298	1.4
132.20804	0.2
137.09731	2.7
138.39981	0.3
139.11285	0.4
141.12863	2.6
144.60196	0.2
153.12840	0.7
155.14471	0.3
171.10350	0.2
217.89513	0.2
223.20674	2.9
237.54622	0.2
249.18637	1.6
267.19638	100.0
268.20004	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	267.1964
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
59.01395	0.4
60.88319	0.3
65.93320	0.3
69.25055	1.8
79.28706	0.3
95.10420	0.4
96.76028	0.3
96.95992	0.5
97.06564	0.4
98.95594	3.6
98.96175	0.4
98.96464	0.5
103.01508	0.4
109.49317	0.4
110.00893	0.4
115.98875	0.4
123.08120	1.7
125.09734	2.8
141.12848	0.7
145.68619	0.4
185.01196	0.8
211.21249	0.3
223.20720	1.1
249.18546	0.5
267.14728	3.2
267.19638	100.0
268.19995	5.1
275.80811	0.4
276.40720	0.4
277.74292	0.3
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
55.02484	1.5
59.01391	9.4
61.98823	1.5
66.20564	1.5
69.03442	5.5
71.05023	13.6
80.02684	1.9
88.90589	1.9
89.26122	1.7
96.95979	2.0
98.95600	4.5
101.33897	1.7
103.01481	5.5
103.28619	1.8
120.49097	1.9
121.02966	3.5
169.25781	1.4
195.17508	8.7
209.04633	2.2
221.19031	3.4
223.20667	100.0
224.21024	5.0
229.05563	1.6
267.19635	75.7
268.19995	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	267.1967
Annotation	Methoprene acid
Peak:m/z	Relative Intensity
57.03436	2.1
59.01381	50.6
61.98826	1.3
62.59190	0.7
66.11561	0.7
69.03452	1.0
69.73197	2.5
71.01386	15.8
85.06578	2.2
95.05024	0.8
96.95998	0.8
98.22573	1.0
98.95576	1.7
103.01491	2.1
121.02937	1.0
150.31493	0.7
167.31189	0.6
185.01263	1.1
195.17537	16.2
207.17555	2.7
209.04622	0.7
213.46558	0.6
223.20660	6.1
249.18512	0.9
267.19644	100.0
268.19992	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	267.1966
Annotation	15-Methoxyisodauc-3-ene-1beta,5alpha-diol
Peak:m/z	Relative Intensity
51.08747	0.5
57.03453	4.0
59.01382	2.7
59.71340	0.5
60.91009	0.5
61.98822	1.1
69.03465	0.7
69.49144	2.0
71.05010	0.9
79.41296	0.5
81.03453	5.1
83.05026	27.0
85.06580	0.8
92.92783	0.9
96.96004	0.6
97.85233	0.5
99.08157	19.9
103.01476	0.9
111.04539	2.3
121.02966	1.1
125.06086	0.5
129.05579	20.1
165.12856	2.0
170.22453	0.5
183.13882	1.6
223.20641	2.0
249.18608	23.4
250.18980	1.2
267.19653	100.0
268.20041	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	268.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02049	36.2
70.42941	100.0
90.75654	35.3
132.98083	37.1
133.78093	44.5
171.10698	43.9
247.30780	38.8
278.16074	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.9471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82413	0.8
58.54116	1.0
59.01370	6.5
59.02499	1.0
70.71951	1.7
71.01368	8.3
71.38186	0.9
72.99306	67.8
74.63097	0.8
78.95912	7.6
83.02393	1.0
85.02949	1.7
87.00867	1.0
88.98801	6.6
89.02447	10.8
92.92809	1.8
94.92518	8.3
96.96964	8.0
98.69234	1.0
98.98550	1.0
101.02439	1.2
110.89934	2.2
111.00887	24.9
112.95869	0.8
112.98553	1.4
114.99652	1.5
115.00387	15.9
117.00409	1.9
126.90504	1.0
128.95979	2.4
131.04611	1.3
133.01443	33.2
136.98849	1.0
140.59296	0.9
142.98804	1.2
149.00977	1.1
150.98958	2.0
151.00133	27.8
152.95958	57.3
170.90250	3.5
170.96991	100.0
176.98045	2.8
194.99127	12.6
205.99654	1.0
224.93349	5.7
225.02588	1.0
268.94724	6.7
269.21417	1.8
269.24789	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	269.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82382	0.4
58.72066	0.4
59.01380	7.9
61.60399	0.4
62.81743	0.4
69.85466	1.6
71.01389	6.7
72.99313	5.9
84.75577	0.4
85.02969	0.7
87.00874	0.8
89.02445	100.0
90.02795	1.3
94.92516	1.1
96.96959	0.7
98.21927	0.8
101.02445	1.2
111.00894	4.0
113.02455	1.6
115.00333	0.5
119.03509	1.1
133.01450	1.1
137.02304	0.4
143.03481	0.9
149.04521	0.6
151.00107	4.5
152.95981	6.0
161.04578	0.9
170.97020	8.3
179.05603	2.8
194.99072	1.5
224.93327	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1295
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
57.67416	1.3
59.01379	1.7
73.46429	1.3
86.20306	1.3
89.94345	1.4
93.92418	1.2
94.02966	1.6
114.45476	1.6
120.68621	1.3
152.01208	7.5
173.95329	1.3
186.95616	5.1
200.03830	1.3
207.17833	1.5
211.08826	2.1
225.10257	3.5
226.12326	1.7
239.08292	3.5
241.13499	3.7
253.09909	2.0
254.10640	7.1
269.08682	11.3
269.12952	100.0
269.17618	3.5
269.21237	6.1
270.13251	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	269.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.5
69.26763	2.2
71.77890	0.4
73.36625	0.4
76.80357	0.4
101.52927	0.5
116.07159	2.4
152.01118	1.1
169.12337	7.6
171.10297	1.0
186.95660	0.5
192.24092	0.4
196.98059	0.4
216.62622	0.4
220.78545	0.4
233.19035	0.8
251.20166	17.1
252.20570	0.8
267.19711	1.2
269.08310	1.1
269.21213	100.0
270.21506	5.2
274.67340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.6
69.62027	3.8
88.11646	1.3
88.27502	1.2
92.60122	1.1
94.89574	1.2
113.09692	1.1
125.57855	1.0
128.86201	1.1
132.98195	1.6
134.75208	1.0
152.01155	4.4
157.08698	6.7
185.11861	1.8
186.95587	3.2
191.03793	1.2
194.92752	1.4
235.05614	1.3
251.20157	14.6
265.65588	1.1
267.19678	1.2
269.08325	6.8
269.21228	100.0
270.21552	4.7
292.47742	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20476	0.8
58.24028	0.9
59.01369	1.2
67.10979	0.9
69.29556	1.4
69.29945	2.9
88.45876	0.8
89.02491	0.9
92.92773	1.2
94.92506	1.9
98.22608	2.0
113.09719	2.6
121.02959	1.2
152.01132	3.3
153.01950	1.0
157.08698	11.5
186.95593	3.3
248.68245	0.8
251.20158	12.3
269.08240	5.2
269.21219	100.0
270.21536	4.1
287.18555	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2121
Annotation	2-keto palmitic acid
Peak:m/z	Relative Intensity
68.59058	0.4
69.39065	2.2
69.61291	0.4
72.99319	0.5
80.37469	0.5
83.19147	0.5
145.41301	0.5
156.53415	0.5
193.88937	0.5
221.19135	1.1
223.20673	32.1
224.21034	1.6
251.20152	1.2
269.21219	100.0
270.21613	4.8
294.75723	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
52.65375	0.4
57.43654	0.4
59.01366	1.5
69.51882	1.7
74.41334	0.4
80.22672	0.4
85.01838	0.4
89.81141	0.4
97.87368	0.4
98.22604	0.8
108.09229	0.4
125.09737	1.2
126.60442	0.4
127.11272	1.6
127.98001	0.4
148.43925	0.4
152.01169	1.7
155.10814	2.6
171.10262	8.3
172.10539	0.4
186.95642	1.7
223.20659	0.5
231.29121	0.5
231.88820	0.4
233.19016	0.6
251.20180	13.3
252.20593	0.6
269.08258	2.1
269.21216	100.0
270.21536	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	269.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84877	0.6
59.01376	0.9
61.98806	0.5
69.55818	1.7
77.03265	0.5
81.54363	0.5
90.13280	0.5
90.97107	0.5
92.57359	0.6
92.92804	0.9
97.06592	4.3
99.08156	1.8
125.06096	3.7
143.07143	49.9
144.07513	1.1
152.01109	2.4
152.91750	1.1
153.37534	0.5
176.93201	0.6
186.95636	1.9
251.20140	3.6
267.71719	0.6
269.08310	2.4
269.21225	100.0
270.21484	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	269.2122
Annotation	16-Oxo-palmitate
Peak:m/z	Relative Intensity
58.29758	1.3
59.01378	4.9
69.17823	7.7
71.70348	1.4
77.53772	1.3
78.67750	1.4
79.44759	1.5
80.88594	1.5
82.44232	1.5
90.97160	1.6
91.05502	1.4
92.92793	2.3
94.33521	1.5
94.92552	2.0
126.90504	1.6
152.01138	6.4
186.85658	1.7
186.95657	7.4
225.22227	3.6
269.08163	12.3
269.21222	100.0
270.21591	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	270.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77408	0.8
50.88703	0.8
55.98037	0.8
59.01369	2.4
62.86798	0.7
70.51086	0.8
74.02477	1.3
74.42976	0.8
84.04534	2.2
85.02941	0.8
93.04731	0.9
101.02433	0.9
102.05614	100.0
103.05963	1.2
108.02168	3.2
123.08147	1.0
125.87325	1.6
128.03548	82.4
141.09225	19.5
142.09593	0.8
146.04604	40.9
147.05022	0.8
151.96497	0.7
190.24908	0.9
211.63852	0.8
226.14499	10.0
252.12404	9.7
268.35300	0.7
270.13486	79.8
271.13794	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	270.9773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71737	0.7
59.01389	4.0
67.01864	1.2
69.95255	2.3
70.77862	0.7
71.01373	1.6
73.30090	0.6
77.60830	0.6
78.95905	1.0
85.02944	0.9
90.97090	0.8
93.57206	0.7
96.96965	0.9
99.00861	1.6
108.02181	2.7
111.00875	21.9
112.98750	0.8
130.08736	17.7
132.98206	16.1
166.96597	3.3
174.99242	7.1
175.02534	1.1
184.97667	12.5
194.80685	0.7
198.99217	2.8
199.96385	0.8
201.00821	12.8
208.97655	7.7
226.98734	100.0
227.99036	2.6
230.08838	1.7
231.41341	0.9
252.96635	3.9
270.97736	11.4
271.05865	1.1
271.08521	1.1
271.14386	1.6
272.09961	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	271.0612
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
59.01368	0.5
63.02403	9.7
65.00325	17.5
70.02631	1.5
83.01389	11.8
93.03465	14.1
98.21938	0.6
107.01398	26.5
108.02195	7.6
109.02966	1.7
119.05034	76.6
120.05371	1.5
120.37392	0.6
121.02947	0.7
125.02475	1.1
133.03027	0.5
141.90007	0.7
143.04979	0.9
145.02972	1.6
150.02451	0.5
151.00374	75.2
152.00731	1.6
161.06065	1.5
165.01988	3.3
169.01448	2.8
177.01927	9.9
185.06099	0.9
187.04037	2.5
209.75427	0.6
227.07101	1.5
227.25494	0.6
253.05101	0.7
270.17834	0.7
271.06122	100.0
271.20892	0.9
272.06467	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05542	0.2
57.03452	0.3
59.01375	3.0
61.98814	0.2
63.04555	0.2
69.65453	0.6
70.57601	0.2
71.01380	8.4
73.02949	3.2
75.00871	0.3
78.95901	0.6
83.01379	0.8
85.02956	3.5
87.00863	0.7
89.02447	0.8
95.01396	1.3
96.96960	0.7
97.02955	0.2
98.21882	0.3
98.38139	0.2
99.00874	1.3
101.02444	5.0
107.05044	0.4
107.23598	0.2
108.02174	100.0
109.02985	14.5
110.03315	0.4
111.00872	1.4
113.02454	4.2
115.00377	0.2
117.00477	0.4
121.02943	1.4
122.03738	0.2
123.00869	0.5
123.04536	2.0
125.02422	0.4
128.97957	0.2
129.01952	0.3
130.08740	13.3
131.08276	1.2
132.98244	1.1
133.02959	1.5
134.03754	0.7
135.04518	2.2
136.04910	0.2
142.99933	0.2
143.03517	0.4
151.03996	4.4
159.03012	1.3
161.02531	1.1
161.04547	6.4
161.05856	0.4
163.03978	1.8
173.00905	0.4
173.10332	0.7
175.02475	1.2
177.02074	0.5
179.03502	0.8
184.97699	0.9
201.00397	1.3
208.97459	0.5
226.98741	5.3
228.07399	0.3
230.08783	0.8
248.00674	0.5
270.97751	0.4
271.08221	1.1
272.09943	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	271.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60985	0.9
51.18283	0.9
56.39653	0.9
59.01387	1.4
69.03422	1.6
69.71500	1.0
71.05000	3.2
75.49744	0.9
81.03455	27.6
84.02151	3.6
97.02952	1.3
99.04520	31.9
100.19645	1.1
106.97759	1.0
108.02173	20.8
109.02927	2.4
125.09728	2.0
127.11252	1.8
171.10266	100.0
172.10591	2.7
201.11255	6.9
213.11328	3.5
252.18944	1.1
253.14369	4.9
254.14708	1.2
256.17062	1.2
271.15524	14.0
271.22864	1.2
286.00424	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.228
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
51.84518	0.9
59.01381	1.6
69.46783	0.8
69.60638	0.9
70.64992	1.4
80.66463	0.9
85.00460	0.9
108.02178	5.9
122.85836	0.9
138.82799	1.0
140.37628	0.9
153.10403	1.0
223.20590	3.1
225.22241	59.6
226.22589	1.9
253.21663	1.4
271.22784	100.0
272.23080	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	272.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	12.2
70.52163	0.9
71.01373	0.9
72.00914	0.4
72.99305	0.4
75.00832	0.4
78.95898	0.9
87.00848	0.4
93.06570	0.4
99.00875	0.6
100.98810	1.8
103.01480	0.9
104.03554	0.4
108.02145	0.6
115.00358	0.5
117.00474	1.8
126.98918	0.9
127.97504	0.6
128.07175	1.6
130.08739	100.0
131.09071	1.4
134.04784	0.4
142.99863	1.7
168.99933	2.3
172.01064	1.0
174.11308	0.5
175.02528	2.8
210.06093	0.5
213.03703	0.4
227.99094	1.6
228.07292	2.5
230.08824	6.9
272.09900	52.8
273.10098	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	272.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20224	1.5
59.01366	4.3
61.98818	5.4
72.31063	1.6
74.02496	1.7
84.04562	3.0
94.68130	1.4
99.92582	39.0
100.92604	3.4
102.05613	100.0
108.02104	1.9
115.92132	2.7
116.92130	2.9
116.92877	7.4
117.92913	8.0
128.03549	93.8
129.03920	2.6
130.01721	1.8
142.12410	6.7
143.10785	37.8
146.04596	28.4
171.10388	2.0
172.10634	3.1
184.17091	9.5
200.42789	1.6
228.16032	15.5
254.11548	2.5
254.13930	11.9
272.03152	7.7
272.15045	96.8
273.15280	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	273.002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89193	10.4
55.01873	60.8
58.35198	8.8
59.01367	78.4
69.89126	30.4
71.01378	17.1
73.02951	21.6
73.30444	8.3
74.20052	8.7
75.00872	100.0
78.95898	30.3
82.88944	10.7
88.04055	9.3
90.81010	9.5
99.00880	38.0
101.02451	10.3
115.00376	90.1
116.92867	13.8
117.01959	24.8
129.01936	26.3
142.99846	28.4
159.60110	10.3
160.96432	16.0
168.99945	23.8
180.12634	10.2
213.03613	12.9
214.95177	9.6
219.01433	25.9
250.22475	10.2
254.99023	11.6
273.03723	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	273.0383
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38549	4.1
57.92537	3.5
60.36627	3.7
60.85548	3.5
63.37152	3.3
70.77566	5.9
72.99316	8.2
78.95900	77.8
82.47005	3.7
87.00874	8.8
92.92803	6.2
94.92487	5.8
96.92169	6.2
96.96983	8.2
98.00711	10.3
110.98531	46.2
111.00867	5.0
112.89619	5.0
125.00892	5.5
126.98867	15.2
130.88892	10.8
132.04242	4.2
136.91772	5.0
148.94933	11.8
151.00117	10.4
154.91609	9.1
168.99948	43.9
172.00981	5.4
172.99455	4.6
187.33430	4.2
190.95996	13.0
191.01962	5.0
198.90605	5.1
215.00572	4.2
241.01201	13.9
246.07854	4.4
272.83752	4.9
273.03821	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	273.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.6
59.01365	3.3
63.51524	0.8
64.85968	1.1
69.28917	5.4
71.01386	4.8
72.99300	1.3
73.02933	2.3
74.00697	0.9
78.95901	83.9
80.91681	33.7
82.45016	1.0
83.01391	1.7
84.93855	1.3
85.02953	2.6
87.00884	3.7
88.98777	2.3
96.96970	4.9
99.00879	9.4
99.92580	8.7
100.93369	7.1
110.98533	63.9
111.00880	3.8
112.98811	6.1
115.00352	1.2
115.92077	10.8
116.92860	47.4
117.00466	1.0
117.01930	1.7
117.92857	2.2
125.00984	1.3
125.96365	1.0
126.98907	3.6
129.01968	2.0
140.98286	1.1
145.01451	1.2
148.98604	1.3
168.99953	8.3
173.00919	1.2
185.50250	1.0
191.01956	1.2
196.91849	1.0
199.01031	1.8
200.94933	2.8
205.03453	1.7
210.93246	1.0
241.01199	19.6
254.92328	1.1
272.93695	3.5
273.03815	100.0
274.04086	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	273.0769
Annotation	Phloretin
Peak:m/z	Relative Intensity
57.03440	2.1
59.01379	0.7
63.02382	0.5
65.00323	2.4
67.01908	0.4
70.49863	1.0
81.03455	34.2
82.03781	0.9
83.01381	8.9
93.03456	6.9
95.05041	1.2
99.04460	0.5
107.01380	2.4
119.05027	32.0
120.05353	0.9
123.04527	45.7
124.04855	1.0
125.02452	14.8
135.04544	0.9
145.03014	0.5
145.06664	0.5
147.04515	0.5
149.02415	1.1
151.00359	5.4
161.05994	0.7
164.85541	0.4
166.02748	0.5
167.03496	100.0
168.03815	3.0
172.05342	0.5
179.03505	5.7
187.07652	1.4
189.05576	4.7
229.08708	2.2
255.06671	0.7
273.07681	82.8
274.07959	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	273.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52861	0.2
56.04024	0.2
57.03437	0.3
63.96233	0.7
69.23512	1.1
69.23817	0.2
71.05017	1.4
79.95737	32.6
80.96520	15.2
81.03459	0.3
83.05037	0.2
87.96244	0.3
93.03461	0.2
95.05038	0.5
95.59493	0.2
97.07580	0.2
106.20747	0.2
117.58518	0.2
119.30868	0.2
137.06055	0.4
138.68407	0.2
148.00983	0.2
162.85277	0.2
172.99141	10.3
176.26912	0.2
187.00665	0.6
188.01494	7.6
188.03181	0.4
209.11955	0.2
215.25006	0.2
255.11433	0.4
258.05676	1.5
273.08029	100.0
274.08340	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1345
Annotation	oscr#7
Peak:m/z	Relative Intensity
56.00906	0.8
57.03434	1.4
59.01370	3.9
60.45269	0.9
68.15462	0.8
69.38419	1.5
69.38792	1.4
71.01376	3.6
71.92037	0.8
73.02945	2.9
81.03466	1.0
83.01383	2.4
85.02945	1.9
95.04960	0.9
95.79089	0.8
101.02410	1.4
108.02129	1.0
110.52060	0.8
115.20287	0.9
123.15889	0.9
125.09741	4.0
127.11296	1.3
141.09229	0.9
143.10786	1.6
155.10773	1.0
158.14085	0.8
161.81941	0.9
167.14479	1.6
169.12328	2.1
169.97153	0.9
171.10274	17.0
181.08727	1.6
183.13867	0.9
193.12347	4.1
197.11809	1.1
199.09758	14.6
201.11375	6.2
209.11862	3.3
211.13385	23.9
212.13766	1.0
213.11504	1.5
219.10168	4.3
227.12758	3.3
229.14445	12.8
237.11311	14.2
241.10793	2.2
255.12387	28.1
273.13437	100.0
274.13852	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	273.2223
Annotation	2-Fluoropalmitic Acid
Peak:m/z	Relative Intensity
58.62100	0.2
90.45131	0.2
114.51738	0.2
136.23302	0.2
189.12836	0.8
203.14406	1.5
257.19116	2.0
273.22229	100.0
274.22571	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	275.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86804	0.3
59.01376	0.5
61.09666	0.2
63.63267	0.2
63.96230	0.5
69.56828	0.4
69.57220	0.7
71.05047	0.5
79.95734	23.8
80.96516	10.2
85.02950	0.3
87.02094	0.2
95.05042	0.4
110.60457	0.3
111.04540	0.6
116.92865	0.5
125.27883	0.2
133.26082	0.3
135.51891	0.3
159.33994	0.2
172.99144	7.9
187.00711	0.4
188.01495	7.1
192.95840	0.5
212.74336	0.2
257.08438	0.9
260.07275	1.6
275.09586	100.0
276.09912	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	275.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41640	0.6
59.01382	1.6
65.38544	0.7
67.03023	3.3
69.03437	0.6
69.66413	2.5
70.02986	1.0
72.99323	1.0
79.21899	0.6
79.57638	0.6
79.95737	0.6
82.02969	4.1
91.05547	3.1
94.02944	0.6
96.95992	0.7
98.02509	0.6
98.22612	0.8
107.02514	1.7
109.04080	25.9
112.04051	4.0
116.92850	2.0
118.06557	0.9
127.05140	100.0
128.05505	1.1
130.44075	0.7
139.05145	1.2
140.07117	1.6
144.17279	0.6
147.04514	5.5
164.07173	3.3
186.09247	1.0
192.95859	2.6
213.11330	1.3
214.08693	1.2
231.11264	3.6
257.09393	2.1
275.10382	68.0
275.13443	2.2
276.10794	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	275.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70201	0.6
59.01379	26.4
60.01709	0.7
69.36771	2.4
72.99294	1.3
82.34245	0.7
84.99318	1.6
87.00873	21.4
87.01385	1.4
97.33674	0.6
98.22661	1.1
103.00377	15.7
112.98809	25.4
116.92860	1.4
123.88629	0.6
130.99892	4.0
132.02966	0.8
143.10785	100.0
144.11140	2.5
149.00937	4.4
150.94748	0.7
192.95880	1.5
257.14005	0.8
260.30054	0.6
275.11334	13.2
275.18829	0.7
276.11609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.0
66.96062	0.5
69.31847	2.9
71.01361	0.8
83.05047	0.7
105.23137	0.5
111.47925	0.7
116.92870	1.0
150.94754	0.7
177.16475	1.7
192.95839	4.7
192.97392	0.8
202.13087	0.6
231.17538	8.2
231.21075	6.6
275.16623	11.2
275.20126	100.0
276.20465	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	275.2016
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
59.01126	0.4
59.01380	4.8
69.68816	1.4
71.01382	1.2
80.91682	3.5
83.05019	0.5
93.86219	0.4
100.71727	0.4
127.07687	0.4
138.48489	0.4
173.40414	0.4
177.16490	2.2
192.95969	0.6
231.21173	9.0
257.19073	0.8
274.87180	0.6
275.20139	100.0
275.86676	3.1
276.20493	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	275.2016
Annotation	9,12-Octadecadiynoic Acid
Peak:m/z	Relative Intensity
59.01373	13.4
71.56778	3.9
79.55845	3.3
98.22623	7.8
98.64851	3.8
116.92855	13.8
121.04395	3.5
141.08727	4.0
192.95811	16.7
231.21164	9.8
275.20151	100.0
276.20413	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	276.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00266	26.0
58.09004	27.3
59.68483	24.6
61.45541	28.3
69.34450	75.3
69.34859	100.0
77.33495	26.0
84.16869	27.8
88.00903	31.0
98.22625	61.6
138.00975	26.4
152.91817	33.6
171.70844	24.4
194.92847	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9182
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07545	0.3
68.82822	0.3
69.27641	1.7
71.92228	0.4
72.99337	1.0
78.95908	3.7
79.95760	0.9
96.96012	24.6
96.97004	0.8
98.22636	0.6
120.54390	0.3
134.96094	1.2
134.97060	9.6
136.94011	100.0
137.94089	4.3
142.93077	0.3
157.57332	0.3
176.98094	2.7
178.95055	4.6
196.90877	0.5
216.89632	90.7
217.89709	4.1
232.99629	0.8
234.90721	22.3
234.97005	0.5
235.90727	1.2
258.87375	0.5
258.91745	0.9
276.88321	1.1
276.91632	2.5
276.98425	8.5
277.98511	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85007	0.3
51.43212	0.3
55.82923	0.3
59.01379	0.6
69.18124	1.8
71.01383	0.9
72.99322	0.3
78.13359	0.3
78.95905	36.8
84.53930	0.3
88.04073	0.3
89.02454	0.5
96.96963	100.0
111.00888	0.6
115.00346	0.5
126.58298	0.3
138.83887	0.3
151.00122	0.8
167.47960	0.4
277.03445	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40090	0.2
59.01368	1.2
70.49872	0.3
71.01375	1.3
71.07598	0.3
71.43260	0.3
78.95905	35.1
89.02427	0.7
89.86224	0.3
96.96961	100.0
107.25726	0.3
110.89915	1.1
115.21799	0.3
115.41379	0.3
125.12196	0.3
128.01015	0.3
132.41248	0.3
151.00111	0.4
215.90576	0.3
252.81555	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04280	0.6
59.01363	1.4
62.90635	0.6
63.75626	0.6
63.97549	0.5
65.00301	2.2
68.99805	2.0
69.27854	3.0
72.99302	11.9
78.19641	0.5
81.00060	0.7
83.77490	0.6
84.93832	0.5
84.99261	0.7
87.00863	3.3
93.03464	1.0
111.00853	0.9
112.98781	1.3
117.03474	5.4
119.05027	25.5
121.02966	4.1
123.04504	1.1
127.00365	0.7
129.03461	5.3
131.05009	2.1
133.02942	1.5
134.03671	0.6
135.04443	0.6
143.05014	7.8
145.02953	35.3
146.03325	0.9
147.04523	43.4
148.04865	1.9
159.04604	1.2
160.05367	0.6
161.06046	6.1
163.04031	1.9
170.06044	0.6
171.04478	2.0
175.04007	36.9
176.04428	0.7
189.05545	1.1
203.03493	100.0
204.03836	4.0
205.05019	1.1
215.03485	19.7
216.03830	1.4
233.04543	4.2
243.86336	0.6
259.02460	6.1
262.13095	1.4
277.03528	64.8
277.15424	1.3
278.03839	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	277.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
59.01672	1.1
60.48948	1.1
61.82593	1.2
62.56134	1.2
62.96901	1.2
63.70874	1.1
65.00299	2.6
68.99803	1.3
69.11987	6.6
72.99312	12.7
82.95874	1.1
85.50298	1.2
87.00881	4.9
93.03435	1.9
94.17812	1.2
96.96965	1.1
98.12566	1.2
117.03461	5.7
119.04234	2.2
119.05031	29.5
120.05365	1.1
120.99671	2.1
121.02950	5.6
129.03439	6.1
133.02928	3.1
134.03711	3.9
135.04454	2.7
139.76492	1.3
143.05026	8.5
145.02945	35.0
146.03236	1.9
146.08206	1.7
147.04521	46.0
148.05232	1.4
149.06071	4.7
152.91795	2.2
161.06099	9.5
163.04002	2.7
171.04506	2.7
175.02524	1.9
175.04005	31.6
189.05606	1.4
189.09412	1.9
194.92776	2.9
203.03499	100.0
204.03819	3.7
204.06598	3.3
215.03488	20.2
229.47769	1.5
233.04582	3.6
259.02365	7.4
261.12463	7.7
262.10806	10.4
262.13266	12.5
263.11575	7.9
277.03540	67.1
277.06277	3.2
277.15616	15.3
277.21805	5.1
278.03931	4.0
278.14008	11.8
287.27136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1227
Annotation	Pantetheine
Peak:m/z	Relative Intensity
50.48373	0.8
52.94420	0.9
58.02969	4.2
59.01375	1.6
69.25506	4.6
70.02979	12.3
71.05020	25.8
72.81927	0.9
78.95900	1.5
87.05638	6.9
99.04518	6.6
103.38098	1.0
115.05151	1.1
116.07177	2.0
119.05017	4.2
120.99658	1.3
129.05544	1.5
130.03328	12.1
130.08757	1.5
133.02959	1.5
134.03722	2.9
134.89500	1.9
135.04527	1.0
146.08240	100.0
147.06007	6.2
147.08557	2.0
152.91762	3.2
161.06030	1.7
170.25810	0.8
173.15979	0.9
176.03563	1.1
177.04005	0.9
190.05128	1.5
194.92670	4.7
194.95508	2.1
204.06543	1.9
217.11940	25.7
228.43794	0.9
241.79356	1.6
246.11205	1.4
261.12436	9.2
262.13202	19.7
277.12231	53.6
277.15524	23.7
277.18546	1.7
277.21637	2.6
278.12631	2.3
278.15695	0.9
278.46030	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1447
Annotation	Acrostalidic acid
Peak:m/z	Relative Intensity
59.01370	5.6
69.76643	5.9
69.77031	6.1
78.15964	2.9
81.03480	3.7
95.05038	6.4
98.22729	2.7
107.05014	4.5
109.06592	7.1
134.89488	6.7
152.91722	13.0
156.57689	2.8
173.09706	4.0
176.93102	5.4
177.12794	5.6
189.12819	5.8
194.92752	17.2
194.95488	4.2
196.67209	2.9
203.14380	5.2
205.15952	10.1
215.14401	35.3
216.14580	2.9
233.15471	95.6
241.79369	8.5
242.00655	18.0
247.02820	2.9
259.13287	3.2
276.93066	3.5
277.11316	5.3
277.14429	100.0
277.21539	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	277.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13314	0.7
57.23385	0.6
59.01381	10.0
69.35432	1.8
69.35821	1.7
78.95903	1.1
83.33273	0.7
96.96985	1.0
101.02455	0.9
119.05046	1.5
120.99654	1.0
121.02969	1.8
133.02930	3.9
134.03737	7.9
134.89485	2.2
135.04539	5.0
138.05608	2.8
146.08276	0.8
147.04543	1.2
148.05292	6.0
149.06027	1.0
152.91750	2.6
161.02481	2.4
161.06105	4.2
162.03232	2.1
162.05624	1.2
175.02751	3.3
176.03543	5.6
178.05125	1.2
182.36189	0.7
190.05077	7.6
190.09920	1.2
194.92740	4.4
194.95697	1.1
204.06636	9.6
204.08290	1.2
207.49243	0.7
209.04424	1.0
218.08243	1.2
219.12660	1.2
232.09819	1.6
235.11961	0.7
241.79346	1.9
246.11337	3.4
261.12439	43.7
262.13217	91.7
263.13562	4.0
277.15576	100.0
278.15945	4.7
278.18607	0.8
283.85925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79935	1.0
70.97411	0.6
91.62701	0.5
120.95147	0.6
121.02977	0.7
133.02940	3.4
134.03748	8.2
135.04573	3.3
147.04501	1.2
148.05275	5.9
149.06071	1.3
161.02441	2.0
161.06091	4.7
162.03299	2.8
162.05611	1.0
174.05635	0.6
175.02719	2.9
176.03522	5.2
190.05115	7.2
190.10060	1.0
195.12027	0.7
204.06639	9.4
218.08162	1.4
219.12573	1.6
232.09781	1.6
246.11360	3.4
261.12436	39.8
262.13208	90.4
263.13519	4.0
273.78409	0.6
275.21835	0.5
277.15564	100.0
278.15894	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	277.1558
Annotation	(-)-Mamanine N-oxide
Peak:m/z	Relative Intensity
54.47615	0.6
58.88524	0.7
63.05046	0.7
68.79740	0.6
71.05865	1.0
78.95932	0.8
109.02962	1.6
119.05103	0.9
121.03019	1.2
121.97357	0.6
133.01944	0.8
133.02965	5.7
134.03741	8.6
135.04514	4.4
137.02480	0.7
147.04564	1.1
148.05315	6.7
152.91824	0.7
161.02495	1.9
161.06097	3.9
162.03290	2.4
162.05620	0.8
173.04742	0.6
175.02705	4.1
176.03528	5.7
178.05057	1.4
180.22211	0.7
190.05104	7.1
190.10092	1.0
194.92625	1.3
204.06689	12.7
217.11966	0.8
218.08203	1.0
232.09653	1.7
246.11433	3.3
261.08298	0.9
261.12451	48.4
262.13220	100.0
263.13580	4.0
277.15570	98.0
278.13184	1.0
278.15863	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1557
Annotation	(-)-Mamanine N-oxide
Peak:m/z	Relative Intensity
51.18771	1.0
59.01371	2.5
63.95004	1.1
71.42281	1.0
72.00912	2.6
78.34761	1.1
85.17174	1.2
91.05540	11.7
112.07687	4.7
119.05031	1.7
121.02977	2.2
129.10344	61.5
130.08743	9.0
134.89453	3.8
135.04546	2.3
136.01666	3.8
141.10342	2.8
145.02954	3.7
145.08730	1.6
146.08311	1.4
147.04532	16.8
151.04021	1.8
152.91780	4.3
157.83253	1.2
164.07184	13.9
175.04030	1.6
182.52289	1.2
194.92758	5.4
194.95560	1.5
203.03491	7.2
209.81879	1.0
233.04582	1.2
233.16566	3.0
241.79333	3.0
261.88928	3.6
266.88278	1.1
277.03525	4.4
277.07208	2.4
277.15570	100.0
277.21793	4.0
278.15820	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	277.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	10.1
57.03444	5.0
59.01377	80.8
67.92802	1.5
69.03449	2.7
71.01382	75.3
72.99329	2.3
73.02948	43.0
74.87546	1.5
75.00880	1.7
82.94878	1.4
83.01385	24.9
85.02950	49.8
87.00868	4.8
89.02450	8.8
91.30178	1.3
95.01408	3.6
97.02932	3.0
99.00876	15.3
101.02443	100.0
102.02821	1.6
111.00895	2.5
113.02448	40.4
113.09742	2.1
119.03571	1.6
119.05063	3.8
121.03050	1.9
125.02438	2.4
129.01920	3.6
143.03510	4.9
145.02917	2.7
147.04556	4.2
152.91719	3.8
159.02994	8.8
161.04562	30.1
175.04099	3.4
178.55748	1.6
185.12009	1.9
194.92790	7.0
203.03487	8.9
233.15538	3.6
259.16852	1.7
277.03564	5.1
277.10898	1.4
277.11758	1.6
277.16614	41.0
277.21564	1.6
278.17047	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	277.1662
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01144	0.4
59.01417	1.6
60.97531	0.4
61.98853	0.6
65.91197	0.4
69.39114	1.9
70.15732	0.4
103.02261	1.0
121.03291	3.6
134.89523	0.7
146.99419	0.9
147.08472	3.7
149.01047	0.6
152.91835	0.5
165.00452	11.9
183.01649	0.7
189.04048	0.6
191.05658	11.6
191.07315	0.8
192.05850	0.6
194.92868	0.6
194.95531	0.6
205.07243	1.0
205.15947	0.7
210.89299	0.4
217.07253	0.6
231.08800	1.5
233.10339	100.0
234.10489	5.5
241.14482	0.4
241.79289	0.5
259.15488	0.8
276.93155	0.4
277.16568	90.1
277.21652	5.6
278.16748	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	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.36398	0.3
59.01380	3.0
69.07469	2.2
78.07941	0.3
79.95744	0.3
83.43803	0.3
84.09355	0.3
127.07573	0.4
166.49821	0.3
194.95468	0.4
205.15944	0.6
205.19508	0.3
233.19139	0.4
233.22740	0.5
259.20593	0.4
275.20258	0.7
277.18298	4.8
277.21707	100.0
278.19113	0.6
278.22064	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	277.217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73499	0.3
59.01380	2.9
67.86121	0.4
70.67652	0.5
70.70623	0.3
71.01401	0.4
95.64867	0.3
117.11985	0.4
138.72885	0.4
146.05188	0.4
152.55447	0.4
185.06503	0.3
205.15913	0.5
275.20206	0.7
277.18350	3.3
277.21722	100.0
278.22058	5.1
283.27658	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.217
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01377	1.6
70.96171	0.2
71.01375	0.5
77.56091	0.2
124.65627	0.2
127.07636	0.5
150.21153	0.2
215.00928	0.2
233.15421	0.2
233.22699	0.5
259.20706	0.6
268.59943	0.2
275.20242	0.4
277.21722	100.0
278.22064	5.5
288.73868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.78349	0.4
59.01377	1.1
90.14516	0.5
121.33836	0.5
233.22777	0.6
271.73651	0.4
275.20053	0.5
277.21719	100.0
278.22034	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	278.067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
69.73219	0.3
70.03808	0.5
70.04124	0.4
71.01379	4.1
72.00919	0.5
80.96514	0.4
84.03926	0.3
88.04041	27.3
88.58459	0.3
93.03448	0.8
99.92560	0.4
114.01974	3.4
114.99552	0.5
115.00374	11.1
117.03474	0.9
119.05027	11.5
120.05363	0.3
132.03029	100.0
133.03345	1.2
134.03726	1.2
135.04523	1.2
137.02438	0.5
137.74696	0.3
145.02954	2.2
146.03267	0.4
147.08459	0.4
149.06039	1.6
162.05620	1.5
163.04004	3.0
178.05113	4.1
188.07167	0.6
190.08667	0.4
204.06625	0.3
214.23395	0.3
216.06619	0.5
221.96312	0.4
234.07700	3.4
263.10321	2.9
264.11148	1.6
264.53531	0.4
270.26730	0.4
278.06717	9.1
279.06897	0.4
279.13510	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	278.0669
Annotation	N-(E-4-coumaroyl)-aspartate
Peak:m/z	Relative Intensity
52.97492	0.7
54.49780	0.8
58.01842	0.7
59.01378	1.2
69.22903	3.5
71.01382	16.0
88.04036	1.6
93.03465	7.1
102.65012	0.7
108.91314	0.7
114.01967	21.7
114.55563	0.7
115.00371	20.0
117.03453	0.8
119.05027	100.0
120.05370	2.3
132.03033	17.0
133.01401	1.4
133.03072	0.9
134.03780	1.2
135.04518	1.8
145.02933	4.8
145.06609	0.8
146.03273	1.2
146.06071	3.4
147.04541	4.4
148.05151	0.9
161.02493	0.9
162.05605	24.6
163.04012	46.8
172.07710	1.3
178.05048	2.6
190.08754	2.9
196.53760	0.7
204.03822	2.6
204.06714	1.1
216.06604	6.8
234.07660	5.6
262.13089	0.8
263.10291	0.7
264.11053	0.8
277.11957	2.0
278.04041	2.9
278.06671	54.4
278.12747	2.5
278.21707	0.7
279.06879	2.4
279.13419	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	278.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20974	3.1
59.01371	11.4
61.98808	6.5
65.62768	3.7
70.07965	4.8
70.08285	6.3
71.01376	7.9
83.36392	3.7
88.04047	25.6
90.83905	3.8
114.01974	8.7
115.00356	14.5
117.03387	4.4
119.05030	31.2
132.03027	100.0
134.03763	5.9
134.89467	6.3
135.04498	8.5
146.08243	6.3
147.08621	4.3
149.06061	9.3
149.31111	3.1
162.05617	6.4
163.04028	16.3
166.22746	3.6
172.78870	3.3
177.21666	3.2
178.05112	29.3
190.73994	4.0
195.93352	4.0
199.68671	3.7
234.07697	9.7
253.25838	4.4
262.12686	4.9
262.66266	3.6
263.10306	14.2
263.13181	7.3
264.11224	7.5
278.06662	24.3
278.12686	4.5
278.15558	3.6
279.13498	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16287	6.5
59.01369	8.1
66.04096	7.9
78.95895	22.6
82.02946	10.7
96.96967	28.6
98.97384	8.4
99.92570	8.7
100.93349	32.2
103.16936	7.4
103.92043	44.0
110.02470	32.0
111.00872	17.2
111.02041	36.6
115.92085	43.0
116.92850	13.6
122.89430	100.0
125.87373	7.2
151.00171	24.8
180.95906	7.6
200.05600	15.9
242.95975	15.7
243.06190	88.5
278.97983	13.5
279.03775	7.3
279.23334	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16287	6.5
59.01369	8.1
66.04096	7.9
78.95895	22.6
82.02946	10.7
96.96967	28.6
98.97384	8.4
99.92570	8.7
100.93349	32.2
103.16936	7.4
103.92043	44.0
110.02470	32.0
111.00872	17.2
111.02041	36.6
115.92085	43.0
116.92850	13.6
122.89430	100.0
125.87373	7.2
151.00171	24.8
180.95906	7.6
200.05600	15.9
242.95975	15.7
243.06190	88.5
278.97983	13.5
279.03775	7.3
279.23334	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	279.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.33210	0.6
69.60761	2.4
71.01379	19.2
76.54698	0.6
87.00867	0.6
93.03459	0.7
98.22606	0.9
115.00380	9.6
119.05028	60.0
120.05370	1.5
133.01447	8.2
163.04010	100.0
163.63397	0.8
164.04349	3.0
166.01443	0.7
279.04578	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91776	0.7
59.01360	1.2
69.65802	1.8
71.01385	15.5
72.99297	3.1
89.02413	1.4
98.22560	1.3
105.38077	0.5
115.00376	37.0
119.05030	35.4
119.05906	1.0
133.01434	100.0
147.04512	2.4
159.69397	0.7
163.04008	32.5
172.62695	0.6
279.23114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94588	0.4
59.01369	1.3
62.80744	0.4
64.26925	0.4
70.87528	0.6
71.01383	19.7
78.63758	0.4
78.80463	0.4
83.99158	0.4
88.43427	0.4
93.03466	0.9
110.55238	0.5
111.24155	0.5
115.00361	6.4
119.05029	58.5
120.05335	1.2
126.70761	0.5
133.01381	0.6
134.89450	2.1
135.04497	0.5
136.89185	0.9
163.04008	100.0
164.04350	2.5
182.42682	0.5
199.45555	0.6
243.79063	1.2
272.43967	0.5
279.23251	1.9
280.00632	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0661
Annotation	Neodunol
Peak:m/z	Relative Intensity
57.55086	0.6
58.06094	0.6
61.98845	0.8
64.96439	0.5
65.00333	3.5
117.03468	2.1
134.89488	1.7
136.89169	1.3
141.07069	1.1
151.07617	1.7
158.03760	1.2
161.02420	5.8
165.07028	1.1
169.06572	5.5
179.08630	0.6
183.08202	0.7
191.08638	1.8
193.06598	2.6
206.07431	1.3
207.08144	6.4
209.06105	3.5
217.06561	1.4
219.84494	0.7
234.06914	1.8
235.07648	8.4
235.17030	0.8
237.05568	3.6
243.79150	1.3
251.07120	1.8
261.05524	0.9
279.06619	100.0
279.19644	2.9
279.23260	0.9
280.06949	5.6
280.84988	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1239
Annotation	Epilaccishellolic acid
Peak:m/z	Relative Intensity
53.63722	1.2
54.39350	1.3
57.03437	5.0
57.21169	1.3
59.01374	4.0
69.03462	2.9
69.53442	4.8
72.67875	1.2
79.05515	1.5
81.03457	3.0
83.05026	4.5
84.02173	1.4
95.05037	2.7
97.02944	8.6
99.04533	5.5
100.68365	1.3
102.19869	1.3
103.79752	1.4
107.05036	2.7
109.02998	2.1
109.06607	2.3
111.04531	4.2
119.05061	1.4
121.06595	5.6
123.08158	3.9
125.06087	8.4
135.04541	3.1
136.05299	16.8
137.09711	3.4
139.07671	9.0
147.08128	2.9
147.11761	2.3
149.02449	1.5
149.06096	2.2
151.07651	100.0
151.11226	9.0
152.07976	3.1
156.09421	1.5
157.10228	2.5
158.07339	3.8
159.08150	2.8
167.07143	4.7
168.07922	25.7
169.05339	1.4
169.08675	9.5
171.08165	1.9
171.11835	6.8
173.09718	8.1
175.11247	3.8
179.07172	5.0
179.10805	2.2
184.08916	17.5
187.11319	8.5
189.09045	1.5
189.12843	10.2
191.10727	2.0
199.11266	11.4
201.09256	7.5
202.10023	4.7
205.12344	35.4
215.10757	5.0
217.12338	57.7
218.12720	3.4
233.11932	2.0
235.13437	5.6
243.10406	1.9
261.11145	3.4
279.12415	18.9
279.15680	2.3
279.23328	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	279.1237
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
56.35185	1.5
56.50997	1.3
57.03443	7.6
59.01369	2.0
60.57252	1.3
69.03452	3.1
70.97460	1.9
83.05023	9.5
86.35503	1.5
95.05007	4.2
97.02940	20.3
97.06603	1.4
98.60918	1.3
99.04510	1.6
109.02924	4.2
109.06584	17.9
110.03761	1.7
111.04490	4.1
112.25674	1.6
121.06583	5.9
122.02879	2.7
122.03731	41.9
123.04495	2.0
124.05292	21.5
125.06046	3.0
135.26231	1.7
136.05269	3.2
137.06085	30.3
139.07654	87.4
140.08005	2.2
147.08173	2.1
148.08997	1.5
161.09712	1.7
163.11276	2.4
168.07953	16.7
169.08646	2.4
171.07997	2.0
177.12811	5.0
187.11272	10.7
189.09200	2.6
190.09956	8.9
205.12325	100.0
206.12621	4.0
235.13361	6.5
249.11354	1.8
265.05899	3.1
279.07742	6.0
279.12375	12.5
280.08514	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	279.1238
Annotation	Nigellic acid
Peak:m/z	Relative Intensity
53.51375	0.6
54.14626	0.7
57.03451	20.9
59.01367	2.3
64.58858	0.7
69.00402	0.6
69.03467	4.0
71.05029	0.8
79.05512	1.2
81.03468	1.1
83.05025	12.9
85.02951	3.0
93.03460	1.2
95.05027	3.7
96.02177	0.7
97.02951	20.2
97.06577	2.2
99.04515	1.4
107.05048	1.6
107.43555	0.6
109.02958	8.2
109.06586	14.2
110.03716	2.1
111.04538	5.3
119.08664	2.5
121.06596	7.9
122.03743	54.3
123.04595	4.7
123.08173	2.7
124.05312	9.8
125.02440	1.1
125.06084	2.0
127.04031	1.9
135.04526	1.7
135.08189	1.4
136.05318	4.0
137.06087	57.6
137.09695	1.4
138.06445	1.1
139.07652	36.6
140.08000	0.9
140.75333	0.7
145.10223	1.0
147.04494	2.7
147.08177	6.7
149.06081	0.8
151.03981	0.7
151.11220	1.1
161.06108	0.8
161.09653	1.2
161.13336	1.3
162.06866	1.5
163.04021	0.8
163.07533	0.9
163.11305	2.0
165.05595	0.9
165.09233	1.2
168.07951	5.4
169.08803	0.9
171.08151	1.3
172.08929	1.7
175.07729	0.9
175.11267	2.0
177.09259	1.3
177.12862	6.4
180.07910	2.7
187.11292	15.6
188.11630	0.9
189.09229	2.5
190.09985	9.5
202.09996	1.0
205.12326	100.0
206.12697	2.7
217.12317	9.9
235.13379	15.3
236.13779	1.6
279.09406	1.1
279.12378	26.0
279.15652	1.7
279.23282	0.8
280.12680	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96335	3.4
59.01388	6.9
134.03764	10.8
134.89432	4.0
135.04509	21.3
149.06053	27.1
163.03998	7.2
176.03568	7.0
178.05106	55.2
219.84552	12.4
234.07663	23.4
243.78957	7.3
249.77789	3.8
263.10361	39.6
264.11044	21.6
279.13528	100.0
279.23212	19.4
280.13855	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	279.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.5
59.88128	0.5
66.54993	0.4
69.88819	1.3
69.89169	0.9
71.01379	1.8
73.18321	0.4
84.31281	0.5
84.78587	0.5
88.04033	3.7
89.04358	1.0
93.03449	3.7
107.05024	2.2
109.02953	0.6
115.00367	1.4
119.05002	1.8
120.05356	1.3
132.03049	11.4
133.03436	5.2
134.03743	19.4
135.04539	15.3
136.01657	1.8
136.96854	0.5
137.02457	3.6
147.04483	0.7
148.05313	3.5
149.06091	30.2
150.05473	0.8
150.06514	0.6
160.04103	0.7
160.05304	0.6
161.02513	0.9
161.04442	0.6
162.03229	0.7
163.03978	0.6
175.02731	2.1
176.03529	7.0
177.04115	0.7
178.05095	72.5
179.05437	1.7
190.05125	2.8
204.06671	6.0
219.01492	0.6
234.07706	31.3
235.07968	1.3
247.10837	2.6
261.88956	2.0
263.10364	46.7
264.11142	32.3
264.48999	0.5
265.11398	0.9
278.91550	1.0
279.13498	100.0
279.23328	3.1
280.13831	4.9
304.88925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1602
Annotation	Mairetolide E
Peak:m/z	Relative Intensity
55.53344	0.6
59.01393	0.8
68.57501	0.6
69.43580	3.1
96.96029	0.7
107.37437	0.6
113.16022	0.7
134.89485	1.1
136.89154	0.9
148.38438	0.6
157.20242	0.6
235.17029	12.7
279.16022	100.0
279.19302	4.0
280.16373	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	279.1601
Annotation	Mairetolide E
Peak:m/z	Relative Intensity
59.01380	4.2
69.73111	1.6
71.05025	1.8
74.28092	1.9
74.37789	1.6
78.32516	1.8
97.06572	8.3
108.02390	1.5
121.06612	2.3
134.89494	5.8
157.08691	1.9
207.10313	3.3
217.15955	13.2
235.17032	29.9
243.79060	2.9
279.16013	100.0
279.23016	2.8
280.16339	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	279.1602
Annotation	Mairetolide E
Peak:m/z	Relative Intensity
50.31160	0.8
52.46041	0.7
55.27651	0.8
59.01368	1.8
67.37563	0.8
69.03449	2.5
69.10310	3.9
88.30265	0.8
97.06580	2.4
109.06609	0.8
122.03770	0.8
136.89093	1.2
152.62448	0.7
177.12840	1.4
191.14456	1.0
198.22748	1.0
199.46030	0.8
203.14314	1.0
205.15930	2.6
215.14429	4.6
217.15988	4.4
233.15479	4.1
235.17024	35.1
236.17380	2.7
279.16003	100.0
279.23019	2.5
280.16391	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	279.1965
Annotation	12S-HHTrE
Peak:m/z	Relative Intensity
53.57800	0.6
57.03430	2.3
57.28448	0.6
59.01347	1.4
69.07865	1.5
69.08279	3.2
83.05027	2.8
96.96000	2.3
108.47550	0.8
110.04810	0.6
111.08167	6.3
117.27139	0.6
119.75180	0.8
121.10203	0.8
127.11300	2.4
134.89424	1.0
140.23962	0.7
149.09724	2.7
171.10274	9.3
183.10236	2.0
191.64098	0.7
235.20671	1.4
255.74353	0.7
261.18628	0.9
279.19656	100.0
279.23120	6.9
280.20053	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	279.2323
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
71.57806	0.6
87.35801	0.8
96.51617	0.7
96.96017	1.4
279.16418	2.5
279.23297	100.0
280.23651	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	279.2323
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
54.12106	0.2
57.74313	0.2
59.01371	0.8
59.53920	0.2
69.95061	0.7
83.20175	0.2
89.83066	0.2
93.91376	0.2
96.96008	0.3
126.70042	0.2
235.16904	0.3
251.31302	0.2
279.23285	100.0
280.23624	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	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.23569	0.4
57.50820	0.6
59.01091	0.6
59.01377	4.0
65.16080	0.5
71.01394	0.9
71.41051	0.7
87.79688	0.5
92.22685	0.4
92.31245	0.5
95.50444	0.4
98.87193	0.4
102.74476	0.4
127.22503	0.5
134.89540	0.6
152.53903	0.4
157.23936	0.5
172.73079	0.5
197.22340	0.5
256.75897	0.5
261.22290	0.5
279.23297	100.0
280.23685	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	279.2329
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
52.40586	0.3
53.48967	0.2
54.04196	0.3
59.01377	0.5
69.92628	0.8
76.10107	0.3
134.89474	0.9
136.89203	0.3
199.00644	0.3
241.79448	0.5
243.79193	0.6
261.22192	0.4
279.23294	100.0
280.23618	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98034	11.1
59.01384	12.3
59.64239	1.8
59.91422	1.7
64.33344	1.7
69.72634	2.2
71.87117	1.8
77.03970	5.8
92.10299	1.7
93.03506	1.9
97.02953	4.1
99.95659	1.9
103.05536	3.1
113.00675	60.4
113.75385	2.0
120.99654	85.7
132.69331	1.9
136.89182	3.0
143.38586	1.9
147.02737	4.8
149.04305	100.0
150.04636	2.9
159.04527	2.2
193.03297	38.7
221.67497	1.9
221.84335	2.0
245.02705	2.9
252.32300	2.2
280.23575	2.3
281.04733	3.5
281.11447	2.7
281.14243	4.8
281.17303	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	281.049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83566	4.7
59.01375	35.8
69.24110	29.2
71.32769	5.0
86.27368	5.1
115.05624	5.8
123.02790	6.6
132.89954	4.9
147.02765	11.5
148.03525	5.5
149.04315	100.0
150.25902	5.7
159.04559	9.0
193.03299	62.9
215.02086	5.3
229.53284	4.9
235.13696	5.3
281.14063	12.4
281.17175	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	281.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01723	1.1
67.63543	0.4
69.76485	1.4
71.01391	0.9
73.02917	0.4
78.95895	0.5
85.02974	0.6
93.37164	0.4
98.21867	0.5
101.02473	1.6
119.16267	0.5
123.51899	0.4
147.96542	0.4
160.70073	0.4
161.04617	0.9
221.10295	3.6
247.28670	0.4
281.12280	0.6
281.24884	0.9
282.04016	1.3
291.92737	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1395
Annotation	Carolenalol
Peak:m/z	Relative Intensity
55.01875	2.7
57.03447	30.8
59.01115	3.0
59.01382	36.7
65.03971	2.5
69.39436	3.9
69.39838	9.1
83.05025	15.4
87.00880	11.3
93.03416	3.3
95.05025	9.4
97.02893	2.9
98.03748	3.0
109.02943	2.8
109.06596	4.5
111.04539	10.0
111.08186	11.4
113.06062	2.6
121.06615	10.0
122.03737	4.4
124.05309	18.8
128.32564	2.0
137.06097	5.5
137.09731	8.8
137.39804	2.5
138.06851	4.1
139.07661	63.1
140.03145	2.1
145.10205	3.1
151.07620	2.7
153.09195	11.9
154.83537	2.5
164.04819	3.6
165.09204	3.2
171.11801	34.3
177.30402	2.1
189.12863	22.3
190.13112	2.6
201.12865	8.3
207.13945	13.3
219.13942	21.1
237.14966	100.0
238.15312	4.6
281.11102	3.8
281.13980	60.0
281.24854	6.1
282.14319	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	281.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16345	0.9
59.01381	100.0
69.14802	5.5
74.00615	0.9
84.09603	0.8
92.37072	0.9
96.96000	1.2
101.69636	1.0
107.05019	1.0
122.01936	3.0
137.05350	0.9
151.05861	4.0
152.00214	1.7
161.09767	1.2
179.10745	2.7
195.04892	4.3
196.13156	0.9
206.09451	3.4
221.11826	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	281.1395
Annotation	Artabsinolide C
Peak:m/z	Relative Intensity
51.54485	1.7
59.01374	16.7
61.98813	1.5
63.72848	1.3
65.03962	51.5
66.36131	1.5
69.03467	2.5
71.05311	1.8
81.03452	10.7
83.05016	8.8
93.03455	14.6
97.06575	4.5
97.17234	1.7
105.34579	1.8
106.04243	2.0
108.02203	2.6
109.02959	9.6
110.03750	3.1
111.04530	12.0
121.06557	1.7
122.03736	2.8
123.04471	1.6
125.09737	12.9
130.44652	1.5
135.08189	2.1
144.36176	1.7
147.08189	4.0
147.70421	1.7
152.18259	1.6
153.39986	1.6
155.86705	1.8
164.04802	1.9
171.10246	12.2
175.11234	4.9
193.12357	3.1
201.12865	9.8
219.10275	26.0
219.13736	2.2
221.84219	2.3
235.13379	13.0
237.11322	18.7
237.14944	4.5
245.11829	20.5
263.12878	100.0
264.13293	7.9
281.14151	18.3
281.24612	2.8
282.17105	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	281.2123
Annotation	6-Oxabicyclo[3.1.0]hexane-2-undecanoic acid methyl ester
Peak:m/z	Relative Intensity
56.63257	1.0
56.89429	1.3
57.03452	1.5
59.01377	4.9
61.98837	1.7
68.19907	1.0
69.41802	5.4
98.95599	1.3
111.08185	2.9
127.11293	3.9
129.50221	1.1
136.89204	1.8
157.08702	33.1
164.04829	9.5
186.69434	1.1
263.20175	36.9
264.20609	2.4
281.11914	12.2
281.21231	100.0
282.12256	1.1
282.21542	5.1
289.93726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.2485
Annotation	Vaccenic acid
Peak:m/z	Relative Intensity
71.12014	0.4
74.40779	0.4
78.68010	0.3
79.95734	0.6
119.39286	0.4
134.89363	0.5
154.56668	0.4
217.94176	0.4
237.99324	0.6
246.79521	0.5
281.24860	100.0
282.25211	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	282.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35670	1.7
59.01373	4.0
60.75935	1.6
69.12778	6.7
69.13194	4.1
70.80115	1.5
71.01389	29.0
74.88140	1.7
80.30073	1.7
88.04046	27.7
91.01878	4.1
108.02180	35.0
114.01981	31.4
115.00375	53.4
117.39561	1.6
123.04531	52.8
132.03029	73.0
135.04564	2.7
150.05608	4.8
151.02756	10.8
151.03989	3.3
166.05101	59.9
167.02097	3.0
167.03502	49.4
173.43031	1.5
178.05139	8.7
179.05869	2.8
194.08231	3.6
195.09343	1.7
220.06134	13.1
238.07211	13.0
264.05167	9.5
282.06177	100.0
283.06424	4.6
283.26413	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	282.0843
Annotation	Guanosine
Peak:m/z	Relative Intensity
54.01085	0.1
59.01380	1.6
60.88195	0.1
61.85411	0.2
66.00968	0.5
68.99560	0.7
70.56494	0.3
71.01395	0.2
75.00896	0.2
78.95876	0.2
82.04104	0.8
85.02970	0.2
103.92071	0.2
104.97160	0.2
107.03639	4.2
108.02041	9.0
108.90192	0.4
109.02381	0.1
112.98592	1.2
124.89148	0.4
126.03098	5.0
130.08733	1.7
133.01564	29.3
134.01897	0.5
140.07182	0.2
144.68115	0.1
150.04213	100.0
151.02609	0.3
151.04671	1.7
158.99492	0.1
164.05814	0.2
164.34886	0.1
183.99907	0.1
184.01065	1.5
185.01224	0.2
186.85176	0.1
201.02554	1.1
221.73599	0.1
223.43407	0.1
233.73198	0.2
282.08432	30.7
283.08713	1.2
283.26266	0.2
285.81961	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	283.0286
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40385	0.4
58.70102	0.4
59.01379	100.0
60.01720	0.5
61.98829	10.2
69.91228	0.9
69.91602	0.6
91.26196	0.4
98.22375	1.2
99.98925	1.6
110.92614	0.8
112.92331	2.7
113.04538	0.4
113.31013	0.4
117.00455	0.6
137.94493	0.5
138.92142	0.5
138.94559	1.3
138.96474	1.2
139.94244	6.6
140.01985	0.5
140.91838	3.9
140.94267	2.5
141.00467	1.0
141.01639	0.5
141.93977	0.8
141.99969	40.2
145.17393	0.4
152.93657	0.7
154.93369	2.8
157.03584	5.7
159.01517	3.2
180.95740	0.5
181.95232	2.3
182.95432	1.4
184.01007	13.0
201.02548	94.1
202.02711	5.8
282.95367	3.6
283.01511	0.5
283.26398	11.3
283.95163	1.3
284.01123	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	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16408	0.9
59.01378	100.0
61.87206	0.9
64.17802	0.9
68.67745	0.8
71.01367	1.8
78.95906	12.9
80.65903	1.0
80.96426	1.0
96.36584	1.1
96.95997	4.5
118.94207	10.1
135.28806	1.0
136.93976	1.0
157.03535	5.0
159.01463	1.5
169.91139	1.0
178.95020	1.2
182.09270	2.0
192.26201	1.0
200.94473	53.0
201.02547	67.0
202.02698	2.9
212.10550	1.0
258.89655	1.7
282.94891	3.1
283.26474	7.0
284.12592	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	283.0685
Annotation	Xanthosine
Peak:m/z	Relative Intensity
51.42745	0.2
59.01379	3.4
69.80078	0.2
69.80399	0.4
98.99391	0.2
108.02039	8.8
121.02889	0.2
126.03071	0.3
141.00493	0.4
141.99957	0.6
150.04309	0.2
151.02612	100.0
152.03050	1.6
157.03557	0.3
184.00920	0.2
201.02550	3.3
202.02802	0.2
283.06827	20.0
283.26465	1.3
284.01086	0.3
284.06912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85513	0.6
59.01379	100.0
63.24450	0.7
69.42138	2.9
75.00874	0.8
85.44083	0.6
98.22659	0.8
98.43160	0.7
121.06647	1.1
138.92007	0.8
139.22438	0.7
149.18962	0.7
158.07007	0.7
165.09227	1.7
201.02605	1.5
283.06100	5.3
283.12128	1.2
283.15527	1.6
283.26434	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.0
59.01378	17.5
65.03959	18.3
69.03455	6.0
69.68671	4.5
69.69066	4.6
74.07616	2.2
81.03466	10.5
83.05023	27.9
86.96525	2.1
90.82561	2.1
93.03471	8.9
111.04526	100.0
124.03025	2.2
149.09689	2.9
171.10265	87.3
179.10774	2.6
199.09723	4.6
201.02579	4.6
201.11299	10.3
203.14528	2.2
213.11182	2.0
219.84814	2.2
221.11978	4.6
239.12903	9.5
247.13350	14.8
265.14478	39.8
283.06479	2.6
283.15381	4.4
283.26419	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	283.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	4.5
56.73380	2.3
59.01384	16.3
65.03977	15.7
69.03459	7.1
70.80322	2.7
81.03441	6.2
83.05032	27.4
88.84380	2.4
93.03464	6.5
111.04527	100.0
120.58652	2.5
123.08247	2.5
127.11295	2.4
149.09724	2.5
165.92307	2.4
171.10272	69.9
177.12700	2.7
201.02530	6.2
201.11409	12.3
203.14470	5.5
213.11290	2.9
216.26126	2.5
221.11801	4.2
229.12340	3.8
239.12892	12.2
240.42909	2.3
247.13345	20.8
265.14429	58.7
266.14627	4.4
282.89642	3.1
283.15466	6.4
283.26413	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1703
Annotation	4,4-Bis(4-hydroxyphenyl)heptane
Peak:m/z	Relative Intensity
53.29789	0.8
56.83030	0.7
57.77525	0.8
100.62610	0.6
107.05031	100.0
108.05374	2.5
123.58765	0.7
163.11298	96.9
164.11641	2.0
283.17038	97.0
284.17337	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	283.1916
Annotation	Koninginin C
Peak:m/z	Relative Intensity
57.01743	0.6
57.03449	4.1
59.01366	3.4
61.98824	0.7
62.45484	0.5
65.90535	0.5
69.54671	1.0
69.55028	2.0
73.02973	0.5
81.68701	0.6
83.05017	1.8
95.05079	0.7
97.06581	0.8
111.08175	4.6
113.09743	2.9
113.64013	0.6
123.08132	1.0
125.09733	5.3
127.11312	1.3
139.07654	6.0
139.11302	1.3
139.22166	0.6
141.12834	1.6
151.80009	0.6
155.10829	3.1
167.10756	0.8
185.11848	3.8
197.90280	1.2
201.02518	1.6
209.19106	0.7
219.17630	1.1
237.18602	31.8
238.18964	1.9
265.18152	1.2
283.19153	100.0
284.19516	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	283.2279
Annotation	2-Methoxy-5Z-hexadecenoic acid
Peak:m/z	Relative Intensity
59.01374	1.9
61.98815	0.7
69.10535	0.5
70.66719	0.8
72.21038	0.4
83.90566	0.5
95.05052	0.6
180.41768	0.5
182.86058	0.5
200.94525	1.7
235.20676	1.2
237.22253	28.1
238.22565	1.9
265.21750	0.9
283.22803	100.0
284.23129	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	284.0114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01717	12.6
67.94404	6.9
69.38211	26.7
71.01391	44.2
72.99312	27.2
78.95898	30.6
80.47376	6.7
87.00871	9.3
97.84008	6.9
99.05637	18.3
107.76658	6.5
108.77971	6.6
120.75044	8.0
127.02511	9.5
128.95956	25.8
141.99966	24.9
149.00932	60.5
149.16905	6.1
159.01511	9.9
162.25296	6.8
180.99896	7.8
182.09348	48.7
186.96494	27.9
187.01077	12.8
201.02545	11.6
202.02718	65.7
203.02281	16.3
212.10452	16.2
283.26453	37.0
284.01099	11.3
284.12524	81.6
284.26697	10.4
285.01019	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	284.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61420	6.1
59.01373	42.2
59.17611	5.8
78.95883	16.7
96.96029	70.6
96.96981	21.5
101.63489	6.5
108.02172	62.2
111.00901	8.0
114.05642	10.6
119.05036	47.7
120.01261	27.2
120.99635	22.5
121.02945	19.9
135.04514	18.1
148.01909	7.3
149.96344	9.6
152.01120	37.6
152.07204	6.5
153.01945	23.7
162.05632	60.8
163.03998	9.4
164.07156	6.8
179.03429	8.0
186.95633	8.1
202.02785	13.6
202.64217	7.4
202.98688	7.9
241.08298	100.0
263.77185	6.8
283.26434	65.6
284.00391	8.8
284.03619	22.3
284.09216	18.3
284.12164	7.7
284.26736	29.5
285.06119	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0616
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
59.01375	11.7
68.43456	1.4
69.56261	1.8
69.56614	5.0
69.62471	1.3
82.42683	1.3
83.94863	1.2
95.69942	1.3
108.02171	100.0
109.02995	14.5
119.05029	5.0
120.99638	5.5
125.87286	3.5
135.04378	1.5
151.03964	2.3
152.01149	67.1
152.91769	3.0
153.01947	29.0
174.99200	4.2
186.95584	3.4
202.89043	1.6
202.98691	7.5
203.02251	1.9
212.62273	1.5
217.00336	4.1
231.76295	1.5
284.26691	3.5
285.06165	76.0
286.06384	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	285.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	26.1
69.20329	3.7
78.95898	1.0
80.66669	0.8
96.96963	3.4
123.04503	1.1
128.67476	0.8
132.98199	1.5
174.99252	8.8
186.99220	2.1
200.36922	0.8
202.98920	1.9
209.07951	2.0
215.06050	2.3
239.02332	1.9
241.03958	4.7
243.05495	43.6
244.05717	1.5
257.07132	3.9
284.26770	1.0
285.06561	100.0
285.20316	1.1
286.02264	1.0
286.06949	3.5
287.04453	1.0
299.52264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24751	6.5
58.63921	6.0
59.01376	100.0
70.58897	11.7
71.01360	10.6
73.02949	14.3
78.91895	13.1
78.95904	26.7
85.02964	23.5
88.63482	6.4
99.00876	6.8
101.00920	6.5
108.02161	24.0
111.00877	99.9
117.00444	10.7
119.05033	61.7
120.99649	99.2
122.03723	13.2
123.04539	13.4
127.02509	11.4
129.01996	16.0
132.22665	6.3
133.01479	11.1
138.32512	6.7
140.34297	6.3
141.00388	15.2
142.87561	7.3
143.01993	23.9
149.63007	7.0
152.01129	16.0
157.03697	8.4
159.01445	14.4
163.03998	10.1
166.97514	81.1
167.01778	12.3
168.99921	24.7
186.95551	21.0
187.00972	30.5
201.02489	15.2
203.02267	42.8
210.96460	41.7
212.79854	7.1
212.98911	70.5
213.99246	6.7
240.90802	13.8
284.26672	16.8
285.01019	11.1
285.06323	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	285.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	29.7
64.98759	3.2
72.00931	4.9
73.45175	3.5
74.02479	15.8
93.93426	3.3
109.02939	3.4
116.05061	39.1
117.05367	3.7
119.05067	4.0
120.99640	4.6
123.04547	4.4
125.87345	5.5
130.06615	12.9
134.89397	7.0
142.06621	13.8
146.28181	3.5
152.91801	6.1
153.01971	6.3
157.07756	4.3
159.09290	13.2
166.07692	3.3
174.99245	8.3
202.98746	27.8
203.02377	4.4
203.08264	100.0
204.08524	5.9
216.05656	3.5
216.30035	3.6
217.00272	4.9
225.06461	69.3
226.06749	5.2
227.93378	3.7
266.24826	3.5
280.98291	3.9
284.26840	9.8
285.06018	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	285.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02967	6.5
59.01381	100.0
70.02983	8.8
70.04422	2.6
71.01379	2.8
72.00903	1.4
83.05046	3.6
88.48091	1.2
89.02458	3.0
89.50118	1.3
96.00923	4.7
98.02489	5.9
113.02500	1.9
119.05026	20.8
120.99660	36.0
121.00484	1.2
125.87358	4.2
152.91769	2.0
153.09232	1.6
163.04010	2.3
170.11870	37.7
174.99205	2.6
180.13940	15.4
182.11913	7.8
182.13275	1.4
186.95663	2.0
197.02834	1.6
197.11812	2.1
198.14995	16.1
202.98724	6.9
203.02391	1.6
206.11794	2.5
217.00360	2.8
224.12978	16.8
225.16089	11.4
241.15591	61.7
242.15811	2.3
250.10878	9.1
268.11801	1.8
285.14600	33.2
286.14737	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	5.9
59.01375	4.9
61.98845	2.0
63.96247	1.3
69.19954	1.8
69.20349	4.1
79.95734	2.4
82.04015	1.0
85.06577	1.5
95.05016	1.7
97.06587	12.0
101.06084	98.3
102.06441	1.7
113.06088	1.7
115.07646	10.4
116.92881	1.3
123.08179	6.7
125.09730	100.0
125.87330	1.2
126.10052	2.7
127.11246	4.2
134.89493	2.7
137.09677	1.1
142.87608	1.3
155.10776	2.5
165.09248	2.3
169.08664	2.4
171.10260	8.3
174.99283	2.8
183.10243	2.7
184.79660	1.0
187.09801	13.8
199.09767	1.4
201.11331	72.3
202.11674	2.0
202.98718	3.2
211.13426	1.2
223.17068	5.9
227.16451	1.5
249.14880	2.4
257.17627	11.2
267.15994	18.4
268.16367	1.4
285.17108	14.7
303.81244	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81580	1.3
57.03436	5.3
58.50488	1.4
59.01368	7.8
63.72683	1.6
69.11990	6.0
69.12414	3.6
73.02934	3.2
75.87529	1.6
76.61628	1.3
83.04982	2.7
97.06603	12.2
101.06081	100.0
113.06052	2.2
115.07661	8.9
123.08138	4.8
125.09725	96.5
126.10103	2.9
127.11295	4.0
155.10672	2.6
165.09235	2.7
169.08705	2.0
171.10260	9.5
187.09735	12.4
188.85382	1.4
201.11325	69.3
202.98752	3.1
220.94798	1.6
223.17006	6.3
227.16505	2.9
239.22238	1.6
249.15085	2.1
257.17545	11.3
258.17816	2.6
267.16010	22.2
285.17120	15.8
286.16757	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	285.171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	4.3
59.01385	17.1
71.42168	3.7
72.70113	3.5
81.54535	3.6
83.55379	3.4
87.63305	3.3
97.06587	9.0
101.06086	100.0
104.61466	3.1
113.06080	5.8
115.07653	14.4
121.58710	3.5
123.08101	6.0
125.09735	94.5
125.87296	4.6
127.11314	4.6
134.89459	5.8
155.10759	5.0
169.08609	6.1
171.10287	30.4
174.99290	5.6
177.72601	3.4
183.10281	4.8
187.09761	14.2
201.11325	65.6
202.98729	15.1
223.16989	5.1
227.16513	4.0
256.59485	3.7
257.17575	12.5
261.89349	3.6
267.15952	26.3
285.04010	11.9
285.17044	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03432	3.4
59.01375	7.0
61.98824	2.6
63.24342	1.3
69.80435	2.7
69.80769	1.9
74.84932	1.4
92.92797	2.4
98.21935	1.6
111.08137	1.4
113.09718	5.0
123.04498	1.7
125.87254	2.2
127.11289	1.9
134.50801	1.2
134.89447	2.0
141.09210	8.6
143.10793	1.8
152.91762	1.9
153.09215	4.6
157.08708	10.8
171.10262	5.1
174.99243	4.4
202.98753	8.3
217.00262	3.6
249.18637	5.2
267.19632	7.0
272.90033	1.3
285.20721	100.0
286.21179	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2072
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
57.03436	0.8
59.01372	1.3
60.99290	0.3
63.17339	0.3
71.42774	0.3
71.92381	0.3
73.60112	0.3
83.05047	0.4
95.05031	2.2
97.06588	11.3
98.06914	0.4
99.08163	2.5
109.06578	1.1
111.08168	0.6
111.72356	0.3
113.09731	0.6
115.07646	0.7
125.06097	1.8
125.09709	0.4
127.07671	1.2
127.11359	0.4
139.11325	0.6
141.12846	5.9
143.07138	6.4
155.14424	1.0
169.12341	8.2
169.16025	0.4
174.99278	0.4
180.77684	0.3
202.98682	0.6
209.19171	0.4
211.20636	2.2
221.19101	3.0
223.20720	1.6
231.17526	1.0
239.20152	5.4
241.21796	0.5
249.18593	5.7
255.19705	0.8
257.21106	0.3
264.08533	0.3
267.19650	7.6
283.19138	1.3
285.20706	100.0
286.21048	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	285.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31881	0.6
53.23931	0.7
54.29015	0.7
55.10458	0.7
59.01377	1.7
61.77888	0.7
66.97656	0.6
69.62405	0.6
71.01368	0.7
82.11254	0.6
83.04985	0.6
85.02930	0.7
88.76468	0.8
111.08171	4.3
113.09702	1.8
123.04549	0.9
127.11290	2.4
129.09274	0.7
141.09195	1.0
155.10799	2.5
157.08711	10.9
202.98801	1.6
221.19119	1.0
228.75113	0.7
239.20291	1.1
241.21812	0.7
249.18680	1.9
255.19492	1.0
263.54926	0.6
267.19681	2.5
283.19141	2.4
285.20715	100.0
286.21033	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	285.2435
Annotation	2-Methoxyhexadecanoic acid
Peak:m/z	Relative Intensity
56.99843	0.8
59.01380	1.0
70.56560	0.7
71.99110	0.8
85.02953	0.8
132.04045	0.8
237.22247	3.3
239.23793	55.4
240.24142	3.8
267.23328	1.3
285.24347	100.0
286.24707	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	286.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	92.7
60.89767	63.0
61.98840	95.5
79.59658	69.0
107.86594	66.1
286.20877	100.0
305.37375	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2388
Annotation	Prosopinine
Peak:m/z	Relative Intensity
53.20042	0.5
59.01366	0.9
59.60011	0.5
61.98824	1.8
70.02972	0.5
70.93816	0.7
74.06112	2.6
81.23008	0.5
83.77586	0.5
118.05096	1.1
125.87318	0.9
134.78310	0.4
139.81647	0.5
175.17545	0.6
240.23270	3.2
242.21269	2.0
243.17421	0.8
268.22736	0.7
284.22382	0.7
286.23886	100.0
287.16495	2.0
287.24255	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	287.011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10853	0.7
59.01377	48.5
61.98829	10.0
69.06008	2.6
69.06413	3.2
72.63583	0.8
73.39084	0.7
74.69499	0.8
76.01134	0.7
91.05397	0.8
101.00950	5.9
115.02517	3.3
117.00446	97.5
117.31564	0.9
117.95478	0.8
118.00544	3.6
139.37103	0.7
141.00429	1.1
141.99973	3.7
143.00089	11.5
143.02005	3.4
143.87582	1.1
143.99692	14.6
144.87276	4.1
144.97479	12.2
144.99933	100.0
145.99333	8.6
159.01492	61.3
159.02866	1.2
160.01628	2.4
174.99503	2.3
185.01201	4.1
186.00832	3.4
186.98543	5.9
187.00984	33.6
188.00737	3.7
198.99513	1.7
201.02531	1.4
201.40428	0.9
202.98933	1.1
217.00499	6.7
218.00664	0.9
241.00731	1.1
243.02042	4.2
245.00101	4.2
259.01587	32.2
260.01819	2.7
287.01123	79.8
288.00977	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	287.0561
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
57.31179	0.5
59.01377	0.5
59.03683	0.3
63.02409	2.3
64.60685	0.4
65.00325	10.7
69.23206	2.1
69.23608	0.7
77.59798	0.4
83.01392	5.5
84.14684	0.4
87.10877	0.4
91.05521	0.4
92.04256	0.4
93.51941	0.4
107.01390	19.2
107.05042	0.6
108.99292	0.5
109.02942	2.2
125.02450	4.0
134.03760	1.7
135.04529	100.0
136.04832	3.1
136.72844	0.5
151.00375	89.1
152.00717	1.9
161.02415	0.8
165.01878	0.9
169.01390	2.0
171.68504	0.4
177.01961	0.4
181.03540	0.4
201.05591	0.5
260.83609	0.4
269.04532	0.7
287.05609	16.7
287.18735	0.6
288.06024	1.1
308.11496	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0562
Annotation	3,4-Dihydroxyphenyl caffeate
Peak:m/z	Relative Intensity
56.53484	1.2
57.03450	14.9
62.55625	1.2
65.06728	1.4
67.01880	1.7
69.03443	2.0
69.79871	2.7
69.80227	2.7
77.03961	2.7
79.01881	1.5
81.03445	2.1
83.01388	10.6
83.05011	1.7
93.03452	5.5
95.01383	1.6
95.05013	2.6
97.02956	3.3
98.22606	1.6
105.03487	1.3
107.05000	3.3
108.02119	1.7
109.02945	24.4
111.00906	2.0
118.93116	1.2
119.71900	1.2
121.02144	1.8
121.02957	22.1
122.03765	1.5
123.04528	2.4
124.01658	5.2
125.02444	100.0
126.02777	2.9
129.07063	1.6
131.05013	1.8
133.02924	2.9
135.04523	9.1
137.02441	60.3
138.86829	1.2
139.04018	1.6
145.06581	3.6
147.04521	6.7
148.05310	1.7
149.02441	30.6
149.06079	3.4
150.03233	7.1
151.03999	13.2
157.06561	1.7
158.03694	2.9
159.04532	11.3
161.02438	22.1
162.03232	3.0
163.03917	2.1
164.01141	6.6
165.01944	17.7
169.06572	1.3
171.04523	1.6
172.05318	6.1
173.06056	11.3
174.03238	4.3
175.03999	27.1
176.04712	2.5
177.01958	6.8
177.05600	10.3
182.03688	1.4
183.04515	3.4
185.02452	1.7
187.04019	1.4
189.05539	5.1
191.07143	4.9
197.06067	5.0
199.04059	4.4
200.04773	3.7
201.01932	1.6
201.03787	2.3
201.05565	29.4
203.03474	9.4
205.19875	1.4
213.05487	1.6
215.03506	1.5
215.07104	8.1
217.05019	8.0
219.06654	15.4
225.05531	6.4
227.03474	3.7
241.04999	3.9
243.02937	3.9
243.06613	12.9
244.03723	2.4
245.04579	6.1
251.03416	1.7
252.45755	1.3
258.05215	3.1
259.06061	26.7
269.04565	12.0
287.05591	67.4
287.14981	3.5
288.05933	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	287.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95675	0.3
57.03440	0.8
57.89076	0.3
59.01371	1.5
61.93778	0.3
69.39589	1.1
70.02972	2.0
71.01382	11.2
78.70410	0.3
80.06867	0.4
83.01376	0.4
85.02924	0.6
98.02477	7.0
109.02962	0.3
110.02485	1.8
114.01956	2.0
115.00377	20.0
115.41715	0.3
116.05065	6.2
118.06615	0.9
125.02440	6.0
128.05067	6.9
130.06630	2.6
131.03720	1.8
132.04555	24.7
137.02446	1.1
141.04591	18.4
142.04926	0.8
143.06157	13.3
144.04552	33.0
145.04875	0.9
145.07658	1.8
146.06119	39.5
147.06454	1.2
149.02429	0.4
156.04568	0.5
156.08218	0.8
157.05342	1.7
157.07684	0.7
158.06155	2.4
159.42940	0.4
160.04048	1.0
161.02443	1.2
162.05606	7.0
170.04858	8.0
170.06212	0.7
171.05637	74.5
171.09109	2.5
172.04066	6.5
172.05923	2.6
172.07664	3.0
173.06047	0.4
174.05608	0.7
175.03986	0.6
184.04050	0.4
187.05151	0.5
189.06694	100.0
190.05255	0.5
190.07004	2.8
199.08765	15.2
200.03600	0.4
200.07175	0.9
200.08986	0.6
201.05473	0.5
215.08293	0.6
243.07802	5.2
247.51505	0.3
259.06143	0.9
287.06790	9.2
287.14990	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	287.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09113	4.5
59.01376	37.0
59.51991	3.8
61.98812	7.2
63.91760	3.6
68.92194	3.6
78.95885	4.3
82.47964	3.8
87.00862	12.3
113.44406	3.6
117.00436	47.2
118.00528	5.2
125.02450	49.8
125.03564	100.0
130.08737	11.2
131.02010	5.5
133.02930	9.1
134.03688	5.2
135.04489	12.6
141.00453	3.9
144.99940	45.1
145.09830	21.5
145.99464	4.4
147.03943	3.6
155.74910	4.0
159.01515	34.4
161.02487	31.7
168.01520	6.5
175.02454	5.6
179.03464	12.7
183.01517	3.9
184.77954	3.6
187.00996	13.2
210.02592	17.6
216.99060	10.8
217.03596	4.7
259.01572	14.3
260.01688	5.1
287.01108	35.7
287.11243	6.3
288.01001	8.2
288.07773	5.6
288.15860	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	287.1653
Annotation	Hynapene B
Peak:m/z	Relative Intensity
57.03410	1.5
59.01379	17.8
61.02465	1.4
61.98798	1.7
69.47488	5.2
82.73981	1.4
83.05033	2.3
95.05008	6.3
95.64968	1.1
106.04198	2.5
107.05042	2.0
109.06574	7.3
121.06573	4.7
123.08163	5.5
125.09744	1.5
135.08144	2.5
140.86157	1.3
147.08157	3.1
149.09685	3.1
151.11276	1.5
159.08174	1.7
161.09683	7.6
163.11284	1.5
170.88316	1.7
175.11192	1.9
189.12845	46.3
190.13225	2.0
191.10695	1.7
195.10280	1.7
213.11305	22.5
215.14384	2.8
221.51254	1.3
243.17514	54.5
244.17850	3.4
269.15616	2.4
287.16541	100.0
288.16733	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	287.2226
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
54.09343	0.4
59.01369	1.6
61.98831	0.6
66.71017	0.5
69.65534	1.9
77.45654	0.6
98.22593	0.6
99.08158	2.0
129.09232	0.7
141.12888	1.3
151.17563	0.5
155.14470	0.7
241.21748	0.9
269.21201	2.6
285.20679	1.6
287.22281	100.0
288.22647	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	288.0765
Annotation	Bouchardatine
Peak:m/z	Relative Intensity
57.56427	0.3
59.01377	9.0
66.33888	0.3
66.80219	0.3
69.71920	0.8
69.72284	0.8
72.99336	0.4
74.02489	0.8
82.06620	0.5
84.08209	0.4
88.04045	0.6
90.97129	1.0
98.22590	0.7
110.02486	0.5
119.00244	0.4
128.07187	0.8
130.08736	100.0
131.09076	2.4
132.98225	2.2
141.98196	0.9
142.96631	0.6
145.99461	0.4
156.90265	0.4
156.99889	0.6
160.97705	0.7
174.99295	0.9
175.02477	0.4
184.97655	1.2
187.98741	0.4
193.32552	0.4
202.98755	1.0
227.97734	2.5
228.07341	0.7
243.06232	0.7
244.04993	3.5
244.13046	0.7
245.98822	0.6
246.06548	2.6
249.55133	0.4
288.07645	58.0
289.07956	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	288.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.5
59.01376	14.4
61.98829	100.0
69.16139	7.6
71.01388	1.3
75.44860	1.3
81.03453	2.1
83.05016	1.4
87.00858	2.0
88.04045	3.3
93.03450	1.7
95.05034	1.9
97.02969	3.1
109.02967	11.3
111.08153	1.9
119.05003	2.0
122.99213	1.6
123.04510	8.1
125.02466	10.2
125.03249	2.4
133.02942	3.9
134.03700	1.3
135.04532	4.6
137.02415	4.5
139.03975	2.4
151.03990	4.1
161.02463	8.7
165.01819	1.9
172.09813	4.2
179.03484	5.0
187.04181	1.7
188.04732	1.8
203.07112	5.7
205.05046	4.0
240.04221	3.4
245.08212	8.2
260.09326	2.2
284.03238	5.3
288.10947	3.3
288.18195	2.2
289.03915	2.0
289.07156	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1606
Annotation	Mesembrine
Peak:m/z	Relative Intensity
59.01368	0.6
68.87915	0.3
70.57078	0.5
81.03455	1.5
92.05056	1.0
93.03457	1.2
101.03340	0.3
108.04559	3.9
109.02950	4.2
121.02892	0.3
134.02481	31.6
135.03288	7.0
135.53706	0.3
136.04045	31.5
137.02448	1.6
137.04361	0.9
148.04030	0.6
149.04819	1.4
165.08411	0.4
176.03516	4.4
190.05026	0.5
201.87726	0.3
246.53444	0.3
288.16055	100.0
289.16354	6.1
289.21561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16883	0.2
55.01829	0.2
57.03440	0.9
59.01381	1.2
59.76384	0.2
62.95254	0.2
64.06194	0.3
65.00315	1.6
67.01882	0.5
68.91060	0.3
68.99832	1.3
69.19318	1.3
71.01385	1.0
73.56290	0.2
81.03454	0.8
83.01383	10.4
85.02951	0.7
89.02413	0.2
101.02454	0.7
107.01402	1.8
109.02955	4.3
109.60058	0.2
111.00836	0.3
125.02435	4.9
125.03313	0.4
141.16826	0.2
151.00374	13.1
152.00693	0.5
153.01938	100.0
154.02275	2.8
157.78026	0.3
232.60751	0.3
289.03864	0.3
289.07254	0.8
289.18051	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0717
Annotation	(+)-Catechin hydrate
Peak:m/z	Relative Intensity
55.33698	0.9
57.03439	5.3
60.36171	0.9
69.03431	0.9
69.78930	2.1
69.79263	1.5
72.81275	0.9
80.02746	1.0
81.03465	5.2
83.01375	4.5
91.07391	0.9
93.03446	2.8
93.13638	0.9
95.01344	1.8
95.05035	5.8
97.02950	11.5
98.21902	1.1
108.02185	1.8
109.02956	45.0
109.76937	0.9
111.54715	0.9
113.74633	1.0
121.02956	5.1
122.03719	2.0
123.04522	31.6
125.01522	1.4
125.02441	27.5
135.04529	3.5
137.02431	12.5
139.04045	4.5
145.02933	2.3
146.03758	2.1
146.78951	1.0
149.02463	5.0
150.03197	1.2
151.04004	15.1
156.44246	1.2
159.04494	4.7
160.05310	2.2
161.02417	1.7
161.06096	6.8
162.03207	3.2
163.04059	2.4
164.01149	4.2
165.01906	6.6
167.03488	2.5
173.06061	1.4
175.04025	2.5
175.07640	3.7
177.05508	1.0
179.03517	7.4
185.06026	1.0
187.04031	6.5
188.04790	4.2
198.88651	1.1
199.07690	1.0
201.05513	1.4
202.06325	2.3
203.07108	16.3
205.05025	11.0
212.04810	1.1
221.08250	5.8
227.07153	3.1
230.05836	2.0
245.08179	32.7
246.08659	1.4
247.06172	2.0
289.07184	100.0
290.07498	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0719
Annotation	(-)-Epicatechin
Peak:m/z	Relative Intensity
51.22386	0.7
53.85046	0.6
57.03448	6.0
59.01371	0.7
69.03448	1.6
69.13664	2.7
81.03461	7.0
83.01387	7.2
91.05533	0.7
93.03459	3.3
94.03811	0.7
95.01382	2.1
95.05019	7.4
97.02950	14.6
105.03463	0.8
105.42969	0.7
108.02154	2.1
109.02952	51.2
110.03282	0.7
117.03456	0.9
121.02950	5.6
122.03755	3.5
123.04522	33.4
124.04822	1.2
125.02446	31.2
131.04962	1.0
133.02916	2.4
135.04492	4.8
137.02452	21.0
138.03159	1.8
139.04010	6.7
142.67419	0.7
145.02939	2.4
146.03676	2.2
147.04488	1.4
149.02470	8.8
150.03186	2.1
151.00337	1.8
151.04008	17.4
157.06560	1.0
159.04521	4.2
160.05247	2.6
161.02419	2.9
161.06093	9.3
162.03198	2.6
163.04050	1.6
164.01158	5.1
165.01938	7.0
166.02673	0.8
167.03479	2.8
173.06082	1.9
174.03221	1.3
175.04008	5.2
175.07649	3.7
177.05620	1.4
179.03485	11.2
180.04001	0.8
185.06090	1.7
187.03993	9.1
188.04779	6.4
189.05618	0.7
193.04962	0.9
201.05588	1.5
202.06378	3.8
203.03535	1.4
203.07140	21.8
204.07458	0.9
205.01361	0.7
205.05063	12.7
212.04761	1.1
216.04218	0.8
217.05006	2.0
217.08705	0.9
221.04564	2.6
221.08159	6.4
227.07094	3.4
230.05843	1.7
231.02942	1.0
240.04094	0.8
245.04601	4.9
245.08173	33.5
246.08382	1.8
247.02464	4.3
247.06061	1.6
261.04001	0.8
271.06107	1.2
289.03690	8.4
289.07144	100.0
290.07455	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	289.0753
Annotation	Chloroxuron
Peak:m/z	Relative Intensity
69.75964	0.9
79.95735	2.9
80.96519	100.0
81.96442	0.4
83.05004	0.4
86.18037	0.3
98.22591	0.4
125.06085	0.3
143.07109	0.4
174.96967	0.3
188.45122	0.3
216.62355	0.3
241.63132	0.3
260.03922	0.3
286.50406	0.3
289.07526	48.8
290.07825	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	289.0831
Annotation	Indole-3-acetyl-L-aspartic acid
Peak:m/z	Relative Intensity
56.78640	0.7
57.03434	2.3
59.01387	4.0
69.03468	1.4
70.61392	1.3
71.01382	10.4
72.00894	0.8
80.02668	0.8
81.03454	3.3
83.01379	2.7
88.04044	100.0
89.04362	0.8
93.03459	1.1
95.05019	2.3
97.02963	5.5
98.22548	0.9
99.04491	1.0
101.66876	0.7
106.45482	0.8
109.02959	21.7
114.01986	4.5
115.00376	19.2
115.01170	0.5
119.05045	0.9
121.02959	2.6
123.04527	12.6
125.02450	13.5
126.01373	0.8
130.06601	1.9
132.03029	65.1
132.90837	0.9
135.00253	0.8
135.04546	1.6
137.02455	6.8
138.03105	1.1
139.03976	3.1
143.10709	0.9
145.02908	0.9
146.06140	6.2
149.02425	3.4
150.03197	0.8
151.04016	7.1
156.04553	8.8
159.04495	2.4
160.05325	1.2
161.06058	2.6
162.03175	1.2
164.01108	1.7
165.01897	2.5
167.03474	1.3
171.10327	1.0
173.05887	1.3
173.07191	12.9
174.05606	15.0
175.03973	1.3
175.07626	1.3
179.03500	4.7
187.03954	2.7
188.04796	2.5
202.06317	2.0
203.07152	7.7
205.05016	5.1
217.08885	0.9
221.08234	3.2
245.07950	14.5
249.19525	0.8
271.07254	1.1
289.07681	62.5
289.16617	3.8
290.07962	4.8
310.69977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89863	2.3
59.01364	3.6
69.03445	4.0
70.45454	5.3
83.01370	7.0
87.16856	2.7
98.22603	3.4
111.08099	2.8
119.96169	2.6
135.04526	3.2
163.11246	4.2
165.12837	5.0
177.36159	2.3
183.10313	3.7
191.10675	2.7
209.11864	25.0
229.08646	8.4
253.10814	100.0
285.20828	3.6
289.03156	5.7
289.08481	65.7
289.17969	17.3
289.21658	12.4
290.08813	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	289.1811
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
50.80295	0.2
56.35723	0.2
57.03446	4.1
59.03829	0.2
61.77708	0.2
61.98831	0.2
69.03440	0.6
69.69794	0.8
83.05017	0.5
83.11379	0.2
83.62694	0.2
97.06580	0.3
100.89735	0.2
102.59181	0.2
125.09745	0.3
137.09729	1.0
168.35326	0.3
175.14919	1.1
217.15973	0.3
227.18063	0.7
229.16034	1.2
245.19107	14.0
246.19412	0.8
289.18088	100.0
290.18417	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	289.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
59.01381	5.1
61.98838	9.7
66.63132	3.0
70.91924	3.6
78.19926	3.4
84.42976	3.0
95.94320	3.6
97.06561	4.1
107.24467	3.6
119.08659	47.1
125.09703	11.2
137.09718	4.5
160.84210	4.7
171.03380	3.5
185.11803	7.3
193.12367	7.1
211.13370	6.7
233.26778	3.5
245.19225	4.5
271.16745	3.9
289.18082	100.0
290.18417	5.1
304.52444	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	289.1811
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.53009	0.9
55.31396	1.0
57.03434	3.5
59.01370	5.3
61.98820	2.4
62.50372	1.1
69.54662	4.6
79.79430	1.0
81.03470	1.2
83.05019	2.6
107.08669	21.3
119.08651	5.9
135.08182	2.6
137.09714	11.4
151.11214	2.5
154.82968	1.1
163.11282	1.3
191.14423	1.4
197.11829	3.6
245.19023	8.0
271.17041	1.7
289.03741	1.3
289.18085	100.0
290.18356	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	289.2173
Annotation	AC1OCUWS
Peak:m/z	Relative Intensity
54.34492	1.1
59.01386	1.5
60.28555	1.2
69.63593	2.3
69.63975	2.6
76.69357	1.4
84.02168	35.3
89.53965	1.2
95.05026	2.6
98.21922	2.7
99.08725	1.2
101.89162	1.3
114.51967	1.1
170.51791	1.2
173.72733	1.0
202.67970	1.1
231.17590	1.4
261.22247	3.3
271.20676	35.0
272.21051	2.1
289.18283	5.8
289.21707	100.0
290.22107	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	289.2175
Annotation	(Z)-5-(trideca-4-enyl)resorcinol
Peak:m/z	Relative Intensity
51.22241	0.2
59.01376	0.3
61.98834	0.4
69.03416	0.3
70.68929	0.4
72.90899	0.3
115.65310	0.3
134.02475	0.4
137.04396	0.3
145.18570	0.2
202.01405	0.2
205.12328	0.6
245.19093	0.4
261.78119	0.2
289.21716	100.0
290.22079	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82533	0.9
55.03486	1.1
59.01376	5.1
61.11050	1.0
69.16151	5.5
71.01376	2.3
72.99308	1.5
73.02950	46.8
78.95907	96.1
80.91676	3.2
85.02974	1.2
88.04035	1.5
89.02426	2.1
92.92805	2.2
94.92514	4.3
96.96961	2.3
99.00894	5.7
99.92580	1.2
100.93378	1.3
108.90194	3.2
110.89934	9.1
110.98537	100.0
111.00874	2.5
115.92025	1.3
116.92860	23.2
117.01942	99.1
118.02267	1.6
119.05074	1.5
132.94643	2.6
133.01421	2.0
136.98785	7.4
139.00047	1.0
142.99774	2.3
150.94765	1.8
159.06613	4.1
166.97534	1.7
172.99464	1.6
177.07324	1.0
192.95633	12.5
214.92889	1.2
214.98691	1.4
216.97510	1.1
231.04829	1.6
234.98045	1.0
290.90823	1.1
290.94525	1.6
291.09912	1.2
291.16919	2.3
292.07819	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	291.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63387	0.3
57.96347	0.3
59.01376	0.4
69.70502	1.0
78.23194	0.3
78.95904	99.2
80.91723	0.3
86.10773	0.4
86.71064	0.3
90.55859	0.4
108.57750	0.4
110.89920	1.1
110.98532	100.0
111.98853	0.4
130.93082	0.4
172.99344	0.4
192.48418	0.4
197.81357	0.3
241.26665	0.3
242.07945	0.8
243.99207	0.4
248.14685	0.3
254.78940	0.3
313.96048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51574	0.3
59.01377	0.6
59.87901	0.3
63.73414	0.3
70.24933	0.5
79.95739	4.9
80.96517	100.0
81.03456	0.4
81.96453	0.3
82.96090	2.1
82.96927	0.4
107.23398	0.3
145.08673	0.4
169.07382	0.3
172.99153	0.7
188.01476	0.4
255.87279	0.3
291.09106	54.6
292.09460	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	291.091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03796	0.1
53.79661	0.1
59.01373	0.3
59.96703	0.2
60.97491	0.3
69.67597	0.4
74.99070	1.1
81.91916	0.1
93.00144	0.5
98.21850	0.2
104.89712	0.1
121.02897	0.2
122.92992	0.1
134.99417	0.2
136.97275	0.2
149.00955	2.5
161.06413	1.1
162.41800	0.1
192.98126	1.5
206.99724	0.5
209.01276	4.6
209.04347	0.2
210.01384	0.4
217.07233	1.8
223.02998	0.2
225.00755	0.5
235.02769	0.2
247.20575	0.2
275.06018	0.6
280.38629	0.1
289.07523	2.7
291.09097	100.0
291.19592	3.1
292.09210	8.9
309.10236	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.62967	1.5
69.20193	9.7
71.01388	4.3
71.68555	1.4
82.93898	1.6
83.01389	1.8
85.02985	2.9
91.87043	1.5
93.10085	1.4
101.02403	8.3
107.46065	1.7
130.14749	1.4
148.21364	1.5
161.04514	2.7
203.14415	5.5
209.02220	1.5
217.10686	2.3
229.28658	1.5
247.13390	4.0
249.13438	9.4
256.00571	2.0
291.12180	3.4
291.19656	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	291.1715
Annotation	Decanoyl m-Nitroaniline
Peak:m/z	Relative Intensity
58.02953	0.6
59.01360	1.1
59.94041	0.3
65.88556	0.3
66.76800	0.3
69.29595	1.9
77.54493	0.3
79.27767	0.3
81.11916	0.3
83.06146	0.3
93.03433	1.7
103.71130	0.4
112.07616	0.4
117.03458	2.1
118.04259	1.9
118.96113	0.3
119.05022	31.2
120.05348	0.8
121.02939	1.4
129.10324	2.7
132.05811	6.8
133.06219	0.4
134.03778	0.4
137.99557	0.3
145.02959	4.7
145.06613	0.9
147.04497	1.2
147.06944	0.4
149.06056	0.6
155.11940	0.8
160.04031	0.6
162.05632	0.4
174.05582	1.4
176.03496	1.3
177.04343	2.1
177.09189	0.9
188.07169	1.6
190.12386	0.9
191.11908	0.9
192.06641	2.3
218.08223	0.6
219.14922	0.8
220.09796	1.0
231.11432	0.7
232.09843	0.6
233.12924	6.4
235.14571	0.5
249.16005	0.4
291.17130	100.0
291.88165	0.5
292.17502	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	291.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
71.01407	0.4
80.02686	0.5
81.54066	0.3
97.06592	0.4
98.21691	0.3
100.09213	0.3
102.64828	0.3
119.05067	0.4
122.77292	0.3
125.06067	0.5
132.92516	0.3
139.73091	0.3
141.09219	0.3
148.08968	1.3
150.10522	1.0
151.11295	0.7
163.11285	1.2
165.12846	21.8
166.13184	0.9
175.11298	0.6
176.12038	0.5
177.12860	0.5
179.14404	0.4
191.14368	0.5
217.15895	0.6
229.82251	0.3
245.19208	0.3
247.20660	11.1
248.21077	0.8
273.18607	6.5
274.19061	0.5
291.19666	100.0
292.20020	8.2
292.22620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
65.73830	0.6
67.85369	0.7
93.07122	1.4
97.06609	2.0
98.93800	0.7
121.10229	14.2
123.08154	1.0
125.09731	7.4
127.03124	0.9
141.12874	1.9
183.11642	0.7
185.11823	15.1
197.11768	3.9
209.11823	1.5
211.13414	2.1
212.33319	0.9
223.13315	0.9
247.20673	1.1
273.18359	1.0
291.19669	100.0
292.19989	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	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02046	0.4
59.01366	0.7
69.85551	0.6
69.85905	1.4
96.69412	0.5
106.04243	0.5
106.04910	0.5
106.97427	0.4
109.06570	0.6
148.08931	1.6
151.11240	1.3
153.12830	1.1
163.11360	0.4
165.12845	0.8
175.11324	0.9
177.12831	1.2
193.16013	0.6
195.75476	0.4
203.14392	0.8
215.91800	0.4
223.13461	0.7
237.14922	0.7
247.16991	4.2
247.20679	6.7
248.21071	0.4
273.18619	1.4
291.19659	100.0
292.20038	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	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71061	0.7
57.03448	1.1
59.01371	2.7
60.43511	0.6
69.85596	1.3
69.85955	1.2
71.05019	22.5
82.02545	0.6
83.05023	1.1
86.57904	0.6
97.06580	6.5
111.08199	0.7
137.09689	1.0
138.27139	0.6
151.11305	1.1
152.07402	0.6
163.11301	0.9
165.12842	1.1
171.90230	0.6
181.12361	0.9
189.12962	0.7
207.13924	2.6
217.15889	0.6
219.13861	3.0
235.17056	2.6
237.03946	0.6
247.20776	3.2
273.18524	1.6
291.19669	100.0
292.20010	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98055	0.7
57.03440	1.5
59.01385	0.9
69.81526	2.3
93.07059	0.8
107.08665	7.2
107.61634	0.8
108.43282	0.7
121.10237	7.2
123.08161	0.8
125.09742	4.5
139.11304	3.6
146.12581	0.7
176.54666	0.8
183.10277	1.3
185.11865	6.4
197.11800	2.0
199.13411	3.8
211.13322	1.0
223.13426	0.9
247.20729	1.9
273.18661	1.4
291.19659	100.0
292.20026	7.8
296.72485	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61810	0.2
57.03425	0.5
59.01363	1.3
69.03441	0.6
69.78915	0.3
69.79259	0.8
71.05022	0.8
88.32497	0.3
96.96010	0.4
107.18555	0.3
107.56853	0.3
119.08661	1.9
121.02918	0.7
121.10271	0.6
123.74664	0.3
125.09713	0.5
125.87254	0.3
128.17741	0.3
135.11795	0.3
139.70508	0.3
171.10286	2.1
185.11778	0.9
204.56493	0.3
209.04485	0.3
229.19405	0.7
231.17615	0.5
247.20680	6.3
248.21101	0.5
273.18591	3.0
291.19653	100.0
292.20016	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	291.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95188	0.7
57.03428	1.9
59.01378	3.5
69.31374	2.7
71.05025	0.9
77.93519	0.7
81.35378	0.6
89.55129	0.6
97.06549	0.9
111.08159	4.8
114.97205	0.6
121.02940	1.2
121.10236	8.9
123.08186	0.7
125.09739	4.0
162.83980	0.8
163.11322	0.8
166.25365	0.6
167.10722	1.2
177.12808	1.4
185.11842	8.2
195.13881	2.2
197.11824	2.6
211.13507	0.8
216.49896	0.7
223.13292	0.8
247.20651	1.8
273.18579	2.4
291.09024	1.8
291.19653	100.0
292.20007	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	292.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93244	11.8
59.01383	100.0
60.26609	14.5
70.20615	13.5
70.20918	18.7
71.01398	45.4
78.95896	60.8
85.02968	26.9
87.00861	14.4
88.04060	16.6
89.02421	16.5
96.96045	15.4
101.02435	36.4
101.44440	12.4
111.00856	23.3
111.22363	12.6
113.02441	34.3
119.05028	26.3
130.08690	17.7
130.94223	12.7
133.02954	20.1
135.04504	36.1
136.94000	52.5
136.94958	15.3
139.00327	18.3
143.01962	26.9
144.11525	19.5
150.98885	15.6
151.00090	26.3
152.91759	44.3
157.10298	14.2
161.02406	17.0
161.04512	23.9
163.04135	15.6
168.99869	19.4
171.94638	16.5
175.02620	13.4
179.03453	15.9
190.02180	16.8
191.03520	22.1
194.92848	54.4
194.95552	22.0
204.97589	22.2
212.98996	21.1
218.10330	13.0
219.02977	98.4
231.93680	20.9
231.96852	19.6
232.03242	59.0
232.05573	16.0
248.95978	28.3
266.97760	25.5
292.08237	18.1
292.16809	51.8
292.95572	38.4
293.03085	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.7
62.23829	0.6
62.46747	0.6
65.00324	1.4
67.01882	3.2
69.38718	2.4
69.39124	0.9
70.20203	0.6
71.01372	1.1
75.43450	0.6
78.95895	3.8
82.99876	0.8
85.02951	13.6
87.00881	0.9
96.79725	0.7
96.96025	1.6
96.96907	0.8
98.21868	1.2
98.88496	0.6
111.00882	100.0
112.01191	1.7
112.98536	1.0
127.35651	0.8
129.01958	8.8
131.01555	1.3
131.66324	0.7
132.99043	3.4
136.98770	1.0
143.02031	1.7
151.00128	97.0
152.00452	1.8
166.97520	11.7
168.99940	2.6
173.00906	3.4
176.98067	11.2
194.99117	52.6
204.97641	1.2
210.96490	6.1
212.98956	1.5
216.97112	1.0
226.66255	0.8
232.94719	5.6
240.99666	0.8
242.08102	0.8
248.98117	5.7
260.87952	0.6
266.97769	1.6
274.88174	0.8
274.94455	0.9
292.95639	2.9
293.06833	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0304
Annotation	Tricrozarin A
Peak:m/z	Relative Intensity
59.01367	3.1
68.99818	4.1
70.31317	1.1
70.31641	2.0
71.09676	1.1
72.99312	2.9
84.06960	1.0
84.99318	1.3
85.06065	1.1
87.00877	15.9
89.82182	1.0
96.99302	2.5
107.05025	2.0
109.02947	26.9
111.00878	2.4
112.98807	14.2
115.05492	1.1
121.02956	3.4
121.63579	1.1
127.00344	2.2
130.99869	4.3
131.05060	1.3
132.03101	1.4
133.02974	15.9
133.29654	1.1
134.03683	1.5
135.04530	47.6
136.04927	1.8
137.02448	13.8
139.00378	21.8
139.04012	1.2
145.02977	4.3
147.04529	3.4
149.02403	2.2
149.06102	1.3
151.04021	3.1
154.99908	1.3
159.04535	7.1
161.02454	41.6
163.04008	40.0
173.02414	7.1
175.04063	1.7
177.05630	5.4
178.95644	1.0
179.03522	11.9
187.03992	4.9
189.01903	1.2
191.03497	28.3
203.03592	1.5
205.05052	2.4
219.02977	100.0
220.03365	3.4
221.04475	1.9
231.02960	14.4
249.04140	1.3
275.02008	5.8
293.03033	63.0
294.03333	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0305
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15608	0.8
59.01377	5.5
61.66850	0.8
68.99813	5.6
70.70790	1.7
71.01402	1.7
72.99309	2.9
83.67215	0.8
84.99315	1.2
85.02969	1.3
87.00880	14.8
88.47586	1.0
89.02390	0.8
92.57572	0.8
95.01398	1.4
96.99310	2.8
98.22463	1.1
101.02484	1.5
107.05045	1.5
108.02182	0.8
109.02959	26.2
110.03311	0.9
111.00885	2.7
112.98816	10.9
117.03432	0.9
119.04997	1.4
121.02977	2.7
123.04450	0.9
127.00372	2.3
130.04195	0.8
130.99857	2.5
131.05009	1.6
133.02965	16.0
134.03754	2.4
135.04529	49.8
136.04832	1.6
137.02460	13.1
139.00385	18.1
143.99188	0.8
145.02975	3.6
147.04538	4.3
149.02415	1.8
149.06061	1.7
151.03992	2.6
159.04491	5.8
161.01082	1.9
161.02441	43.5
163.04013	43.7
173.02454	5.9
175.03972	2.7
177.05583	5.8
179.03514	10.7
187.04024	6.1
189.02002	1.2
191.03505	30.8
192.03888	0.9
201.01955	1.3
203.03539	2.1
205.04991	2.5
207.60097	1.0
219.02988	100.0
220.03349	4.7
231.02979	19.4
275.02069	5.0
276.02286	1.0
293.03055	54.8
294.03418	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	63.8
71.01394	1.6
72.99319	3.0
75.00857	1.7
80.96514	9.5
82.96111	23.4
82.96936	3.6
87.00877	72.9
89.85758	1.6
96.96012	21.8
98.21888	3.6
105.01937	97.9
109.02962	10.7
112.98820	2.4
117.03468	19.4
119.05032	93.8
120.05347	3.6
121.02963	2.0
131.07103	2.2
133.02950	7.1
133.99004	1.6
135.04538	14.5
137.02463	4.0
139.00356	7.4
145.02959	95.5
146.03305	3.1
147.03001	100.0
148.03217	1.9
148.81390	1.5
159.04492	3.2
161.02440	11.6
163.04010	88.4
164.04285	2.8
173.02457	2.4
177.05493	1.7
179.03534	3.4
191.03491	10.9
199.70088	1.8
219.02983	41.7
231.03006	6.9
258.58563	1.5
275.02106	2.1
276.47348	1.7
293.03043	30.3
293.08929	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66817	0.4
55.83337	0.5
57.03450	18.0
59.01370	0.6
67.80186	0.5
70.76210	0.5
75.98292	0.5
80.56827	0.5
81.02995	1.0
81.03457	16.0
85.02911	0.6
93.03445	4.4
107.05034	4.9
109.06593	100.0
110.06937	1.9
111.04517	1.5
111.08152	4.4
123.08159	2.3
125.02460	2.0
133.06647	0.7
135.04488	0.9
137.02425	0.6
151.07675	2.3
161.09660	0.8
187.11304	0.6
192.79288	0.6
205.12317	1.8
249.11310	42.2
250.11749	2.6
293.10321	29.1
293.13251	0.8
293.17508	1.6
294.10617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1032
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
55.03096	0.5
56.05631	0.4
57.03447	21.3
59.01362	0.7
68.93826	0.4
69.03465	0.6
69.11876	0.4
69.16460	1.1
69.16865	1.5
81.03455	16.6
81.03939	0.8
93.03450	4.5
95.05013	0.6
97.06568	0.8
107.05026	5.6
109.06588	100.0
110.06934	2.2
111.04530	1.4
111.08157	4.5
123.08179	3.0
125.02444	2.1
135.04587	0.7
137.02492	0.6
151.07664	2.3
161.09772	0.9
163.11354	0.7
163.86990	0.5
184.07083	0.5
187.11308	1.0
205.12378	2.3
249.11313	42.4
250.11690	1.9
293.10333	30.3
293.17511	1.7
294.10757	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	293.1032
Annotation	3alpha-Hydroxy-11beta,13-dihydrodeoxymikanolide
Peak:m/z	Relative Intensity
50.60578	1.7
54.87845	2.3
57.03448	3.6
59.01371	7.3
69.03424	3.2
71.01382	4.5
73.02947	3.6
74.42718	1.8
79.05531	2.7
83.05006	3.0
85.02947	6.9
93.03439	3.1
95.01405	2.3
95.05044	10.6
96.96008	2.7
97.02943	14.1
101.02467	4.4
105.07140	2.9
107.05004	6.2
109.02943	15.9
109.06576	12.3
111.04518	21.3
111.08153	5.3
113.02448	4.2
119.05009	2.3
121.02956	2.5
121.06578	7.0
122.02890	3.7
122.03737	60.2
123.04562	4.9
124.05307	29.6
125.06079	6.9
135.04514	16.1
135.08168	5.1
136.05295	6.7
137.06087	26.8
138.06885	16.3
139.07651	100.0
145.06609	3.3
145.10208	5.3
147.08167	4.8
149.06064	2.8
157.06642	2.2
161.02475	2.5
161.04512	2.6
163.03992	4.0
163.07620	5.0
163.11310	7.2
171.08153	13.9
172.08887	2.4
175.07645	2.7
177.12791	4.8
182.05785	4.6
185.09735	4.4
187.11282	72.2
188.11543	2.8
189.09218	8.2
190.09926	12.1
191.03375	2.3
203.10678	2.9
205.12332	44.7
219.02951	7.8
231.10297	15.7
240.26280	2.2
249.11320	30.0
250.11671	2.6
279.74667	2.0
293.03180	4.4
293.10324	61.6
293.13260	3.4
294.10507	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	293.1395
Annotation	Oidiolactone E
Peak:m/z	Relative Intensity
51.66226	1.0
59.01372	4.8
69.03436	3.2
70.82178	1.2
80.02676	8.5
81.03435	1.7
93.03460	2.5
95.05032	11.7
96.96001	2.3
106.04219	3.6
107.05021	6.1
109.02958	2.0
109.06580	3.8
112.98804	1.7
121.06664	1.2
123.08102	3.3
135.04553	3.6
135.08162	9.6
139.00409	2.2
150.08894	1.0
161.02420	2.7
161.09663	11.6
163.04007	3.0
175.11327	1.5
177.12842	34.4
186.33075	1.4
187.14867	1.5
189.12834	4.7
191.03564	2.3
203.14430	5.1
205.15967	80.1
206.16313	4.8
219.02963	7.9
231.02980	1.7
231.13858	4.6
249.14941	71.9
250.15276	3.7
293.03040	5.6
293.13950	100.0
294.14340	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	293.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47853	2.1
51.86632	2.4
59.01371	7.9
61.98833	5.7
63.75463	2.4
67.42034	2.3
78.95908	3.3
84.99162	2.4
107.05016	2.9
109.02940	3.0
120.05300	2.9
121.02985	3.4
130.08742	5.5
134.03735	18.2
135.04533	15.2
148.04269	2.6
148.05328	9.4
149.06078	22.9
150.06311	2.4
152.91751	9.2
160.05391	2.9
161.06052	2.6
166.91037	2.7
175.02724	3.3
176.03528	10.0
178.05106	21.6
194.92831	6.0
204.06635	20.1
219.02983	3.9
232.87383	2.4
234.07758	8.8
277.11938	56.0
278.12689	24.2
293.15079	100.0
293.17554	3.8
294.15372	3.9
297.25879	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	293.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22008	1.3
59.01376	21.6
61.98819	2.6
68.99815	3.0
69.61714	4.3
71.01411	6.0
72.98407	1.2
82.36303	1.2
85.02955	2.5
85.06585	3.1
87.00880	4.4
88.14096	1.2
89.02440	6.0
90.48833	1.3
101.02446	4.8
101.78947	1.2
107.05050	2.6
109.02948	6.4
112.98843	3.4
113.02453	2.7
113.06097	1.6
119.03471	2.1
119.04996	1.4
121.02969	1.3
130.08733	1.7
131.07161	12.8
133.02942	3.6
134.03746	20.0
135.04530	21.1
137.02458	3.2
139.00386	5.4
141.52176	1.3
145.02950	1.5
146.04611	1.4
147.04446	1.4
148.00410	2.6
148.05312	12.1
149.06082	25.5
150.06406	1.8
152.91742	3.1
161.02477	10.9
161.04559	1.9
161.06003	2.8
162.03078	1.5
163.02789	2.3
163.03961	10.0
175.02708	3.3
176.03517	11.8
178.05101	29.2
179.03468	2.8
190.05133	3.4
191.03461	4.7
191.57306	1.8
194.92827	3.0
196.65112	1.4
204.06648	22.1
219.02969	23.1
231.03076	3.3
232.87601	1.3
234.07692	10.8
235.08318	1.4
264.01813	1.4
264.05127	1.5
277.11932	55.9
277.14975	2.8
278.12653	25.4
279.13162	2.4
292.28247	1.4
293.03070	15.1
293.12332	14.6
293.15115	100.0
294.06311	5.2
294.12546	1.4
294.15439	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1508
Annotation	Tyrosylleucine
Peak:m/z	Relative Intensity
51.04706	0.5
59.01376	1.8
70.67155	0.6
71.01379	0.7
75.40405	0.6
78.95893	1.9
81.95335	0.5
86.67136	0.6
89.02462	0.6
107.05004	1.3
108.02226	0.6
128.03598	0.6
133.02979	1.4
134.03741	22.3
135.04539	11.0
147.04469	0.9
148.05304	11.9
149.06081	24.9
150.06442	1.3
152.91786	1.8
160.05315	1.6
161.02444	1.9
161.06102	2.7
162.03175	1.2
162.05585	0.6
162.06866	0.8
175.02747	3.7
176.03546	12.2
177.04022	1.0
178.05093	27.5
179.05441	1.2
190.05136	2.6
194.92548	2.8
204.06651	20.6
204.08513	1.2
205.07143	1.1
219.03011	1.4
232.88348	1.0
234.07706	11.5
250.88548	0.6
261.12460	0.9
262.10748	0.6
277.11920	55.0
278.12674	28.8
279.12909	1.5
293.15063	100.0
294.15378	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	293.1758
Annotation	Nordihydrocapsiate
Peak:m/z	Relative Intensity
50.12478	0.7
58.63613	0.7
59.01380	4.3
61.28477	0.6
71.01387	7.7
75.72733	0.6
78.97702	0.7
81.76756	0.6
85.25969	0.6
122.92714	0.6
148.05298	1.1
164.08388	0.9
177.09190	3.8
192.11546	6.1
193.12051	0.7
205.12372	5.3
218.09392	1.6
220.12459	1.5
220.14671	46.7
221.15450	100.0
221.63983	0.7
222.15860	5.5
233.10393	1.5
236.10533	65.1
237.10844	4.8
293.17560	9.8
294.17780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1759
Annotation	Discosiolide
Peak:m/z	Relative Intensity
59.01373	1.0
61.98823	1.7
70.90121	1.7
76.28177	0.9
111.92953	1.7
194.92836	1.1
209.26601	1.0
249.18591	96.0
250.18832	4.4
293.17593	100.0
294.18057	6.1
311.18616	9.1
312.27045	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53518	0.2
59.01369	0.3
71.31883	0.3
79.95717	0.3
87.00891	0.5
93.59183	0.2
95.01386	0.9
96.02177	5.7
96.96011	7.6
97.28921	0.2
101.00694	0.2
111.00872	0.9
123.00877	2.5
124.01665	9.8
139.00352	0.3
146.87869	0.2
151.00345	0.3
152.01154	8.2
153.01784	0.4
161.02480	0.4
165.01941	1.1
166.02672	1.7
184.00119	0.9
193.01692	0.2
193.15918	0.3
195.17522	0.6
205.12297	0.3
219.02972	0.4
220.14659	1.0
221.15457	1.5
221.18967	0.3
236.10524	2.1
240.63029	0.3
242.11374	0.2
265.15219	0.3
265.18082	6.6
265.20599	0.2
266.18417	0.3
293.17603	100.0
294.17932	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	293.1762
Annotation	Embelin
Peak:m/z	Relative Intensity
53.31801	0.3
59.01358	0.3
62.94838	0.3
63.80990	0.3
69.49347	0.6
69.49732	0.7
76.41808	0.3
79.67323	0.3
79.95753	0.4
90.87324	0.3
93.60212	0.3
95.01395	0.9
96.02171	6.1
96.96014	16.2
104.29076	0.3
111.00867	0.5
116.44317	0.3
123.00885	2.2
124.01671	9.5
151.00333	0.4
151.99944	0.5
152.01166	9.0
153.01848	0.3
165.01939	1.2
166.02747	1.9
176.96570	0.3
184.00052	0.4
193.15947	0.4
195.17566	0.6
220.14691	0.6
221.15471	1.7
229.56239	0.3
234.63986	0.3
236.10573	1.3
265.18069	6.5
293.17624	100.0
294.17926	5.8
300.47433	0.3
314.96597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2123
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
51.53672	0.8
57.35524	0.8
59.01371	1.6
69.85219	2.8
87.11973	0.9
98.22592	0.9
111.08144	1.3
124.54172	0.8
134.83377	0.8
148.37108	0.8
179.14369	1.4
195.13911	13.9
196.14607	2.6
205.12312	0.9
220.14740	1.8
221.15416	1.7
223.13351	10.2
224.14180	2.0
236.10385	1.1
256.12991	4.6
262.37607	1.0
275.20187	11.1
276.20328	0.9
293.21222	100.0
294.21588	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.3
59.01368	2.4
70.99851	0.7
71.01396	0.8
83.05054	0.8
85.71553	0.7
94.46680	0.6
96.95994	1.5
109.06573	0.9
113.09727	10.2
123.00850	0.7
124.01676	1.6
137.09676	2.1
139.11293	1.4
152.01108	1.2
153.12828	0.9
166.02637	0.6
167.10706	0.9
177.09158	0.8
177.12868	0.6
179.10719	1.5
183.13895	3.0
192.11580	1.3
193.15935	0.9
195.13904	2.4
196.14328	0.6
199.13443	0.9
202.20731	0.5
205.12389	0.8
211.13358	0.8
220.14650	5.2
221.15445	11.4
222.15854	0.6
223.13420	1.3
236.10542	7.4
237.10861	0.7
249.22226	2.2
256.20337	0.6
258.50781	0.6
265.18024	0.6
275.20087	2.2
293.08899	2.6
293.17667	12.7
293.21179	100.0
294.18192	0.8
294.21478	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	293.2122
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
59.01370	5.1
69.83962	5.2
79.63313	1.5
97.06600	1.7
99.03648	1.7
99.04467	1.4
111.28807	1.4
121.10229	43.1
121.11076	2.9
122.10546	2.4
125.09663	2.0
127.11211	2.0
143.81329	1.5
165.77946	1.5
171.10271	75.8
183.13890	4.5
185.11877	4.3
231.21196	4.7
235.17076	2.5
275.20157	100.0
276.20520	4.4
293.21231	73.4
294.21548	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	4.6
59.01368	1.8
60.41285	0.4
70.05500	0.5
70.76284	0.7
71.01382	0.5
88.95681	0.5
97.06589	1.1
98.22643	0.6
99.45068	0.5
113.09732	16.9
121.10157	0.7
124.01564	0.6
125.09734	0.5
139.11330	2.3
141.09187	0.5
167.10767	1.9
171.10234	1.2
177.12752	0.8
179.10786	1.5
195.13893	2.4
220.14647	0.8
221.15430	1.7
224.45186	0.4
236.10504	0.6
249.22282	1.6
271.69131	0.5
275.20230	2.2
293.21225	100.0
294.21545	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24666	0.5
55.80052	0.6
57.03436	1.1
57.42350	0.6
62.62993	0.5
69.12251	3.5
97.06604	1.4
98.21880	1.2
116.41962	0.5
119.51425	0.5
123.08187	1.2
125.09721	4.3
131.17969	0.6
141.12869	1.9
149.09737	1.1
185.11839	12.2
197.11803	3.5
237.46291	0.5
237.79628	0.5
249.22075	1.3
293.21231	100.0
294.21564	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55684	1.1
59.01379	1.4
61.98824	4.6
70.65963	1.4
71.01403	1.9
80.50880	1.1
95.64340	1.2
96.02177	1.4
96.96030	2.1
97.06626	1.6
119.89281	1.2
124.01646	1.6
125.09698	3.0
136.08913	1.5
149.09775	1.7
152.01131	2.2
185.11882	8.4
192.11647	3.0
193.15932	2.4
194.92876	1.3
197.11754	3.1
205.12329	1.8
209.35831	1.2
220.14722	9.6
221.15479	24.0
225.10365	1.1
236.10542	15.2
237.10876	1.2
249.18649	1.9
275.20117	2.6
293.17651	25.9
293.21213	100.0
294.18460	1.3
294.21600	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02471	0.6
57.03442	1.2
59.01369	2.2
61.98824	1.1
63.62756	0.6
66.39977	0.5
69.60822	1.5
71.01366	0.8
101.36793	0.6
121.10213	0.7
123.08146	0.9
125.09718	0.8
136.08943	1.0
139.11298	1.5
151.11287	2.3
153.09319	0.7
156.55754	0.6
169.12347	1.7
171.10236	1.2
175.27470	0.6
192.11546	1.6
193.15938	1.6
197.11832	25.3
198.12111	1.3
205.12357	0.7
213.14990	0.6
219.30237	0.6
220.14662	3.0
221.15442	7.5
231.21120	1.4
233.38190	0.6
236.10555	5.7
275.20139	18.8
276.20584	1.2
293.21210	100.0
294.17169	2.3
294.21548	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	2.3
61.98815	6.4
63.37394	2.1
65.51553	2.3
71.01369	3.6
76.61945	2.1
88.92359	2.4
92.92780	3.2
96.95999	3.7
119.94756	2.7
121.10213	15.1
129.05571	6.6
131.61406	2.4
148.61989	2.1
156.54716	2.4
165.01820	2.3
171.10266	23.7
192.11520	3.7
193.16000	3.9
195.13892	5.0
205.12379	3.6
220.14696	15.8
221.15428	36.9
223.13309	4.1
228.75404	2.8
231.21100	2.8
236.10518	30.9
275.20215	38.3
276.20386	4.6
291.23267	4.9
292.98969	5.5
293.17587	24.4
293.21167	100.0
293.24655	5.4
294.18176	2.7
294.21591	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	293.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91023	0.5
59.01381	0.5
61.98819	1.5
71.00228	0.6
71.01380	0.9
83.77799	0.5
92.21542	0.6
96.95977	1.4
151.11310	0.8
153.91820	0.5
177.12831	3.6
178.13611	0.6
193.15950	1.7
194.92787	0.8
198.33522	0.5
205.12262	0.6
213.74452	0.7
213.91214	0.6
220.14664	3.1
221.15468	7.9
236.10510	6.0
249.22209	3.3
273.09360	0.5
275.20117	1.7
293.12094	3.6
293.17764	7.8
293.21188	100.0
294.18268	0.9
294.21503	6.8
301.27292	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76471	1.2
59.01370	4.2
61.98841	1.4
67.35938	1.0
69.40387	2.6
69.40783	3.0
71.01371	2.6
81.42699	0.9
87.61294	1.1
98.21952	2.4
99.08162	1.7
122.39538	1.0
136.94463	1.1
177.16570	1.1
191.14424	1.4
192.11606	2.2
193.16025	3.8
205.12349	1.4
209.15463	100.0
210.15819	4.6
220.14633	6.0
221.15468	12.0
231.21198	3.0
236.10504	10.4
275.20160	69.4
275.31018	1.3
276.20529	4.0
283.60104	1.0
293.17593	10.3
293.21152	92.2
294.21439	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	293.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.5
59.42549	0.5
61.98823	0.8
67.52060	0.6
68.58067	0.6
69.84172	1.6
71.01366	0.9
72.99314	0.8
83.05010	0.6
86.32999	0.5
96.96014	0.9
97.06554	0.6
98.58775	0.6
107.88284	0.6
113.09705	0.7
123.00889	0.6
124.01669	0.8
128.62596	0.6
135.04497	0.9
139.11293	3.3
152.01132	1.1
153.12833	1.8
161.02557	0.6
163.03879	0.7
163.28760	0.6
177.09229	0.7
191.18063	3.5
192.99872	0.6
193.16006	1.2
205.12338	0.8
219.02917	1.1
220.14709	6.1
221.15460	11.5
224.14093	0.9
236.10529	7.6
237.10994	0.6
238.92575	0.7
245.19043	0.8
247.20601	2.4
249.18515	0.9
261.83078	0.6
265.17883	0.6
293.02927	1.1
293.17712	12.0
293.21185	100.0
294.18216	0.8
294.21490	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	293.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69161	0.8
57.03437	2.2
57.27175	0.9
59.01371	4.8
61.98818	3.4
65.15542	0.8
69.51379	2.9
71.01366	2.4
71.05031	6.2
83.05045	0.9
92.92778	1.2
96.95974	1.8
119.94683	1.0
139.11348	1.4
152.91643	0.9
192.11470	1.8
193.15964	1.5
195.13864	1.1
205.12605	1.3
209.15393	1.7
211.01193	1.6
220.14684	6.3
221.15468	16.7
222.16119	0.9
223.17009	5.2
223.55463	0.9
231.21147	2.7
235.17021	33.1
236.10591	8.2
236.17352	2.0
237.10861	0.9
257.90170	1.3
275.20154	36.7
276.20520	1.4
291.07318	1.1
293.08884	56.2
293.17725	10.5
293.21191	100.0
294.09045	6.1
294.18149	1.8
294.21506	6.1
295.73380	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
57.03432	4.3
59.01369	4.2
61.28387	1.1
61.98820	5.1
69.83198	2.5
69.83564	2.0
71.01383	1.6
74.12833	1.1
92.92788	1.7
113.09727	18.9
139.11290	1.6
152.91771	2.2
167.10771	1.8
169.38933	1.2
175.46588	1.2
179.10803	2.4
192.11563	2.0
194.92896	2.1
195.13884	2.9
220.14677	10.4
221.15460	22.2
226.74628	1.2
236.10582	17.0
249.22324	2.7
259.96298	1.1
266.00363	1.4
293.17865	6.1
293.21222	100.0
294.21481	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	293.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.4
59.01378	5.1
61.98816	0.6
65.54074	0.3
69.69159	0.5
69.69536	1.0
71.01369	1.2
83.83182	0.3
96.95998	0.3
152.91809	0.5
163.11258	0.9
177.09233	0.7
191.14415	0.4
192.11594	1.5
205.12343	0.9
218.09459	0.4
220.14679	6.8
221.15454	16.3
222.15784	0.9
233.10368	0.5
233.19116	5.7
234.19426	0.6
235.13393	2.2
236.08141	0.6
236.10530	11.3
237.11017	0.6
247.20642	5.9
248.21030	0.5
249.14967	1.5
293.17734	9.2
293.21191	100.0
294.17926	1.0
294.21500	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	294.171
Annotation	Serratezomine B
Peak:m/z	Relative Intensity
58.11708	0.4
64.07806	0.3
68.85131	0.4
69.66452	1.0
69.66827	0.8
86.63471	0.4
88.96890	0.3
145.58685	0.4
174.04443	0.4
194.16277	0.4
197.11916	0.7
198.12152	0.9
219.13965	0.6
221.14983	0.5
222.15665	0.7
250.18092	4.5
276.20471	1.5
294.17096	100.0
294.21332	4.1
295.17432	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95951	0.7
59.01378	10.8
68.33898	0.6
70.80497	1.0
71.01369	1.1
72.99301	3.1
87.00879	13.9
103.00380	4.8
112.98820	6.0
119.05031	67.1
120.05339	2.3
130.99879	0.8
133.01454	1.5
134.03777	3.0
149.00920	40.6
149.06076	2.6
163.04008	100.0
164.04352	3.9
164.21489	0.6
224.18646	0.7
285.32187	0.7
295.04431	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.046
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
59.01377	18.3
67.03547	1.5
68.31991	1.8
69.23955	8.0
74.72712	1.4
81.46061	1.8
87.00878	9.3
90.59749	1.5
93.03420	1.8
98.21899	2.9
100.96857	1.4
103.00360	3.7
106.74490	1.4
112.98814	8.1
119.05026	56.9
163.04013	100.0
164.04301	2.6
198.32938	1.8
295.13116	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	295.0458
Annotation	Phaseolic acid
Peak:m/z	Relative Intensity
59.01374	1.0
70.53082	1.3
70.96365	0.6
71.01379	12.7
72.99306	2.9
87.00875	1.4
89.02438	2.2
92.16430	0.7
94.65153	0.6
106.48920	0.6
110.46665	0.6
112.98795	1.5
115.00372	38.3
119.05021	7.5
133.01431	100.0
134.01788	1.6
134.03757	1.4
135.04532	13.3
136.04846	1.0
141.75079	0.7
161.02563	0.6
163.04018	12.0
164.04424	0.7
166.30045	0.6
179.03482	10.6
179.04881	0.9
221.03656	0.7
224.25224	0.8
226.33791	0.6
295.03772	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0459
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
58.26077	0.7
59.01380	12.5
71.01391	4.0
71.48526	0.9
72.99308	7.5
74.96207	0.7
78.95908	1.4
80.60703	0.7
85.02979	0.9
87.00335	1.1
87.00876	21.4
88.54154	0.7
88.98818	1.3
89.02444	2.5
91.31165	0.7
96.96963	2.2
101.02477	0.8
103.00394	7.5
105.01946	1.5
111.00890	6.5
112.98806	4.6
115.00359	4.7
115.04024	1.3
116.07187	1.7
119.05026	79.0
120.05370	2.8
127.00141	0.9
127.36702	0.8
130.99857	1.7
133.01411	1.2
140.86908	0.8
149.00919	92.9
150.01257	1.6
151.00121	1.3
163.04010	100.0
164.04353	3.4
166.97543	4.4
193.96178	0.7
197.84499	0.7
202.22951	0.7
210.96530	2.6
312.80341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0458
Annotation	trans-coutaric acid
Peak:m/z	Relative Intensity
50.62385	0.5
51.69105	0.5
59.01383	7.7
79.95771	0.5
87.00875	7.8
89.03916	0.5
93.03476	0.8
103.00385	3.5
112.98815	8.1
117.03418	1.0
119.05031	53.4
120.05367	1.8
135.04491	0.9
149.00929	1.4
161.02553	0.6
163.04016	100.0
164.04312	3.2
176.80756	0.5
186.99214	2.0
189.00786	1.1
221.03627	0.6
221.76787	0.5
269.07047	0.7
295.06039	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	295.0612
Annotation	Aristolic acid
Peak:m/z	Relative Intensity
50.24102	0.2
50.48919	0.2
56.98226	0.2
57.53987	0.2
64.21797	0.2
65.00314	1.2
69.65211	0.8
74.41865	0.2
93.03460	2.2
98.22685	0.2
104.18879	0.2
107.01339	0.2
117.03471	0.8
119.05040	0.8
121.02937	0.5
131.05029	0.4
143.05000	1.5
145.02930	1.3
149.02403	0.3
156.02054	0.3
158.03738	0.6
161.02460	0.7
165.07123	0.4
167.05023	8.0
168.05557	0.3
173.02423	0.3
174.03241	0.5
175.04007	2.0
179.05009	0.4
180.05884	1.1
181.06630	2.1
182.07271	0.3
183.08154	1.8
185.06116	0.9
189.01872	0.2
191.05052	1.0
193.06607	1.4
194.07309	0.5
195.08124	1.5
197.06062	0.4
201.01935	1.9
204.05760	1.8
205.06540	2.7
206.07315	1.6
207.04541	0.9
207.08148	3.4
208.05273	1.3
209.06096	4.6
210.06508	0.3
219.04459	0.5
220.05266	0.7
221.06055	3.1
222.06833	1.2
223.07614	2.9
225.05515	0.5
226.52180	0.2
227.07172	0.8
232.05318	2.0
233.06082	5.1
234.03436	0.4
234.06494	0.5
235.03990	5.4
248.04805	1.9
249.05563	10.3
250.06233	1.7
251.07126	17.7
252.07460	1.0
253.05037	0.7
267.06641	0.8
276.04279	0.9
277.05051	9.9
278.05347	0.6
295.06113	100.0
296.06427	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	295.1187
Annotation	Amotin
Peak:m/z	Relative Intensity
52.29939	2.3
57.03449	11.6
59.01369	8.3
71.01379	3.0
85.02942	4.0
87.00897	3.7
95.05030	10.6
98.21774	6.4
109.06589	3.2
109.27952	2.7
111.04533	19.8
111.08160	5.3
111.79878	2.7
113.06094	3.0
119.05072	3.5
121.06609	6.9
121.10249	6.1
122.03742	2.9
123.08214	3.9
135.04497	6.1
137.06100	3.6
137.09708	6.7
139.07658	24.6
145.10245	3.8
149.09712	11.4
163.04007	9.1
163.11342	6.4
165.09171	8.4
171.11844	13.5
173.09721	4.2
183.75235	2.9
189.12848	100.0
190.13181	6.3
205.12282	5.2
207.13931	16.1
233.11853	12.9
248.11034	2.7
251.12918	56.3
251.16502	7.2
252.13211	3.5
254.23631	2.7
288.50360	3.6
295.07220	18.8
295.11880	22.2
295.15491	27.5
319.77100	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	295.1339
Annotation	Acerogenin C
Peak:m/z	Relative Intensity
59.01366	3.2
66.71119	1.2
70.12305	3.2
73.13619	1.0
78.23986	1.1
126.90536	1.7
149.66608	1.1
164.22389	1.1
174.37419	1.2
183.08025	1.2
209.15445	13.7
211.07594	2.2
222.12204	1.3
223.17078	4.0
236.08167	1.3
239.07072	10.2
245.19398	1.1
254.09346	1.6
261.09189	18.2
262.09796	2.2
263.10767	63.9
264.11032	3.4
277.21747	16.8
279.10284	12.0
280.11023	79.8
281.11398	6.5
295.13376	100.0
295.22693	27.8
296.13907	5.5
296.23285	1.6
300.37399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06584	0.6
59.01377	100.0
60.01714	0.5
64.74300	0.5
70.84530	0.5
71.01390	1.2
71.05273	0.6
83.01402	0.5
93.03481	0.8
101.02470	1.2
108.73718	0.5
112.69158	0.5
113.02504	0.6
113.70670	0.6
114.01970	1.0
123.08858	0.5
124.04048	0.6
137.02460	1.0
138.01981	0.8
150.02005	1.6
161.04625	0.7
164.03574	0.8
165.04343	1.3
180.06711	0.7
180.20724	0.5
219.07848	1.5
226.12494	0.5
235.11905	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	295.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
66.42666	0.8
69.77943	2.4
70.13580	0.7
71.01386	2.4
85.02923	1.1
101.02460	1.5
116.57612	0.9
119.05060	3.2
127.05122	0.9
133.01431	1.7
134.03743	50.4
135.04552	7.9
145.02898	1.1
148.05302	11.1
149.00955	1.4
149.06084	61.1
150.06419	2.2
163.04022	3.4
178.05106	3.1
190.05124	5.3
191.03847	0.7
220.06093	1.6
221.03645	0.9
235.11855	3.6
250.07210	1.1
279.09808	3.0
280.10571	1.6
283.68365	0.7
295.12973	23.0
296.13266	1.7
307.05042	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1551
Annotation	LL-Z1271beta
Peak:m/z	Relative Intensity
59.01380	22.4
59.71350	0.6
61.98787	0.9
62.07962	0.6
69.61942	1.9
102.49863	0.7
149.97238	0.7
158.66257	0.6
160.84753	0.6
217.12318	2.8
233.15466	100.0
234.15822	6.1
251.16455	1.3
258.52609	0.7
277.14441	1.8
280.91577	0.7
295.15521	46.3
296.15814	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	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
55.66113	0.1
59.01340	0.2
61.98787	0.2
65.17117	0.1
69.70186	0.4
83.04994	0.1
87.85495	0.1
97.06508	0.1
109.02898	0.2
109.06544	0.3
111.08136	0.1
113.64735	0.1
121.16660	0.1
122.89378	0.1
125.06002	0.1
135.04341	0.1
137.06108	0.7
138.05907	0.1
138.06857	1.8
139.07629	0.2
151.07605	1.4
155.10564	0.1
164.08362	0.7
165.09135	0.2
170.05844	2.9
171.10219	0.2
176.20168	0.1
221.15399	0.2
233.19090	1.2
237.73709	0.1
249.18582	0.4
251.05565	0.1
251.20163	3.4
252.20381	0.2
259.17007	0.3
276.36511	0.1
277.18063	64.8
278.18420	4.5
279.09067	0.3
295.19128	100.0
296.19461	7.1
318.17670	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	295.1914
Annotation	7-O-Demethyl-2,3-dihydro-albocycline
Peak:m/z	Relative Intensity
53.96794	0.8
56.08133	0.8
57.03444	2.0
59.01379	3.3
60.99298	1.0
61.98821	1.0
69.03438	1.0
69.51793	3.6
73.02907	1.3
76.44553	0.8
83.05033	1.4
87.04535	0.8
97.02959	0.8
109.06597	1.3
111.04507	1.4
111.08135	10.7
113.09718	1.9
123.08150	2.0
127.07647	3.2
137.09703	2.9
139.11252	2.0
141.09187	1.5
144.85144	0.9
151.07626	1.4
155.10776	1.1
157.08679	3.1
171.10265	1.1
178.02670	1.1
179.14436	3.1
183.10257	1.1
183.13821	4.0
185.08209	3.5
186.08986	5.0
187.09770	3.3
205.15945	1.0
233.19118	12.9
234.19583	1.2
249.18596	1.3
251.20157	3.9
277.18088	30.9
277.44687	1.0
278.18393	2.1
295.06366	1.5
295.09744	5.2
295.19144	100.0
295.22290	4.2
296.19571	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
57.03448	0.5
59.01371	0.9
71.01369	0.4
71.41486	0.3
73.27058	0.3
95.33443	0.3
125.09669	0.4
133.39017	0.3
141.12851	1.3
151.11276	0.6
153.09268	0.4
153.12917	0.6
162.09108	0.3
168.63710	0.3
169.12346	2.9
171.10275	0.6
183.54027	0.3
197.11853	2.4
204.68683	0.3
251.23705	0.5
277.21729	8.3
278.22086	0.6
283.07202	0.3
295.22769	100.0
296.23151	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.35526	0.7
56.78308	0.8
59.01373	2.2
61.98816	1.6
62.57785	0.7
83.05024	3.2
83.74471	0.7
85.06577	1.4
92.92758	0.8
94.92499	1.3
99.08167	2.2
111.04520	1.5
119.94719	0.9
124.35925	0.8
128.68318	0.8
129.05585	13.4
137.98483	0.7
171.10265	16.1
251.20151	3.7
272.15378	0.7
274.02899	0.9
277.18140	8.6
277.21725	27.7
278.22260	1.2
295.09689	2.2
295.19162	26.0
295.22757	100.0
296.19824	1.4
296.23062	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
57.40302	0.5
69.75146	1.0
97.06602	0.6
119.50819	0.4
123.08244	0.5
125.09705	4.3
141.12869	1.5
151.11287	1.9
251.23767	1.9
269.10632	0.5
287.42538	0.5
295.22775	100.0
296.23135	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
59.01366	0.5
70.07226	0.7
70.07558	0.8
91.72960	0.4
125.09692	0.6
128.25221	0.4
138.02000	0.4
141.12836	3.1
151.11282	1.4
153.09248	0.7
167.14429	0.6
168.51683	0.4
171.10278	0.5
185.40485	0.4
206.99078	0.4
214.24893	0.4
222.74458	0.4
251.23840	1.3
252.63237	0.5
277.21762	1.2
283.41553	0.4
295.22775	100.0
296.23135	6.4
314.38327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2277
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
57.03453	1.6
59.01383	1.5
66.33171	1.4
69.61650	2.0
69.61977	3.0
123.21503	1.3
125.09715	2.0
141.12845	1.5
166.15813	1.2
171.10280	49.7
277.21719	63.8
278.22046	3.5
295.22766	100.0
296.23080	4.2
305.81287	1.3
315.22186	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2278
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
59.01367	2.3
69.79896	1.4
69.80256	1.1
70.51292	0.6
75.31416	0.5
113.09723	2.3
116.91302	0.6
171.10178	0.6
177.12860	0.8
179.14398	0.8
194.87399	0.6
195.13913	24.0
196.14291	1.3
277.21725	25.4
278.22006	1.9
295.22778	100.0
296.23096	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	295.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90343	1.9
59.01363	6.3
61.98857	2.7
62.08773	1.8
67.47904	1.9
69.14642	14.3
77.91163	2.3
92.09875	2.0
195.13895	12.4
277.21658	13.8
294.19720	2.1
295.09763	5.3
295.22791	100.0
296.23166	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2279
Annotation	Moniliforminol A
Peak:m/z	Relative Intensity
59.01373	3.2
64.07962	0.8
74.35008	1.0
85.06612	0.9
89.00087	0.9
98.22681	2.1
183.57022	1.0
192.20329	1.0
196.80505	0.9
209.15465	58.7
210.15782	2.2
223.17084	10.4
253.42714	0.9
277.21722	82.1
278.22189	4.8
295.09842	2.2
295.22778	100.0
296.23059	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	295.2278
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
59.01375	5.7
59.13612	2.0
61.98829	3.5
69.07980	10.8
69.08397	3.4
96.96022	2.3
98.95580	6.3
98.96435	2.2
119.94617	2.4
121.99986	2.1
141.12854	8.8
152.62985	2.1
155.14400	3.1
236.41174	2.1
249.22241	8.3
267.88739	2.3
295.09860	4.6
295.17795	6.2
295.22766	100.0
296.23099	7.3
298.61902	2.3
311.81036	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	295.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69186	0.6
57.03439	3.0
59.01373	1.3
69.09543	1.2
69.09946	3.0
79.34505	0.7
82.84675	0.7
90.53633	0.7
100.57495	0.7
105.91022	0.7
125.09737	0.7
137.09723	1.2
139.07581	0.8
139.11253	1.4
155.14427	6.1
171.10260	10.8
183.10175	0.7
195.13937	3.1
227.47641	0.6
251.23828	1.9
261.57990	0.8
274.54553	0.8
277.21732	19.2
278.22034	0.9
295.22766	100.0
296.23102	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	295.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
68.54588	1.1
116.93005	1.0
125.23425	1.2
141.12901	1.6
195.13867	11.6
247.49939	1.1
277.21695	13.8
295.09848	1.9
295.22769	100.0
296.23166	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	296.0824
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
50.01759	0.2
59.01365	0.6
72.04556	0.2
85.42332	0.2
90.84277	0.2
92.02551	1.7
99.92574	3.0
106.44868	0.2
107.03635	5.4
107.82525	0.2
123.56395	0.2
133.01447	0.3
133.74434	0.2
134.04735	100.0
135.05237	1.3
135.12416	0.2
142.12404	1.7
168.10295	0.8
170.11876	1.0
172.51355	0.2
181.05141	0.3
184.87445	0.2
187.82166	0.2
208.99117	0.3
214.10817	2.6
296.08221	5.5
296.11536	0.4
297.03012	1.4
297.08768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.0928
Annotation	Norcularicine
Peak:m/z	Relative Intensity
59.01362	0.7
61.98796	0.5
71.43770	0.3
92.83238	0.4
119.05023	0.6
119.56262	0.3
120.04530	1.1
120.05370	0.9
147.03261	0.8
148.04065	1.9
158.02533	0.6
159.03239	0.6
160.04045	1.3
161.04636	0.4
164.04407	1.7
175.01225	0.4
175.02744	8.1
175.04182	0.7
176.03523	100.0
177.03838	4.0
189.04259	0.4
253.47366	0.3
296.09290	59.2
297.09613	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	296.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14309	1.3
58.54827	1.3
59.01380	49.8
61.68902	1.4
65.46426	1.6
71.01384	36.7
71.36535	1.7
72.01744	1.5
72.99299	2.2
73.02940	3.0
74.02495	2.0
75.00887	1.9
85.02944	10.8
87.00880	3.4
89.02448	48.3
90.60734	1.4
92.67818	1.6
101.02436	10.9
111.00893	4.6
112.01276	1.5
113.02453	10.5
115.00349	6.9
116.00697	3.1
116.03539	8.0
116.07179	100.0
117.01920	2.0
119.03503	10.9
119.05006	3.2
120.05383	3.6
125.79246	1.4
129.01947	7.9
131.03531	1.6
135.04517	5.0
143.03557	2.3
161.02443	2.5
161.04570	4.3
163.04007	3.2
164.04369	8.1
166.97588	1.5
179.05594	11.0
188.92978	1.6
296.10846	2.0
297.11874	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
69.97261	100.0
75.79571	34.4
98.22537	46.9
110.58849	42.3
161.59099	36.2
196.81474	37.6
227.38094	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92994	0.5
56.16357	0.5
66.68932	0.6
69.66742	1.6
75.27087	0.5
86.41357	0.5
147.61404	0.6
153.12840	0.8
154.13225	0.6
157.08702	1.7
165.12775	0.5
180.14780	1.2
183.01216	1.4
185.18086	0.6
247.56602	0.6
252.24269	1.1
279.23312	1.9
296.23120	100.0
297.15213	2.7
297.24289	15.9
306.39734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.0
74.99071	3.7
75.80885	2.7
77.19589	2.3
89.04288	7.6
149.00966	40.1
183.01208	11.8
223.02861	5.5
252.54645	2.6
264.98425	21.9
281.01602	7.8
287.24515	2.6
296.23151	6.2
297.01340	4.9
297.04721	100.0
297.15314	28.2
297.24332	40.9
298.04718	10.2
299.02536	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	297.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22625	2.0
50.66951	2.1
59.01375	12.4
61.67097	2.1
69.60440	6.8
71.01383	5.7
72.00906	5.6
72.99320	8.0
73.02949	38.2
74.02480	6.3
75.00861	3.0
78.95902	5.5
81.42377	2.2
85.02953	34.3
86.24321	1.9
87.00905	3.2
89.02437	4.8
99.00871	5.0
101.02415	2.5
105.01953	5.4
111.00876	6.7
116.97266	12.0
117.01942	100.0
118.05106	20.1
129.01947	41.4
130.02293	2.4
144.92171	2.3
172.99422	10.8
173.03079	3.5
192.19884	2.3
199.01057	9.7
215.00490	8.3
231.37851	2.2
234.86081	2.1
245.79480	2.1
268.23712	2.4
297.08270	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	297.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72448	2.1
54.71449	2.1
59.01381	26.6
60.70959	2.1
71.01395	13.7
72.00892	3.1
72.99297	6.4
73.02947	42.7
74.02467	4.6
75.00871	5.1
78.95922	13.2
85.02950	7.8
87.00879	8.8
88.98822	4.7
89.02445	11.1
96.96933	4.6
99.00867	10.6
101.02451	6.9
103.92019	2.6
105.01914	3.6
108.90195	3.1
110.89977	2.4
111.00871	5.0
113.02493	2.4
115.00434	2.8
116.97239	4.3
117.01941	100.0
118.05094	15.6
119.05006	5.4
126.90514	4.2
129.01947	5.3
135.04530	3.1
150.01320	2.5
151.01279	3.5
165.04485	3.8
166.97473	2.8
172.99449	2.7
199.00943	3.8
223.04578	4.0
294.78745	2.2
308.62302	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	297.1191
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
57.03453	1.1
59.01377	100.0
60.01704	1.1
64.37817	0.8
71.01385	14.7
72.99296	0.7
73.02950	4.5
83.01391	1.8
85.02946	10.6
87.00886	1.2
87.99123	0.7
89.02443	12.2
89.02946	1.2
95.01414	0.8
97.63524	0.8
99.00869	1.1
101.02439	13.9
111.00195	1.0
111.00861	4.1
113.02457	6.5
119.03527	5.3
126.35632	0.7
129.01944	7.4
135.04552	1.7
135.05667	0.7
135.06668	2.1
138.76437	0.7
143.03537	1.7
150.04240	0.8
158.99785	1.5
159.03011	1.4
161.04555	8.7
164.97050	0.8
179.05627	2.6
184.97702	1.9
214.69455	0.7
237.09798	21.4
238.10133	1.0
248.61140	0.8
254.89819	0.7
297.11975	8.6
298.06195	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	297.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	4.4
60.47319	1.5
61.91250	1.5
69.03448	2.9
77.10438	1.6
81.03458	2.8
83.05007	2.0
100.64791	1.6
110.03738	100.0
111.04033	2.4
125.05212	2.3
125.06093	31.2
125.09704	1.8
135.04507	2.1
137.09703	2.5
171.10271	64.0
172.10658	2.1
185.13383	1.8
221.11642	1.8
229.12366	2.2
235.13474	3.3
247.13408	5.5
255.34793	1.5
261.14938	2.7
264.13608	16.0
265.13934	1.6
279.13101	3.1
279.15997	37.5
280.16257	2.6
297.13330	1.8
297.17020	1.9
297.24237	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	297.2071
Annotation	4alpha-Hydroxy-5beta-acetoxy-epi-cubenol
Peak:m/z	Relative Intensity
56.35238	1.4
59.01380	2.9
63.48595	1.7
69.08101	8.8
81.25801	1.7
98.22676	3.5
101.40090	1.8
102.89780	1.6
118.89828	1.6
125.09737	6.0
137.66515	1.9
153.09187	2.3
154.09932	3.3
163.11330	3.8
171.10295	2.3
171.35222	1.7
181.12646	2.2
184.29167	1.5
235.20639	4.5
279.17148	1.5
279.19638	90.7
280.20007	5.4
297.20712	100.0
298.20953	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	297.2072
Annotation	Plakortic acid
Peak:m/z	Relative Intensity
54.90462	0.3
55.40457	0.4
57.03432	1.2
59.01374	1.8
60.99296	1.0
61.98796	0.5
69.47980	0.8
69.48392	1.1
71.01389	0.4
83.05042	1.9
109.06595	1.2
111.04504	1.1
111.08173	7.7
113.09650	0.4
122.49508	0.3
127.07652	2.6
129.09219	0.6
137.09795	0.4
139.07652	0.9
139.11292	1.5
141.12845	1.8
149.01016	0.4
155.14406	1.3
157.08731	2.3
157.12341	1.2
170.13208	0.4
178.51154	0.4
181.15979	3.3
183.13853	0.7
185.11856	1.7
185.15466	0.6
186.08931	3.2
197.99284	0.4
207.17599	0.5
225.22183	0.5
233.19128	0.4
235.20679	12.0
236.21147	1.0
247.24240	0.4
251.20187	2.0
253.21736	1.8
261.18527	1.2
269.21219	0.6
279.19714	5.8
280.20126	0.4
297.20721	100.0
298.21045	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	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01385	1.1
68.55182	0.6
69.68106	1.2
69.68435	1.1
83.65257	0.6
92.07940	0.6
93.61919	0.6
128.69479	0.7
159.54646	0.6
169.12328	5.5
183.01208	6.5
183.13890	1.5
184.01868	1.0
193.17874	0.6
195.40587	0.7
261.22217	0.9
279.23325	13.9
280.23618	1.3
295.22736	1.7
297.15317	15.7
297.24347	100.0
298.15567	1.8
298.24695	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2434
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
69.29263	2.7
127.11287	2.2
153.09218	0.5
171.10274	11.0
219.49731	0.5
279.20276	0.7
279.23331	12.2
297.24347	100.0
298.24701	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01370	1.5
61.98817	0.9
70.37495	1.4
77.59680	0.6
89.04288	0.9
92.66620	0.7
116.92824	1.1
130.02336	0.7
139.11279	1.9
140.48271	0.7
149.00966	4.4
155.14372	1.0
176.24109	0.8
183.01222	3.8
214.89561	0.9
223.02887	0.9
249.75436	0.8
253.25392	2.1
264.98441	1.1
265.98407	0.8
297.04742	9.8
297.15390	5.9
297.24350	100.0
298.04767	2.1
298.15433	0.8
298.24741	6.3
299.02802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01356	1.9
61.98825	2.3
79.95757	1.4
81.30019	1.4
91.49246	1.3
91.82417	1.3
94.92506	1.8
96.96010	1.3
108.38736	1.6
183.01196	39.9
184.01965	14.8
188.66197	1.5
197.02753	1.7
197.15434	2.5
214.89752	1.6
216.01103	1.3
279.18719	4.0
279.23346	5.9
280.80508	1.2
281.08038	1.5
295.23026	1.3
297.15305	100.0
297.19202	3.6
297.20462	2.8
297.24335	61.1
298.15564	9.1
298.24704	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	297.2435
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.12003	0.5
61.68428	0.5
69.93833	1.1
90.70585	0.5
98.21976	0.6
110.30378	0.5
140.37878	0.5
183.01193	1.0
249.22205	0.8
251.23798	31.5
252.24133	2.5
279.23203	0.8
297.15247	2.0
297.24341	100.0
298.24695	7.7
300.71692	0.6
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	Ricinoleic acid
Peak:m/z	Relative Intensity
56.81557	1.2
59.01386	1.6
75.33750	1.3
109.02918	1.3
155.12112	1.2
183.01219	9.6
183.13870	1.9
184.02061	1.3
185.10179	1.6
185.11824	32.8
186.12105	1.6
204.65044	1.3
279.23166	7.6
297.15283	22.8
297.24338	100.0
298.15347	2.2
298.24573	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	298.0163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.7
60.93937	2.4
70.15127	5.1
72.00906	45.1
78.95901	2.7
80.62395	1.8
80.72407	2.2
80.90411	1.9
85.52850	1.8
91.05476	2.1
92.27064	2.0
92.60080	2.4
93.03471	6.6
108.93758	2.8
112.68182	2.1
117.93787	24.8
133.17787	2.2
137.02441	8.2
147.04529	37.2
150.94798	12.9
163.94316	20.8
164.07179	48.5
164.37708	2.0
167.03522	2.4
169.89957	11.7
174.99260	7.8
178.26817	2.1
178.93066	4.6
201.02486	3.1
205.95392	9.4
217.00294	34.1
261.96103	27.8
279.97296	6.5
297.93939	30.7
298.01648	100.0
299.01941	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	298.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94081	1.0
54.31891	0.9
59.01380	6.3
71.01379	4.3
72.00909	18.2
74.02473	27.2
89.02441	5.0
93.03457	3.4
101.02426	2.2
104.67546	0.9
106.66038	1.0
118.05109	100.0
119.03549	1.7
119.05437	1.0
137.02444	3.8
144.83649	0.9
179.05611	2.0
179.50305	1.0
201.02586	1.5
225.12276	1.0
242.51367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01720	0.9
66.08650	0.6
71.01403	0.6
78.95919	1.8
79.07597	0.6
82.94111	0.6
88.04055	0.8
129.01964	0.6
130.08739	96.6
131.04585	0.6
131.09120	1.3
131.72734	0.6
137.02490	1.2
137.03558	2.9
152.40172	0.6
157.03557	6.3
159.01476	3.3
167.03477	0.6
174.99216	2.2
201.02550	91.7
202.02713	6.8
217.00255	7.1
290.91476	0.7
299.13763	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44523	0.9
57.21219	1.0
59.01377	100.0
61.52373	1.0
69.86885	1.0
69.87835	3.4
78.95907	4.3
88.04011	1.9
96.96947	1.8
98.22626	1.2
111.00795	1.4
117.70732	1.0
125.87349	1.3
126.90433	1.4
137.02480	2.3
141.00488	1.3
154.93384	1.4
156.90331	2.4
156.93103	2.5
157.03560	3.7
159.01512	3.1
160.43336	1.3
162.83922	25.1
174.99240	4.0
199.01021	1.8
201.02542	77.2
201.12317	1.5
202.02759	3.7
210.06294	1.6
212.92430	2.6
214.90379	1.7
217.00275	14.6
256.91501	5.0
258.08224	1.4
298.92502	2.2
306.21118	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34402	0.4
59.00674	0.4
59.01379	9.4
65.00324	0.5
67.01891	0.6
68.99765	0.5
69.48347	2.3
69.48626	0.5
71.01385	0.7
72.99310	0.9
73.02964	0.7
78.95910	1.0
85.02953	1.7
87.00879	9.8
89.02411	0.5
91.01898	8.1
92.92789	1.8
93.03464	13.5
100.40046	0.5
103.00381	1.9
108.02172	7.5
111.00270	0.5
111.00896	5.2
112.98810	3.7
117.01915	1.1
123.04533	31.9
124.04836	0.8
129.01944	1.3
134.03763	0.6
136.98802	3.8
137.01431	0.8
137.02449	13.9
138.16170	0.5
151.00122	1.3
152.01176	4.7
156.99834	0.6
167.03503	100.0
168.03868	3.1
192.95430	5.9
200.41716	0.4
201.02573	2.6
202.07335	0.5
222.89775	0.6
224.93478	0.9
266.88678	1.2
299.04019	2.2
299.07449	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0561
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
59.01378	10.6
59.01645	0.8
63.02437	1.2
65.00336	0.6
68.68515	0.5
69.54529	1.4
70.27760	0.6
83.01405	1.5
97.06629	0.7
107.01423	2.4
107.04355	0.5
111.08250	0.5
125.02544	0.5
132.02206	1.0
133.03046	0.5
134.03749	1.1
137.02498	0.5
137.06165	0.8
141.17958	0.5
148.01665	0.5
148.85202	0.5
151.00343	3.6
158.39206	0.5
173.08223	1.6
174.99220	3.6
183.04507	0.8
188.04810	0.6
199.04004	1.2
200.04776	0.8
211.04008	1.5
217.00282	14.6
227.03488	2.2
239.03444	0.7
255.02966	1.7
256.03775	14.4
257.04077	0.8
271.02414	1.2
283.02478	1.2
284.03262	100.0
285.03632	5.9
299.05588	79.5
299.18610	3.8
300.05875	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	299.056
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.13293	0.3
52.50627	0.3
53.61229	0.3
57.17105	0.3
59.01379	5.3
63.02408	0.5
65.00349	0.4
83.01390	0.7
84.46368	0.3
92.83111	0.3
104.02701	0.4
107.01408	1.6
125.02448	1.0
132.02187	0.8
134.03767	0.7
143.54802	0.4
151.00368	2.9
155.34045	0.3
174.99248	1.5
187.04053	0.3
188.04805	0.5
199.03976	0.6
200.04807	0.7
217.00299	6.7
227.03485	2.2
228.04199	0.7
255.02896	1.7
256.03760	35.1
257.04135	2.2
271.02371	0.8
283.02414	0.6
284.03256	100.0
285.03616	6.1
299.05588	74.5
300.05905	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	299.0773
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
59.01380	42.6
64.99683	0.8
71.01379	1.5
74.78693	0.6
77.58712	0.7
78.95898	2.3
85.02943	1.7
85.74246	0.6
86.16586	0.8
87.00868	0.8
91.01930	0.8
93.03461	87.1
94.03780	2.0
95.77666	0.6
95.79037	0.8
96.96009	1.1
104.13573	0.7
108.02133	1.1
123.04539	2.8
137.02449	100.0
138.02794	3.5
157.03510	1.0
159.01508	1.7
162.81741	0.7
162.83931	8.8
167.03511	9.7
174.99223	7.7
192.53650	0.7
192.99893	0.7
201.02559	21.7
202.02672	1.8
217.00304	22.2
230.43651	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80079	0.7
59.01380	46.2
60.58635	0.8
61.15801	0.7
70.30298	1.5
71.01382	3.4
78.95914	3.5
85.02967	1.1
87.00864	0.8
88.04057	0.9
89.02461	1.9
93.03460	84.5
94.03793	2.4
98.21864	0.8
98.99370	1.0
114.98872	1.3
117.00433	1.7
119.05031	1.4
123.42390	0.9
125.49797	1.0
135.04541	1.3
137.02446	100.0
138.02788	2.9
141.00447	0.9
156.99950	1.7
157.03607	1.2
159.01485	2.3
159.44296	0.7
161.02368	1.3
167.02086	3.3
169.14850	0.8
171.05090	1.1
174.99255	3.6
175.02454	0.9
179.03493	1.9
201.02554	25.2
202.02698	1.9
210.06149	1.9
217.00299	12.2
254.99077	2.0
256.91428	1.0
258.08365	2.2
280.97061	0.8
298.91586	1.2
298.98151	3.3
299.07578	2.3
300.09485	1.3
300.13196	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.00579	0.7
59.01380	100.0
60.01713	1.5
61.83187	0.7
63.32946	0.7
67.62323	0.6
67.89632	0.7
69.16954	0.6
69.41429	2.5
71.01382	41.2
72.99305	1.0
73.02972	1.5
83.01392	1.6
85.02952	7.8
87.00900	1.8
89.02446	47.2
93.03483	1.2
95.01420	2.6
98.22666	1.1
101.02448	27.6
108.02155	1.1
113.02454	17.2
119.03521	24.0
119.05022	29.3
120.05405	0.9
123.00844	0.8
123.03281	5.9
131.03551	2.1
136.01668	11.6
136.05290	4.4
137.02477	6.3
137.04985	0.8
137.06104	3.3
138.05615	76.9
143.03537	1.6
145.02954	1.0
149.04607	1.2
152.07198	0.7
160.84253	2.5
161.04556	4.2
161.84218	0.8
162.83914	23.3
164.57695	0.7
167.03462	0.9
174.99243	10.2
179.05664	3.0
180.06633	1.2
181.01459	1.3
182.02232	1.7
197.04616	2.1
199.91226	0.7
210.38284	0.7
217.00299	37.2
218.00684	1.3
239.05598	1.7
261.88870	7.2
262.89319	2.8
263.88602	13.9
298.88065	1.4
299.01437	6.5
299.07794	2.7
299.11371	4.6
300.10861	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
59.01380	7.7
61.33066	0.6
89.52334	0.6
110.62625	0.5
121.52271	0.5
139.65761	0.6
141.12807	2.5
141.92430	0.6
155.41992	0.5
164.68361	0.5
174.99240	2.6
217.00284	9.7
253.25372	1.2
278.39380	0.5
281.24945	1.5
292.23587	0.5
297.24484	0.6
299.20203	7.8
299.25903	100.0
300.20581	0.7
300.26239	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	299.2591
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.12045	0.6
69.59454	1.2
69.59805	2.1
88.91172	0.6
103.91295	0.6
105.35905	0.6
158.97783	0.6
174.31274	0.6
225.22298	1.1
251.23779	4.3
253.25357	59.6
254.25749	3.8
281.24872	1.4
299.25906	100.0
300.26331	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	300.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00331	0.7
59.01381	4.3
60.01709	0.6
68.01414	2.7
69.32456	1.6
69.32859	0.9
73.33054	0.5
82.95416	7.7
84.67892	0.4
85.02977	0.8
89.02451	0.7
90.57655	0.5
94.06660	0.5
110.06061	0.5
118.98090	3.2
123.03266	6.0
124.07694	0.9
130.08739	0.9
136.07684	0.8
137.04839	1.2
138.05612	100.0
139.05963	2.6
152.07176	1.2
167.03554	0.5
167.05878	2.5
180.06673	5.1
218.00577	1.3
243.07657	0.6
251.15573	0.5
257.79501	0.5
271.07269	0.7
300.10886	16.0
300.13831	0.5
300.19070	0.7
301.07529	0.6
301.11667	1.6
301.21692	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	301.0268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	98.4
60.83177	1.3
61.98807	1.3
68.52227	1.0
69.64114	4.6
73.05516	1.0
74.02495	1.3
78.95888	1.3
85.02953	1.1
90.17542	1.1
98.22638	2.3
104.29091	1.0
115.02516	10.5
117.00446	8.6
123.00888	1.5
129.10437	1.2
131.08203	1.4
141.92053	1.1
148.98584	1.1
157.03564	2.1
157.49699	1.2
159.01497	100.0
159.96538	2.3
160.01637	6.0
164.83562	1.3
174.99335	1.0
186.12656	1.4
200.10490	1.1
201.02573	25.9
203.02246	5.4
228.96729	2.4
259.01645	3.8
284.12509	2.9
301.02686	53.0
301.21735	69.7
302.02838	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	301.0354
Annotation	HIERACIN
Peak:m/z	Relative Intensity
58.74547	0.3
63.02396	7.3
65.00323	13.1
69.65225	0.6
69.65632	0.8
83.01383	8.4
85.53452	0.2
93.03447	3.4
95.01341	0.3
96.02179	0.3
107.01392	21.3
108.01653	0.5
108.02283	0.3
108.99269	0.3
109.02961	2.1
118.62669	0.3
121.02954	19.5
122.03255	0.8
122.95734	0.3
124.01656	0.6
125.02457	0.9
133.02977	0.4
136.01723	0.4
139.04024	1.9
145.02965	0.5
147.00891	0.3
147.04530	0.4
149.02448	2.2
151.00369	62.7
152.00687	1.9
159.04492	0.8
161.02495	1.3
162.03241	0.3
163.00307	1.3
163.03986	1.3
164.01112	1.5
169.01445	1.5
171.04449	0.4
173.06094	0.4
175.03914	0.3
178.99855	21.7
180.00212	1.1
183.04518	0.5
185.06110	0.4
186.03119	0.3
187.03990	0.9
193.01454	0.9
199.04045	0.5
201.05605	0.8
203.03583	0.4
205.05151	0.5
211.04019	1.0
227.03497	1.0
229.05103	1.5
231.02937	0.5
239.03537	0.4
243.02908	0.7
245.04544	2.0
255.02931	0.6
257.04572	1.1
273.04044	3.4
299.01834	0.3
301.03522	100.0
301.21667	5.5
302.01242	0.2
302.03870	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	301.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.4
62.74301	0.8
63.02397	3.8
65.00329	3.8
69.21844	4.8
83.01382	6.3
84.51338	0.9
91.01858	0.8
93.03452	8.8
95.01406	1.9
96.52497	0.8
107.01382	5.6
107.05033	1.6
109.02958	1.5
111.00888	1.0
117.03513	1.5
119.01419	1.4
119.05042	1.1
121.02957	11.0
124.01638	2.4
125.02453	31.9
133.02965	0.8
135.00861	1.3
135.04536	3.1
137.02455	3.6
139.03996	1.0
143.05017	1.5
145.02942	4.1
147.00882	1.1
147.04543	1.5
149.02477	8.4
151.00374	15.0
152.01097	1.7
153.01964	1.4
155.04977	1.6
158.03755	1.7
159.04503	6.2
161.02440	1.3
161.06055	0.9
163.00407	1.4
163.03973	4.3
165.01912	1.2
167.05180	1.1
169.03030	0.7
171.04552	1.6
173.02428	0.9
177.01927	4.3
177.05560	1.8
178.99863	5.3
183.04503	3.3
185.06079	1.3
187.03992	7.6
188.04466	0.8
189.05644	1.5
191.03476	3.4
192.00691	1.1
199.04021	2.5
201.05539	2.1
203.03583	0.9
205.05045	2.4
211.04089	3.9
213.01840	0.9
213.05557	1.1
215.03491	8.3
227.03479	6.6
229.05103	2.4
233.04613	2.3
243.02893	1.0
245.04446	2.4
255.02936	7.0
257.04599	1.7
273.04025	29.5
274.04279	1.5
283.02512	1.2
291.40570	0.9
301.03522	100.0
301.21698	25.7
301.25000	1.5
302.03851	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	301.0718
Annotation	Gnetifolin A
Peak:m/z	Relative Intensity
59.01373	6.6
61.98817	7.3
69.16305	6.8
69.16704	20.4
74.00276	3.4
96.89742	3.6
98.22700	8.0
126.24644	4.0
138.19048	4.2
149.02568	4.3
150.99515	3.9
171.10324	8.5
184.62947	3.6
212.04691	5.4
215.03528	6.8
239.03484	11.0
240.04167	7.8
243.03004	8.1
257.04532	9.4
269.04550	12.1
271.02542	5.3
285.04126	24.8
286.04834	41.5
294.36017	3.9
301.07147	78.3
301.21863	100.0
302.07397	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	1-beta-D-Glucopyranosyloxy-3-methoxy-5-hydroxybenzene
Peak:m/z	Relative Intensity
56.05662	0.2
59.01386	3.8
70.66054	0.3
93.03456	4.8
106.28240	0.2
121.02961	7.6
123.00922	0.4
139.04016	100.0
140.04349	2.6
165.01971	0.3
203.02296	0.2
203.04179	0.2
239.35176	0.3
241.08278	4.2
242.08376	0.3
248.39612	0.2
260.33643	0.3
301.09256	2.6
301.21738	5.0
302.09698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05662	0.2
59.01386	3.8
70.66054	0.3
93.03456	4.8
106.28240	0.2
121.02961	7.6
123.00922	0.4
139.04016	100.0
140.04349	2.6
165.01971	0.3
203.02296	0.2
203.04179	0.2
239.35176	0.3
241.08278	4.2
242.08376	0.3
248.39612	0.2
260.33643	0.3
301.09256	2.6
301.21738	5.0
302.09698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73994	0.6
59.01377	11.9
61.98845	0.8
70.28250	1.6
71.01411	0.8
72.00890	1.0
74.99078	1.6
78.95904	1.3
88.95715	0.6
93.03458	7.4
96.96005	2.7
96.96954	1.9
115.02554	0.6
121.02951	8.0
123.00892	4.6
123.04462	0.9
125.02450	0.9
136.99120	1.3
138.03241	2.7
139.04012	100.0
140.04349	3.1
147.04521	0.7
159.01476	0.9
164.07156	0.9
167.03525	0.8
174.99269	0.8
176.73198	0.6
190.05881	0.7
201.02547	0.9
203.02388	1.1
205.12411	1.0
241.08298	6.9
249.98407	0.7
301.09314	3.5
301.21716	72.7
302.22131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73994	0.6
59.01377	11.9
61.98845	0.8
70.28250	1.6
71.01411	0.8
72.00890	1.0
74.99078	1.6
78.95904	1.3
88.95715	0.6
93.03458	7.4
96.96005	2.7
96.96954	1.9
115.02554	0.6
121.02951	8.0
123.00892	4.6
123.04462	0.9
125.02450	0.9
136.99120	1.3
138.03241	2.7
139.04012	100.0
140.04349	3.1
147.04521	0.7
159.01476	0.9
164.07156	0.9
167.03525	0.8
174.99269	0.8
176.73198	0.6
190.05881	0.7
201.02547	0.9
203.02388	1.1
205.12411	1.0
241.08298	6.9
249.98407	0.7
301.09314	3.5
301.21716	72.7
302.22131	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02716	3.3
58.02977	37.8
59.01374	9.3
61.98825	7.2
69.56270	10.1
71.16235	2.1
73.98306	2.2
74.02494	4.6
81.63921	2.1
84.04546	8.3
84.50143	2.2
85.23220	2.1
98.21827	3.9
128.03580	6.8
128.10799	3.8
153.79121	2.3
171.15034	18.9
171.49106	2.3
197.12943	42.6
199.47923	2.7
213.16122	7.4
215.13997	41.4
243.07663	3.4
257.15079	84.1
258.15497	4.4
271.07236	3.0
301.11871	4.6
301.21771	100.0
302.22079	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	301.1661
Annotation	Viridamine
Peak:m/z	Relative Intensity
50.91611	0.1
59.96731	0.1
60.97502	0.6
61.98806	0.4
69.68834	0.3
74.99048	0.6
91.02187	0.1
92.92775	0.2
93.00144	0.2
94.80670	0.1
118.96184	0.7
134.99403	5.0
135.00432	0.3
135.99420	0.2
136.47385	0.2
136.97334	1.7
141.07420	0.3
143.05302	0.8
159.08453	1.4
161.06392	6.0
162.06592	0.2
176.81192	0.1
201.04103	0.5
203.05653	2.7
204.05676	0.2
205.03581	1.0
215.05644	0.9
217.07204	81.3
218.07350	4.6
235.08208	0.3
259.20547	0.1
261.06039	0.3
279.33109	0.1
283.11856	0.5
285.13474	34.2
286.13638	3.0
301.16586	100.0
302.16803	9.1
320.27295	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98963	0.5
69.28047	2.1
75.06178	0.5
81.07085	1.3
90.02768	0.5
96.94759	0.5
151.74240	0.5
167.79248	0.5
189.93410	0.5
205.12344	4.1
220.14789	0.6
266.02625	0.5
301.21719	100.0
302.22092	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	301.2172
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
55.94998	0.8
56.88985	0.8
69.94566	1.6
86.71917	0.7
112.15369	0.6
163.01378	0.8
181.81657	0.8
187.42438	0.8
301.21735	100.0
302.22052	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58557	0.3
70.03054	0.7
70.03384	0.3
109.95013	0.3
110.96772	0.3
112.55891	0.3
121.47296	0.3
121.90472	0.3
197.74300	0.3
301.21722	100.0
302.22055	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	302.0662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27897	3.7
54.72062	3.2
59.01380	100.0
60.01727	3.7
61.98832	8.3
70.58848	6.8
71.01408	9.4
78.95889	4.8
83.56837	3.2
92.30704	3.4
98.21806	3.4
99.05646	4.5
116.02590	5.3
117.00430	7.2
117.06666	5.1
117.95531	5.8
118.00500	5.0
123.87797	3.8
134.04741	5.9
150.04196	6.4
159.01518	50.2
159.96584	17.7
160.01688	44.3
160.96689	4.2
161.01202	11.0
182.09282	6.5
186.12453	6.3
201.02510	9.7
202.02809	11.7
203.02359	8.3
212.10254	4.1
266.08966	10.1
284.12485	27.7
302.02814	46.7
302.13745	5.4
303.02673	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	303.051
Annotation	Dihydrorobinetin
Peak:m/z	Relative Intensity
57.03452	16.3
59.01367	1.6
59.71500	0.9
65.00319	4.1
68.36606	1.1
71.01398	1.1
78.95905	3.5
80.14689	0.9
81.03477	1.6
83.01388	10.2
85.02966	1.2
87.00885	10.3
87.92531	2.6
92.97079	1.0
93.03463	2.0
95.09576	1.0
96.96963	1.4
103.92021	4.1
104.92802	2.5
105.03452	1.1
105.98856	1.0
107.01396	3.8
109.02956	8.5
111.00887	1.8
117.01951	1.1
119.05006	1.2
121.02937	4.6
123.04506	4.7
124.01669	1.6
125.02452	100.0
126.02763	2.5
133.01421	2.7
133.02966	1.4
135.04482	2.4
137.02441	13.2
139.04016	2.8
142.97504	1.1
145.96700	3.7
147.04584	3.4
149.02478	10.8
150.03204	2.5
151.00374	11.2
151.03999	5.2
152.01180	2.6
153.00706	1.1
153.01933	17.3
159.04500	2.0
161.02408	2.7
161.96227	2.8
163.03906	1.1
165.01892	3.7
167.03539	1.2
171.04526	2.2
174.03197	4.0
175.04028	13.9
177.01924	14.9
178.99860	3.9
181.01401	2.9
185.05975	1.8
188.04855	1.3
189.05551	3.6
193.05048	1.0
198.03264	1.0
198.89726	2.9
199.03989	5.8
199.94109	3.5
201.01884	1.7
201.05571	1.2
211.03951	1.5
213.05550	2.9
215.03525	1.0
217.05052	9.9
219.03163	1.0
228.97560	6.3
229.05051	2.2
231.06439	1.2
241.05179	5.0
243.02937	2.9
245.04451	4.9
257.04532	5.4
259.06088	3.7
267.02747	1.4
275.05533	6.5
285.04062	32.3
286.04446	1.4
302.22025	2.2
303.05179	7.8
303.19452	1.6
303.22504	1.3
305.25418	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0509
Annotation	cis-Dihydroquercetin
Peak:m/z	Relative Intensity
57.03444	18.5
65.00313	3.7
70.51295	1.7
81.03474	1.1
83.01382	7.1
98.21938	1.0
101.56003	0.9
102.78510	1.0
107.01370	3.3
109.02937	3.3
111.00847	1.2
121.02990	1.4
123.04531	7.6
124.01686	2.6
125.02445	100.0
126.02772	2.2
137.02383	2.8
139.04010	1.6
147.04506	3.0
149.02422	5.8
150.03223	7.6
151.00359	9.7
151.04016	10.5
152.01152	7.1
153.01939	10.0
161.02470	1.7
161.06023	1.5
165.05577	1.2
173.06013	1.0
174.03217	2.8
175.04004	14.3
177.01921	17.4
178.99870	6.4
180.00650	1.4
181.01437	2.1
184.84541	0.9
185.06076	1.1
188.04800	2.1
189.05637	4.7
193.05038	1.7
199.04034	7.6
201.01974	2.7
213.05540	2.5
217.04977	9.8
219.02869	1.0
231.06494	1.4
235.06116	1.1
241.05130	4.4
243.02951	1.2
245.55869	0.9
257.04520	1.1
259.06088	4.6
275.05472	4.9
285.04044	61.9
286.04337	3.2
303.05087	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	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
50.64296	0.4
51.57582	0.5
57.03447	17.0
65.00333	3.3
68.99789	0.5
71.01869	0.8
81.03474	0.9
83.01393	7.4
93.03506	0.6
95.01398	0.6
105.03416	0.7
107.01391	3.2
108.02171	0.8
109.02967	2.8
111.00878	0.6
119.04947	0.7
121.02957	1.3
122.03732	1.0
123.04542	5.8
124.01678	2.3
125.02450	100.0
126.02757	2.7
137.02457	1.4
139.04031	2.1
143.05043	0.7
146.03661	0.7
147.04544	2.2
149.02441	6.0
150.03235	7.9
151.00391	10.9
151.04008	7.8
152.01163	5.6
153.01947	10.2
154.02280	0.6
157.44749	0.7
161.02467	1.2
161.06099	1.4
165.05540	1.3
171.04561	1.7
173.06174	1.2
174.03218	3.6
175.04028	17.8
176.04359	0.6
177.01936	19.2
178.02281	0.6
178.99869	7.4
180.00577	1.4
181.01463	3.6
188.04828	2.3
189.05618	4.6
191.03397	0.6
193.05118	3.0
197.06143	0.7
198.03304	0.7
199.04007	9.5
201.01898	3.3
213.05597	1.7
216.04285	2.4
217.05086	10.0
231.06615	1.5
241.05031	6.1
243.02991	1.7
257.04614	1.5
259.06104	5.1
275.05573	6.6
285.04047	68.9
286.04370	5.0
302.23383	1.4
303.05099	10.7
303.23727	1.1
304.05286	0.7
319.67139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.051
Annotation	(+/-)-Taxifolin
Peak:m/z	Relative Intensity
57.03447	13.5
65.00330	4.1
67.01890	0.8
68.99830	1.0
70.05376	0.8
70.51569	0.9
70.51888	1.1
83.01377	7.6
93.03458	2.1
107.01389	4.2
109.02949	6.8
111.00901	0.8
121.02941	4.6
123.04501	4.8
124.01643	2.2
125.02450	100.0
126.02772	3.0
135.00941	0.8
135.04532	1.4
137.02451	13.8
139.04013	2.8
143.05045	0.9
145.02937	0.8
146.03737	1.0
147.04510	3.6
149.02431	10.3
150.03197	2.7
150.99277	1.5
151.00362	11.7
151.04027	4.2
152.01141	2.2
153.01945	17.8
159.04529	2.9
161.02434	1.5
161.06184	0.9
163.00378	2.4
165.01888	3.7
167.05112	1.0
171.04527	1.8
174.03210	2.9
175.03999	11.3
177.01935	14.0
177.05515	1.0
178.99847	4.9
181.01428	2.5
185.06006	1.2
188.04774	2.3
189.05611	5.0
193.05139	1.5
199.03999	6.1
201.01860	2.1
201.05554	1.4
211.03996	1.1
212.04494	0.8
213.05571	2.2
215.03477	1.3
216.04274	1.0
217.05132	6.8
239.03564	0.9
241.05067	4.8
242.05301	0.8
243.03012	1.0
245.04576	3.3
257.04520	3.7
259.06152	3.2
267.02975	1.7
275.05600	7.1
285.04031	28.7
286.04376	1.3
302.22049	2.5
303.05078	7.5
303.19577	1.1
303.22552	1.1
305.60220	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0873
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
57.03441	1.0
59.89912	0.8
62.21489	0.9
65.26272	0.8
65.52096	0.8
66.57256	0.9
67.10904	0.9
69.03447	3.9
69.31387	2.8
69.31783	1.5
81.03451	3.1
83.01384	17.2
83.05029	1.3
93.02943	0.9
93.03467	5.9
95.01363	1.2
95.05013	6.3
97.02946	26.0
99.04498	2.0
107.05031	2.3
108.02166	3.8
108.61187	0.8
109.02946	11.7
111.39067	0.9
120.99625	1.5
121.02956	5.8
122.03736	12.8
123.04541	6.2
124.01644	1.3
125.02441	10.4
134.03745	1.0
135.04494	2.4
137.02444	100.0
138.03284	6.2
139.04005	7.7
145.02962	2.2
146.03752	1.6
148.01649	2.7
149.02443	3.2
150.03244	6.1
151.04018	3.1
153.05571	1.7
158.03679	1.2
159.04472	2.0
160.05292	2.0
161.02492	4.5
163.04042	3.0
164.01170	1.2
165.01953	8.3
165.05568	5.5
166.02693	4.5
167.03535	1.8
168.99661	0.8
179.03534	2.6
179.06816	0.9
183.04471	1.8
185.06155	1.1
186.03258	2.1
187.03763	1.1
197.06039	1.1
198.06871	1.0
199.07648	1.1
201.05611	4.6
202.06274	3.6
204.04274	3.9
217.08633	4.4
219.06674	7.2
220.07407	10.6
225.05498	1.6
226.06345	3.3
227.03596	1.6
235.09767	7.2
238.62556	0.9
241.05038	2.4
241.08739	1.9
242.05811	1.4
243.12282	2.4
244.07416	10.9
252.04233	1.1
253.05174	0.9
259.09769	8.0
261.07651	2.0
269.04477	4.0
270.05264	7.1
285.04581	1.1
285.07706	12.2
288.06421	1.2
293.03363	0.8
303.08728	99.4
304.09171	5.0
309.24524	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0875
Annotation	Ortin-4alpha-ol 8-methyl ether
Peak:m/z	Relative Intensity
57.03437	2.7
59.01361	0.8
61.96467	0.9
65.00322	1.4
68.40772	0.8
69.36906	1.8
69.37299	2.8
81.03454	18.6
83.01374	7.7
83.05036	2.7
95.05023	0.8
95.98032	0.8
107.01377	2.2
108.02171	3.9
123.00922	1.1
123.04523	41.3
124.01640	3.1
124.04833	1.1
125.02442	13.3
134.03749	9.6
135.04536	4.9
138.03244	2.0
149.02385	1.0
149.06064	9.5
151.00357	16.1
152.01126	3.1
166.01260	1.2
166.02708	33.5
167.03488	88.6
167.14381	8.3
168.03798	2.8
179.03487	7.1
190.04585	0.8
204.04224	1.0
211.13362	10.6
229.14430	20.6
259.09702	1.9
270.05325	1.1
288.06363	4.3
302.22037	5.2
303.08719	100.0
303.18094	4.3
303.19196	4.4
303.22708	2.0
304.09091	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	303.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40625	0.7
59.01380	3.5
61.98834	0.8
70.28692	0.8
74.02470	1.0
82.02959	0.7
83.05026	2.4
84.04549	2.4
98.22628	0.9
102.05609	100.0
103.05952	1.5
120.99583	0.9
128.03540	98.4
129.03885	1.9
130.06650	2.4
135.04524	1.3
137.02492	1.4
146.04593	98.1
146.06009	3.2
147.04909	1.1
156.04584	5.7
157.37494	0.7
161.02435	1.4
164.01152	3.6
173.93802	0.7
174.05592	20.9
177.01680	0.7
179.03535	0.9
215.07408	0.8
217.75887	0.7
243.12425	1.1
259.10880	6.1
271.06174	0.9
285.08856	6.6
302.22061	7.1
303.09854	52.0
303.19699	3.8
303.22702	2.4
304.10202	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	303.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63885	0.9
55.96399	0.9
59.01380	100.0
60.01711	1.1
71.01377	7.1
72.80167	0.9
73.02943	3.8
79.04701	0.9
83.01394	1.1
83.05005	1.1
85.02952	4.1
96.95994	2.0
97.97724	0.9
101.02442	7.0
101.43688	0.7
113.02464	2.8
161.04555	2.9
171.10287	1.7
191.71310	1.0
261.13443	12.4
303.09338	2.1
303.13422	1.6
303.19385	1.6
303.22653	1.5
303.89954	2.6
304.14764	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1603
Annotation	3-Polyprenyl-4-hydroxy-5-methoxybenzoate
Peak:m/z	Relative Intensity
50.63507	2.6
51.94263	2.2
53.33051	1.8
57.03448	65.3
59.01377	2.2
70.35165	3.8
81.03421	3.2
83.05007	5.1
93.07093	3.1
97.06576	3.4
106.04281	2.2
107.05013	21.2
109.06599	16.4
119.22130	2.2
121.06582	5.5
125.09728	2.3
125.87318	3.4
133.06606	3.0
135.08159	26.9
137.09685	4.2
151.11215	2.7
173.09717	3.1
189.12820	15.6
201.12857	8.9
217.15813	4.4
259.17020	100.0
260.17368	8.0
262.17114	2.0
267.94333	2.8
303.16016	99.3
304.16345	6.3
312.90302	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	303.1603
Annotation	Tanzawaic acid F
Peak:m/z	Relative Intensity
52.86955	1.1
55.42918	1.2
57.03450	59.0
59.01382	2.7
69.03454	4.1
69.54198	5.3
74.60971	1.1
80.02663	2.6
81.03446	7.4
83.05033	4.7
93.07092	1.7
95.05023	2.1
97.06572	6.7
100.11093	1.0
106.04253	1.5
107.05032	23.1
109.06602	26.6
119.04973	1.1
120.05806	6.7
121.06591	3.8
133.06618	1.6
135.08165	51.8
136.08467	2.5
136.70830	1.2
137.09743	6.4
149.09648	1.2
171.10219	1.5
173.09772	1.9
189.12857	19.1
201.12880	9.7
205.70609	1.2
215.14359	2.7
217.15912	7.6
218.11940	1.3
231.82880	1.1
241.15981	10.6
259.14767	1.0
259.17023	77.9
260.17404	5.2
303.16052	100.0
303.19293	4.5
303.21979	4.5
304.16357	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	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71080	0.3
63.14811	0.4
69.14455	1.0
69.14863	1.0
81.03458	0.3
83.05030	0.7
85.56023	0.3
89.46587	0.3
91.76666	0.3
97.60318	0.3
121.03611	0.3
129.64185	0.3
171.88606	0.3
197.23373	0.4
215.50887	0.3
225.57370	0.4
259.20651	7.5
260.21054	0.5
303.19644	100.0
304.19989	8.8
319.72025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75302	0.3
58.37074	0.2
59.01389	0.4
61.98840	0.3
68.04658	0.3
69.94352	0.9
73.85980	0.2
74.03862	0.2
83.05025	84.5
84.05352	2.0
108.64299	0.2
109.30417	0.3
126.24184	0.2
168.57726	0.2
182.88518	0.3
182.96640	0.3
205.12387	0.9
219.13872	0.7
243.17456	0.2
259.20657	6.1
260.21289	0.5
303.19650	100.0
304.19977	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	303.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42021	0.8
75.87714	0.2
77.98241	0.2
83.05027	100.0
84.05357	2.2
118.19640	0.2
120.91563	0.2
125.71757	0.2
128.52925	0.2
144.82520	0.2
157.90431	0.2
167.64479	0.2
204.11304	0.2
205.12399	0.7
219.13876	0.4
235.40042	0.2
259.20709	2.3
303.19653	83.0
304.20010	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	303.1966
Annotation	Caribenol B
Peak:m/z	Relative Intensity
52.40971	0.3
57.51033	0.4
59.01373	0.5
71.06335	0.5
83.05024	1.8
174.21597	0.4
218.95500	0.4
219.63350	0.5
243.17493	0.5
256.81805	0.4
259.20667	1.8
303.19650	100.0
304.19971	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81149	0.3
59.01378	0.6
69.00003	0.3
71.44422	0.3
81.17323	0.3
83.05025	81.9
84.05350	2.0
95.14857	0.3
108.39536	0.3
115.61526	0.3
205.12418	1.0
219.13872	0.5
249.86081	0.3
259.20667	7.2
303.19647	100.0
304.19998	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	303.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97218	0.2
59.54382	0.2
69.51132	0.8
79.70495	0.2
81.03439	0.2
83.05017	1.4
84.05308	0.2
95.88091	0.2
114.13239	0.2
128.13614	0.2
259.20654	6.4
260.21042	0.4
303.19638	100.0
304.19986	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	303.2329
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
69.50954	35.3
70.11417	8.4
86.72144	8.4
87.30734	10.0
98.15511	11.3
98.21898	23.2
102.24677	9.6
137.78191	9.5
260.18478	11.8
273.22101	14.5
303.19876	12.3
303.23199	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
57.61016	7.1
59.64762	7.2
62.15236	7.5
70.01965	13.3
70.02281	10.1
72.48997	7.0
83.05001	17.9
88.12216	7.5
156.69058	8.8
165.72835	8.0
284.45370	8.4
289.21848	11.8
303.19525	25.8
303.23044	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	303.233
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
50.61549	0.8
59.01381	7.6
60.16115	0.6
61.98821	0.7
65.14090	0.6
69.62049	2.2
71.01384	1.3
83.05019	2.9
96.28444	0.8
205.19572	2.0
259.24323	11.2
260.24448	0.8
285.22214	1.0
303.23267	100.0
304.20300	1.3
304.23596	7.4
312.16498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.7
60.01714	2.2
61.01818	0.4
61.98832	100.0
64.55215	0.3
69.23309	0.8
69.23711	1.0
72.61660	0.3
76.19078	0.3
79.88164	0.3
89.04228	0.3
115.02538	0.4
115.97655	0.3
116.02589	0.5
117.00431	0.5
117.02277	1.3
117.95532	0.6
117.97343	0.6
118.00546	0.8
118.97552	0.5
119.00207	0.6
119.95231	1.9
133.60222	0.3
134.97084	2.0
159.01471	2.7
159.96570	2.4
160.01639	6.6
160.96729	0.8
161.01212	8.8
161.84236	0.5
161.96294	7.9
161.98950	19.6
162.01616	1.7
162.46204	0.3
162.96535	5.1
162.99052	0.9
163.56442	0.3
176.98129	0.7
201.02573	0.4
202.02698	1.9
203.02257	1.5
203.99998	4.3
204.02040	0.4
204.02690	0.5
237.80083	0.3
241.70306	0.3
244.15054	0.3
251.35835	0.3
261.98917	0.5
262.01636	0.7
265.25000	0.3
272.89545	0.3
304.00125	12.9
304.02829	7.3
305.00287	1.0
305.03024	0.5
312.58322	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07566	14.4
57.60819	16.4
59.01379	100.0
71.01371	19.6
71.05598	15.2
71.23477	15.6
75.50291	18.2
77.10785	14.9
85.00288	15.5
113.02488	15.8
161.04498	17.8
220.57693	16.9
225.11714	17.1
308.10822	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	304.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46715	0.3
58.02975	39.3
59.01366	0.6
60.72726	0.3
63.54110	0.3
69.71874	0.7
99.37153	0.3
124.00703	0.5
144.86441	0.3
168.13937	100.0
169.14279	4.0
170.88394	0.3
195.13879	0.7
212.12933	1.9
279.63184	0.3
304.15848	0.7
304.19354	1.4
305.17374	0.3
305.21152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0666
Annotation	Leucocyanidin
Peak:m/z	Relative Intensity
50.14777	0.9
51.74149	0.7
54.57590	0.9
57.03446	12.7
60.55556	0.8
63.02377	0.8
65.00328	4.2
68.99818	2.1
71.10143	0.8
71.16076	1.2
79.89317	0.8
81.03463	1.5
83.01389	13.4
85.02949	0.8
90.26825	0.8
97.02959	1.9
99.00843	1.5
100.80521	0.9
107.01376	3.8
109.02973	6.3
109.80313	0.8
116.31964	0.7
121.02926	1.8
122.03699	1.1
123.04523	7.8
123.95566	0.8
124.65099	1.0
125.02446	85.2
126.02787	2.6
133.02957	1.1
137.02437	3.0
139.04007	1.4
146.06197	1.1
151.00381	15.5
151.03993	10.2
153.01939	100.0
154.02226	1.5
161.02428	6.1
164.01100	4.8
165.01961	4.3
179.03540	4.5
182.02142	1.1
183.02963	11.1
189.07030	1.0
202.24762	0.9
243.06467	1.0
287.05154	1.2
305.06564	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	305.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33252	19.6
59.01371	89.4
61.98839	28.7
69.35575	49.5
69.35935	100.0
69.97562	19.0
70.96569	19.9
75.53020	25.9
79.65349	24.4
98.21893	42.1
122.53422	23.9
127.86967	27.9
144.87283	39.0
162.83914	36.9
213.38028	25.1
271.18872	25.1
275.90500	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	305.176
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01388	28.9
61.98824	8.6
71.05025	39.0
74.40988	3.6
76.12601	3.5
95.05033	20.8
103.92043	4.0
106.81431	4.3
108.27040	3.2
109.06583	15.2
121.06550	4.2
122.58904	3.5
127.07628	3.6
129.07077	4.3
141.01692	13.3
147.08165	4.5
150.58005	3.9
165.09212	10.7
189.12828	15.5
204.27390	3.2
205.16032	6.4
233.11800	8.3
243.17441	13.4
245.15475	4.2
249.14905	14.2
287.16574	82.9
305.08105	7.6
305.17548	100.0
305.21112	28.3
306.17889	7.0
306.21405	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	305.1757
Annotation	Corrin
Peak:m/z	Relative Intensity
53.27991	1.0
57.03445	5.4
59.01373	3.9
69.03443	1.8
71.49210	1.1
74.17338	1.0
81.03452	1.2
83.05014	1.4
93.03474	2.6
95.05037	3.1
95.67284	1.1
97.02975	1.3
97.06583	4.7
106.04251	1.1
109.06586	2.7
117.07102	1.6
119.05021	4.0
120.05824	10.1
121.06644	1.3
123.04566	7.0
123.08155	3.8
125.09737	14.9
135.08168	57.9
137.09709	3.0
141.12880	4.4
147.04494	4.1
160.08931	1.4
161.06111	1.5
161.09703	4.7
163.11311	2.2
165.09222	1.4
171.15228	1.1
175.07651	5.4
179.10730	1.5
183.10237	1.7
185.11827	60.8
186.12085	1.3
189.12886	6.2
209.11815	3.5
215.14384	1.2
223.13174	1.7
243.17497	26.9
245.15437	2.0
261.18634	2.6
269.15417	4.0
271.71948	1.1
287.16537	70.1
288.16992	5.4
305.17587	100.0
306.17923	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.0
61.59031	2.3
67.29445	2.0
69.32487	8.9
69.81550	2.1
70.86617	2.0
71.05020	7.6
79.05522	8.6
80.02681	2.4
93.03460	3.1
95.05017	9.0
97.06578	10.5
106.04244	13.7
107.05033	4.5
109.06592	11.5
119.05026	2.8
120.05771	4.3
121.06593	5.3
123.08192	12.0
125.09756	18.9
127.49755	2.6
127.53177	2.6
133.06604	42.4
135.08163	96.2
136.08542	4.4
137.09703	3.8
141.01669	4.2
147.04492	3.1
149.09644	2.9
151.11256	3.5
160.47684	2.2
161.06114	4.1
171.10268	16.5
183.10223	2.5
189.12868	5.6
197.11813	2.7
205.15927	4.8
243.17508	28.4
243.88138	2.3
244.17776	2.9
249.14934	35.1
250.15240	2.7
261.18604	3.3
282.56839	2.5
287.16537	55.1
288.16791	3.5
303.32709	2.9
305.17566	100.0
306.17838	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03434	2.5
57.63020	0.9
59.01376	1.7
65.03967	4.6
69.03470	1.2
71.05035	7.4
71.15823	1.1
79.05534	12.5
83.04994	1.2
85.02935	1.1
93.03466	1.7
94.04261	1.2
95.05010	1.4
97.06587	13.9
106.04245	7.7
107.05042	2.4
109.06591	2.7
115.78071	1.0
119.05017	1.7
120.05823	7.3
121.06589	5.0
123.08162	7.1
125.09734	19.4
128.83420	0.9
133.06592	1.8
135.08168	100.0
136.08493	3.4
137.09737	1.8
139.11293	1.2
151.11421	2.5
153.76457	1.0
161.06091	2.5
162.06856	1.9
163.11311	2.0
177.12775	1.4
183.10149	1.3
185.11902	2.3
189.12906	1.6
205.15973	7.1
207.10268	3.0
209.11888	2.9
221.11789	3.0
231.14079	1.2
233.11873	1.2
243.17433	1.3
249.14951	50.1
250.15300	3.0
263.16489	2.7
269.15378	2.0
287.16550	8.1
291.88196	1.0
305.17584	83.1
306.17807	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	2.4
59.01371	5.5
61.98825	0.7
69.03486	1.3
69.41051	1.2
69.41401	2.4
71.05023	25.1
80.02695	1.2
81.03471	1.6
81.75320	0.6
83.05016	2.9
85.34803	0.5
93.03462	1.7
93.07087	0.8
95.05035	8.3
97.06600	8.4
102.24258	0.6
106.04250	1.5
107.05024	2.2
109.06596	18.5
110.03741	0.8
111.04475	0.7
113.01669	0.6
119.04980	1.4
120.05820	1.6
121.03001	0.7
121.06628	3.0
122.03725	0.7
123.04526	1.7
123.08192	3.0
125.09728	6.5
133.06577	2.9
135.08167	31.7
136.05264	0.9
136.08510	1.0
137.09743	0.8
141.01709	1.3
145.43782	0.6
147.04549	0.7
147.08113	1.3
149.09766	0.9
150.06873	0.8
151.07561	0.6
151.11302	5.9
159.08232	0.6
161.06148	1.7
161.09689	1.7
163.11298	1.4
165.09177	2.7
165.12904	1.5
171.10275	1.2
175.07600	1.2
175.11275	0.6
177.12857	3.2
185.09729	0.6
185.10252	0.7
185.11829	5.6
186.12206	0.7
189.12834	12.9
190.13237	1.2
191.10834	0.7
193.12398	1.4
205.15988	4.2
209.11836	10.5
211.13400	2.3
223.13429	3.0
231.13901	1.3
233.11833	12.9
235.13461	1.2
243.17569	8.0
249.14957	34.3
250.15253	2.1
261.07556	0.7
261.18637	2.3
263.16534	7.4
269.15411	1.5
277.18106	1.3
287.16541	37.4
288.16830	2.6
305.17575	100.0
306.17963	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
61.98816	0.8
85.02949	100.0
86.03290	1.6
105.35714	0.5
126.06298	0.5
141.01738	1.4
141.98297	0.4
171.88818	0.5
261.18414	0.5
282.52750	0.5
305.17578	81.1
306.17908	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	305.1758
Annotation	Corrin
Peak:m/z	Relative Intensity
53.01274	1.6
57.03442	2.8
59.01372	17.3
61.98814	3.3
67.50735	1.5
69.03458	1.9
70.76035	2.0
97.02957	1.5
105.07079	2.0
107.08702	4.2
121.06665	1.7
123.08157	3.5
123.40894	1.8
125.09700	7.7
133.06685	2.4
135.08147	8.7
141.01692	9.5
149.06047	2.4
151.11284	2.4
153.09229	1.7
169.67224	1.4
171.10258	2.1
177.09215	1.6
179.07243	2.0
179.10893	1.7
181.12257	2.1
183.98175	1.7
189.12910	2.7
196.07339	2.4
199.09720	3.2
199.95477	1.7
203.11093	1.6
207.13966	4.1
233.19078	1.8
242.70436	1.4
243.17505	25.4
261.18646	8.1
269.15479	3.0
287.16531	24.0
288.16833	2.2
305.17578	100.0
305.21075	6.0
306.17984	5.4
325.75797	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	37.5
59.01362	6.3
61.01046	1.2
61.43041	1.4
65.03960	2.0
69.50044	4.5
71.05010	1.9
93.07089	2.4
97.06596	3.1
105.07074	2.8
109.06572	3.6
119.08665	14.1
124.23254	1.3
124.87950	1.3
131.95016	1.4
141.01643	4.0
144.87376	2.0
173.13300	1.8
177.35724	1.2
185.13376	5.2
202.07999	1.5
219.71031	1.5
223.13393	2.6
227.14394	4.6
233.11778	1.6
243.17513	8.4
249.14862	3.4
261.18530	11.7
279.19699	2.3
305.17572	100.0
306.17932	8.5
306.20880	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	305.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.7
59.01361	3.8
69.03452	3.4
71.05028	4.5
75.57022	1.4
75.66541	1.5
80.02679	4.1
81.03455	4.3
93.07078	1.7
95.05032	8.2
98.22697	2.5
107.05050	2.5
109.06580	4.1
141.01762	2.4
163.11145	1.6
173.09654	1.6
175.11264	5.9
189.12868	4.0
191.14427	57.6
192.14716	3.1
243.17581	8.5
245.15492	2.7
261.18594	87.8
262.18927	4.8
287.16504	7.0
305.17569	100.0
306.17911	6.6
323.93719	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	305.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74490	3.5
57.03446	31.9
59.01376	12.3
61.98831	3.7
65.39839	3.3
70.88719	5.6
72.47121	2.9
83.11608	3.5
98.31292	3.4
116.58801	3.1
119.08672	11.5
124.05267	3.5
124.80948	3.1
126.90474	3.6
135.08147	4.2
141.01706	7.8
146.86710	5.4
185.13310	5.2
243.17564	6.5
249.15021	5.8
249.34885	3.5
261.18600	12.8
305.14169	7.7
305.17566	100.0
306.17880	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	305.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27111	0.3
69.53529	0.3
71.44327	0.4
83.05041	0.5
83.52771	0.3
102.99284	0.3
109.87014	0.4
133.83720	0.3
186.80298	0.4
205.12381	0.7
242.66698	0.4
259.20660	1.6
261.22321	0.7
287.20364	0.3
301.98669	0.4
305.21210	100.0
306.21561	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	305.2122
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
59.01370	5.6
61.98825	2.2
63.60037	0.8
67.66004	0.8
69.62659	3.0
69.63026	1.6
83.62790	0.8
84.15816	0.8
85.02949	0.9
103.71517	1.0
119.59364	0.8
127.86987	1.2
141.01755	1.6
162.83865	0.9
170.88396	1.0
171.88905	1.3
305.08218	1.8
305.21210	100.0
306.21466	10.6
308.16211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2121
Annotation	Havardic acid F
Peak:m/z	Relative Intensity
51.17502	0.5
58.24789	0.4
58.65179	0.5
59.01373	0.6
69.50289	0.5
69.50632	2.3
70.16328	0.5
71.49153	0.5
74.93562	0.4
80.79447	0.5
83.05023	1.5
104.65314	0.5
107.97054	0.5
141.01740	0.7
141.10255	0.6
168.10333	0.9
211.63766	0.5
218.57397	0.7
244.20662	1.3
261.22260	9.0
262.22638	0.6
270.18762	1.5
288.19742	5.0
289.20313	0.7
305.21204	100.0
306.20953	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	305.2485
Annotation	5(Z),8(Z),14(Z)-Eicosatrienoic Acid
Peak:m/z	Relative Intensity
54.55338	3.0
59.01387	5.3
70.30827	8.6
75.22573	3.1
84.78384	3.1
88.02182	3.3
138.58035	3.1
305.07883	4.2
305.24872	100.0
306.25253	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	306.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37827	0.5
61.98830	100.0
70.94259	0.4
74.98641	0.4
78.95907	0.6
86.29490	0.4
111.76195	0.5
130.66006	0.4
148.04405	0.9
159.19263	0.5
238.55608	0.4
306.03348	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	306.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60095	1.9
53.06186	1.9
58.02971	4.5
59.01382	12.8
70.02970	8.1
71.01373	2.1
72.00909	20.2
77.70906	1.8
78.95897	3.4
87.92536	2.1
96.00937	9.9
96.96052	2.7
103.92017	7.8
108.43787	2.1
113.03611	4.9
114.01966	13.1
119.05019	2.2
123.90176	2.2
126.00426	1.8
127.87073	9.5
131.04617	4.4
141.99466	3.2
144.87332	11.8
145.75867	2.2
146.06120	23.0
147.04526	57.1
147.05632	4.3
148.04909	2.2
148.91026	2.5
150.90692	2.9
164.07167	100.0
165.07524	3.9
171.94754	2.1
172.01006	16.1
191.36954	1.9
217.09891	3.5
243.53857	1.8
264.07416	3.0
267.94455	4.2
269.94168	4.7
288.13614	28.6
305.91916	3.7
306.08398	59.6
306.14392	26.0
307.08627	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	306.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10757	2.8
55.23976	3.1
58.02968	11.4
59.01384	6.7
61.98833	3.8
62.22254	2.8
70.02977	34.7
70.63561	6.5
72.00910	7.4
78.95913	3.9
79.86117	3.4
87.92522	3.3
96.00916	45.3
96.96022	5.7
98.01254	7.7
98.96763	3.2
103.92027	14.3
113.03581	12.7
114.01970	65.2
119.05034	13.3
125.89901	6.0
127.87056	25.1
131.04617	16.8
141.91249	4.4
141.99446	11.7
142.97849	3.7
143.90976	4.6
144.87326	32.8
146.06116	81.0
147.04555	18.2
148.90962	3.6
150.90712	6.0
159.86032	4.7
164.07167	36.5
165.07463	3.2
172.00958	4.6
172.07755	6.1
176.90569	3.6
182.05704	3.8
215.88632	7.2
217.09822	14.0
217.13487	3.0
243.07867	6.9
267.94482	12.5
269.94116	9.7
276.66968	3.2
288.13531	100.0
289.13916	5.3
305.91867	13.6
306.08554	24.9
306.14581	94.4
307.08722	5.3
307.14944	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	306.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	6.2
64.86205	2.8
79.95725	3.9
80.02666	5.0
93.57197	3.2
96.96015	25.6
125.09728	19.8
137.09702	19.0
168.10297	13.3
171.10223	4.3
174.12860	4.8
185.11823	4.3
244.20734	20.5
245.18959	4.6
263.20081	3.8
270.18628	18.3
288.16809	5.4
288.19705	46.4
289.17929	9.4
289.20609	6.0
306.20795	100.0
307.15796	13.8
307.19131	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
61.07281	4.1
61.98822	9.8
64.97520	4.1
67.59115	4.0
87.16722	3.8
98.21885	11.8
122.68372	4.5
162.83954	4.4
211.13249	4.6
218.45726	3.9
244.20808	5.8
262.18405	4.8
270.18372	6.0
276.20944	6.9
288.19751	27.4
303.42841	4.6
306.20786	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	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96690	0.3
70.96127	0.3
74.99072	5.6
91.02215	3.0
93.00121	1.1
98.22058	0.3
102.10760	0.3
116.36951	0.3
143.05325	0.6
149.00958	2.5
159.08467	7.5
161.06433	1.7
167.83412	0.3
192.98103	0.4
206.99686	1.0
209.01259	2.6
217.07225	0.8
223.02832	49.9
223.87962	0.3
224.02867	3.6
225.00723	0.3
275.06015	0.4
289.07590	1.8
291.09100	100.0
292.09241	10.3
307.12231	4.4
307.19193	0.4
308.12347	0.5
309.10129	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23475	0.4
59.96684	0.4
69.35020	1.3
74.99073	5.7
77.88854	0.3
91.02226	2.0
93.00121	1.7
103.91524	0.3
116.86192	0.3
118.81345	0.3
149.00943	2.1
159.08464	6.0
161.06410	1.6
192.22414	0.3
192.98137	0.9
206.99715	1.3
209.01241	2.7
217.07307	0.4
223.02832	47.7
224.02875	3.2
241.03835	0.6
275.06287	0.4
282.81381	0.4
289.07477	1.9
291.09097	100.0
292.09186	9.7
307.12268	3.9
307.19171	0.8
308.12357	0.4
309.10211	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43098	1.0
51.76176	1.0
54.54373	1.0
59.01376	100.0
60.04953	1.2
69.03430	1.2
71.01373	4.4
79.75980	1.0
85.02946	2.7
89.02444	5.7
101.02452	4.4
109.23260	1.1
113.02440	2.4
119.03488	2.2
119.04919	1.3
120.99641	5.3
121.02927	1.9
126.64889	1.3
135.04504	1.5
135.75557	1.2
138.05580	1.1
149.06088	1.5
162.05641	1.4
165.01094	2.7
180.03494	15.5
199.44458	1.2
201.67752	1.1
202.02925	1.2
202.73479	1.0
233.04381	1.4
263.03445	2.4
263.07260	6.8
271.38559	1.3
307.14032	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	307.14
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73883	0.7
54.23613	0.7
59.01378	84.3
69.03470	1.3
70.59171	1.6
71.01391	4.2
73.02931	1.7
83.01382	1.3
85.01712	0.9
85.02940	1.8
85.91898	0.9
88.04028	1.1
89.02440	2.4
101.02430	2.8
113.02448	3.8
119.03467	1.2
121.02918	1.4
123.03287	1.5
134.03723	1.3
138.05562	4.2
143.99097	1.0
145.08707	100.0
145.92381	0.9
146.09081	2.1
149.06010	1.2
161.02502	1.0
174.70242	0.9
193.35072	0.8
232.60338	1.0
233.04587	1.4
250.07274	1.3
307.13809	3.3
307.58685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1551
Annotation	Rudmollitrin
Peak:m/z	Relative Intensity
58.52587	2.8
59.01366	3.6
62.14016	2.4
65.67982	2.6
69.03477	3.7
71.43986	2.4
80.02634	3.3
95.05020	6.5
96.96023	6.3
99.92579	14.3
100.00560	2.3
107.05045	4.8
109.06558	3.1
118.89968	2.5
127.18698	2.9
135.08157	5.5
135.90257	8.6
148.00365	2.8
159.08191	3.0
163.11319	4.2
175.11275	3.9
189.12851	12.9
191.14432	49.9
192.14725	3.8
203.14404	3.2
219.17528	41.4
245.15526	3.9
247.02420	6.1
254.02675	3.0
255.64253	2.6
263.16504	100.0
264.16821	7.5
272.03589	5.6
290.00256	2.7
307.15512	91.1
307.18533	3.2
308.15744	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06955	2.1
57.03443	5.7
59.01372	7.4
69.25577	10.0
80.43754	2.1
81.03455	6.4
83.01400	7.7
83.05020	5.5
91.40489	3.0
95.05031	5.4
97.02959	4.1
97.06593	12.3
98.06935	2.5
98.21891	5.8
109.06587	4.4
109.91444	2.4
115.29395	2.2
121.06588	2.9
123.04507	11.0
123.08184	5.5
125.09715	23.0
135.08165	6.8
137.09752	15.2
141.12836	3.9
144.21593	2.6
149.06160	3.0
149.09700	2.4
154.00667	8.9
161.09711	2.8
163.11272	21.0
165.12888	2.4
171.10211	5.2
181.12309	6.8
185.11838	27.0
191.10722	3.7
191.14407	22.7
207.10283	10.5
209.11824	48.9
210.12146	3.4
225.11266	11.6
245.19104	44.5
261.18619	4.2
263.20035	5.0
271.17120	4.6
289.18073	100.0
290.18387	9.3
307.16177	1.9
307.19144	54.0
307.22552	3.1
308.19391	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88906	1.0
57.03439	2.3
59.01362	1.6
60.55479	0.9
62.99820	0.9
71.29756	1.0
74.12295	0.9
79.17501	1.0
82.90533	1.0
95.04992	1.1
103.60800	1.0
107.05016	1.0
107.08686	2.5
110.03735	4.1
121.06596	2.7
123.04546	6.5
123.08163	13.2
125.09695	1.6
139.11317	3.5
140.62738	1.0
142.02713	1.4
147.33025	1.0
149.06096	1.4
151.11272	5.1
155.14378	2.1
160.83432	1.0
163.11166	0.9
177.12846	1.3
179.10695	1.0
181.12424	1.2
185.11841	1.1
191.14447	1.4
199.09776	2.7
199.13406	26.6
200.13783	1.6
201.11362	0.9
221.11784	1.9
228.82919	0.9
233.15384	1.1
245.19078	12.7
247.17155	1.0
261.18616	1.3
263.20193	1.2
271.17053	2.6
289.18097	74.9
290.18372	6.7
307.19138	100.0
308.19409	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.8
59.01364	3.6
65.03963	3.5
69.41612	5.8
71.05025	4.3
74.39803	1.1
80.02676	4.6
81.03450	4.4
83.05082	1.6
88.65320	1.2
94.82139	1.3
95.05013	2.5
97.02949	1.8
97.06584	10.3
98.17576	1.3
101.84688	1.2
106.04269	1.5
109.06590	3.4
110.03654	1.2
119.08694	1.4
121.06601	7.4
123.04531	6.8
123.08181	2.6
125.09719	19.3
127.07623	1.2
135.08177	2.3
137.09738	19.3
141.12823	2.6
149.06131	1.9
163.11226	7.7
164.08429	1.8
165.12862	1.5
176.69025	1.5
177.12909	1.5
181.12343	1.5
185.11829	26.8
186.12146	1.4
191.14426	10.3
207.10220	5.8
209.11816	3.0
211.13432	3.8
217.15851	2.0
225.11296	5.7
226.11931	1.3
235.13326	6.5
245.19093	26.3
246.19476	2.5
271.16995	2.3
289.18106	100.0
290.18332	8.0
307.19138	69.2
308.19412	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	3.2
59.01376	1.5
59.34837	1.2
69.79894	2.7
69.80282	2.8
93.03419	1.3
95.05041	1.7
97.06581	3.6
99.08155	5.8
107.08672	16.9
109.06576	3.1
119.08643	3.4
123.04552	1.7
123.08150	5.1
123.34391	1.6
125.09727	14.7
137.09723	20.2
139.11285	1.8
141.09261	1.8
143.02849	1.2
155.10745	2.0
165.12720	1.1
171.10254	3.9
179.14360	1.9
181.12450	2.2
183.13818	1.9
185.11841	2.7
199.09787	18.9
199.13351	4.2
200.10587	7.0
207.10269	1.9
209.15401	2.2
213.11371	3.9
223.13416	15.2
229.14053	1.2
245.19141	16.0
263.20132	4.8
264.26010	1.2
265.18158	5.4
271.16995	2.9
279.19684	2.0
289.18137	33.1
290.18390	2.8
307.19153	100.0
308.19434	7.1
327.19000	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.7
59.01361	4.0
60.03143	1.4
60.87111	1.4
69.76562	4.3
71.05015	3.5
80.02663	2.3
81.03452	3.6
81.17463	1.4
83.05032	1.7
85.97620	1.6
95.05038	3.8
97.02943	6.0
97.06571	4.5
98.21906	1.9
98.39347	1.2
106.04218	1.5
108.02084	1.6
109.06579	2.7
111.08162	1.9
113.93283	1.2
121.06608	2.4
123.04517	3.3
123.08139	6.2
125.09725	1.4
137.09767	2.9
139.11266	2.4
149.09721	4.3
151.07640	1.5
151.11263	5.1
165.12839	2.6
169.12248	1.3
177.12909	1.7
185.11827	4.2
191.14383	5.3
199.13341	1.9
209.11781	7.0
217.15938	2.7
235.13391	3.8
238.11957	1.5
241.54376	1.3
245.11867	1.8
245.19102	42.7
246.19505	3.6
265.18130	1.9
271.16953	2.8
289.18097	100.0
290.15332	1.5
290.18420	7.6
307.19135	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84765	0.5
57.03448	5.8
59.01371	0.9
69.03458	3.0
69.25903	2.6
71.05032	2.6
103.50909	0.5
104.82887	0.5
109.06582	0.8
121.03064	0.5
121.06594	0.9
123.08156	0.7
125.09699	0.7
137.09712	0.9
157.10159	1.2
175.11273	0.6
177.12827	1.3
189.12767	0.5
191.14357	2.6
191.69429	0.6
193.15997	3.6
200.77292	0.5
206.50922	0.5
209.02649	0.6
219.17564	2.5
229.15912	1.1
245.19101	10.4
246.19411	1.3
247.09804	0.7
261.18594	1.4
263.20154	20.8
263.78006	0.4
264.20493	1.4
265.18085	12.2
265.20786	0.9
289.18112	6.1
307.19141	100.0
308.19470	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	307.1915
Annotation	14,15,-Bisnor-8(17)-labdene-16,19-dioic acid
Peak:m/z	Relative Intensity
57.03442	3.2
59.01375	1.8
69.03455	2.7
70.44707	1.6
71.05018	1.7
80.02673	1.9
81.03465	2.1
93.03429	1.0
95.05022	4.5
107.05002	3.5
109.06583	2.5
119.08676	2.6
121.06596	1.2
135.08151	5.7
140.84377	1.1
163.11301	1.1
175.11386	2.1
185.11803	1.4
189.12823	2.3
191.14404	20.4
193.16049	1.2
203.14395	1.6
217.16042	1.9
219.17532	35.5
220.17853	1.2
224.92424	0.9
229.15958	1.3
245.07922	1.3
245.19095	14.2
246.19418	1.2
247.17052	14.7
261.18533	4.4
263.20142	62.4
264.20480	4.9
289.18201	2.6
307.19138	100.0
308.19418	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.01349	1.0
63.25548	0.8
69.03440	2.8
69.71943	3.5
71.05017	1.2
82.99628	1.5
98.22559	1.9
99.04558	1.2
177.12820	1.3
191.14397	13.4
193.16017	1.1
219.17508	1.3
219.70721	0.9
243.17464	2.0
245.15482	1.3
245.19170	5.3
261.18576	9.3
263.20129	15.1
264.20554	2.3
289.18115	1.3
307.19135	100.0
308.16034	1.2
308.19287	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	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
56.57961	1.9
57.03452	3.4
57.94227	1.8
65.03967	63.5
65.07067	1.5
70.48943	2.9
71.05019	36.7
97.06593	71.4
109.06597	2.4
119.08686	10.7
119.09408	1.5
121.06606	100.0
122.06914	4.4
123.08156	3.5
125.09737	44.5
137.09708	5.4
140.90845	2.0
141.12856	3.6
169.08800	2.1
177.19174	1.7
185.11841	88.2
186.12251	3.5
193.73122	1.8
209.11830	36.1
211.13423	41.0
212.13681	2.5
235.13406	98.6
236.13618	4.2
289.18124	21.6
307.19138	29.5
308.19522	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.2
58.00578	5.8
59.01378	2.2
61.86805	1.6
65.90736	1.5
69.57128	5.7
85.02947	4.7
88.34833	1.5
109.06630	1.5
150.48842	1.9
159.87759	2.0
179.03548	1.6
197.11848	2.8
217.12068	1.6
231.17595	2.0
233.19019	16.4
245.19159	3.4
261.18616	4.4
263.20166	58.3
264.20325	2.7
277.17920	1.6
289.18164	2.9
307.19144	100.0
308.19525	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03285	1.6
55.01868	4.0
57.03453	3.9
58.83093	1.7
59.01394	2.4
62.74378	1.7
65.03964	63.4
69.71839	3.4
69.72229	4.1
71.05021	37.6
80.09642	1.7
83.05003	3.7
87.19589	1.9
89.18262	1.6
95.05001	2.4
97.06593	73.6
98.22607	2.1
105.07001	1.9
119.08659	8.4
121.06600	100.0
122.06933	2.3
123.08153	2.3
125.09734	42.3
136.85284	2.1
137.09706	4.4
141.38565	2.1
157.69315	1.6
163.11116	2.0
165.12970	1.7
176.74763	1.6
185.11830	83.4
186.12134	3.5
205.58575	2.2
209.11836	35.6
211.13406	35.3
233.15485	2.7
235.13390	95.7
236.13782	5.2
244.12303	1.9
289.18130	19.2
307.15833	3.0
307.19156	36.1
308.19373	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61213	3.1
57.03448	3.3
59.01361	9.3
69.03478	3.0
69.39801	10.4
71.05030	2.9
73.02933	4.1
83.05016	3.8
84.02143	3.2
85.06586	2.8
95.05010	10.3
97.06599	3.5
98.22598	5.7
100.35940	2.7
107.08675	15.9
113.06090	14.9
119.08678	2.8
123.08091	3.6
125.09709	10.1
137.09666	7.6
151.11362	3.3
171.10149	4.6
199.09755	19.5
200.10533	8.1
211.13376	4.2
213.11290	6.3
233.15495	6.8
245.19162	22.7
263.19989	7.9
289.14890	4.3
289.18100	62.9
290.18393	4.8
307.15851	4.0
307.19104	100.0
308.06940	2.9
308.19437	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	307.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39824	2.1
53.33118	2.4
55.01882	3.2
57.03434	4.1
59.01374	6.7
59.64422	2.1
60.17897	2.8
61.98824	2.8
65.03963	36.7
70.30109	4.9
71.05020	31.2
79.29116	2.4
79.44191	2.3
83.05015	3.0
97.06585	45.1
119.08678	6.8
121.06584	57.8
125.09692	26.0
137.09692	4.2
185.11813	51.7
209.11864	23.0
211.13396	19.0
235.13376	71.8
236.13669	3.5
263.20169	9.4
289.18143	15.2
307.19125	100.0
308.19461	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	307.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	3.1
59.01365	2.2
71.05030	1.9
73.02934	2.3
80.02671	1.9
81.03451	2.2
83.05026	2.5
84.02148	1.6
90.23332	1.2
93.40550	1.3
95.05016	5.4
97.06580	4.5
98.21790	3.2
107.08672	14.4
109.06609	1.7
110.25748	1.7
111.08172	3.4
113.06095	5.7
113.09710	3.6
119.08698	2.3
123.08166	3.1
125.09714	13.6
130.62331	1.4
131.05089	1.5
135.04529	1.8
135.08182	1.7
137.09724	11.3
149.09738	7.1
151.11281	9.4
162.58554	1.4
165.12901	2.2
171.10245	5.0
171.67445	1.3
181.12271	2.0
183.13896	2.2
185.11815	2.3
187.11119	1.5
193.08698	2.2
199.09743	13.5
200.10542	3.9
209.11859	14.9
209.15578	2.0
211.13455	3.0
213.11269	3.0
217.15843	1.8
223.13364	5.1
233.15454	3.5
245.19095	13.3
263.20163	5.0
265.18103	3.2
266.73514	1.5
271.16946	2.4
289.18112	34.8
307.19150	100.0
308.19363	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	308.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71926	0.8
59.01379	3.1
61.86877	0.8
61.88099	0.8
69.50088	2.7
69.50429	1.7
85.02919	1.2
87.00896	1.4
95.05012	1.5
102.05608	36.6
105.03442	4.1
108.31046	0.9
112.98785	1.2
117.56287	1.0
119.04977	1.7
120.05345	1.2
123.04485	2.3
128.03537	54.5
129.01942	1.2
129.03796	1.2
133.02959	25.2
134.03758	7.7
135.04521	43.2
136.04848	1.3
146.04590	100.0
147.04819	1.5
148.05319	1.5
149.06084	8.3
150.06445	0.9
161.02443	39.0
172.02502	8.4
177.01901	7.9
179.03604	5.0
189.10812	1.0
220.09767	1.3
264.08585	3.2
308.07751	24.9
309.07983	2.0
309.14484	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	308.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01728	1.2
69.91856	1.4
69.92184	0.6
71.01379	1.4
101.02416	0.6
115.68598	0.5
125.46750	0.6
129.86697	0.7
161.04492	1.6
178.43512	0.7
181.89359	0.5
245.89334	0.6
269.88477	0.5
282.64127	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1869
Annotation	6-Hydroxynobiline
Peak:m/z	Relative Intensity
53.08875	1.5
55.41434	1.4
57.03452	1.9
57.25100	1.5
61.98822	1.8
71.17609	1.9
71.67683	1.5
194.09641	1.7
219.17528	5.2
220.17834	2.1
246.19473	5.0
257.53625	1.6
264.20496	10.5
265.18085	100.0
266.18427	9.2
298.01016	1.6
308.19495	50.6
309.20572	6.7
315.14322	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	308.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	5.3
61.98819	6.9
62.05664	4.5
65.59769	4.9
97.33936	5.4
99.20731	5.5
102.79045	5.2
152.08502	7.5
168.10352	9.0
176.94592	4.9
187.75420	5.8
209.15524	10.6
220.13443	7.2
246.22260	12.3
272.20193	9.5
290.21298	56.5
291.19598	16.9
291.22299	8.1
308.19641	7.7
308.22363	100.0
309.17038	21.5
309.20569	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	308.9422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.4
67.01897	4.5
69.21024	1.3
69.21420	2.0
71.01377	2.0
72.99295	0.8
78.89805	0.7
78.95918	3.6
85.02951	20.1
85.03465	1.0
87.00872	0.8
89.02450	1.7
92.92813	1.0
94.92525	1.1
96.96967	2.2
101.02446	1.4
110.89946	0.8
111.00883	100.0
112.01233	2.3
112.89648	1.0
113.02438	0.8
115.00407	0.9
128.03522	2.1
129.01939	13.4
133.01387	1.1
133.02968	4.7
134.94453	0.9
136.98767	2.0
138.78748	0.7
148.96445	1.0
166.97516	84.4
167.97835	1.6
172.89897	1.8
173.00946	5.4
177.01898	2.0
188.96362	1.1
192.95467	5.7
210.96500	59.8
211.96873	1.2
218.52280	0.7
232.94728	3.2
248.92125	2.9
264.95270	2.2
308.94305	0.8
309.11935	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	308.9419
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.9
67.01884	4.0
71.01380	1.9
73.02946	1.3
78.95895	2.3
84.02193	1.0
85.02951	32.7
90.33640	0.9
90.97179	1.1
92.52781	0.9
96.96003	6.1
96.96960	1.5
99.00880	1.5
105.03458	3.0
111.00884	100.0
112.01228	2.4
112.98811	1.1
117.01928	3.7
123.04536	1.2
129.01950	26.5
132.98209	0.9
133.02963	18.2
136.98804	2.8
156.98264	1.2
159.79890	0.9
159.81104	1.1
166.97525	80.6
167.97867	1.0
173.00908	7.8
173.35832	1.0
177.01909	8.3
184.97719	4.0
188.96268	1.3
192.95444	4.6
210.96506	52.5
211.59653	0.9
211.96797	1.7
212.98900	2.1
220.02521	0.9
228.96661	1.1
246.93181	2.8
248.92087	3.4
264.94513	3.6
282.95377	1.8
308.93323	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0065
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79408	0.5
59.01373	3.9
60.01220	0.5
61.98829	3.8
62.97927	0.5
83.60953	0.5
122.93073	1.5
123.00504	2.9
124.98431	42.7
125.98512	1.8
136.93982	0.6
136.96767	1.4
138.96465	0.5
164.96353	2.7
165.92268	2.4
165.95763	0.7
166.56021	0.6
166.92041	11.1
166.96030	2.1
166.99477	100.0
167.92047	1.2
167.99585	5.9
176.98111	5.1
177.98244	1.2
178.97821	1.4
182.26625	0.5
195.98349	0.6
229.60320	0.6
250.22069	0.5
280.15027	0.5
308.94034	1.8
309.00644	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85217	0.7
57.55773	0.8
59.01371	2.1
71.01385	22.7
71.48872	1.1
85.02945	2.9
89.03959	2.4
93.00111	0.7
96.39451	0.8
105.03444	1.1
115.00380	8.2
117.03477	6.9
132.04523	1.1
133.01416	1.3
133.02959	5.4
134.03745	82.0
134.97063	0.7
135.04176	2.5
147.02977	1.3
149.06076	7.4
161.02574	1.1
177.01920	3.1
178.02708	6.0
179.03438	3.6
185.24918	0.7
193.05054	100.0
194.05414	4.4
211.04912	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0953
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	52.3
59.29629	3.2
61.98800	4.0
69.41029	15.0
71.01347	4.4
78.95924	4.8
85.02913	5.9
90.86646	3.3
96.95988	7.6
111.00842	4.2
129.02074	3.8
134.03732	5.6
134.04732	100.0
152.91721	5.4
166.92020	10.4
176.98126	4.7
244.62752	3.8
246.92482	3.7
282.62222	3.6
308.93109	4.1
323.63782	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.3
73.79541	0.9
74.99058	0.9
96.96978	0.9
101.02465	1.4
102.72193	0.9
107.05096	1.0
108.02162	2.5
123.34672	1.1
133.02963	3.3
134.03740	96.2
135.04601	7.8
136.01675	19.0
146.02451	1.6
146.22935	0.9
147.03253	2.6
147.04482	1.5
148.05313	21.0
149.06078	100.0
150.06371	4.5
159.07677	1.4
160.04047	2.3
176.99338	1.0
177.01817	1.1
178.05101	4.8
179.02177	0.9
190.05165	7.0
220.06140	3.3
246.92686	1.1
250.96509	1.4
293.11368	2.7
294.12137	2.1
309.14545	37.3
309.97766	5.0
310.09396	3.2
310.14941	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	309.1708
Annotation	Mairetolide C
Peak:m/z	Relative Intensity
52.85278	0.6
53.46146	0.5
58.27429	0.5
59.01340	2.1
69.03404	0.6
69.93068	1.1
69.93426	1.1
71.01343	2.0
73.02891	0.8
87.81129	0.6
96.01785	0.5
97.77617	0.5
99.92548	1.8
113.02358	0.9
115.92033	0.8
116.92783	2.4
121.10185	0.7
163.11269	0.6
173.13252	0.9
224.76100	0.5
231.13849	3.9
247.17023	100.0
248.17317	6.7
259.75186	0.6
265.18115	0.9
297.27496	0.6
309.04330	1.6
309.13382	1.3
309.17096	26.8
309.20566	1.6
310.17435	1.2
327.18155	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	3.7
59.01377	4.0
61.98806	2.9
70.48376	4.0
70.48701	3.4
71.05014	4.3
73.02969	2.8
76.17346	3.0
86.83569	2.5
95.01385	9.4
96.95995	2.7
97.06600	6.9
99.00879	100.0
99.01534	4.8
117.01980	5.1
137.09653	4.2
151.03967	3.7
151.07655	4.9
152.08405	13.2
153.09177	3.5
167.10771	11.9
168.85124	2.3
171.10242	10.6
185.11748	2.4
190.09947	5.1
207.13811	5.5
208.11063	11.8
209.15451	42.8
210.15834	3.6
211.13379	6.6
251.16484	3.8
259.47794	2.7
265.18045	9.3
291.08978	7.0
291.19653	33.8
309.17020	23.6
309.20663	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86561	2.3
59.01371	6.1
69.03443	5.0
69.68678	3.4
69.69039	7.9
71.05034	6.2
97.06535	2.7
100.09029	2.2
107.47279	2.8
111.08159	30.5
125.09692	2.7
137.09726	6.7
152.08446	10.6
168.91385	2.5
169.12329	8.6
171.10289	13.9
179.10901	2.6
181.12357	4.3
183.13873	3.8
195.13907	5.8
197.11827	100.0
198.12187	5.1
199.13399	3.2
201.11263	2.8
209.15469	52.6
210.15923	2.6
211.13394	15.6
221.15430	5.6
223.17078	17.9
225.14949	34.1
233.15440	10.7
251.16486	32.2
252.16922	3.7
263.20050	5.6
265.18069	5.9
273.18552	7.8
291.19650	52.9
292.19971	3.6
309.17099	11.1
309.20663	80.6
309.24210	6.7
310.20914	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.9
67.01874	0.8
69.03442	3.8
71.05017	2.1
80.02676	0.8
82.84525	0.9
83.05027	3.1
85.02946	0.9
95.01395	1.4
97.02953	17.2
97.06592	2.5
99.00896	7.0
108.12820	0.8
110.03796	0.9
111.00888	1.5
111.08160	2.8
113.09717	7.3
119.08665	5.4
123.00902	0.9
123.04559	1.1
125.09721	1.9
127.11263	0.9
135.08147	1.0
137.06075	1.0
137.09717	10.6
141.80685	0.8
149.09776	1.8
151.04012	21.7
151.07640	10.3
152.08430	55.8
153.08990	2.0
163.11191	0.8
164.67563	0.8
167.10735	1.2
170.42252	0.9
171.10268	29.5
172.10619	1.3
183.10384	0.9
183.13889	2.5
184.07373	3.6
185.11815	4.9
190.09981	3.7
193.08665	3.4
193.12328	1.1
195.10268	13.0
195.13855	1.3
196.10497	1.0
197.11874	1.5
201.11302	2.0
208.11058	4.3
209.15457	52.9
210.15817	3.8
211.13329	1.0
213.11484	1.0
221.11874	2.5
233.15518	3.0
239.12778	1.1
245.93700	1.0
247.16948	2.8
247.20734	1.8
251.16504	2.6
252.10037	8.9
265.18021	11.5
266.18546	0.9
273.18607	3.4
291.16058	3.4
291.19577	25.4
292.20020	2.4
305.62323	0.9
309.17023	100.0
309.20688	62.2
310.17322	7.8
310.21075	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01844	0.5
57.03440	1.7
59.43328	0.5
63.38207	0.5
70.75259	1.1
71.01389	0.6
71.05017	0.6
83.05031	0.7
97.06596	0.7
99.00862	0.8
109.06563	1.0
111.08148	2.5
125.09678	0.8
127.07673	0.8
127.11292	1.8
141.09247	0.6
151.04002	1.0
151.11288	1.3
152.08391	1.9
153.09142	0.9
153.12878	4.4
155.10759	2.0
163.11229	0.5
165.12909	0.7
167.10742	1.9
169.12276	1.1
171.10263	0.7
179.10820	1.0
179.14381	2.4
181.12370	2.7
193.15944	1.0
197.11836	2.9
199.13422	1.3
200.10455	0.7
207.13864	2.7
209.15466	2.6
215.12900	0.9
226.11952	0.9
228.13719	1.1
247.20638	5.3
263.20023	0.6
265.18063	0.7
265.21628	1.1
273.18573	1.9
281.21216	1.3
291.19659	35.1
292.20007	2.6
309.20697	100.0
310.21011	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82086	2.6
59.01348	7.4
69.03465	4.3
70.75620	2.9
79.15484	2.6
80.55327	2.4
100.66422	2.6
119.08646	22.7
121.10217	2.6
125.09701	6.7
137.09708	31.6
151.03938	3.6
152.08394	9.3
153.09192	4.1
155.10742	4.5
167.10767	3.3
171.10260	100.0
172.10606	5.5
183.10196	8.6
183.13882	3.2
185.11823	25.1
186.12228	2.7
195.13942	2.7
197.11818	12.4
197.15390	2.9
201.11279	7.3
207.13826	4.0
209.15411	6.6
211.13293	5.7
213.11412	13.1
225.14948	36.6
229.19588	4.9
251.16458	10.9
263.20016	2.9
273.18655	12.5
291.19632	40.6
309.17047	15.2
309.20630	96.8
310.17331	3.2
310.20892	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64193	1.5
57.03447	4.0
59.01360	1.6
62.90485	1.7
71.05022	18.0
71.07368	2.0
90.96289	1.5
94.15270	1.8
97.06599	5.7
103.40459	1.5
107.05029	2.9
115.42270	2.1
121.10249	12.9
123.08154	3.2
125.09705	10.9
137.09732	16.2
171.10271	46.9
172.10562	1.7
185.11850	18.3
197.11789	2.5
207.13873	2.7
219.13823	3.6
235.17117	3.2
237.14919	4.4
247.20619	3.0
251.16510	46.8
252.16798	2.0
273.18549	2.7
291.19675	97.7
292.20004	7.9
309.20715	100.0
310.21011	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74815	1.3
57.03449	2.3
59.01370	4.6
60.76390	1.1
61.98821	1.5
69.28792	5.8
69.29189	2.5
71.01344	1.2
71.05020	14.6
72.38538	1.1
97.06598	5.0
97.48083	1.4
98.21806	2.4
107.05041	3.1
120.67123	1.6
121.10237	9.3
122.02702	1.5
123.08206	1.5
125.09721	9.2
131.64580	1.3
133.02975	1.9
137.09729	19.8
141.12859	2.1
147.08221	1.3
171.10260	48.5
172.10614	1.7
185.11845	17.4
197.11844	2.9
207.13911	1.3
209.11775	1.6
211.13353	1.9
219.13821	2.4
235.17072	1.7
237.14980	3.5
247.20647	2.3
251.16521	40.8
251.19160	2.2
252.16971	3.0
273.18604	1.4
291.19669	98.8
292.19913	7.9
297.89120	1.6
308.27246	1.6
309.20697	100.0
310.16782	1.3
310.21027	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52472	1.6
57.03438	4.2
59.01374	4.9
66.66339	1.7
69.15927	4.2
69.16343	9.1
71.05020	34.8
72.05376	1.8
75.53838	1.7
76.49044	1.7
79.29652	1.6
83.05016	1.9
90.09959	1.7
95.04990	1.9
97.06586	12.3
98.22677	4.3
100.75341	1.6
106.41930	1.7
107.04986	3.4
119.08685	2.8
121.10226	8.6
123.08133	2.2
125.09725	8.8
127.11341	3.1
135.08179	2.3
137.09731	34.8
138.10123	2.6
141.12811	2.3
163.46350	1.7
171.10265	89.5
172.10509	2.4
173.21861	1.9
185.11859	15.4
191.18079	2.1
195.13956	1.9
197.11882	2.9
207.13895	4.8
219.13959	2.2
233.15404	2.9
235.17162	3.2
237.14983	6.3
247.20752	2.9
251.16505	28.2
273.18542	3.2
291.19647	100.0
292.19955	6.5
309.17044	4.9
309.20697	96.6
310.21036	8.6
317.86905	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23763	1.7
59.01385	3.9
59.11431	1.7
66.84010	1.9
69.03467	4.4
70.88688	2.4
82.15937	1.7
93.03439	2.0
97.79366	1.9
107.08639	2.1
116.57720	1.7
119.08682	16.9
121.10249	2.2
125.09716	5.9
127.11240	3.2
135.08197	2.8
137.09741	29.4
149.67860	1.6
151.11273	3.2
152.27280	2.0
155.10754	4.9
165.12753	1.8
167.10733	4.4
171.10268	100.0
172.10527	3.6
183.10283	6.1
185.11832	26.0
196.16812	1.7
197.11790	3.3
201.11356	5.0
211.13362	1.9
213.11401	9.4
225.15042	2.4
229.19669	2.7
234.73882	1.9
251.16612	2.4
273.18674	10.1
291.19687	39.6
292.19989	2.7
309.17139	6.7
309.20633	44.5
310.17773	2.1
310.21048	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77444	1.1
53.79214	1.1
57.03442	1.5
69.03450	1.6
85.02918	1.3
97.02950	20.1
98.08600	1.0
104.84937	1.0
109.06572	1.3
110.03633	1.4
123.04531	2.7
125.09756	1.4
135.02942	1.3
137.09729	4.4
151.11278	3.3
171.10260	7.4
177.12891	1.8
185.11743	1.7
195.13902	4.6
211.13461	1.2
221.11957	5.1
221.15346	1.2
236.85959	1.0
237.08476	1.1
239.12906	2.8
240.13521	1.6
247.20715	6.1
251.16602	1.8
273.18561	1.9
291.19666	100.0
292.20111	7.3
309.20718	73.7
310.21121	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	309.207
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.2
59.01359	4.1
62.14720	1.5
71.01390	2.1
71.46352	1.8
83.05029	2.4
89.63314	1.6
97.06573	2.5
99.00858	3.5
123.04517	3.0
123.08151	3.7
125.09703	6.7
133.02888	3.5
137.09639	2.4
139.11276	3.6
151.03975	4.2
151.07648	4.8
151.11258	4.5
152.08423	14.0
153.09053	2.7
155.10893	2.8
163.11290	3.5
165.12794	3.6
170.35506	1.6
171.10228	3.5
193.15921	1.8
195.60402	1.7
199.09605	2.6
209.11781	7.3
209.15428	12.1
212.64543	2.1
217.81700	1.8
219.17253	2.3
247.20699	9.3
252.09915	2.7
265.21637	4.4
291.19669	99.1
292.19980	5.2
309.17035	20.1
309.20605	100.0
310.10574	2.1
310.20941	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	3.8
58.00563	1.7
58.79028	1.1
59.01371	1.7
67.41482	1.5
69.80001	2.8
69.80363	2.5
71.01378	1.5
76.96590	1.2
80.02675	10.5
84.02173	1.4
97.06571	3.9
98.22607	1.3
111.08090	1.8
123.08176	17.6
125.09726	16.3
127.11285	5.7
137.09718	13.4
139.11269	5.5
141.09181	2.7
141.12845	1.5
146.94496	1.2
151.07974	1.4
152.08421	2.4
153.09195	2.7
153.12737	1.3
155.09535	2.9
155.10783	48.9
156.11208	1.7
167.10738	6.5
169.12341	1.6
171.10271	91.5
172.10638	4.2
180.48483	1.1
184.11040	1.7
185.11833	100.0
186.12157	3.3
193.15945	1.3
209.15404	1.7
212.10553	6.3
247.20682	5.2
251.20018	1.4
255.78580	1.2
263.20139	7.7
265.21616	5.1
281.21201	15.0
282.21497	1.4
286.29401	1.5
291.19662	37.7
292.19928	3.0
300.56180	1.4
309.17236	3.4
309.20691	46.5
310.21024	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01884	4.1
69.79803	7.6
71.05019	3.8
80.02693	15.3
81.03450	5.8
83.05031	38.5
84.02166	20.3
95.05048	4.2
97.06548	3.8
98.22615	2.1
99.08174	12.3
109.06604	5.2
110.03684	2.9
111.08068	2.3
112.56744	2.4
113.09804	2.7
115.07646	5.8
119.08621	2.5
123.04543	3.5
123.08210	3.5
125.09705	9.1
127.11294	7.9
135.08177	3.1
137.09740	72.9
139.11322	13.1
151.11288	6.1
153.09187	7.9
155.10783	63.9
163.11386	2.3
165.12852	2.8
167.10799	9.5
171.10272	71.8
172.10687	2.8
175.11223	3.5
183.19200	2.5
193.12360	32.3
195.13878	2.4
203.14450	2.6
209.11827	3.0
211.13390	7.1
247.20665	7.8
261.74527	2.1
263.20212	7.5
265.21719	6.2
281.21338	3.2
291.19681	100.0
292.20074	9.0
309.20724	90.2
310.20987	9.2
330.49295	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	309.2071
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
50.11301	6.3
59.01385	14.4
63.25299	7.1
69.93021	6.8
71.44930	7.4
72.52023	7.1
76.38036	7.0
79.04173	7.1
80.02676	12.0
96.46027	6.6
96.96033	26.2
99.00928	12.6
100.34901	6.2
123.08198	16.8
125.09736	16.6
137.09720	17.3
151.03963	14.9
151.07655	14.4
152.08417	35.5
155.10767	38.1
167.10744	8.5
171.10260	84.2
185.11836	80.2
209.15477	33.4
239.00049	7.2
247.20665	12.4
265.18109	12.5
271.80002	7.4
291.19650	39.6
293.09094	10.8
309.17154	100.0
309.20737	57.1
310.17636	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94445	1.5
52.29478	1.4
52.87365	1.3
57.03441	2.2
59.01373	4.9
69.03448	4.4
69.74111	4.6
69.74461	1.6
71.05020	3.7
75.15929	1.5
77.90750	1.3
79.66825	1.6
79.83492	1.3
83.04982	1.6
85.02914	1.6
97.02953	12.6
100.48064	1.5
111.08142	2.1
121.10216	4.2
121.88177	1.6
125.09688	4.8
137.09755	8.6
165.12831	1.8
171.10266	20.5
174.15549	1.5
179.10693	1.7
183.13756	1.8
185.11789	5.7
195.13879	10.0
207.17511	4.4
211.13388	16.0
221.15408	2.5
223.17047	14.4
225.14929	2.1
233.15442	10.9
251.16518	62.2
252.16843	3.2
273.18735	2.3
291.19675	66.7
292.19986	6.5
309.20694	100.0
310.21078	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.7
59.01366	3.2
61.98820	1.3
69.03439	2.2
69.06309	8.0
71.05030	2.0
80.02647	3.1
81.03437	4.7
83.01366	8.2
83.05014	3.6
92.92778	1.4
93.24158	1.4
95.05025	2.0
97.06579	3.5
111.37254	1.3
123.04490	4.1
123.08131	3.5
125.06078	2.8
125.09723	9.9
129.09248	1.4
135.08179	2.0
137.09689	2.2
139.11290	10.4
141.09250	1.9
148.62166	1.2
151.04059	1.2
151.11275	1.8
152.08437	3.7
155.09627	1.5
155.10802	3.4
155.76569	1.2
163.11298	8.8
165.12852	13.4
167.10756	4.5
171.10208	8.8
181.12321	3.5
185.11809	5.7
188.95624	1.3
191.10730	5.2
193.15984	5.0
209.11826	54.0
209.15364	3.8
210.12027	2.2
211.13293	1.6
247.20619	11.8
251.47958	1.5
265.21555	4.1
273.18588	3.3
281.21216	2.6
281.46277	1.4
291.19662	100.0
292.20038	8.2
309.17099	6.5
309.20645	42.7
310.20990	2.5
314.88184	1.3
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
54.82996	2.8
59.01371	10.0
64.79234	2.6
96.04173	3.6
125.09721	6.4
151.15506	3.0
171.10274	4.4
195.80794	3.1
199.09756	4.7
200.10567	7.0
201.11296	2.7
247.20531	4.3
291.16544	3.7
291.19635	20.2
309.16974	5.5
309.20691	100.0
310.21170	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	309.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01358	1.2
66.02831	0.6
73.86966	0.6
88.30785	0.7
97.06599	1.1
102.17907	0.6
110.81919	0.7
113.97318	0.6
121.10236	1.3
123.08169	1.3
125.09720	6.2
126.67439	0.7
127.11308	1.1
127.46661	0.7
130.20078	0.6
131.55426	0.6
137.09705	1.7
141.09225	1.8
153.09187	2.0
154.09543	0.7
155.10822	1.2
171.10272	5.0
183.13882	1.2
185.11882	1.0
199.09723	5.2
200.10553	6.5
201.11363	5.6
213.11339	1.0
247.20633	5.6
263.20215	0.7
265.21722	1.5
273.18579	1.0
281.21555	0.7
291.19681	11.3
309.20715	100.0
310.21072	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62687	1.1
57.03435	3.0
59.01364	4.3
62.59035	1.2
67.01880	2.0
71.05012	3.1
79.95737	1.7
80.02673	12.6
81.03458	3.1
83.05029	27.5
84.02174	10.1
95.05058	1.5
96.96008	16.0
97.06573	5.6
99.00894	1.8
99.08146	5.4
109.06590	2.9
111.08158	2.2
113.09716	2.7
115.07635	4.8
123.04517	2.6
123.08145	1.5
125.09692	4.9
127.11278	6.3
135.08209	1.2
137.09723	50.4
138.10081	1.4
139.11290	13.1
151.03993	2.2
151.07625	1.7
151.11244	3.5
152.08377	7.1
153.09215	8.3
154.09966	1.9
155.09538	2.8
155.10785	47.3
156.11111	1.5
165.12860	1.6
167.10789	3.0
169.12308	1.4
171.10277	59.7
172.10684	2.1
175.51010	1.2
183.13864	1.8
185.11855	1.3
193.10657	1.7
193.12326	26.5
209.11795	3.1
209.15431	6.6
211.13405	5.5
247.20642	5.7
263.20111	4.4
265.18237	2.4
265.21738	5.0
273.18607	1.9
281.21359	1.7
291.19669	77.1
292.20026	6.2
309.17181	21.5
309.20651	100.0
310.20941	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	309.2073
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
53.91633	1.0
59.01375	1.4
61.98829	1.4
64.35245	1.0
69.36344	2.1
69.36729	3.1
79.95759	3.0
89.95177	1.0
92.92780	1.6
95.95252	1.7
96.96017	34.6
97.06612	1.9
98.22679	1.4
121.03008	1.3
122.97567	1.4
125.09731	5.0
141.09219	2.6
151.03944	1.9
151.07649	1.6
152.08441	4.8
153.09296	2.0
155.10843	1.4
160.16121	1.1
160.74431	1.3
171.10249	2.7
199.09680	2.0
200.10591	1.6
209.15460	5.2
213.15173	1.2
242.46725	1.3
243.64206	1.1
247.20589	1.7
247.94437	1.1
252.10231	1.4
265.17838	1.3
273.18661	1.8
291.19696	7.6
309.17325	43.4
309.20746	100.0
310.17651	3.5
310.21082	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24768	1.2
57.03458	1.4
59.01362	4.7
69.03468	1.4
70.75106	1.4
71.05013	15.5
74.24781	1.4
81.03502	2.2
82.33346	1.3
97.06577	4.2
107.05073	1.6
121.10236	4.1
125.09699	5.6
128.41936	1.2
137.09726	15.4
141.40320	1.6
147.08125	1.6
155.52081	1.3
171.10268	50.0
172.10568	2.0
185.11897	9.2
219.13892	2.7
237.14833	2.6
251.16525	20.3
291.19662	66.0
292.20053	4.9
309.20712	100.0
310.21088	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	309.2435
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
59.01373	4.4
70.51301	2.6
83.05017	2.2
83.86069	1.7
84.41438	1.3
90.62446	1.5
96.96012	14.5
99.00900	2.5
113.09719	3.3
151.03979	2.8
152.08405	6.5
179.14398	12.2
186.31122	1.5
209.11879	2.0
209.15430	8.8
265.18277	1.9
275.20193	1.7
277.21744	54.4
278.21976	5.0
291.19504	3.2
309.17334	26.3
309.20837	7.3
309.24310	100.0
310.17490	1.7
310.24744	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	309.2433
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.13059	0.8
59.01374	3.1
67.38671	0.9
70.40002	0.8
74.18717	0.7
79.95729	7.8
80.96523	2.4
83.05047	1.0
95.37806	0.8
95.95258	1.5
96.96010	74.4
99.00904	1.7
102.49768	0.9
121.02919	0.9
122.97591	2.0
125.09673	1.4
127.00406	1.6
137.06097	0.8
137.09737	1.2
138.54343	0.8
149.75334	0.8
151.04034	1.7
151.07654	2.0
151.11296	1.0
152.08437	6.6
155.79886	0.8
171.10179	1.5
209.15495	7.1
233.22659	1.1
247.17166	0.8
247.20709	1.0
252.10118	1.0
265.18036	1.8
277.21722	68.7
278.22031	4.4
291.19562	4.9
309.17392	100.0
309.20505	4.8
309.24286	52.4
310.17767	7.3
310.24728	5.8
321.39349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0724
Annotation	Furoparadine
Peak:m/z	Relative Intensity
53.50130	0.8
58.58045	0.7
59.01381	5.0
71.42226	1.0
75.21211	0.7
79.95690	1.0
87.00900	1.0
101.02450	1.1
134.03726	2.3
135.04504	2.6
149.00891	4.5
149.06049	1.6
160.04085	1.0
176.03563	3.0
179.03502	3.0
206.08272	1.1
223.06496	0.8
224.07126	3.5
224.09143	0.7
226.05119	1.1
228.06381	0.9
236.07286	1.2
238.05093	2.6
238.08765	1.5
239.05869	11.5
240.06685	5.3
241.07132	0.9
249.04308	3.1
250.05081	1.6
254.08223	8.2
264.06644	1.6
266.04575	2.6
266.08084	1.3
267.05331	4.6
268.06161	7.8
269.06656	0.9
277.03796	1.7
281.06738	0.9
282.04819	1.3
282.07529	5.6
292.06171	43.2
293.06549	3.6
294.04044	3.1
295.04694	1.0
310.07208	100.0
311.07516	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	310.0933
Annotation	Dhurrin
Peak:m/z	Relative Intensity
50.02468	6.3
59.01383	59.5
69.21474	35.5
71.01380	25.8
85.02967	13.6
89.02441	32.8
94.50158	6.8
101.02428	19.8
113.02432	10.2
119.03510	11.5
131.03746	7.9
132.04559	17.5
146.02483	34.0
147.03287	85.6
148.04005	21.5
160.04013	81.6
165.64122	6.9
172.03990	8.6
174.05586	15.6
179.98923	7.0
202.05107	24.5
232.32288	8.1
310.09274	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	310.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01736	1.5
61.98830	0.7
70.44443	1.0
70.44761	0.7
71.01382	1.8
72.99292	0.7
73.02957	1.1
85.02957	0.9
87.00893	1.8
89.02481	0.6
101.02460	1.8
113.02438	1.1
116.50456	0.6
126.90434	0.9
133.03047	0.7
134.04712	5.3
135.04529	5.8
146.04634	1.0
149.00923	8.7
152.93750	0.7
157.77782	0.6
161.02522	0.9
161.04642	1.2
168.91444	1.8
179.03484	6.1
190.05153	0.7
207.09132	1.1
250.09509	4.2
251.11449	2.4
300.81943	0.6
310.09326	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02626	1.4
58.00570	1.4
59.01381	100.0
60.01714	1.7
64.05769	1.3
70.46844	1.3
70.47150	2.1
71.01382	42.9
72.99333	1.7
75.00875	3.2
76.39550	1.2
78.21039	1.3
78.95910	13.2
85.02946	5.2
86.03313	1.6
87.00872	6.1
89.02446	57.5
95.01357	2.0
96.96973	1.7
101.02443	9.7
111.00874	22.4
112.01209	7.8
113.02462	12.0
115.00417	1.6
119.03471	6.3
120.18933	1.5
120.95453	1.6
125.00977	1.7
126.90491	2.8
126.98876	21.6
129.01953	3.1
130.08745	99.8
131.03494	3.3
131.04503	1.5
131.09109	1.6
134.03746	4.0
134.04718	2.3
135.04488	2.0
141.00417	1.5
143.02005	2.4
143.03508	4.1
149.00972	1.6
149.04607	1.5
149.06070	3.5
154.25569	1.5
156.99883	2.0
161.04512	4.2
166.89940	1.3
166.97513	11.1
167.97839	6.4
168.97375	5.3
168.99879	2.5
169.90451	1.3
175.02536	3.2
178.96088	3.3
179.05602	10.4
184.97542	1.4
210.96519	6.4
211.96815	5.4
212.09019	5.0
212.96306	3.4
213.00226	2.0
224.96516	8.5
250.03215	5.8
251.03668	1.4
268.04355	1.8
310.96631	5.9
316.90405	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85828	0.3
59.01371	0.9
69.67216	1.1
72.99299	0.4
87.00871	0.7
98.21942	0.6
101.07072	0.3
107.61729	0.3
117.03498	0.4
118.19583	0.3
129.97113	0.3
133.03062	0.3
134.03758	0.3
135.04510	2.8
137.03937	0.5
149.00940	3.4
155.05031	2.0
161.02441	0.8
164.56458	0.3
165.03424	0.7
179.03494	2.3
183.04485	3.0
189.31564	0.3
193.02980	0.7
195.13831	0.4
211.04007	5.4
212.04352	0.3
213.05540	0.4
221.02370	1.4
222.03041	0.4
227.03448	0.3
229.05002	0.6
237.01959	1.2
238.02710	0.8
239.03488	10.1
240.03862	0.6
249.02008	0.4
250.02681	0.7
255.02994	1.9
265.01486	0.6
266.02206	5.0
267.02985	31.3
267.15692	0.4
268.03339	2.2
282.01694	1.2
283.02487	13.2
283.05789	0.8
284.02887	0.9
310.01227	0.4
311.01974	100.0
311.15140	1.0
312.02325	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.041
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
59.01380	13.4
63.04011	0.8
65.15018	0.7
69.88211	1.9
71.01389	1.7
72.99309	7.5
73.02977	0.9
75.00848	1.1
85.02945	1.0
87.00880	22.6
89.02456	0.9
96.01787	0.6
98.21897	0.7
101.02462	0.7
103.00368	4.4
105.01926	1.6
107.05045	2.1
109.02962	0.8
111.00897	13.6
112.73588	0.6
112.98817	1.5
113.03554	0.7
117.01933	1.7
126.98992	0.8
129.01938	1.0
130.99873	1.5
131.04630	1.1
133.02977	0.8
134.03761	5.1
135.04533	68.7
136.04877	1.7
149.00922	100.0
150.01270	1.7
156.99883	0.7
161.02443	1.6
166.97520	7.5
168.97298	6.5
178.02260	0.7
179.03502	71.3
180.03853	2.9
184.08322	0.7
210.96477	4.4
212.96416	3.4
223.35506	0.6
234.43849	0.6
237.06195	1.2
243.54936	0.6
250.91959	0.7
274.88181	2.2
299.85843	0.6
311.10077	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0406
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
59.01376	5.1
62.56475	0.5
65.76402	0.6
68.24857	0.4
69.15136	3.0
72.23061	0.5
72.99306	7.0
75.00858	0.7
85.65996	0.5
87.00874	20.8
98.22741	0.9
103.00367	3.6
105.01967	1.1
106.04283	0.6
107.05022	1.0
112.98807	1.0
117.03500	0.6
124.32700	0.6
129.60963	0.5
130.99870	1.2
134.03729	6.0
135.04521	74.4
136.04810	2.7
149.00909	100.0
150.01256	1.8
179.03490	72.0
180.03828	2.8
212.74539	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10760	0.5
51.86444	0.6
56.90720	0.4
59.01378	7.7
63.53344	0.5
63.98746	0.5
69.32973	1.7
69.33363	1.0
72.99313	9.0
75.00886	0.5
87.00879	19.8
103.00363	4.3
105.01925	0.8
106.04249	0.7
107.05027	1.9
111.54952	0.6
112.98854	1.1
117.03483	1.1
122.67679	0.5
130.99878	1.2
134.03764	5.9
134.04732	0.8
135.04532	79.0
136.04836	2.8
149.00923	100.0
150.01260	1.8
170.07489	0.5
179.03505	72.7
180.03813	3.4
248.39699	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0408
Annotation	cis-caftaric acid
Peak:m/z	Relative Intensity
57.88268	0.6
59.01379	6.7
72.15324	0.7
72.99303	8.8
73.01196	0.6
75.00905	0.9
78.21342	0.7
87.00876	18.4
91.11026	0.6
98.22659	2.6
99.88923	0.6
103.00379	4.3
105.01956	1.0
107.05035	2.1
112.98781	1.6
117.03465	1.0
130.99870	1.4
134.03758	6.6
135.04529	71.4
136.04883	2.2
138.65427	0.7
149.00919	100.0
150.01291	1.8
161.02473	1.8
179.03497	77.9
180.03868	2.2
214.33466	0.8
229.12802	0.7
230.48941	0.7
248.43330	0.7
253.32455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.1
59.01376	0.6
65.00050	0.1
65.00320	1.0
70.51243	0.2
72.99306	0.2
75.02384	0.2
77.03963	4.4
77.51105	0.1
79.01888	2.8
81.03426	0.3
83.01358	0.4
87.00875	0.8
91.05519	0.2
93.03459	2.6
95.01360	0.1
97.02949	0.7
102.05553	0.1
103.01903	0.2
105.03466	1.0
107.01366	0.4
107.05009	0.1
109.02921	0.2
117.03467	11.9
118.03812	0.3
119.05033	1.6
121.02952	3.1
123.04454	0.2
125.02456	0.6
128.03525	0.1
131.01398	0.2
131.05000	0.2
133.02943	0.3
134.03754	0.6
135.00912	0.2
135.04527	4.7
137.02428	0.2
143.04968	0.2
145.02969	0.5
146.03673	0.2
147.04501	0.4
148.01648	0.3
149.00890	3.0
149.02367	0.7
152.58467	0.1
155.05000	0.2
158.03671	0.2
159.04526	2.2
161.02440	3.7
162.02968	0.2
163.00391	0.6
163.04008	2.7
164.04449	0.1
165.01936	2.8
168.05736	0.1
169.06607	0.5
171.04491	0.4
172.05159	0.1
173.02451	0.2
173.05997	0.6
175.00339	0.5
179.03494	2.1
179.04947	0.1
180.05711	0.2
181.06624	0.5
182.03711	0.8
182.07291	0.2
183.02975	0.1
183.04507	1.4
183.08102	1.4
184.04979	0.1
185.05980	0.2
189.01939	0.2
190.02718	0.2
191.03520	0.9
193.01401	0.8
193.06548	0.3
194.07381	0.3
195.04478	0.4
195.08147	0.6
196.05289	1.2
197.06071	1.5
199.03987	0.2
201.05534	0.1
209.06046	0.4
210.06866	0.5
211.04066	0.2
211.07631	1.4
213.05513	0.2
215.07187	0.2
220.43034	0.1
221.06046	0.1
224.04774	1.2
225.05470	0.5
227.03523	0.3
227.07213	0.2
237.05615	0.7
238.06299	0.5
239.03462	0.3
239.07121	2.9
240.04292	0.4
240.07329	0.2
241.05028	0.5
253.05113	0.6
254.05919	0.2
255.06589	0.4
256.03867	0.2
265.04953	0.3
267.02942	0.3
267.06592	0.2
268.03781	2.8
268.06537	0.1
269.04202	0.3
281.04553	3.1
282.05292	1.7
283.06104	53.9
284.06442	3.8
284.09488	0.3
293.04572	1.2
294.04822	0.1
309.04068	0.9
311.05597	100.0
312.05933	7.5
314.04385	0.4
319.98575	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	311.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55583	0.7
59.01380	100.0
59.10709	0.6
60.01719	1.3
61.98815	1.5
71.01382	9.0
72.99324	2.4
73.02950	1.9
75.00878	6.9
78.95914	2.0
85.02960	2.3
87.00865	4.4
89.02452	2.7
96.96055	1.2
99.00923	0.8
99.92602	0.7
101.02465	2.1
103.00373	0.9
110.92632	0.9
111.00897	2.1
112.72476	0.7
113.02460	1.3
117.01986	2.3
126.90398	2.3
126.98875	1.2
129.01929	3.6
130.08740	3.4
131.01953	1.6
131.09122	2.5
134.03752	1.7
135.04526	12.4
143.02007	0.9
148.98651	1.2
149.00919	19.2
149.06122	1.0
150.05641	3.2
150.98329	1.0
152.93681	3.0
157.00015	4.0
161.02475	2.1
161.04601	2.3
168.91426	7.4
172.97688	5.0
176.57375	0.7
177.05586	1.2
179.03506	12.5
185.03101	0.9
189.05646	3.0
192.93993	1.3
219.05205	3.1
226.98721	1.8
251.02805	1.2
251.11440	3.9
252.02469	0.9
255.31129	0.8
274.92340	2.0
284.97113	1.2
310.91336	1.3
310.94809	9.8
311.01144	1.3
333.57745	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72015	6.6
59.01380	100.0
63.86566	7.2
66.41810	7.1
69.70068	23.3
71.01382	54.6
72.99278	8.1
73.02941	31.4
86.43444	8.0
87.00883	17.6
89.02452	89.9
98.21930	14.8
99.00897	61.4
101.02434	55.4
113.02496	10.1
125.02406	7.5
131.03516	16.8
135.04524	37.8
139.21147	7.5
149.00912	68.6
149.04543	48.3
159.04510	7.4
179.03497	28.3
191.05559	23.3
208.77441	7.7
217.10446	7.1
251.11473	10.0
283.06177	15.9
311.02060	9.4
311.05426	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	311.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71948	1.0
59.01110	1.1
59.01369	6.1
69.91347	2.2
69.91674	1.1
70.02978	6.0
71.01379	3.5
71.02505	3.0
72.00909	2.6
72.99310	2.0
78.03854	1.1
78.95896	1.8
85.02927	1.6
87.00884	13.6
89.02438	4.0
95.02521	5.4
96.54944	1.0
99.00862	3.0
101.02464	1.4
108.90170	1.6
111.00887	13.8
111.01989	1.3
113.02422	1.8
113.03582	31.5
114.01973	24.9
117.01945	1.8
126.90542	1.2
126.98875	2.6
127.00147	2.0
128.94928	1.1
131.04630	100.0
132.04935	1.5
132.06715	1.2
135.04532	14.4
136.98700	1.3
139.00146	1.3
149.00922	18.4
166.97540	5.0
168.97363	4.8
179.03519	12.1
191.01932	1.6
200.90247	1.0
206.96739	1.4
210.96521	3.5
212.93349	1.4
212.96429	2.4
213.00072	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	311.1136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.5
59.01379	100.0
60.01704	1.1
66.11851	0.7
71.01385	2.8
73.02954	3.2
83.01381	1.2
84.97533	0.8
85.02971	3.3
93.03516	0.7
96.30764	0.6
98.66067	0.7
101.02435	5.1
102.05633	2.8
111.00875	0.8
113.02471	3.2
124.01749	0.7
125.02522	0.7
127.98410	0.6
128.03558	1.8
130.87601	0.9
135.04507	1.8
149.00978	1.2
159.03087	0.9
161.04498	4.4
199.81638	0.8
223.00681	0.8
225.02348	0.9
247.05183	1.2
267.07587	1.1
269.10349	4.2
283.06241	3.1
284.13184	0.7
311.02686	0.8
311.05618	4.3
311.11084	0.8
312.14572	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	311.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45739	1.6
55.39149	1.4
59.01379	100.0
69.56719	3.4
69.57109	3.1
71.01374	8.2
78.95901	6.9
82.54331	1.4
83.01433	1.5
85.02953	4.9
87.00871	6.2
89.02413	2.0
98.22588	1.7
101.02427	7.4
101.37257	1.7
111.00888	6.0
113.02432	2.7
123.41266	1.5
125.00940	1.5
126.98889	21.2
134.04726	15.9
135.04512	1.8
135.85519	1.5
136.93993	2.1
136.95018	1.4
143.02010	3.1
149.00920	3.6
150.05701	1.9
152.93689	3.8
154.91620	2.9
159.03015	2.1
161.04561	9.0
168.91408	7.8
168.99916	3.1
179.03484	2.2
180.62323	1.4
191.02034	2.1
206.95528	8.1
224.96597	7.4
251.11380	22.7
276.04730	1.3
310.96567	4.9
312.10861	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	311.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41890	3.5
59.01381	100.0
61.98820	6.4
70.04346	3.2
71.47220	5.2
72.99313	6.9
79.71620	4.1
87.00894	14.7
101.02435	6.2
111.00914	6.6
112.01312	3.8
126.98846	4.6
134.04709	10.4
135.04526	29.5
143.57372	3.7
149.00917	44.5
166.48167	3.9
168.91487	6.8
179.03505	28.0
191.01970	7.6
251.11273	8.8
316.26874	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	311.1501
Annotation	Propamidine
Peak:m/z	Relative Intensity
59.01358	2.6
61.98800	1.8
65.20651	1.6
69.55016	5.4
72.62090	2.0
78.01112	23.5
79.74656	1.8
87.10102	1.5
88.98750	1.6
110.00123	2.1
111.00864	2.3
151.14949	5.1
165.12775	3.3
167.14420	56.3
168.14792	1.8
168.91423	1.9
191.14423	96.0
192.14737	6.9
195.13736	2.3
213.13945	3.1
223.13365	30.1
224.13690	1.9
234.57628	1.7
251.12926	7.1
267.19370	1.9
269.13959	10.5
293.20407	6.3
311.14999	100.0
311.22302	12.4
312.15338	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.1689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84885	0.5
55.32732	0.5
59.01390	1.1
71.93201	0.4
72.99340	0.5
79.95760	1.5
80.09042	0.5
87.00904	1.2
96.96003	0.8
98.95602	1.0
104.66664	0.4
119.05030	0.8
128.46236	0.5
135.04524	4.5
138.16734	0.5
149.00908	5.2
170.00450	1.4
179.03551	4.7
183.01208	50.3
184.01956	4.9
197.02802	2.6
198.03506	1.2
216.00954	0.9
225.05891	0.5
274.88019	0.7
282.36520	0.4
306.33780	0.4
306.99368	0.4
311.16882	100.0
312.17249	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	311.1865
Annotation	(+)-Neomethynolide
Peak:m/z	Relative Intensity
55.90359	1.2
57.03441	2.0
59.01369	4.8
70.93870	1.3
71.05030	1.9
97.06573	2.8
101.92513	1.2
111.08169	4.5
113.09710	2.9
121.02937	1.9
135.04433	1.3
139.11325	1.6
153.12840	3.7
153.13965	1.4
157.08678	9.9
167.14423	2.3
171.10281	3.5
175.40343	1.2
183.10207	1.4
194.92776	1.4
195.13930	1.2
207.17465	1.3
211.13432	4.9
223.20560	3.3
228.84280	1.2
237.14998	7.1
249.18565	5.9
267.19647	100.0
268.19958	8.1
275.16534	8.3
278.89685	1.3
293.17572	33.7
293.21130	18.4
294.17886	2.6
294.21365	1.4
300.28256	1.3
311.18610	43.3
311.22256	72.2
312.18909	3.5
312.22595	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	311.2016
Annotation	Longithorone K
Peak:m/z	Relative Intensity
50.39649	0.3
59.01381	0.6
69.94489	0.8
71.16183	0.2
76.71429	0.2
111.92516	0.3
112.46487	0.2
129.21028	0.2
133.06607	2.2
135.04507	0.6
149.00891	0.9
149.09717	100.0
150.10052	4.7
176.45850	0.3
179.03548	0.4
183.01198	3.6
235.99464	0.3
311.16840	7.1
311.20120	58.2
312.17239	0.6
312.20438	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	311.2227
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
59.01373	4.6
63.06768	2.9
71.43572	3.1
93.10416	2.5
99.08151	5.8
139.11278	7.2
152.08485	2.9
171.10243	12.0
172.25162	2.6
174.59720	2.5
207.48933	3.1
225.14977	5.9
293.21106	22.0
311.22281	100.0
312.22726	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	311.2229
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
55.64234	0.5
57.03435	1.3
59.01369	1.1
62.71265	0.4
65.07226	0.5
65.86183	0.5
70.90100	0.5
77.77681	0.5
81.03445	1.0
83.04646	0.5
83.05032	5.5
84.31159	0.5
97.06555	1.3
99.08164	5.7
113.09772	1.2
117.77511	0.5
125.09728	2.6
137.07941	0.4
139.11261	6.1
157.08694	1.7
171.10275	17.0
172.10616	0.5
181.12291	1.3
181.16078	0.6
185.11832	2.0
191.14423	0.8
193.12321	1.5
195.54047	0.6
209.15480	2.0
211.13434	0.9
225.14940	5.3
248.28107	0.4
249.22287	0.9
278.24722	0.5
293.21228	24.0
294.21573	1.4
311.22272	100.0
312.22577	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.1
62.94777	1.1
69.61996	4.0
80.57043	1.0
87.03913	1.0
97.06593	1.3
113.09702	2.8
123.69704	1.0
125.09684	5.4
139.11298	7.9
149.09744	1.9
167.14320	1.6
171.10278	8.9
185.11771	6.5
186.55714	1.0
197.11845	2.1
211.13387	38.9
212.13712	2.0
223.13368	33.7
224.13689	2.3
233.50722	1.1
249.22250	1.5
293.21222	100.0
294.21487	8.9
311.22269	65.8
312.22617	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.0
59.01365	1.7
83.05019	1.1
97.02921	1.3
99.08166	2.3
113.09721	3.3
121.10229	2.9
125.09711	2.3
127.11282	1.8
129.09212	1.9
139.11284	14.6
155.10747	1.4
169.12325	0.9
171.10269	31.3
172.10551	1.8
177.12854	1.0
181.12373	1.0
185.11807	3.8
193.12331	5.0
197.11789	1.7
201.11354	1.8
211.13379	6.0
213.53947	0.7
249.22227	1.0
255.04140	0.8
274.11737	0.7
275.20056	1.8
293.21228	20.7
294.21591	1.8
311.22275	100.0
312.22577	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	311.2228
Annotation	9(S)-HpODE
Peak:m/z	Relative Intensity
57.03456	4.9
69.81187	7.6
74.14970	2.8
77.74092	2.6
88.63967	2.6
97.06551	3.8
106.66428	3.0
107.20579	2.6
118.64912	2.6
120.32627	2.8
123.08098	3.3
125.09790	14.0
138.97824	3.0
139.11230	3.1
149.09717	4.0
149.79526	3.0
155.10767	8.2
168.66895	2.7
171.10178	5.8
183.01215	31.9
185.11826	27.9
197.02728	4.8
197.11879	6.8
219.03775	2.7
240.18716	3.5
249.22141	2.9
293.21237	100.0
294.21542	8.3
311.16858	69.2
311.22116	19.0
312.17166	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96845	1.0
55.85020	1.2
57.03432	1.9
59.01380	1.5
69.69190	2.5
69.69576	2.3
69.86243	1.2
81.57073	1.0
83.01753	1.2
83.05000	1.1
84.67388	1.2
85.78496	1.1
95.69293	1.2
97.02948	1.3
97.06618	1.7
103.56947	1.0
110.70814	1.0
113.09705	7.5
118.39069	1.0
120.24892	1.1
121.10262	2.8
125.09755	1.4
127.11306	1.2
139.11285	25.7
155.10747	2.5
171.10266	33.3
172.10561	1.3
185.11832	1.2
185.43083	1.1
211.13428	2.1
213.70778	1.3
275.20117	2.2
293.21246	27.2
293.24240	2.2
294.21454	2.7
309.21198	1.4
311.22287	100.0
312.22516	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45649	1.4
52.98005	1.4
57.03440	2.8
59.01361	1.8
71.05020	1.9
71.43227	1.4
73.15108	1.0
75.95521	1.5
83.13525	1.3
111.25566	1.2
121.10265	1.6
121.40736	1.2
125.09748	3.2
127.11279	4.5
135.04501	1.6
139.11278	11.8
148.83401	1.4
149.00951	3.2
155.10826	3.0
171.10268	59.3
172.10606	1.4
179.03499	1.9
183.01231	2.3
183.10304	5.3
185.11852	14.2
201.11333	9.6
208.66582	1.5
211.13422	3.7
223.20761	2.7
237.21727	1.5
249.22305	1.6
275.20206	4.2
293.21252	21.3
311.16708	3.8
311.22263	100.0
312.22672	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	311.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95265	0.9
58.00587	1.0
69.56790	3.7
71.19873	0.9
121.10248	1.9
125.09712	3.1
127.11260	5.8
139.11311	10.8
151.11281	1.1
155.10806	2.8
156.11266	0.9
165.09193	1.3
167.10806	1.2
171.10283	68.7
172.10622	2.5
183.10280	7.1
184.10539	1.0
185.11856	9.2
197.32617	1.0
201.11348	14.4
211.13348	1.4
237.42500	1.0
275.20215	4.3
293.21259	15.8
294.21509	1.3
311.22284	100.0
312.22574	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
67.51098	0.6
69.11337	4.1
71.08326	0.7
75.14027	0.6
77.08652	0.5
79.62040	0.8
87.43494	0.5
97.06599	0.7
108.00189	0.6
123.08153	0.8
125.09739	3.9
127.11301	0.8
137.22414	0.7
139.11279	1.3
141.09258	1.6
151.07669	0.7
153.09236	1.5
155.14436	1.6
157.12357	0.6
171.10201	1.6
177.29207	0.6
181.15959	1.0
183.13788	0.9
188.85432	0.6
200.10545	2.6
237.65244	0.6
249.22166	2.7
265.21466	0.7
267.23264	1.2
293.21234	5.9
311.22275	100.0
312.22635	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	311.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37074	0.7
53.15189	0.6
57.03419	0.8
69.68218	3.0
71.05013	0.8
88.65604	0.7
98.21961	1.0
111.42507	0.7
135.04503	0.9
139.11317	1.7
149.00916	1.5
151.11334	0.9
154.10013	1.5
171.10225	1.4
177.12851	3.0
195.13905	3.1
196.14719	0.7
199.04369	0.7
249.22238	3.0
293.21222	74.9
294.21536	6.3
311.22272	100.0
312.22650	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59018	0.9
57.03455	1.3
70.73254	1.4
76.80450	0.8
77.36465	0.7
89.02026	0.8
97.06594	1.5
123.08182	1.0
125.06098	0.8
125.09748	5.9
133.28561	0.8
137.82893	0.8
138.47200	0.7
139.11275	1.6
141.09232	3.7
141.12866	2.1
143.10857	1.0
153.09227	2.3
155.14488	3.7
157.12347	1.9
164.40977	0.8
171.10309	3.3
178.04099	0.9
181.15965	1.1
181.92871	0.8
183.13890	1.1
185.11890	1.2
186.76753	0.8
200.10559	4.6
220.49934	0.8
239.23727	0.9
249.22284	3.4
265.21640	2.3
275.20056	1.3
293.21289	9.6
294.21771	1.1
311.22284	100.0
312.22678	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	311.2226
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
52.75422	0.8
57.03419	0.9
62.67412	0.8
65.22806	0.9
70.98826	1.4
74.47507	0.9
98.40273	0.8
135.04515	1.5
149.00893	1.2
162.08398	1.0
183.01189	8.7
187.23578	0.9
197.02869	2.6
206.12627	1.0
220.14249	3.3
249.22218	54.0
250.22609	3.5
267.23334	1.4
292.77249	0.9
293.21237	23.2
294.21555	2.2
306.76077	0.8
311.16940	25.1
311.22263	100.0
312.17178	2.2
312.22543	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	311.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.8
59.85695	0.3
60.30036	0.3
62.69807	0.3
65.97858	0.4
71.46145	0.5
97.06594	0.4
113.09737	0.9
115.07642	1.7
127.07611	0.5
128.08476	0.8
135.04526	0.5
135.93176	0.5
149.00949	0.7
157.08710	0.5
160.12308	0.5
167.10857	0.4
167.14424	3.7
171.10229	0.4
179.03445	0.6
183.13943	2.5
195.13902	10.1
211.13402	1.3
213.14868	0.9
242.15201	0.9
249.22198	0.7
265.21710	0.4
267.23328	0.8
275.20328	1.0
279.10263	1.1
283.22894	0.5
293.21268	7.3
293.24213	0.3
294.21506	0.4
311.22272	100.0
312.22598	9.1
325.42725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2228
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.95887	0.5
57.03447	0.6
59.01371	1.3
70.03497	1.5
73.06329	0.4
97.06590	1.4
98.21995	0.8
103.01531	0.6
119.94733	0.8
123.08181	0.7
125.09721	3.6
135.08176	0.6
138.19540	0.6
139.11295	2.2
141.09207	2.0
141.12871	1.0
149.09758	0.8
153.09189	1.7
155.14426	2.6
157.12363	1.0
171.10248	1.9
183.01204	8.3
183.13882	0.9
184.01918	1.0
186.52557	0.5
200.10562	0.8
249.22197	1.9
265.21652	1.7
267.23285	2.0
275.20206	0.9
278.79495	0.5
283.22983	0.6
293.21313	7.1
294.21695	0.7
311.16983	20.0
311.22278	100.0
312.17175	1.3
312.22656	8.6
327.02786	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.0063
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27905	0.7
59.01368	4.3
59.01616	0.6
61.19205	0.6
61.98816	2.7
69.67931	2.2
98.21816	0.8
99.98929	1.5
117.00459	7.3
125.98507	1.2
126.00460	4.5
126.98164	1.9
126.99931	1.5
127.98429	0.7
129.00427	2.5
140.02107	1.0
141.99963	66.0
143.00026	3.3
151.98372	1.0
159.01480	1.2
166.99471	1.3
167.99632	3.3
168.91718	1.5
168.99107	3.5
169.89461	1.6
169.99452	100.0
170.97827	15.6
170.99141	8.5
171.01369	6.2
179.97821	0.7
184.01022	24.1
185.01135	1.5
217.00642	1.0
249.67154	0.7
259.01624	1.9
312.00653	3.2
312.99078	2.2
313.02606	2.7
322.90128	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	73.8
59.35095	44.2
62.47464	42.0
62.90997	44.9
69.89370	77.0
69.89711	100.0
78.20196	47.1
101.58157	50.6
134.04758	69.6
273.26801	52.2
298.48935	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.1818
Annotation	Heliotrine
Peak:m/z	Relative Intensity
57.03434	1.4
58.11965	1.0
59.01378	2.6
65.08647	0.9
69.03460	2.4
71.01384	1.9
73.02943	3.1
79.05595	0.8
82.06608	1.8
83.05029	9.7
84.02139	0.8
84.04569	0.9
86.06107	1.8
94.06638	1.6
94.92647	0.8
95.05056	1.2
96.04561	13.4
97.06570	1.7
106.06643	0.8
109.06506	0.9
110.06114	2.4
112.07688	51.5
113.08082	1.3
115.33971	1.0
123.08125	1.0
125.06069	1.3
125.09708	6.0
126.06471	0.8
127.11265	2.8
137.09755	4.9
140.34128	0.8
141.09164	1.1
143.10782	1.3
149.57253	0.7
153.09236	2.3
155.10762	2.4
163.11293	3.3
171.10275	18.0
171.13768	0.8
179.10841	1.0
181.08688	1.3
181.12341	1.4
185.11806	4.4
197.11841	4.1
199.09760	38.3
200.10043	1.7
209.11740	1.9
211.13423	1.4
213.11304	11.0
215.12881	56.1
216.13277	2.4
225.11328	23.5
225.13481	1.8
226.11716	1.6
238.14494	1.1
249.15079	1.1
253.09293	1.6
266.17657	1.3
276.16028	8.6
277.14420	1.8
284.18689	1.1
294.17111	17.7
295.17639	1.0
312.18167	100.0
313.18542	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	313.0566
Annotation	Norbergenin
Peak:m/z	Relative Intensity
59.01377	8.4
65.58918	0.9
69.98861	1.0
70.71566	1.6
71.01395	1.1
78.95881	2.5
91.46914	1.0
93.03468	2.4
105.03465	1.4
107.05080	1.6
108.02177	2.7
109.02982	1.9
119.05070	1.4
120.01257	5.6
120.99647	2.0
121.02953	4.0
123.04537	1.7
134.03761	5.0
135.04495	2.5
137.02492	6.2
145.02931	1.6
149.02432	5.7
149.06088	3.7
151.04018	8.1
161.02382	1.4
162.03406	1.0
163.03952	1.6
164.01132	1.5
165.01924	8.4
169.12642	0.9
179.03499	2.7
189.01904	1.0
191.03510	1.8
193.01414	100.0
194.01804	2.9
207.02989	8.7
235.02466	10.1
313.05649	67.1
314.05908	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	313.0718
Annotation	Sylpin
Peak:m/z	Relative Intensity
53.35345	0.3
53.94598	0.3
59.01367	0.3
70.75985	0.5
87.04553	0.3
113.09740	0.7
121.02960	100.0
122.03297	2.8
141.09206	0.3
180.05814	0.9
181.06580	4.4
186.09885	0.3
187.09769	0.9
191.54649	0.4
199.09752	0.3
225.05588	6.2
226.05911	0.8
254.85452	0.4
294.21661	0.8
298.66455	0.3
312.22668	2.5
313.07178	17.9
313.19791	2.1
313.23026	1.2
314.07483	1.4
334.06442	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57775	1.2
56.49669	1.1
56.64597	1.2
57.03446	6.3
58.00573	1.8
59.01384	19.1
62.67556	1.1
66.30968	1.2
69.86897	2.1
73.02937	1.3
76.19958	1.2
76.22105	1.1
83.05023	3.5
87.00875	2.5
87.04523	2.5
98.22597	1.5
108.02157	3.2
109.06644	1.7
111.08160	15.4
113.09726	30.4
123.08174	2.6
125.09737	2.3
127.07677	2.0
127.11247	1.5
137.09760	7.7
141.09196	1.6
143.10832	2.4
151.07652	6.8
155.10793	1.5
157.08702	5.9
161.89796	1.4
169.08650	1.5
181.08618	2.7
185.08250	2.3
187.09761	67.3
188.10141	2.8
199.09752	32.9
216.76624	1.3
221.11852	3.0
238.11961	1.5
277.18045	4.7
278.18671	1.4
295.19162	22.7
296.19501	1.8
313.20206	100.0
314.20569	8.4
326.69766	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59865	0.7
59.01381	100.0
60.01722	1.2
69.93414	2.3
72.74185	0.7
82.46171	0.7
88.92665	0.7
90.43296	0.8
113.09744	1.3
140.89539	0.7
168.17767	0.8
187.09811	2.3
192.78615	0.8
246.98071	0.9
254.85670	1.0
295.19400	1.1
313.17288	1.1
313.20602	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2385
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
58.00589	2.5
59.01377	1.6
59.06610	0.8
61.98808	0.9
62.60110	0.8
96.95986	0.7
99.08160	16.6
108.02171	1.8
111.08230	1.0
127.07649	2.3
129.09218	17.9
165.73555	0.9
170.88383	2.2
183.13893	32.4
184.14233	2.0
195.13876	2.1
197.90149	0.9
254.85530	1.3
277.21835	2.6
295.22821	6.3
311.22717	1.0
312.81592	1.0
313.23837	100.0
314.24139	7.8
334.40741	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
52.66501	1.3
53.78435	1.0
55.48962	1.4
57.03437	1.5
59.01379	1.3
69.00407	1.1
83.72286	1.3
91.02219	1.5
108.11549	1.0
112.98815	1.4
119.88673	1.2
121.02971	1.6
123.08266	1.3
125.09700	6.0
141.12927	1.8
151.11296	3.1
185.00696	2.2
225.76854	1.3
251.23747	3.5
259.00067	1.2
295.22781	100.0
296.23166	10.2
313.16672	10.7
313.23773	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	313.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23758	0.8
51.92692	1.0
57.03439	2.7
59.01371	1.6
61.98850	1.0
69.67564	2.8
69.67903	1.2
71.92315	0.9
74.27103	0.9
89.56715	0.9
91.02187	1.4
98.54461	0.9
106.20956	0.8
108.02177	1.3
125.09737	2.1
141.12900	5.1
147.74055	0.9
151.11288	3.8
153.09236	1.6
158.16615	1.1
169.12308	1.7
185.00806	3.8
197.11792	7.9
251.23843	4.1
295.22775	100.0
296.23129	9.5
313.17087	8.7
313.23743	2.7
323.89188	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2386
Annotation	(plusmn)12,13-DiHOME
Peak:m/z	Relative Intensity
53.34163	0.9
59.01394	1.3
61.98823	1.9
70.44529	1.6
70.44865	1.3
71.04995	1.3
72.10338	1.2
93.94840	1.0
99.08159	2.8
108.02153	1.5
109.02970	1.2
141.12906	2.1
170.88414	1.8
185.11850	3.6
254.85568	1.8
293.21310	2.7
295.22818	7.1
313.03363	1.1
313.23849	100.0
314.24158	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	315.0511
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
52.12792	1.1
59.01375	3.5
61.73211	1.0
63.02401	6.2
65.00315	3.4
68.58410	1.0
70.68827	1.3
83.01351	4.8
105.37328	1.0
107.01402	10.6
108.02211	2.1
113.71959	1.0
124.01680	2.0
148.01674	4.6
149.99599	1.4
151.00354	15.9
152.01141	1.0
163.00394	2.3
164.01117	5.3
211.03973	1.3
217.00319	1.9
227.03499	3.0
228.04204	1.8
235.17017	1.7
243.03009	2.2
255.03079	2.1
271.02505	4.2
279.15991	6.9
283.02515	2.8
299.01889	1.4
300.02740	76.3
301.03030	3.9
315.05099	100.0
316.05484	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	315.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86097	0.8
59.01375	9.2
61.98801	0.9
62.91479	0.9
66.62815	0.8
74.77785	0.8
113.48654	0.8
120.99657	100.0
121.99994	1.4
134.03740	24.2
135.04030	1.1
149.06079	22.1
149.07224	1.5
166.95282	0.8
174.99236	2.0
178.02696	1.9
191.43558	0.8
191.48453	0.9
193.05101	5.2
196.13002	0.9
215.14018	1.0
217.00276	6.4
219.84669	1.4
232.97533	2.1
246.72665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0722
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03441	1.0
59.01379	1.8
60.85348	0.3
65.00330	1.2
66.85306	0.3
67.01881	0.5
68.99824	1.1
70.73803	0.5
71.01362	0.8
81.03451	0.8
83.01386	7.5
85.02941	0.6
89.02430	0.8
97.02937	0.4
101.02425	0.7
105.70979	0.3
107.01398	1.6
109.02944	3.4
111.00920	0.6
111.68861	0.3
117.27487	0.3
118.65138	0.3
120.99667	1.6
121.02997	0.3
123.04526	13.3
124.04871	0.4
125.02449	6.3
135.04520	2.6
137.02458	0.5
139.03998	0.8
149.02455	1.2
149.11195	0.3
151.00366	12.4
152.00980	0.5
153.01938	100.0
153.05548	21.4
154.02257	3.1
154.05908	0.7
167.03551	0.4
177.01938	1.3
180.31851	0.4
195.02965	3.0
219.02992	0.5
315.07220	6.5
315.10849	2.0
315.16553	0.4
316.07239	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31610	3.9
59.01379	100.0
71.01375	6.5
78.95907	18.8
85.02973	4.5
88.04041	3.1
96.95992	3.4
96.96955	8.8
104.01067	3.4
108.02183	60.8
109.02983	24.0
116.24126	3.2
117.05587	45.5
120.99661	29.3
134.03754	8.6
149.06102	5.0
152.01167	39.0
153.01944	27.2
171.49753	3.2
174.99237	23.2
217.00287	74.9
217.11899	6.5
254.86549	5.7
293.90601	3.7
315.07248	51.8
315.19717	4.5
316.07483	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	315.0875
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	10.7
58.03793	0.2
59.01363	0.2
63.02358	0.2
65.00327	0.4
68.99809	0.4
69.48416	0.5
81.03452	1.3
83.01385	5.5
105.03518	0.2
107.01401	0.4
112.50005	0.1
119.05031	2.8
121.02971	0.5
121.06409	0.1
123.04536	1.0
125.02451	100.0
126.02789	2.8
138.89594	0.1
147.04530	0.2
149.02469	0.7
151.00436	0.4
167.03525	1.4
189.05566	2.8
190.05956	0.2
200.46536	0.1
204.36563	0.1
217.00288	0.1
222.62546	0.1
315.08755	2.0
316.09027	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33874	3.0
57.03443	5.4
59.01371	14.5
62.59690	2.9
67.15782	3.1
69.66864	10.7
75.66196	3.0
87.00871	4.2
97.02956	5.2
109.06548	4.0
109.07342	3.0
112.98792	6.6
124.05281	6.3
125.02451	100.0
128.28574	3.4
135.04512	5.1
137.06068	4.3
139.07663	42.4
151.00360	4.0
152.07175	3.1
153.09250	6.9
157.34111	3.1
166.06375	10.8
168.07909	11.4
169.08722	4.3
181.08707	78.0
181.10231	6.4
182.09061	7.5
183.10318	15.8
187.11195	5.6
205.12402	8.0
217.00352	7.6
244.03223	5.4
255.02966	3.6
271.02417	9.5
272.02850	4.4
273.17297	3.6
277.83148	3.6
279.12448	19.6
286.37909	3.2
297.16818	3.1
300.02725	26.8
315.04941	31.4
315.10181	8.9
315.18106	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	315.1086
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01373	0.4
65.62904	0.3
69.28407	1.6
79.63771	0.3
81.03474	0.3
88.95129	0.3
95.05003	0.6
122.03754	0.7
122.58931	0.3
123.04527	75.4
124.04850	2.2
134.57506	0.3
153.05579	100.0
154.05930	3.5
195.14226	0.3
197.33694	0.3
315.10825	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	315.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62328	1.5
57.03438	4.9
59.01379	58.0
63.88155	1.4
69.03454	17.3
71.05023	3.4
71.72172	1.6
71.73401	1.6
72.38700	1.3
72.99316	2.5
82.69695	1.6
83.93963	1.4
84.99310	1.8
87.00878	37.2
87.01384	2.9
90.79993	1.8
102.99707	2.4
103.00370	23.4
104.91859	1.4
104.92565	1.3
111.08178	3.5
112.98821	38.6
113.06103	2.7
129.02017	1.7
130.99860	5.1
139.11305	23.0
141.31680	1.5
174.99239	3.2
183.10268	100.0
184.10625	5.3
217.00352	8.6
274.82581	1.8
297.45578	1.7
315.10846	12.4
315.19669	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	315.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32263	1.4
59.01380	100.0
67.39449	1.3
71.01369	8.8
73.02962	2.1
74.99100	5.0
82.69390	1.6
85.02952	5.1
89.02451	2.3
93.03471	14.4
95.01389	2.5
101.02460	4.1
106.86594	1.5
113.02497	3.6
114.05623	2.1
116.87540	1.4
118.28168	1.7
118.98090	18.5
120.99660	30.6
123.00920	2.5
134.03752	7.6
149.06075	4.9
153.00729	11.2
153.05559	2.9
154.01497	4.3
155.00325	1.3
159.02965	1.6
161.04590	15.2
162.83876	1.9
174.99338	2.1
196.15976	1.4
204.32545	1.4
217.00246	8.2
232.97523	1.8
285.93472	1.5
316.06729	2.9
337.80023	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	315.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19838	11.1
55.37558	10.5
59.01379	100.0
61.98812	13.2
62.37748	11.9
69.19204	24.7
69.19618	47.2
87.00890	15.8
98.22611	24.5
123.04526	13.2
152.34789	11.1
183.10257	83.5
217.00339	33.3
303.63086	11.2
315.09692	28.3
315.14285	22.9
315.17633	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14260	0.7
56.32034	0.7
59.01374	0.9
69.03456	1.0
71.43861	0.7
83.05029	16.5
94.51518	0.9
160.18419	0.8
177.53650	0.7
249.62132	0.7
253.19576	1.0
271.20700	15.7
272.21368	1.5
279.87881	0.7
313.23929	0.9
315.19650	100.0
315.25555	2.5
316.19962	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.2
61.98809	1.2
69.45306	0.6
70.08254	1.5
70.08613	1.0
70.64220	0.8
77.77853	0.7
95.12027	0.7
129.71487	0.7
147.09848	0.7
315.19641	100.0
316.19928	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	315.1965
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
51.64423	0.7
53.18121	0.5
59.01370	1.1
70.16016	1.7
73.40928	0.6
83.05027	18.5
95.05029	0.8
101.89339	0.8
119.62699	0.6
131.72787	0.7
169.90858	0.7
175.15022	0.9
271.20694	18.0
272.21002	1.5
291.64142	0.7
315.19638	100.0
316.20010	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	315.1965
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
53.76194	0.8
60.73746	0.7
69.30198	4.5
79.08652	0.9
80.02680	2.7
81.03467	1.0
81.07092	6.4
94.16122	0.9
95.05037	4.9
106.04185	1.1
107.05032	6.7
107.05676	1.0
109.06584	2.5
110.68279	0.7
135.08168	1.3
137.09720	5.6
184.00482	0.8
189.12846	1.5
191.14410	1.1
215.14453	1.3
253.19626	2.2
269.19086	1.3
271.20673	92.3
272.20999	9.0
281.79343	0.8
290.86752	1.0
303.19510	1.9
315.19638	100.0
315.25485	2.6
316.19952	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	315.1964
Annotation	15-deoxy-delta-12,14-PGJ2
Peak:m/z	Relative Intensity
69.07885	5.5
80.02665	4.5
81.03456	1.6
93.03439	1.0
95.05031	11.9
98.21864	1.3
99.29272	0.7
106.04238	2.6
107.05044	4.1
109.06591	2.3
121.06569	0.9
126.85217	0.7
131.87321	0.8
137.09712	1.4
173.09642	0.9
175.11421	0.8
189.12848	1.9
191.14406	14.0
192.14740	1.1
203.14433	1.3
215.14374	1.9
243.17659	2.2
250.21066	0.8
253.19566	1.5
263.27701	0.9
269.18994	1.1
271.20673	100.0
272.20999	8.3
290.38156	0.8
315.19638	98.5
316.20010	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	315.1965
Annotation	TOTAROL-19-CARBOXYLIC ACID
Peak:m/z	Relative Intensity
50.33681	0.5
57.18764	0.6
59.01366	0.9
61.54203	0.6
61.98809	0.9
72.21635	0.6
92.92802	0.6
244.30852	0.6
271.20746	0.9
315.19650	100.0
316.19952	9.3
336.81482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38086	0.4
59.01370	1.7
61.95020	0.4
71.01402	0.6
77.12389	0.4
83.05025	1.2
84.93878	4.0
86.95418	0.7
99.92581	18.4
100.92664	1.2
100.93359	17.5
101.06042	0.5
101.93365	0.5
112.98830	0.5
114.94940	6.1
115.92080	29.4
116.92861	100.0
117.92883	3.5
117.93619	0.7
119.05032	1.1
121.77721	0.4
130.84026	0.4
132.92305	0.5
137.02449	1.3
137.17352	0.5
140.92851	2.1
142.94426	8.5
143.94557	0.5
145.03024	0.8
145.05066	1.4
156.92363	2.1
158.93918	24.5
159.93925	1.0
161.02466	0.6
173.92584	1.3
174.93436	1.9
184.91830	6.4
185.11816	1.7
185.91989	0.6
186.93451	1.3
202.92874	4.2
212.98645	1.2
215.00171	1.1
230.99704	3.5
273.00757	3.7
289.21710	0.7
316.16617	5.3
316.99707	6.2
317.11884	0.7
317.16779	2.1
317.21161	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	317.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14600	2.7
57.03435	6.8
59.01372	5.2
61.54110	2.7
63.02382	3.3
65.00311	5.8
83.01382	16.8
93.03462	14.3
95.01385	11.1
107.01412	6.2
108.02194	3.0
109.02947	25.8
119.05025	9.0
121.02135	6.1
121.02957	75.6
124.01649	5.3
125.01506	4.5
125.02449	92.8
133.02945	10.3
135.00859	12.5
135.04497	10.9
137.02443	31.3
143.05009	20.5
145.02924	10.6
147.00868	3.9
147.04520	34.6
148.01686	4.4
149.02449	36.2
151.00359	10.7
152.01189	8.5
152.95932	3.4
155.05028	5.0
158.03711	3.1
159.04491	17.2
161.02435	3.5
161.06090	8.8
163.00371	97.2
163.04004	3.9
164.01189	15.9
167.03629	5.6
167.04973	14.0
169.02914	7.5
169.06517	6.6
171.04523	36.4
173.02383	7.1
173.06000	6.4
174.03204	16.7
175.03996	48.0
176.01178	16.8
177.01912	10.4
179.03406	5.0
182.03738	5.2
183.04503	12.7
185.06100	25.7
186.03206	3.3
186.06432	3.1
187.03979	15.4
189.05595	14.5
195.04523	28.0
196.05260	8.0
197.02425	5.8
197.06097	16.4
198.03215	13.0
199.03969	39.7
201.01900	7.3
201.05553	4.9
202.26491	2.9
211.03998	28.8
212.04680	11.1
213.05537	36.6
214.02715	3.7
215.03549	21.3
216.04181	3.2
217.05042	56.1
223.03928	8.3
226.02733	6.7
227.03506	9.2
229.05052	23.4
231.06602	5.7
239.03464	32.0
240.04111	8.9
241.05037	52.1
242.02202	11.9
242.05263	3.6
243.02936	17.2
255.02957	3.6
256.03860	14.5
257.04529	84.1
267.02979	55.6
268.03574	4.4
273.22192	3.7
281.13925	3.9
284.03381	4.6
285.04059	100.0
286.04437	8.8
317.06693	10.6
317.17621	4.5
317.21255	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0666
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
53.24832	0.6
57.03447	14.3
58.15538	0.8
59.01375	1.6
63.02394	3.7
65.00324	7.8
69.03466	0.9
70.08498	1.2
70.08818	0.9
79.94415	0.8
81.03461	1.5
82.95033	0.6
83.01386	10.5
83.01826	1.0
83.05022	1.4
87.72422	0.7
95.01373	5.3
96.02177	3.0
107.01378	5.1
108.02161	2.4
109.02981	1.0
111.00887	2.3
120.86882	0.7
122.03744	2.8
123.00874	5.1
123.04533	0.8
124.01670	17.2
125.02448	100.0
126.02795	2.0
135.00856	0.8
136.01625	1.0
137.02481	1.2
139.00444	1.5
140.01164	0.8
146.03749	1.8
148.01607	0.9
149.02426	3.3
150.03212	2.6
151.00375	13.2
152.01155	39.5
153.01895	3.0
153.05634	0.9
159.04477	1.1
165.05620	0.9
169.01440	1.1
171.04584	1.1
172.05276	1.3
178.99847	9.4
180.00632	2.2
185.11809	0.7
186.06943	0.9
187.04012	1.2
188.04784	2.9
192.04268	9.1
199.13374	2.4
201.11282	0.7
207.06638	8.2
213.05502	1.1
214.06322	2.8
215.03500	2.0
216.04301	2.5
227.03355	0.9
229.08676	2.0
230.05898	3.4
231.06601	7.2
232.06892	0.9
240.04515	0.8
243.06750	1.1
249.07758	1.0
256.03751	0.9
258.05209	4.7
273.07727	12.0
274.04904	4.5
275.67731	0.7
281.13724	0.9
284.03360	0.9
289.07172	71.3
289.21799	0.7
290.07568	5.0
299.05545	2.0
317.06647	71.8
317.21094	2.5
318.07022	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	317.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51013	3.5
59.01373	9.9
64.01893	3.4
65.51695	3.2
66.65696	3.3
68.01414	40.6
71.01379	4.1
73.02956	3.0
81.02204	7.8
83.05008	5.6
83.92368	3.2
87.00848	3.2
94.42747	3.2
100.04040	35.8
101.29053	3.7
110.02460	4.4
116.05060	40.7
122.03725	7.6
125.01191	33.9
129.01913	4.3
132.04541	28.9
135.04576	5.9
139.07610	8.9
140.03537	100.0
142.06606	4.5
144.04535	57.3
145.11734	3.2
146.06114	74.4
147.06458	3.6
151.99873	11.4
162.05586	23.8
170.06125	53.9
172.04025	36.6
181.12398	5.3
187.05104	34.5
196.86574	3.4
197.07211	12.5
198.05595	83.2
205.12358	13.9
213.04277	17.5
225.11304	8.5
230.08258	56.2
238.16225	4.0
241.06178	18.5
243.12350	5.6
256.06186	3.6
269.43289	4.0
273.08823	30.8
279.12415	12.5
317.15790	8.2
317.21478	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	317.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.8
69.18053	14.3
75.48031	3.6
83.05020	16.7
86.02568	2.7
95.05027	2.8
98.22631	4.3
108.04559	3.4
120.04548	5.2
122.06120	7.6
134.06119	18.7
136.07678	12.5
138.05605	9.7
145.05110	4.4
150.05621	6.4
152.07166	5.7
158.68683	3.0
159.05670	6.4
160.78070	2.9
189.07668	4.6
207.51845	3.0
212.10814	10.6
215.09480	4.2
226.07402	5.4
230.11887	26.6
240.09103	7.7
255.11382	100.0
256.11676	6.0
257.13043	3.9
273.12347	15.7
276.25128	2.8
289.21692	4.4
307.46127	3.7
317.12067	6.8
317.15503	4.2
317.21191	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	317.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45430	0.7
57.03449	64.9
57.92629	0.6
58.03779	0.8
81.03447	1.2
83.05026	62.6
84.05367	1.3
95.05003	1.1
99.14360	0.6
103.13878	0.6
107.05030	3.5
109.06590	1.4
122.03716	1.0
133.06602	0.8
136.08934	1.4
137.09746	3.3
146.45767	0.7
155.74937	0.7
159.08200	2.6
163.11328	0.6
173.09686	1.4
187.11295	0.9
189.12859	3.9
203.14421	5.7
215.14407	42.4
216.14771	2.5
217.16232	0.6
221.84348	0.6
229.12387	1.0
245.18982	0.7
255.17551	3.8
273.18604	69.8
274.18875	5.4
289.21594	1.4
317.17575	100.0
318.17896	8.2
329.34433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	61.8
59.01385	1.0
61.63041	0.7
63.91177	0.9
65.38561	0.8
67.57246	0.7
70.70631	1.5
81.03462	1.0
83.05026	89.0
84.05354	1.8
95.05038	1.0
107.05029	3.1
109.06620	1.3
121.06538	1.1
135.08185	1.2
136.08957	2.3
137.09723	2.5
159.08121	2.1
163.11330	1.6
173.09790	1.0
189.12865	3.2
203.14397	7.4
215.14409	35.2
216.14804	3.1
221.84343	1.5
245.19138	1.0
255.17525	3.9
273.18597	86.3
274.18939	7.9
289.21671	2.1
317.17584	100.0
318.17950	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	317.1756
Annotation	9beta-Isobutyryloxy costunolide
Peak:m/z	Relative Intensity
54.35558	1.8
57.03450	36.0
69.41949	7.6
69.42354	3.1
74.02486	5.1
83.05027	8.1
95.05062	2.5
98.21899	5.0
113.60686	2.1
116.05082	3.3
123.04505	2.6
133.06590	2.9
135.04596	2.3
144.04651	3.4
159.08171	6.2
189.12871	11.4
191.14413	7.9
191.64893	2.1
203.14421	6.3
215.14355	17.9
251.09570	4.3
255.17632	2.9
273.18622	75.1
273.21762	4.1
274.18982	6.6
289.09866	3.3
289.21906	3.1
317.01401	2.8
317.17538	100.0
317.21170	23.7
318.17813	9.6
318.21179	3.0
318.79239	2.3
318.83609	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
69.30514	4.9
71.97859	1.0
81.07099	2.6
98.65091	0.9
103.58421	1.0
105.07108	1.0
108.49386	0.8
109.42715	0.9
125.22886	1.0
138.39444	0.9
203.06099	1.0
210.02159	0.8
210.26938	0.7
255.21106	2.3
257.19064	1.2
273.22244	45.5
274.22623	4.1
278.26685	1.0
305.21237	2.5
317.21207	100.0
318.21533	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	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
54.89962	0.5
60.04819	0.5
61.98833	0.6
63.20877	0.5
70.75880	0.8
79.21277	0.6
91.51594	0.5
98.73618	0.5
113.53310	0.6
272.83405	0.6
273.22192	1.7
313.61313	0.5
317.21222	100.0
318.21576	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	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
52.83766	0.6
60.91639	0.7
63.56511	0.7
67.14368	0.7
69.03450	1.6
69.44047	2.6
81.07100	1.8
95.05002	0.7
98.22577	1.5
128.96239	0.7
132.03917	0.6
157.28273	0.6
191.14366	0.8
255.21167	0.9
257.19067	1.1
273.22269	18.0
274.22696	1.2
291.23096	0.9
305.21158	1.2
317.21213	100.0
318.21558	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	317.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88699	0.3
69.03461	2.7
69.50954	0.4
71.13683	0.6
107.41444	0.4
115.39223	0.4
122.90627	0.4
123.22796	0.5
133.95555	0.5
149.71852	0.4
172.26044	0.4
245.18990	0.8
273.22330	1.3
317.21204	100.0
318.21536	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	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
60.48649	0.8
69.25365	4.4
77.41311	0.9
93.82160	0.7
101.56094	0.7
118.95100	0.7
130.75612	0.8
171.79832	0.8
225.12262	0.8
250.94414	0.8
257.19162	1.0
273.22232	36.5
274.22614	3.3
312.15387	0.8
317.21204	100.0
318.21533	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	317.2121
Annotation	8(S)-HEPE
Peak:m/z	Relative Intensity
60.99302	1.4
63.79854	0.4
69.13242	2.7
83.05057	0.4
87.94285	0.4
105.74217	0.5
123.08183	1.6
143.14206	0.4
220.91917	0.5
269.19061	0.8
271.20670	8.0
272.21048	0.9
284.17685	0.7
287.20154	1.1
299.20187	13.0
300.20496	1.4
317.21213	100.0
318.21591	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
61.98829	0.6
70.04875	1.3
81.07113	0.6
91.98396	0.4
95.05030	0.7
97.06582	2.0
98.22533	0.5
135.38763	0.5
155.04012	0.4
156.99129	0.5
220.26019	0.5
257.19141	3.0
271.20691	0.5
273.22241	43.5
274.22638	4.4
289.21704	0.6
291.23438	0.6
317.21213	100.0
318.21576	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
69.66488	0.4
69.66827	1.1
75.28560	0.4
79.48990	0.4
79.83766	0.4
81.07095	1.2
92.92802	0.7
98.22549	0.9
104.16469	0.3
109.06613	2.7
121.06544	0.5
122.03776	0.6
127.58832	0.4
135.11790	0.5
151.11290	0.4
169.40269	0.4
175.11261	1.1
215.14478	0.5
221.50864	0.4
257.19098	9.6
258.19443	0.8
259.20642	0.7
273.22244	13.1
274.22653	0.7
289.21826	1.8
317.21204	100.0
318.21545	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	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
50.87897	0.4
53.70330	0.4
55.28900	0.5
63.24317	0.5
68.96540	0.4
69.03466	0.7
69.67355	0.9
69.67740	1.1
81.07086	1.7
85.28748	0.4
109.06583	0.5
113.35326	0.5
154.59631	0.5
188.35721	0.5
189.13022	0.6
219.17517	5.1
220.18037	0.5
255.21144	1.4
257.19086	0.8
263.16550	0.8
271.20694	0.7
273.22235	13.6
274.22623	1.1
287.20178	0.6
291.23206	1.1
305.21130	2.2
317.21207	100.0
318.21552	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	317.212
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
69.03436	1.0
69.14076	1.5
69.14499	2.0
83.05023	32.8
84.05357	0.7
98.22710	1.0
121.48980	0.5
214.13589	0.5
219.17488	0.7
259.99930	0.5
273.22150	1.9
287.20547	0.6
317.21198	100.0
318.21524	11.4
318.25046	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.212
Annotation	CAY10410
Peak:m/z	Relative Intensity
60.61651	0.4
70.51447	1.0
74.44544	0.4
76.73899	0.4
97.06592	1.4
97.46508	0.4
98.69421	0.5
105.72927	0.4
119.27419	0.4
131.75301	0.4
142.09073	0.5
181.65588	0.4
201.12852	0.5
217.15927	0.8
219.17535	27.0
220.17899	1.7
263.16519	2.7
273.22232	5.3
317.21201	100.0
318.21548	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
56.81748	1.7
61.98806	3.0
63.76358	1.5
68.85240	1.7
87.85412	1.6
97.02898	2.3
122.03731	3.4
134.03688	1.8
150.01942	4.4
228.38989	1.9
254.85590	2.4
259.35858	1.8
273.22195	3.9
289.21576	3.2
303.14633	6.0
317.17615	6.9
317.21155	100.0
318.17490	10.1
318.21445	9.4
330.38434	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	317.2122
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
52.49102	0.5
61.04962	0.5
61.98822	1.0
69.52854	1.7
70.06403	0.4
75.00598	0.4
80.87653	0.4
92.92764	0.5
122.03742	1.0
152.93993	0.4
192.66611	0.5
234.61203	0.4
273.22232	0.6
289.21811	1.6
317.21198	100.0
318.17789	0.6
318.21570	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	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
58.88699	0.3
69.03461	2.7
69.50954	0.4
71.13683	0.6
107.41444	0.4
115.39223	0.4
122.90627	0.4
123.22796	0.5
133.95555	0.5
149.71852	0.4
172.26044	0.4
245.18990	0.8
273.22330	1.3
317.21204	100.0
318.21536	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	317.2121
Annotation	ISOSTEVIOL
Peak:m/z	Relative Intensity
53.87074	0.4
57.83886	0.3
60.99305	1.2
61.51985	0.4
61.98825	0.4
64.47350	0.3
66.29053	0.3
69.51610	0.8
69.51994	0.9
75.24966	0.3
113.06087	2.3
122.03667	0.4
125.09674	0.4
135.08170	6.1
167.15956	0.4
175.11301	1.1
178.38318	0.3
201.12930	0.4
203.14455	2.4
235.72652	0.3
239.18204	0.4
284.90869	0.4
289.21689	1.5
317.21207	100.0
318.21555	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	317.2123
Annotation	Agallochin H
Peak:m/z	Relative Intensity
57.02171	3.6
57.03430	3.8
59.01377	34.5
61.98812	3.5
69.03445	4.7
71.01374	12.8
83.05020	4.2
83.84444	3.0
92.60056	3.1
94.36775	3.2
109.06594	5.9
116.92860	5.3
122.03713	7.1
129.05573	7.4
141.05525	3.4
149.56534	3.2
163.14987	5.1
180.08069	2.9
181.07216	3.1
203.18066	14.4
258.78891	3.7
273.22232	7.6
289.21722	6.7
317.21216	100.0
318.21347	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	317.2121
Annotation	CAY10410
Peak:m/z	Relative Intensity
65.26669	0.4
69.03439	0.5
70.82721	0.9
74.49412	0.4
83.05026	24.8
84.05340	0.6
95.52911	0.5
97.66991	0.5
108.59142	0.5
120.24231	0.4
166.42461	0.5
175.11243	1.0
218.49747	0.5
245.23749	0.5
257.19113	2.2
273.22260	2.4
299.20032	0.9
317.21201	100.0
318.21533	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	318.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61897	0.8
56.53530	0.9
57.03452	1.4
58.16487	0.9
59.01382	100.0
59.62638	1.0
60.85245	1.0
71.46227	1.2
72.08412	1.0
84.47514	1.1
85.51272	1.0
125.02441	4.8
126.02776	1.8
127.13526	1.0
133.02962	1.6
135.04500	1.8
142.42018	0.9
144.93344	1.0
152.01070	1.9
156.80486	0.9
161.02391	1.5
163.23805	0.9
189.57648	1.0
192.04245	1.5
230.35968	1.0
245.33588	1.1
254.82681	1.1
290.07462	5.9
317.91470	2.2
318.06973	4.5
318.21478	2.9
319.22797	20.3
341.55222	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0282
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50557	0.7
53.01319	0.7
59.01373	1.5
67.83412	0.7
68.99570	79.6
71.01382	0.8
71.15004	1.2
81.94708	0.7
89.54720	0.7
92.95953	1.1
98.22049	0.8
100.22306	0.7
112.98566	100.0
127.05103	2.1
130.08740	5.7
133.01567	1.6
147.96597	0.9
150.04208	3.3
152.07184	1.8
153.04262	0.7
176.96422	1.2
176.98116	5.3
177.98215	0.8
199.07320	0.8
204.02837	2.0
206.04404	4.1
269.96704	0.8
284.11417	0.7
319.08987	1.3
319.12790	27.8
319.22827	2.9
320.06305	0.8
320.12952	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	319.0588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97516	5.0
59.01379	100.0
61.98828	6.4
69.03442	5.0
70.94942	9.8
71.01379	38.8
89.02445	22.1
101.02445	15.1
113.02454	12.2
119.03490	13.1
121.02979	48.8
125.09750	13.7
145.50771	6.2
146.08250	13.2
157.08679	16.3
162.05487	7.3
187.09758	51.8
200.62708	5.2
201.99516	6.8
213.86824	6.8
217.11977	5.8
249.57339	6.6
277.12332	14.3
301.12271	6.7
319.13916	68.1
319.22824	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
57.03451	13.8
57.50843	1.2
59.01381	2.5
68.67677	1.2
69.03455	1.9
70.67132	1.5
71.01363	4.3
74.20124	1.3
81.03432	2.8
83.01380	5.5
83.05020	3.5
89.70537	1.3
91.58053	1.2
93.03460	27.2
93.86711	1.2
95.23061	1.2
96.99321	1.8
99.00878	1.3
101.36137	1.2
109.02930	3.2
111.04535	9.2
115.35237	1.4
117.03476	6.1
119.05029	65.1
120.05338	1.7
121.02950	8.4
123.04435	1.6
125.02449	100.0
129.01932	12.1
133.02939	4.5
135.04507	2.1
137.02431	27.3
139.04024	2.0
144.04503	2.5
144.62338	1.4
145.02968	10.9
146.06117	5.6
149.02386	3.4
151.03961	1.4
153.29713	1.3
155.03497	17.6
159.04506	3.0
161.02441	44.0
162.02940	2.9
163.00377	2.8
163.04012	66.4
164.01115	7.1
164.04253	2.9
165.01924	6.4
173.04564	1.5
175.04045	2.9
177.01944	1.4
178.99855	1.5
183.04565	1.3
189.06723	10.7
199.04077	1.7
201.05579	1.8
203.08241	2.3
207.71075	1.2
222.83081	1.5
225.05566	3.4
235.10313	1.6
241.04968	1.5
269.04590	11.9
283.07175	2.6
287.05609	23.6
288.05948	2.0
290.15811	1.3
313.26669	1.4
319.08316	14.9
319.22794	31.2
320.23047	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04750	0.5
57.03447	12.5
63.96257	0.5
69.18842	3.4
83.01394	1.3
93.03471	1.1
93.60712	0.6
95.01401	0.7
97.02941	1.7
108.02198	0.9
108.41465	0.5
109.02947	2.1
120.02168	2.1
121.02970	4.4
123.15081	0.6
125.02448	100.0
125.71201	0.5
126.02789	2.4
133.02931	2.8
137.02461	7.6
138.94717	0.5
139.03996	0.7
149.02438	1.2
161.02443	21.7
162.03236	1.3
163.00381	1.0
164.01163	18.3
164.02556	0.9
165.01938	28.6
166.02240	0.8
175.04008	0.6
177.01970	1.4
177.46254	0.5
187.09656	0.5
195.66591	0.5
197.04538	11.5
201.05588	1.3
203.03519	1.3
211.42802	0.5
215.07141	0.8
217.05043	0.5
232.20726	0.5
243.06570	1.5
259.05951	0.5
269.04669	1.1
287.05634	5.8
319.08249	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	319.0822
Annotation	CHEMBL465620
Peak:m/z	Relative Intensity
50.25467	0.5
52.36013	0.5
57.03461	2.1
59.01380	2.5
61.98840	0.9
65.00340	2.2
67.01907	1.1
68.99834	1.9
69.03464	1.2
69.36070	0.5
71.16175	0.5
78.72250	0.5
81.03479	1.3
83.01383	14.3
85.02972	1.0
93.03479	0.6
95.03553	0.5
95.05042	0.8
97.06590	0.5
102.05607	6.6
103.05939	0.5
107.01385	3.2
109.02951	6.0
111.00899	0.8
116.05064	0.7
120.02170	1.5
121.02947	0.7
124.04085	0.5
125.02453	13.0
125.09679	0.9
128.03534	10.9
128.05005	0.8
132.04486	0.7
133.02971	1.2
135.04541	1.4
137.02440	9.5
144.04570	3.5
146.03575	0.7
146.04590	7.5
146.06110	5.9
146.08272	0.6
149.02412	0.7
151.00371	17.3
151.03929	0.6
153.01933	100.0
154.02266	3.9
161.02435	2.2
163.00339	0.8
164.01154	14.9
165.01913	4.1
165.05566	0.8
172.04036	2.4
177.01933	0.7
179.03613	0.6
187.09746	2.7
189.06779	1.9
190.05148	2.5
190.06621	0.5
197.04477	0.7
200.04814	0.6
215.07028	0.6
224.04739	1.4
240.04243	2.2
251.03453	0.7
268.03778	2.7
275.10233	1.7
283.06085	5.9
286.04581	0.6
301.07156	3.4
312.84695	0.5
319.08301	24.4
319.13809	1.0
319.22754	19.5
320.08499	1.7
320.23053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0824
Annotation	4-Coumaroylshikimate
Peak:m/z	Relative Intensity
51.85359	1.7
56.28135	1.7
59.01379	3.5
70.88269	1.9
83.05022	4.3
85.02974	1.7
88.17058	1.8
93.03464	41.7
111.04526	9.0
111.16802	1.7
115.62472	1.6
117.03463	7.7
117.25216	1.6
119.05028	97.8
119.58186	1.9
120.05347	3.3
125.40793	1.8
134.03720	5.9
137.02434	31.9
145.02956	20.1
149.06068	9.1
155.03505	25.5
163.04007	100.0
164.04295	2.7
204.06673	2.9
210.04686	1.8
262.24796	2.0
303.13467	5.3
304.14169	3.2
319.08221	23.4
319.16656	12.4
319.22806	28.8
320.23502	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	319.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.3
71.42286	7.3
102.05616	60.0
103.33708	6.5
128.03532	100.0
128.05064	9.1
130.21506	5.6
140.27249	5.7
144.04517	32.7
146.04588	48.1
146.06137	47.9
172.04045	15.0
189.06699	12.9
190.05063	21.1
275.10260	11.3
301.08109	10.8
319.09293	43.8
319.22589	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	319.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.1
57.03456	7.3
58.02971	1.8
59.01383	6.1
61.20884	1.2
70.02971	4.3
70.91698	1.1
71.01382	37.6
73.02945	1.3
85.02955	7.5
92.67208	1.2
96.00931	1.5
96.99303	14.0
98.02469	4.0
113.03593	1.3
114.01978	11.5
115.00340	2.3
116.05059	4.5
122.06207	1.2
128.05051	5.6
129.01947	100.0
130.02281	3.2
131.04616	3.0
132.04550	9.5
140.07114	3.0
144.04552	27.5
145.04906	1.8
146.04628	3.5
146.06117	38.8
147.06430	1.8
157.08682	1.7
158.06148	1.8
162.05597	5.3
170.04805	1.8
171.05635	7.3
172.04031	8.4
172.07640	1.5
189.06699	86.8
190.07047	4.5
199.08737	4.9
205.19919	1.5
217.09917	1.6
243.07735	5.9
277.12866	1.7
287.06799	9.4
302.11331	3.2
319.09317	5.0
319.13242	2.0
319.22766	13.5
320.12503	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	319.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.4
64.65756	0.9
67.49713	1.1
71.01381	27.7
71.25845	1.2
85.02946	12.0
96.99313	12.8
98.02504	3.3
110.02457	1.5
113.24186	1.2
114.01968	3.6
115.00378	2.3
116.05069	3.9
128.05066	6.9
129.01942	100.0
130.02257	1.6
132.04552	11.7
134.16072	1.0
139.48666	1.1
144.04543	25.0
145.04782	1.6
146.04602	4.4
146.06117	36.6
162.05585	5.8
163.58809	1.1
170.04802	2.3
171.05615	6.3
172.04060	8.5
189.06689	88.6
190.07019	3.8
197.61975	1.2
199.08759	4.2
243.07808	3.0
287.06778	10.0
319.09302	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	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61271	1.1
59.01371	6.8
61.98860	1.2
69.03460	1.6
69.28017	6.8
71.01385	2.5
72.00945	1.2
84.95991	1.1
87.96211	1.2
88.09779	1.3
93.03438	1.4
95.05013	2.2
109.01721	1.9
110.02451	2.5
112.04047	13.4
116.05132	1.2
119.05006	1.7
120.04587	6.5
121.05357	10.4
122.06136	13.7
123.03271	16.0
123.06445	1.4
124.04050	17.9
125.97487	1.2
131.27107	1.2
134.06107	1.6
136.07692	89.9
136.25705	1.4
137.06119	9.5
137.08000	4.9
138.05617	100.0
139.05934	2.4
140.07169	4.4
150.05545	1.3
171.10229	1.3
182.04616	6.2
183.05420	6.9
184.06148	25.9
203.08212	2.9
214.12410	1.3
215.16678	1.3
242.10507	1.8
257.12967	17.3
278.93509	1.3
279.42245	1.2
283.07248	1.5
319.13034	5.6
319.22784	19.8
320.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61271	1.1
59.01371	6.8
61.98860	1.2
69.03460	1.6
69.28017	6.8
71.01385	2.5
72.00945	1.2
84.95991	1.1
87.96211	1.2
88.09779	1.3
93.03438	1.4
95.05013	2.2
109.01721	1.9
110.02451	2.5
112.04047	13.4
116.05132	1.2
119.05006	1.7
120.04587	6.5
121.05357	10.4
122.06136	13.7
123.03271	16.0
123.06445	1.4
124.04050	17.9
125.97487	1.2
131.27107	1.2
134.06107	1.6
136.07692	89.9
136.25705	1.4
137.06119	9.5
137.08000	4.9
138.05617	100.0
139.05934	2.4
140.07169	4.4
150.05545	1.3
171.10229	1.3
182.04616	6.2
183.05420	6.9
184.06148	25.9
203.08212	2.9
214.12410	1.3
215.16678	1.3
242.10507	1.8
257.12967	17.3
278.93509	1.3
279.42245	1.2
283.07248	1.5
319.13034	5.6
319.22784	19.8
320.22986	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90633	2.0
57.03440	2.3
58.02961	7.8
59.01377	82.6
69.99665	4.7
70.02972	31.1
70.61060	2.0
71.01366	4.4
71.05010	29.8
72.00900	1.7
72.99295	1.7
74.02499	1.5
83.01399	8.6
83.01809	1.9
87.00849	2.3
87.05626	7.9
97.04053	4.3
99.04524	3.5
102.05592	6.9
102.98605	2.2
103.44832	1.7
103.82935	1.7
109.02975	3.8
111.05665	1.7
114.31406	1.5
116.07201	2.1
118.03329	4.1
125.02432	17.8
128.03517	12.1
128.07172	46.6
129.05714	2.2
129.06696	11.5
129.07527	2.1
130.03320	29.7
133.02957	2.6
135.04504	5.3
137.02386	9.1
144.04514	5.0
146.04597	7.2
146.06306	3.1
146.08224	85.9
149.05678	1.8
151.00365	10.5
153.01936	46.0
161.02440	7.7
164.01157	9.2
165.01900	4.4
172.04094	3.2
174.99176	1.8
178.07581	1.7
179.03477	4.0
187.09747	4.0
189.06944	7.8
190.05136	3.3
199.10902	6.1
211.09167	4.5
217.11906	21.1
222.14476	1.8
229.10179	5.3
259.11176	16.5
277.12250	100.0
278.12546	7.0
283.05975	2.6
319.08536	15.7
319.13306	4.9
319.22751	87.6
320.23056	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	319.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41093	1.2
59.01380	3.4
63.27929	1.2
69.03471	2.4
71.73547	1.3
73.82977	1.3
77.96989	1.2
79.04266	1.2
83.24327	1.3
131.90491	1.3
132.10970	1.3
161.23145	1.2
169.15968	1.3
170.43565	1.5
173.29639	1.3
176.90880	1.3
183.69019	1.4
188.50246	1.4
205.15909	2.1
208.52821	1.3
215.14380	2.7
240.19699	1.5
275.20209	3.0
275.23535	1.3
276.20386	1.4
277.14456	67.5
278.14755	6.1
298.66965	1.3
319.15640	24.7
319.19357	6.4
319.22739	100.0
320.15442	5.8
320.23221	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	319.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02977	6.3
59.01370	5.2
61.98812	3.7
68.18027	2.6
69.03462	3.3
71.45484	2.8
72.00917	5.2
75.23129	2.4
76.53677	2.4
78.74010	2.4
91.05543	22.0
112.07658	3.0
121.06630	2.5
129.10342	71.4
129.11308	4.6
147.04518	26.7
153.10356	3.6
154.08745	11.6
164.07167	62.0
171.11378	53.0
218.87495	4.1
233.16591	31.2
275.17679	4.1
277.15509	2.6
301.14615	6.2
319.16629	100.0
319.22592	40.4
320.16846	9.4
320.23141	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	319.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12041	0.5
52.93173	0.5
52.96892	0.5
57.03456	0.8
59.01379	100.0
60.01714	0.9
63.70105	0.5
66.79671	0.5
69.50543	2.4
71.01385	4.0
73.02966	2.0
83.01413	1.3
85.02945	2.8
91.05556	0.6
95.01399	0.8
101.02435	5.3
112.98808	0.6
113.02481	1.7
129.10330	2.4
135.04568	0.8
147.04588	0.6
157.64653	0.5
161.04591	1.7
162.02782	0.6
164.07156	2.0
171.11435	1.7
200.79776	0.5
233.16724	1.0
262.36087	0.5
274.09534	0.5
277.16534	6.8
319.16635	3.4
319.22595	3.8
320.16757	0.5
344.21637	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1912
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
53.30424	0.9
54.69220	0.7
55.00967	0.7
57.03454	1.4
59.01382	0.9
59.65464	0.6
65.58804	0.7
71.44599	0.8
77.05045	0.7
80.74013	0.7
83.05025	100.0
84.05356	2.3
85.02826	0.6
107.26540	0.7
108.53979	0.6
112.89937	0.7
173.58267	0.7
191.14334	1.2
222.47818	0.8
267.53302	0.7
275.20157	11.6
285.45908	0.7
291.43253	0.8
319.15591	4.1
319.19125	67.4
319.22495	2.8
320.19531	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1916
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
50.54776	1.9
51.25823	1.9
56.03714	1.9
57.63304	1.9
61.98831	3.1
88.08495	2.5
90.28680	2.2
92.92763	2.6
100.69974	2.1
102.86716	2.2
120.29607	1.9
123.44551	2.4
175.46214	2.0
257.19052	6.5
260.87292	2.5
265.23663	2.2
265.94696	2.1
275.20175	97.9
276.20535	6.4
283.19031	2.6
319.19116	100.0
319.22739	22.6
320.19440	10.9
320.22934	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	319.1914
Annotation	Cespihypotin T
Peak:m/z	Relative Intensity
57.03436	1.6
57.80096	0.5
69.57664	2.2
81.45546	0.6
83.05025	100.0
84.05370	2.3
135.08286	0.8
137.09744	1.6
141.39932	0.5
191.14442	0.7
233.19157	1.4
247.20923	0.6
257.19135	7.4
258.19540	0.6
263.17206	0.6
275.20154	13.9
276.20444	1.3
277.18060	4.0
319.19150	80.3
320.19507	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	319.1913
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
51.41264	0.7
56.11676	0.7
58.26130	0.7
70.11170	0.9
70.11513	1.9
83.05035	1.6
108.05613	0.7
196.91788	0.8
197.36070	0.8
275.20157	76.3
276.20477	6.5
301.14539	0.8
301.18185	1.2
319.19141	100.0
320.19519	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	319.1913
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
53.04876	0.4
57.03450	2.6
58.04712	0.4
60.88206	0.4
68.99822	2.2
69.03452	1.7
83.05023	79.8
84.02161	0.7
84.05350	1.9
85.02950	0.8
95.67877	0.4
97.02957	0.4
101.42582	0.4
115.66580	0.4
137.09694	2.1
150.79416	0.4
191.14528	0.7
245.19014	0.5
247.20471	0.5
257.19086	11.7
258.19485	0.6
261.15121	0.5
275.20142	35.4
276.20541	2.8
301.18161	2.6
319.19162	100.0
319.22687	9.4
320.19485	9.7
320.22980	0.7
332.02386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1914
Annotation	ent-17-Nor-3,8-dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
53.02504	1.3
57.03445	1.8
61.98826	1.8
67.42705	1.0
69.03446	3.5
69.54398	1.8
69.54768	2.1
83.05025	100.0
84.05367	1.5
85.02926	1.8
107.05003	3.1
109.06569	1.8
135.22144	1.2
137.09695	1.7
145.09970	1.2
161.13596	1.2
257.19009	3.2
275.20160	18.5
301.14600	1.7
319.15662	4.1
319.19061	84.0
319.22714	23.1
320.19336	6.9
320.22876	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	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03442	1.2
61.98811	0.6
69.03457	15.2
69.78729	0.5
69.79037	1.0
71.05013	1.7
83.05025	0.6
85.02925	0.6
96.95977	0.5
98.22598	0.8
104.35583	0.6
188.90553	0.6
212.42743	0.7
237.14914	0.7
247.20653	7.1
259.20581	2.3
273.29346	0.6
275.20370	1.0
275.23730	1.6
276.23834	0.5
276.47702	0.6
319.19382	5.4
319.22745	100.0
320.19620	0.9
320.23065	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	319.2277
Annotation	19(R)-HETE
Peak:m/z	Relative Intensity
69.03453	2.0
69.86385	1.1
69.86712	1.5
81.03466	1.3
83.05025	16.5
84.87737	0.6
85.02946	1.0
98.03717	0.7
124.54107	0.7
224.92017	0.9
254.27362	0.8
257.18988	1.3
263.08774	0.8
275.20160	8.0
297.67841	0.7
301.18073	1.1
319.19092	51.5
319.22754	100.0
320.19434	4.8
320.23117	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	319.2275
Annotation	19(R)-HETE
Peak:m/z	Relative Intensity
57.03452	1.9
61.98832	1.1
69.03453	14.0
69.10965	5.7
71.05011	2.5
83.05020	25.9
85.02953	1.0
101.45748	1.0
137.09671	1.1
177.27644	0.8
194.73422	0.8
247.20630	4.6
254.42566	0.9
257.19092	3.4
259.20578	1.1
275.20169	7.8
275.23288	1.4
276.20624	1.2
301.18134	1.3
319.19095	34.7
319.22751	100.0
320.19501	2.1
320.23120	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	319.2278
Annotation	19(R)-HETE
Peak:m/z	Relative Intensity
59.01363	0.7
61.98838	0.6
70.15930	1.3
78.71989	0.6
81.77991	0.5
83.05022	1.1
85.02939	0.7
98.22587	0.7
153.81415	0.6
192.95786	0.7
242.70410	0.7
260.87378	0.8
265.48627	0.6
275.20279	0.8
275.23523	0.6
277.14444	2.3
301.21692	2.5
319.22766	100.0
320.23151	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	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
50.01189	0.6
50.56834	0.6
56.27949	0.6
59.01364	0.8
60.99302	1.2
61.98800	0.8
69.40015	3.4
97.02969	0.6
140.49165	0.8
187.29399	0.7
203.14441	2.1
215.65932	0.6
238.91930	0.7
260.87308	0.9
273.22266	2.9
275.23807	2.5
289.21835	3.6
293.25049	1.0
299.38657	0.7
319.22748	100.0
320.19366	1.1
320.23041	10.1
339.23126	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2277
Annotation	19S-HETE
Peak:m/z	Relative Intensity
53.27674	0.5
55.49782	0.5
58.81253	0.4
67.52465	0.5
69.38927	2.5
86.60818	0.5
98.22655	1.0
101.32599	0.6
155.12318	0.6
234.28201	0.6
319.22763	100.0
320.23016	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.2276
Annotation	19S-HETE
Peak:m/z	Relative Intensity
57.03441	2.0
60.56996	0.5
65.11155	0.4
69.03456	21.1
69.49988	2.1
70.03781	0.5
71.05029	2.7
93.16075	0.5
171.46400	0.5
178.10616	0.5
191.04460	0.5
192.67165	0.5
218.87511	0.5
234.91582	0.6
247.20679	8.1
248.20961	0.9
259.20682	2.6
275.23792	1.4
297.17789	0.5
309.39532	0.5
319.22778	100.0
320.23102	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	319.2277
Annotation	Epivittadinal
Peak:m/z	Relative Intensity
69.03458	3.3
69.33665	7.7
70.63678	2.1
98.22649	4.2
108.75203	2.5
109.82169	2.0
170.93445	1.8
174.39015	2.1
177.12752	3.1
191.14441	2.2
259.20636	24.5
273.22311	5.6
275.23798	47.8
276.24133	5.1
277.21704	3.6
285.55005	2.2
293.24872	15.6
319.22739	100.0
320.23145	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	319.2278
Annotation	20-HETE
Peak:m/z	Relative Intensity
63.26219	0.3
70.96429	0.4
83.05014	0.4
109.06596	0.8
111.08133	0.6
119.93887	0.4
170.13617	0.3
177.12830	0.5
191.14441	1.5
235.17149	0.5
245.48601	0.4
257.19208	0.7
271.20679	2.2
273.22247	24.5
274.22687	2.0
280.08386	0.4
301.21860	0.7
305.21155	0.5
319.22769	100.0
320.23111	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	320.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63651	1.6
58.02976	31.1
58.90636	1.4
59.01387	13.4
62.19810	1.6
65.94763	1.6
69.51422	6.8
70.02979	46.2
71.01383	6.7
80.96500	2.3
81.95985	1.6
85.04091	3.4
89.02450	2.3
95.02537	2.8
96.00920	35.6
101.02441	3.3
111.02037	2.1
113.03575	22.4
114.01976	100.0
119.03407	1.9
123.04538	16.5
131.04623	45.8
141.09171	2.0
146.06123	92.5
147.06400	3.8
159.10313	3.6
164.51955	1.8
172.07629	3.0
185.95358	1.8
187.08820	2.6
199.08876	2.8
200.07188	3.3
217.09801	29.2
243.07773	24.9
274.12149	3.3
285.09720	2.1
302.11472	47.1
303.11899	3.6
320.12527	78.7
320.15845	2.9
320.22943	3.3
321.12479	3.2
321.15927	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
70.76849	0.5
77.12199	0.3
79.95735	17.6
80.96516	6.0
88.11964	0.3
88.50440	0.3
93.97313	0.8
100.22080	0.4
106.98083	6.7
108.90105	0.3
121.11162	0.3
124.00745	16.6
125.96287	0.4
126.23534	0.3
149.98663	34.3
150.98985	0.8
154.38643	0.3
165.26729	0.3
169.16043	0.7
170.23248	0.3
174.34328	0.3
176.03818	0.9
194.04898	0.9
208.89948	0.3
213.29398	0.3
227.79364	0.4
239.36839	0.3
250.11246	0.6
262.36407	0.3
319.09244	0.3
320.15344	100.0
321.15613	6.8
342.71826	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57464	8.4
58.59543	8.8
59.01368	30.4
62.28678	8.6
62.88977	9.5
84.79669	8.7
87.00891	14.2
103.60197	10.6
118.03761	10.7
133.02982	13.5
135.04539	18.0
161.02444	24.3
229.50342	9.0
320.23132	100.0
321.17072	21.9
342.12347	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	320.1866
Annotation	Croomine
Peak:m/z	Relative Intensity
56.26801	8.1
59.01376	24.8
61.98838	12.8
67.44472	7.1
69.54938	32.9
74.39417	7.2
76.78451	6.8
77.16241	7.2
83.05020	9.9
96.00912	25.6
97.84757	7.8
108.04520	7.5
133.04922	8.5
135.64658	8.4
151.07645	15.3
168.10292	32.5
178.12378	11.5
207.83482	9.4
212.12901	44.4
222.11340	52.9
238.10742	10.0
239.11760	12.5
276.19943	20.8
287.16629	12.9
290.18991	13.6
302.17685	13.8
320.18845	100.0
320.23050	79.6
321.16577	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	320.2232
Annotation	Malycorin A
Peak:m/z	Relative Intensity
50.27591	11.1
50.87311	10.7
61.98818	12.2
69.79788	10.6
73.51986	9.6
80.70493	9.4
84.83066	11.3
117.48956	10.0
121.28176	11.8
199.25491	10.7
205.22717	10.8
277.21777	20.9
320.19482	25.4
320.23080	100.0
321.20639	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32963	1.1
58.32186	1.3
59.01374	12.0
64.98827	1.2
69.39832	5.8
71.01381	7.9
73.02949	1.7
80.05083	1.4
82.06611	1.3
85.02929	2.0
89.02455	3.2
97.06589	2.2
99.00993	1.2
101.02446	5.8
106.06618	1.5
108.04574	2.1
110.06116	4.9
113.02433	2.6
117.14886	1.3
119.03578	1.7
121.05299	3.0
122.06107	7.8
134.06125	14.5
135.06924	19.5
136.07713	6.8
138.05583	3.8
140.07191	29.6
149.04837	8.7
150.05579	2.9
152.07190	3.6
160.04060	2.5
161.04506	1.9
162.05626	15.8
163.06331	2.3
164.01172	2.0
164.03531	4.8
164.07176	13.5
166.05083	5.8
167.05858	6.1
191.38661	1.3
261.12485	3.5
273.12457	3.1
289.88477	5.4
292.34622	1.3
303.13501	100.0
304.13928	8.8
321.14423	11.4
321.90994	1.6
328.87616	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43639	1.4
59.01379	100.0
60.01708	1.6
67.92483	1.8
71.01373	4.4
76.08933	1.5
79.10326	1.5
89.02472	3.9
96.96004	2.6
101.02457	2.0
123.11583	1.6
136.07704	6.8
145.95157	1.5
165.45210	1.7
207.82690	1.6
251.01862	1.8
321.20596	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	321.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.7
56.77679	1.2
57.03453	2.2
57.89947	1.2
59.01381	100.0
70.41843	1.3
70.42172	1.9
71.01381	45.5
72.99323	1.8
73.02931	2.2
73.84352	1.5
83.01402	1.4
85.02945	9.4
87.00909	1.8
89.02446	45.8
90.20562	1.2
94.88296	1.5
95.01388	2.2
101.02445	32.0
113.02449	17.0
119.03499	22.5
119.05049	2.7
131.03519	2.2
141.09238	8.1
143.03511	1.3
147.04591	1.5
153.05612	1.6
159.10295	4.6
163.04056	1.7
179.05553	2.9
189.01961	1.4
190.02711	2.1
191.03523	3.0
191.90556	1.3
205.05139	5.1
219.02901	3.2
227.08315	1.3
234.05466	1.4
247.02510	2.4
249.07709	1.2
262.04858	3.5
279.11639	1.4
284.32205	1.3
289.97015	1.3
291.23059	1.4
321.15567	93.3
322.15912	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1705
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01873	2.6
57.03440	2.8
59.01380	3.4
65.03970	2.0
69.36472	2.9
69.36858	3.3
71.05004	5.9
73.02940	1.9
78.53120	1.3
80.60340	1.3
81.03458	12.9
83.05033	3.4
85.06557	1.6
93.03465	7.7
94.03795	1.5
95.01383	3.0
95.05022	13.8
96.96019	2.7
97.02945	2.5
97.06621	7.2
99.04527	13.0
105.07093	1.8
106.04220	2.1
107.05036	2.8
108.02152	3.1
109.02941	3.2
109.06569	18.3
109.39854	1.7
110.03723	1.8
111.08162	1.9
119.05047	2.9
121.02907	3.0
121.06614	3.6
122.03741	4.4
123.04557	4.9
123.08165	18.5
125.06056	1.9
125.09729	16.1
133.06601	7.8
135.04524	3.6
135.08173	2.8
136.05284	5.4
137.06082	42.5
137.09782	1.6
138.06363	1.7
139.07681	2.3
139.11349	11.4
149.06076	12.1
149.09700	1.9
151.07646	20.2
160.05315	2.5
167.07224	2.1
168.12785	1.5
171.10252	12.3
177.12848	2.7
185.11821	2.1
187.11371	1.7
191.10901	1.9
193.12311	1.8
193.15968	1.9
199.13445	3.4
201.11330	1.5
203.14330	1.4
211.13422	6.6
213.11336	2.0
219.13849	2.9
221.11836	4.3
223.13405	1.8
231.17331	2.0
235.13458	2.9
237.14917	18.5
241.15977	6.6
248.44505	1.5
251.12836	8.3
252.98080	1.7
259.16986	3.2
265.14502	9.5
274.12271	1.7
277.18155	3.0
280.33386	1.6
285.14981	8.4
303.16003	54.3
304.16397	3.8
321.17056	100.0
321.23770	17.5
322.17410	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1707
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
59.01374	2.6
69.14666	12.7
71.01400	2.0
85.02979	2.1
98.21863	4.0
104.96723	1.9
106.40362	1.9
107.05007	3.3
109.06561	3.2
135.08203	1.9
175.11249	4.2
187.11165	4.5
189.12865	2.3
191.14420	21.2
199.11368	3.0
201.12834	5.0
203.14369	21.1
213.16557	2.5
215.14386	6.0
217.12321	11.7
219.17580	3.9
229.15985	6.8
231.17516	65.9
232.17802	3.8
241.16045	2.5
248.30612	2.1
257.15482	2.3
259.17004	55.5
260.17331	4.3
321.17041	100.0
322.17383	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	321.1707
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.88383	1.4
54.98055	1.6
57.03441	5.3
59.01374	5.7
61.98830	2.1
66.99817	1.5
69.03455	2.7
69.66069	4.4
71.01392	2.3
71.05016	13.6
73.02962	3.8
80.02672	3.5
81.03456	10.2
83.05040	4.9
87.81595	1.5
93.03462	13.6
95.05031	61.1
97.06612	11.3
98.22675	1.5
99.04534	1.6
107.05029	13.4
108.02202	1.8
109.02966	1.3
109.06590	20.0
111.04527	12.2
111.08233	1.3
113.06087	1.5
119.04995	1.5
121.02986	9.6
121.06583	6.2
122.03747	5.6
123.04536	4.5
123.08176	8.6
125.08804	2.9
125.09733	59.9
126.10111	1.9
133.06653	1.7
135.04517	9.4
135.08221	2.4
136.05312	4.1
137.06122	4.9
139.11290	3.0
149.06102	13.9
150.06514	1.5
151.07660	100.0
152.08026	4.9
161.09694	2.3
165.05580	5.0
167.07133	10.4
167.10777	3.4
170.14676	1.4
171.10268	23.4
177.12843	2.8
178.06363	6.0
178.57298	1.3
185.11855	22.6
187.09761	1.9
203.14343	1.6
205.12338	4.4
219.10211	1.4
219.13942	2.2
221.11806	3.5
221.15459	2.5
223.09808	1.8
223.13332	8.0
233.19136	2.3
235.13429	2.1
237.11357	4.0
237.15004	3.0
247.13409	6.3
249.11369	4.2
259.16962	2.2
263.12805	3.9
265.14471	32.4
266.14728	1.5
269.41919	1.3
275.16522	2.2
277.18082	3.7
277.21741	7.3
279.16037	3.1
285.14960	4.2
293.17609	3.9
303.16016	16.2
304.16272	1.8
314.14990	1.5
321.07755	1.9
321.17056	37.0
321.20721	9.8
322.17331	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	321.1708
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
55.01865	1.1
57.03436	3.2
59.01375	4.1
65.03948	1.9
70.96465	1.4
71.05022	6.8
80.02661	1.4
81.03462	11.1
83.05033	2.1
85.02943	1.4
92.28349	1.3
93.03454	4.3
95.01373	2.2
95.05009	7.9
97.06589	6.5
99.04527	11.3
107.04999	2.8
107.08630	1.6
108.02192	2.6
109.06593	11.8
121.02924	2.8
121.06553	3.4
122.03723	4.9
123.04510	4.2
123.08173	20.0
125.09737	10.8
131.05006	1.6
133.06592	4.2
135.04527	1.7
135.08136	2.5
136.05304	3.9
137.06090	35.5
137.09645	1.3
139.11273	5.1
140.44003	1.3
149.06100	12.7
151.07629	17.5
160.05150	1.5
164.04784	1.5
167.07114	2.2
171.10249	10.1
174.06778	1.7
177.12805	1.7
183.10260	2.9
185.11836	3.1
189.12814	1.8
191.10817	2.4
199.13393	4.2
203.14426	2.4
207.14015	1.7
211.13390	4.0
213.11302	2.4
219.10199	1.3
219.13730	1.6
221.11778	4.9
223.13489	1.3
233.11743	2.9
235.13405	1.4
237.14961	12.6
241.15979	3.6
243.67247	1.3
251.12814	10.0
251.16640	1.6
259.16925	2.4
263.13058	1.9
265.14441	4.2
277.18033	3.2
285.15018	7.4
303.12531	2.4
303.16025	46.6
304.16315	4.1
320.22995	3.5
321.17041	100.0
321.23557	11.4
322.17462	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	321.1706
Annotation	alpha-Zearalanol
Peak:m/z	Relative Intensity
51.17857	2.1
57.03438	5.6
58.02190	2.3
59.01382	4.7
66.77490	2.1
70.16938	5.6
71.05012	11.5
74.55440	2.7
81.03465	4.7
85.02962	3.0
93.03480	9.0
95.05025	66.0
97.06600	10.1
107.05050	6.6
109.06615	14.7
111.04530	3.8
113.45116	2.2
121.02968	8.4
122.03699	2.8
123.04507	3.0
123.08152	8.0
125.09727	57.0
130.08757	6.1
133.06592	3.0
135.04524	5.5
136.05247	3.2
137.06073	7.8
139.11247	2.8
149.06102	4.0
151.07648	100.0
152.07982	4.9
167.96826	2.0
171.10307	9.3
178.06419	3.6
185.11826	17.3
223.13383	8.5
237.11305	3.2
237.14851	3.2
244.92831	2.2
247.13351	3.0
265.14462	36.6
266.15002	3.1
279.15875	3.0
285.15207	2.7
303.15988	10.4
321.17133	59.1
321.20685	9.5
322.17194	4.1
322.20657	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	321.2071
Annotation	(plusmn)8-GINGEROL
Peak:m/z	Relative Intensity
58.60682	0.9
70.90874	1.4
95.01384	1.4
96.02164	4.9
96.96008	1.1
99.91114	1.0
123.00861	2.4
124.01678	7.7
152.01154	8.2
165.01961	1.9
166.02733	2.6
169.04512	0.9
190.93614	0.8
212.61569	0.9
255.71254	0.9
293.21167	6.2
321.20709	100.0
322.21024	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2069
Annotation	ent-8beta,16-Dihydroxy-17-nor-6,13E-labdadien-15-oic acid
Peak:m/z	Relative Intensity
55.01548	2.8
59.01367	5.5
62.08864	3.0
69.69038	7.8
69.69411	6.4
69.99454	2.9
71.05007	8.2
81.03468	3.2
98.22644	6.5
105.32968	3.3
111.04528	15.4
111.28139	3.4
123.08194	3.5
126.81102	3.4
130.08731	4.9
137.06055	7.5
151.07637	4.5
177.12788	7.2
247.20607	18.6
259.20654	7.3
289.18106	4.5
291.19684	54.8
292.19812	4.9
303.16147	7.8
303.19626	100.0
304.20004	8.5
306.18472	3.7
321.16980	19.2
321.20654	41.9
321.24350	28.0
322.20938	6.8
333.98514	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	321.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	10.9
61.98830	1.7
69.03448	1.2
69.69634	4.4
76.62981	1.1
83.04993	1.8
95.05019	1.7
97.06577	1.5
107.05009	1.2
108.29116	1.3
109.06599	2.0
111.08117	1.1
120.05712	1.3
127.18520	1.3
146.07353	2.3
148.08919	2.0
149.09781	1.2
151.11218	3.0
153.12900	1.7
165.12856	6.9
175.09874	1.2
175.11249	2.8
177.12859	1.3
191.10788	10.8
191.14433	4.5
193.12457	1.4
203.14375	2.0
216.15196	1.5
217.15872	2.7
229.16014	1.4
237.11301	4.1
245.19078	29.0
246.19415	2.4
247.17021	3.3
259.20770	2.3
261.18616	3.0
271.17075	3.7
275.23752	3.8
289.18082	100.0
290.18451	9.2
306.18332	1.4
321.20624	68.7
321.24222	44.0
322.20889	7.9
322.24628	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2434
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
51.88397	0.9
59.01374	21.3
61.98833	1.3
69.03451	1.2
69.38409	3.2
71.01411	0.9
72.56027	0.8
75.99990	0.8
78.92498	0.9
95.05011	0.9
96.95975	0.8
98.21923	1.3
99.08160	3.2
108.90130	0.9
141.01700	1.1
157.80101	0.9
158.02098	0.9
191.10802	1.4
236.73309	1.0
245.19183	2.9
259.20752	1.5
263.47290	0.9
275.23761	9.1
276.24200	1.1
277.25397	1.1
289.18042	10.1
290.18481	1.2
310.35165	0.9
321.20691	23.5
321.24323	100.0
322.20914	2.7
322.24677	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	321.2431
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
51.74867	0.5
54.34674	0.5
69.03439	1.4
69.63020	1.7
71.06715	0.5
99.08164	1.6
160.97556	0.4
172.51593	0.5
231.82607	0.5
248.94615	0.5
275.23773	9.8
276.24240	0.7
289.17972	0.5
321.24298	100.0
322.20844	0.9
322.24670	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	321.2434
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
56.08881	1.1
59.01382	79.0
67.61900	1.1
71.56608	1.4
73.03973	1.4
78.95912	2.1
115.96964	1.3
119.30396	1.3
125.92931	1.3
155.80437	1.4
192.29985	1.6
200.42725	1.4
284.30048	1.4
313.64023	1.4
321.21103	4.4
321.24344	100.0
322.24692	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	321.2435
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
59.01381	0.7
61.98830	0.5
69.69328	1.2
69.69702	0.7
81.03447	0.7
109.06577	1.5
137.06093	1.2
177.12721	0.4
190.33731	0.4
195.13916	0.4
196.20409	0.3
265.14484	1.2
266.92706	0.7
303.15985	1.9
304.22937	0.4
321.17148	6.6
321.24332	100.0
322.24707	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	321.2432
Annotation	15-OxoEDE
Peak:m/z	Relative Intensity
54.79163	1.3
59.01379	100.0
69.13886	8.2
80.96501	1.5
91.50978	1.2
120.50899	1.0
154.66689	1.3
321.24301	80.4
322.24680	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	321.2435
Annotation	(3R,4R,7R,8R,12R)-ent-3,4:7,8-Diepoxyverticillan-12-ol
Peak:m/z	Relative Intensity
59.01379	100.0
65.11109	1.8
66.07093	2.0
70.35115	4.8
71.11866	1.9
81.50104	1.9
96.93546	2.0
113.00173	2.1
128.20395	1.9
133.75482	1.8
309.22739	2.3
321.20767	5.6
321.24304	57.0
322.24551	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	321.9911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25539	2.1
56.59201	2.5
59.01351	2.6
61.98828	54.0
78.95918	3.6
105.82315	2.5
113.93600	2.2
128.88283	4.6
128.89227	64.6
129.89304	5.5
130.88930	42.0
132.88647	3.4
134.98878	3.0
135.96603	3.2
137.94351	2.1
138.92006	3.1
147.96599	2.7
176.98051	8.6
177.98233	25.0
178.97821	100.0
179.93959	3.3
179.95534	67.1
179.97969	51.4
180.97466	18.7
185.98181	3.0
189.97592	5.4
203.99197	6.9
204.84856	12.5
230.87234	27.0
248.83714	6.6
248.85635	9.0
262.85541	3.1
266.84912	3.8
279.96152	5.4
321.96045	4.4
321.99438	3.1
323.00000	3.8
329.43124	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	322.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.4
70.81525	1.0
71.40164	0.6
72.00909	27.3
78.95891	1.4
90.60073	0.7
91.05538	2.1
101.02396	0.7
103.05518	2.0
114.98930	0.6
122.56504	0.7
141.98222	7.1
147.04523	68.5
148.04880	2.3
156.90247	0.8
164.07159	100.0
165.07480	2.5
174.99277	1.9
187.98744	7.7
189.92490	0.7
229.99835	1.4
245.82527	0.7
261.11456	0.7
261.96097	0.8
262.11954	0.8
322.06082	89.3
323.06351	6.7
323.13376	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0931
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
59.01380	100.0
71.01378	40.9
71.43523	1.8
72.59489	1.6
85.02942	6.7
87.00911	2.1
89.02441	39.9
95.01391	2.9
99.00863	1.9
101.02449	22.4
113.02448	18.4
116.05067	30.0
116.05858	3.3
118.52322	2.1
119.03514	14.5
127.00793	2.2
128.27605	1.9
128.71332	1.7
144.04482	1.7
160.04039	50.5
161.04442	2.6
165.61697	1.8
177.02014	3.0
179.05589	4.4
202.05099	24.1
203.05412	2.2
232.06143	5.0
233.05905	1.6
262.07205	32.9
263.07397	2.2
322.09299	50.9
322.15421	2.4
323.09811	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	322.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70708	6.1
55.02180	6.1
58.38495	6.2
59.01380	100.0
69.41564	18.8
71.01382	57.2
75.55164	6.2
85.87598	7.3
89.02435	32.9
96.63832	6.5
98.21922	9.3
101.02431	27.0
113.02435	16.1
116.05032	17.0
119.03458	12.3
131.58781	8.8
142.35629	5.7
149.02443	6.2
159.10246	13.8
160.04044	39.4
160.10634	8.9
161.04483	9.0
177.01918	25.3
189.71812	6.3
202.05154	10.1
262.07123	30.1
322.09390	45.0
322.15750	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20191	9.6
59.01377	23.1
78.00935	9.4
125.09685	12.5
146.58310	10.2
193.31682	11.2
207.13844	10.7
214.89581	12.7
218.43636	14.2
272.77118	10.2
275.66486	10.7
305.21259	28.9
321.23349	63.6
322.23676	100.0
323.18515	16.9
323.22156	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	322.2025
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
53.60217	0.7
56.38898	0.7
58.02961	1.7
59.01379	1.2
68.57331	0.7
69.51166	3.1
71.05010	1.2
80.02693	0.8
81.03490	1.6
83.05000	0.9
95.05030	2.6
97.06618	0.9
98.21896	1.2
109.06598	1.6
121.06593	1.0
123.08198	1.2
125.09734	1.7
128.10825	6.6
130.08743	100.0
131.09109	2.6
132.63701	0.7
135.08185	1.5
151.07922	0.7
154.37257	0.7
165.12827	1.2
171.10268	1.5
172.09752	0.8
201.11403	1.0
209.11842	1.7
265.14545	0.9
287.16470	1.2
305.17557	4.0
322.16568	1.9
322.20251	34.5
323.18097	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	322.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14235	33.0
59.77719	29.9
62.95787	33.6
69.41931	68.8
69.42307	100.0
98.21883	66.5
115.87623	31.1
286.01367	34.4
329.86575	34.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0595
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98037	12.3
58.99580	4.5
59.01373	11.5
61.98825	3.6
69.18658	8.7
69.19070	5.1
76.85861	2.2
77.03955	5.3
96.00366	2.6
98.03732	2.5
102.98598	22.2
103.05602	3.3
109.06598	7.1
113.00674	100.0
114.04709	2.1
115.05465	3.8
120.99599	2.9
127.07675	3.3
133.01198	3.2
147.02737	8.2
149.04301	87.7
149.05493	4.5
150.04613	5.0
159.04541	2.6
165.03856	2.1
165.09245	5.9
177.09230	4.4
193.03264	45.4
195.10332	7.5
205.33755	2.4
247.13484	2.3
249.14963	9.4
269.10062	2.2
287.16571	8.9
305.17520	8.0
311.51202	2.2
323.18488	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	323.1249
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
59.01379	67.0
69.35785	10.9
70.88114	2.4
71.01376	12.4
81.52681	2.5
89.02454	10.5
101.02438	7.7
117.93833	3.1
121.02982	3.1
160.06415	16.6
161.07213	61.3
162.07648	3.1
163.94315	4.6
175.08769	44.9
189.06700	100.0
190.07080	4.9
203.08238	42.9
280.00705	5.2
281.40826	2.2
301.77310	2.7
323.12500	38.6
335.35175	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.2
58.00582	1.6
59.01377	99.0
59.85394	0.9
60.01704	1.3
70.13308	0.7
70.80300	1.4
71.01379	42.1
72.99300	1.5
73.02928	1.2
77.29350	0.8
77.33447	0.9
78.06282	0.8
78.95911	1.5
81.48269	0.9
83.01379	2.4
85.02955	8.5
87.00883	1.3
89.02444	47.9
95.01388	3.4
96.96037	2.0
101.02435	27.5
113.02451	19.2
114.02815	1.0
119.03500	24.7
120.69866	0.9
131.03438	2.0
143.03535	1.8
149.04552	2.2
161.04582	1.1
179.05612	2.8
240.29948	1.0
280.83591	0.9
323.13455	100.0
324.13760	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50597	0.6
55.01869	0.9
57.57294	0.7
58.00599	1.6
59.01379	100.0
59.40068	0.7
60.01735	0.8
70.72387	1.1
71.01382	46.6
72.99323	2.0
73.02917	1.5
77.27621	0.7
78.91894	1.4
78.95908	20.2
83.01394	3.5
83.72194	0.8
85.02946	9.9
87.00907	1.9
89.02444	50.8
91.57470	0.6
94.92517	1.1
95.01402	4.2
96.96031	3.6
96.96956	10.2
99.00985	0.7
99.08179	0.9
101.02445	29.7
110.89935	1.1
111.00885	6.9
111.02018	2.3
113.02452	16.8
117.06987	0.7
119.03500	24.1
122.94101	0.7
131.03505	2.3
131.04565	0.8
136.51344	0.6
136.98819	1.8
138.98036	0.8
143.03467	3.8
144.67914	0.7
149.04523	1.9
151.00209	1.5
161.04538	1.4
179.05530	3.3
183.07597	0.7
192.95448	2.0
194.99272	1.0
211.00090	1.4
224.96593	0.7
232.94690	2.0
241.01375	0.8
249.93594	0.8
252.09615	1.6
323.03091	6.0
323.13452	93.3
324.10510	1.1
324.14230	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	323.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	92.8
70.39065	1.4
70.66975	2.6
71.01381	40.3
73.02959	1.7
78.61405	1.5
83.01382	2.4
85.02936	8.1
87.00878	2.7
89.02446	52.6
93.69034	1.6
95.01391	5.0
99.00875	3.0
101.02442	30.2
103.01280	1.7
112.98830	1.4
113.02443	17.1
119.03498	21.1
120.41570	1.7
120.99637	6.4
121.02905	1.8
131.03519	1.9
133.02943	2.9
135.04498	3.5
143.03549	2.8
149.04541	3.4
159.03012	1.8
159.63948	1.7
161.02463	3.9
161.04497	3.8
167.08351	1.6
179.03471	3.6
179.05638	4.5
193.04948	1.7
205.03416	2.6
214.53922	1.7
272.27969	1.6
323.13467	100.0
324.13681	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	323.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.01669	0.7
61.74077	0.6
69.29193	3.7
71.01380	17.9
72.99311	1.1
78.95914	2.6
85.02934	3.6
87.00912	1.4
89.02442	22.1
95.01385	0.9
95.17172	0.6
96.96961	1.6
99.04548	0.7
101.02444	11.4
111.02018	0.8
113.02439	6.2
119.03493	9.8
121.02989	0.7
123.04621	0.6
131.03500	0.7
133.02930	0.7
138.46440	0.8
143.00220	1.0
143.03479	1.5
149.04546	0.8
161.02495	1.4
161.04611	1.8
179.03467	0.7
179.05640	2.7
212.89862	0.6
263.11386	1.9
301.25592	0.6
323.02902	1.0
323.13464	36.2
324.13779	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	323.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16041	1.9
55.99105	1.5
59.01382	100.0
61.84032	1.8
61.98838	10.7
64.26895	2.2
66.10152	1.9
67.68227	1.7
69.03448	4.7
69.43984	6.5
71.01386	3.4
88.04060	1.8
97.78326	1.9
101.02422	3.3
101.05444	3.9
101.06084	62.7
102.06418	2.1
113.02451	3.3
121.02942	5.1
185.00887	2.1
201.83415	1.7
263.11252	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.20611	2.7
53.66600	2.7
59.01381	10.2
61.98821	2.5
62.11183	2.5
65.03954	4.9
69.77798	6.5
69.78152	5.3
71.05028	10.8
73.17254	2.3
81.02272	2.5
81.03423	3.5
83.05035	10.1
93.07078	5.6
95.05041	8.8
97.06594	4.7
107.05061	4.9
109.06599	7.7
121.03019	3.0
121.06580	15.6
122.03719	4.9
123.08144	2.9
125.09720	3.7
127.04015	15.9
129.99402	2.8
135.08188	5.8
137.09764	2.8
139.07658	6.4
139.11310	5.8
151.07639	5.8
153.09268	8.4
159.02077	3.0
163.11324	5.1
164.21494	2.6
167.10802	4.7
171.10269	14.2
181.12363	3.6
185.11877	3.3
195.13979	2.6
197.11832	4.0
207.10315	3.8
207.13797	3.1
209.11850	29.2
225.11340	8.8
227.12848	20.0
233.11821	39.0
243.17578	3.4
249.14990	17.2
251.12831	29.8
263.16446	6.5
269.15411	3.1
279.19659	6.6
287.16455	18.2
300.79153	2.9
305.17581	100.0
305.21066	6.0
306.17938	8.6
322.99939	31.1
323.18622	20.3
323.22101	5.2
324.00052	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71334	1.4
57.03432	2.6
59.01362	8.7
60.11165	1.4
69.03459	15.0
71.01386	3.0
71.05018	6.6
71.43970	1.8
73.49429	1.9
81.03474	2.1
82.06401	1.4
95.01429	1.7
95.05035	2.4
97.02953	14.2
97.06570	2.7
99.00923	2.3
108.02197	3.1
110.03759	4.4
123.04538	4.5
123.08143	6.6
123.86166	1.7
125.09724	6.9
133.06616	2.5
135.11818	2.0
136.05327	8.5
137.09709	5.0
142.02742	2.3
149.06075	5.2
151.11307	3.4
153.09221	4.1
153.12836	2.8
161.09685	8.6
171.10294	2.6
179.10777	59.6
180.11047	2.3
180.70360	1.6
197.11829	100.0
198.12213	3.1
205.08746	7.2
223.09752	70.5
224.10109	4.2
241.10809	76.8
242.11232	2.8
260.74945	1.9
273.18732	2.0
291.19705	3.1
305.17712	2.9
305.21225	45.1
306.21484	3.2
323.18616	26.9
323.22217	12.8
324.18964	1.8
324.22495	1.8
334.81897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81635	3.5
57.03442	5.8
59.01377	10.7
71.44503	5.9
85.02171	4.1
93.03441	4.6
94.81513	3.7
107.05018	15.2
109.06607	10.1
111.00864	4.4
121.02974	4.2
121.06609	5.2
121.90712	4.1
123.08121	5.7
125.06112	5.2
125.09756	4.8
133.06586	8.6
135.04623	4.8
135.08170	6.4
139.07693	5.1
139.11345	8.2
151.07661	49.5
153.09218	13.8
171.10262	71.3
171.40381	3.6
172.10670	6.3
189.12943	5.6
197.11848	7.9
201.11397	9.1
207.10327	6.6
209.11824	30.1
215.12794	7.6
225.11372	8.9
237.35805	3.6
243.17566	16.1
261.18533	7.5
261.22324	4.1
279.19507	6.9
287.16614	18.8
305.17587	100.0
305.21237	45.4
306.17896	4.8
306.21454	4.0
313.49237	3.9
323.19083	27.4
323.24213	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1865
Annotation	Hynapene A
Peak:m/z	Relative Intensity
52.14163	3.9
52.80118	3.8
53.15083	5.2
53.92684	4.5
57.64120	4.5
59.01378	24.7
59.84431	3.9
69.03459	5.5
69.28056	15.0
71.01360	4.8
71.05002	6.3
73.33543	4.4
73.78476	4.2
79.05538	9.9
80.02688	4.4
81.03465	4.9
82.96322	4.1
83.05009	6.3
85.02962	5.5
95.42836	4.0
96.96028	5.7
97.46693	4.0
98.03725	12.3
98.21880	8.0
109.06593	83.5
110.52906	4.2
111.04563	6.6
111.65297	3.9
113.00686	8.9
116.78406	4.1
127.07640	41.4
133.10268	7.6
149.04323	8.9
151.11229	6.5
165.09233	34.1
177.09229	26.5
193.08614	5.4
195.08597	7.5
195.10295	100.0
233.11870	5.6
266.09406	5.2
269.15640	5.1
287.16559	32.9
305.17636	74.9
306.17953	11.2
308.06674	4.7
323.09955	5.8
323.18542	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97066	1.8
59.01375	4.2
65.30130	1.5
69.13463	9.1
69.13857	2.3
81.03448	3.4
83.05017	7.1
93.47840	1.7
95.05024	2.6
97.06622	3.2
98.22607	4.2
101.03899	1.8
107.05054	12.1
109.06599	2.4
110.03705	2.8
121.02945	3.1
123.04504	3.0
125.02388	2.9
125.06109	4.1
125.09720	8.2
135.08174	4.7
151.07669	2.7
153.09216	15.1
163.11273	6.2
165.12874	3.5
176.08328	2.9
178.10016	3.7
185.11777	3.5
191.10757	2.6
193.12418	2.3
197.11826	12.6
206.26411	1.8
207.10245	6.6
209.11823	100.0
210.12193	4.9
225.11310	5.6
236.10533	4.1
245.15695	1.9
254.11624	2.6
261.18643	7.1
263.16595	2.2
269.65887	1.8
277.18066	2.2
279.19705	4.3
287.16501	9.9
305.17551	91.3
305.21213	75.3
306.17880	8.4
306.21426	7.7
323.18600	16.2
323.22260	32.8
324.19070	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41070	2.5
57.03438	9.1
59.01375	7.9
69.03463	4.7
69.78355	5.6
69.78741	5.3
71.05022	100.0
73.02940	3.6
81.03449	11.6
83.05013	8.9
92.59345	2.6
93.03433	6.1
95.05028	28.2
96.59789	3.0
97.06573	4.5
97.90114	3.2
102.64240	3.0
105.09605	2.6
106.04234	2.8
107.05040	4.3
109.02968	8.5
109.06598	21.7
110.03747	15.2
111.04513	11.0
115.17086	2.7
121.06604	10.2
122.03774	3.2
123.04551	6.0
123.08182	6.5
125.09713	10.3
133.06601	12.0
135.08131	9.5
136.05301	4.3
137.06079	3.6
139.07541	3.2
151.07635	29.9
151.11331	4.0
153.09190	4.4
154.52129	3.0
161.06000	3.2
165.09177	5.6
165.12819	6.8
166.61772	2.5
171.10287	42.7
185.11790	7.3
189.12868	15.2
193.12395	3.1
199.13370	3.9
201.11388	3.8
203.14346	2.9
211.13496	6.5
233.11879	7.8
243.17555	18.4
247.13434	5.5
249.14958	8.1
251.12865	3.3
261.18280	3.7
263.16501	2.7
265.14398	6.1
277.18051	5.1
279.19730	2.9
287.16528	68.3
288.16910	5.2
293.82837	3.2
305.17587	48.9
306.18018	4.7
315.49994	2.8
323.18539	18.1
323.22083	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	7.9
57.03441	13.3
59.01384	18.5
61.98804	5.9
69.52675	16.2
71.05019	27.7
73.02927	5.6
73.24850	4.0
74.05695	4.3
80.02666	4.7
81.03444	20.3
83.01390	11.1
83.05043	21.3
84.02177	14.2
85.06599	5.7
95.05032	88.7
97.02942	6.0
97.06581	16.3
98.22574	10.0
99.04510	7.7
105.07047	5.6
106.04219	6.1
107.05025	6.6
109.06586	14.4
111.04491	7.0
113.06091	42.0
119.74140	4.2
121.06602	9.8
123.04524	11.8
123.08151	20.1
125.06113	8.0
125.09721	31.0
126.13181	4.1
130.08760	47.6
131.09081	23.9
133.06590	10.7
135.08148	23.6
139.11324	6.7
149.09709	4.9
151.07646	20.8
153.09232	6.9
163.11305	12.6
171.10275	64.1
176.08549	5.9
183.10339	5.0
183.32948	4.3
185.11826	22.2
189.12820	7.4
197.11945	4.7
199.09685	4.3
199.13379	7.5
201.11357	17.6
202.89648	4.0
203.14380	12.8
209.11855	90.6
211.13449	5.6
213.11337	7.3
219.10420	6.3
221.11865	4.9
223.13379	12.7
231.13934	7.8
237.14970	5.5
243.17526	8.0
247.13596	7.2
249.15079	9.7
265.14410	31.7
287.16568	21.2
305.17560	75.7
306.17941	6.5
323.18488	100.0
323.21704	6.9
324.18887	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30112	1.2
57.03455	2.0
59.01358	2.2
65.03967	1.1
67.39540	1.1
69.03451	1.6
69.20108	1.2
71.05025	13.6
81.03459	5.1
83.05016	4.7
95.04993	6.0
97.06609	1.3
106.04259	1.6
107.05051	1.4
108.02184	26.2
109.02950	2.0
109.06570	2.8
110.03735	2.9
111.04536	5.8
121.02986	2.4
121.06602	12.2
122.03754	2.9
123.04533	8.4
125.09730	3.0
135.08130	1.5
136.05290	1.7
137.06007	1.3
139.07632	2.4
139.11275	4.4
144.27425	1.1
161.06046	1.8
165.12859	5.0
183.10291	1.6
185.11833	2.2
189.12817	3.3
197.11832	3.6
199.13399	100.0
200.13701	6.2
207.13892	3.2
209.11794	10.1
221.11772	4.2
233.11810	30.4
234.12135	2.6
243.17503	3.3
249.14926	4.1
251.12889	62.8
252.13115	4.7
261.18582	2.4
263.16504	1.3
265.14230	1.7
269.15414	2.4
277.18234	2.2
287.16531	14.5
305.17572	55.4
306.17874	5.4
323.18655	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32162	9.4
50.67951	9.3
59.01379	21.9
59.28025	9.2
60.71775	9.2
61.98820	17.4
64.71281	9.0
69.09576	10.4
69.74256	9.5
70.58520	12.7
70.58829	12.7
83.39534	9.6
96.95983	14.4
97.06574	9.8
98.17054	10.2
101.59007	9.8
108.98338	10.8
109.06628	22.5
115.96857	10.7
123.92570	9.4
125.09743	49.5
135.08163	25.4
139.07661	12.2
201.11320	50.2
213.11334	25.8
215.12822	23.1
277.23465	9.8
279.19696	14.4
287.16611	21.1
305.17578	44.9
305.21234	100.0
323.18454	43.3
323.22211	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71334	1.4
57.03432	2.6
59.01362	8.7
60.11165	1.4
69.03459	15.0
71.01386	3.0
71.05018	6.6
71.43970	1.8
73.49429	1.9
81.03474	2.1
82.06401	1.4
95.01429	1.7
95.05035	2.4
97.02953	14.2
97.06570	2.7
99.00923	2.3
108.02197	3.1
110.03759	4.4
123.04538	4.5
123.08143	6.6
123.86166	1.7
125.09724	6.9
133.06616	2.5
135.11818	2.0
136.05327	8.5
137.09709	5.0
142.02742	2.3
149.06075	5.2
151.11307	3.4
153.09221	4.1
153.12836	2.8
161.09685	8.6
171.10294	2.6
179.10777	59.6
180.11047	2.3
180.70360	1.6
197.11829	100.0
198.12213	3.1
205.08746	7.2
223.09752	70.5
224.10109	4.2
241.10809	76.8
242.11232	2.8
260.74945	1.9
273.18732	2.0
291.19705	3.1
305.17712	2.9
305.21225	45.1
306.21484	3.2
323.18616	26.9
323.22217	12.8
324.18964	1.8
324.22495	1.8
334.81897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81842	3.1
53.01291	3.1
54.70484	3.4
57.03448	7.0
59.01384	9.9
69.03445	4.4
69.65561	5.3
69.65916	11.3
71.05040	16.4
81.03471	4.3
83.01385	15.0
83.05025	10.4
93.03459	4.3
95.05016	21.4
97.06599	14.6
98.21912	4.2
109.06567	6.9
113.06113	9.9
122.87955	3.8
123.04514	7.0
123.08176	4.4
125.06116	4.0
125.09750	19.9
133.87811	3.2
135.08159	14.1
147.08188	3.5
149.09723	4.0
155.17395	3.4
163.11304	7.9
165.12874	5.7
181.12411	5.4
185.11880	23.2
191.10785	4.5
199.09758	5.3
199.13391	5.5
203.14381	7.0
209.11827	100.0
237.14919	32.8
243.17442	9.5
247.13445	6.0
251.12918	3.7
261.18411	8.3
265.14508	17.8
269.15475	3.6
287.16470	18.8
305.17572	35.1
306.17938	5.8
323.18619	41.7
323.22125	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	323.1864
Annotation	Dinor-PGD2
Peak:m/z	Relative Intensity
57.03451	1.0
59.01366	6.3
61.57042	0.9
69.03432	1.8
70.97591	1.2
71.05025	19.9
80.02673	1.0
81.03443	1.6
83.05016	3.8
95.05034	2.1
96.75642	0.9
97.06585	2.6
99.07259	0.9
106.04208	1.1
108.02173	3.8
109.06590	3.3
111.08161	1.6
121.06579	4.1
121.44546	0.9
135.08183	2.2
137.09703	1.3
161.09697	1.3
162.06888	9.3
164.08362	2.7
171.10199	1.3
177.12825	3.2
189.12866	7.7
197.11888	1.2
199.13387	2.0
204.11102	1.0
205.15964	2.1
207.13918	1.7
209.11740	1.5
221.11833	22.2
221.15294	1.5
222.12166	1.7
222.57895	0.9
223.13380	29.1
224.13718	1.6
231.13858	2.8
233.11818	8.9
236.84984	1.1
239.12895	8.7
243.17519	1.6
249.14941	19.3
251.12886	32.5
252.13242	2.0
263.16605	1.9
269.15369	3.1
279.15689	1.0
287.13602	1.5
287.16537	18.9
288.16782	1.8
305.17578	100.0
306.17886	8.2
323.18610	46.7
324.18793	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	323.1864
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.76690	2.9
51.32871	3.2
57.03436	8.8
57.86818	2.8
59.01372	7.1
70.73658	4.8
71.05016	28.3
81.03442	4.9
83.05028	5.2
85.75896	3.4
95.05026	58.4
97.06588	11.0
102.94747	3.1
107.05047	7.0
109.06587	26.6
116.52454	3.4
119.04980	3.9
121.06586	6.6
122.03728	5.9
123.08168	6.2
125.09726	8.9
133.06599	30.3
135.08151	23.0
151.07669	17.0
151.11256	6.4
171.10262	100.0
185.11768	3.7
189.12842	13.5
193.12286	3.9
203.74277	3.2
209.11887	8.0
217.25885	3.4
223.13345	23.6
233.11874	13.4
243.17563	15.7
249.14999	19.5
265.14429	11.9
277.18066	4.9
287.16507	54.5
305.17560	54.6
323.18582	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	323.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02528	7.9
57.03439	11.9
59.01365	20.7
69.82050	17.1
71.05025	41.8
83.05028	11.3
84.15837	7.1
90.72373	7.0
95.05024	63.9
97.06583	13.2
109.06613	48.3
112.11178	6.8
125.09749	14.2
129.09048	8.2
130.76881	6.9
135.08151	17.6
142.50079	7.8
143.07085	10.0
158.12466	11.1
171.10252	100.0
189.12857	12.4
191.14497	8.4
209.11821	23.9
219.36037	7.6
222.45236	7.8
223.13348	24.0
233.11780	12.8
249.14958	33.0
261.18695	33.5
263.16437	15.3
265.14264	8.2
279.19626	22.1
287.16702	20.3
305.17566	60.5
323.18582	79.2
323.21930	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	323.1863
Annotation	Albocycline M-7
Peak:m/z	Relative Intensity
55.54514	1.6
56.48984	1.5
57.03439	3.6
59.01377	5.9
69.24413	10.4
80.65369	1.7
83.05045	3.4
89.24267	1.7
92.36914	2.0
93.07098	1.7
95.05014	2.7
96.02187	4.1
97.06591	4.1
106.04237	13.7
107.05016	13.3
108.02169	4.9
109.06604	5.6
110.03715	2.0
115.32494	2.0
123.08173	3.9
125.06095	10.6
125.09742	11.4
125.76462	2.0
131.09564	2.1
135.08159	50.1
137.06082	26.4
151.07635	3.2
161.06030	5.3
171.10266	3.7
183.10133	3.2
185.11823	50.0
186.12189	2.1
197.11876	11.2
201.11261	3.5
209.11758	2.0
213.11313	4.2
215.12878	10.9
239.13066	2.8
243.17577	2.9
247.13538	2.1
263.16324	4.1
265.14468	5.2
269.15649	2.8
287.16479	15.9
305.17566	100.0
306.17813	9.2
315.21951	1.8
323.18652	53.7
324.18912	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57669	1.3
59.01365	2.5
69.65411	4.5
69.65787	2.6
83.33787	1.4
85.06602	1.6
96.96014	6.0
98.21917	2.7
103.01506	1.5
127.15335	1.3
137.27237	2.0
143.91461	1.6
148.68639	1.5
171.10335	3.1
220.14725	4.3
232.35205	1.6
237.14944	19.6
238.15277	2.4
256.46222	1.5
265.14819	5.0
276.89725	1.6
281.65970	1.5
291.19766	4.4
305.21237	6.5
323.22266	100.0
324.22791	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	323.2226
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.34906	5.2
59.01357	13.8
59.24981	5.9
65.17427	5.7
67.29537	4.9
96.17179	6.1
99.45621	6.0
119.08657	32.1
137.09750	9.8
151.11255	7.7
171.10287	60.6
178.77272	5.4
185.11752	6.6
195.13841	7.2
195.76924	6.1
197.11864	17.6
201.47061	5.6
204.37964	5.9
229.19595	13.4
273.18701	36.0
277.21771	10.8
291.19684	69.9
295.22702	36.0
305.21133	32.8
323.22256	100.0
324.22571	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	323.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34061	0.4
57.03464	0.5
58.06556	0.5
59.01398	0.7
59.73550	0.4
59.98671	0.4
60.82462	0.4
61.13957	0.5
65.01156	0.4
70.51510	1.0
98.81656	0.5
110.03753	0.7
113.13801	0.4
113.45657	0.4
117.77050	0.4
119.35328	0.4
123.04536	0.9
123.08192	1.0
124.05371	0.5
125.09721	1.7
125.93053	0.4
137.06120	0.6
137.09705	1.1
139.11362	0.5
153.09212	7.2
162.10513	0.7
165.09259	1.3
165.12843	1.3
167.14511	0.5
189.12834	1.1
190.00125	0.4
193.12358	0.6
207.13927	0.5
217.16002	0.5
225.15018	0.5
226.11971	0.6
235.13504	0.7
261.22211	4.1
279.23071	0.6
287.20209	1.4
291.19855	0.5
305.21216	100.0
306.21555	8.8
323.18771	1.4
323.22244	23.1
323.26123	1.2
324.22620	1.7
341.98260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2226
Annotation	Dihydromonacolin L acid
Peak:m/z	Relative Intensity
51.30592	0.4
58.78747	0.5
59.01444	0.5
71.05102	0.6
80.02797	0.5
83.05126	0.7
109.06654	0.6
122.06190	0.5
123.04617	0.8
125.09766	0.7
137.06154	0.9
137.09804	0.5
163.11610	0.6
165.09326	1.6
165.12971	1.6
167.14513	0.5
188.28435	0.4
189.12958	0.9
193.12346	0.5
201.11383	0.6
217.15909	0.8
225.14977	0.8
251.16525	1.0
261.22278	4.4
279.23328	0.9
287.16354	0.6
305.21213	100.0
306.21527	8.3
310.60596	0.5
323.22235	20.6
324.22446	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.9
70.98772	1.5
74.86588	1.0
81.03457	0.9
89.62797	1.1
96.96021	2.1
123.04519	1.6
124.05293	1.1
125.09744	2.0
137.06100	1.5
137.09697	1.4
160.17979	1.0
163.11209	1.3
165.09256	2.2
165.12834	2.3
181.12425	1.4
193.12447	0.9
193.16072	0.9
197.11826	1.8
206.20621	0.9
221.11775	2.5
239.12807	1.2
253.14378	1.6
261.22223	5.2
280.30243	0.9
291.19614	6.6
295.19482	1.1
305.21237	100.0
306.21591	8.5
308.20001	2.5
323.22266	55.8
324.22610	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	323.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27049	0.9
57.03458	1.7
58.30136	0.8
58.41471	0.9
59.01366	1.2
61.37052	0.9
61.78135	0.9
70.67082	2.1
80.88898	0.9
81.90074	0.9
96.96015	1.6
100.97243	0.9
107.08660	7.6
111.08124	0.9
123.08065	1.2
137.09715	1.5
139.11279	6.5
167.10788	3.4
177.12955	1.2
183.10240	1.8
191.40410	0.9
193.12294	1.6
195.13919	1.1
198.21042	1.0
199.13385	3.8
213.11392	1.4
223.13197	1.1
239.12822	1.6
247.20541	4.6
254.15338	1.4
263.20087	2.3
265.14728	2.3
271.74988	1.1
273.18585	2.5
274.79535	0.9
291.19644	71.3
292.19986	6.3
305.21240	1.9
308.19992	7.0
310.03595	0.9
323.22253	100.0
324.22629	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	323.2228
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
57.03430	3.3
59.01366	6.5
61.98820	2.0
71.05027	10.8
71.06561	1.8
87.32732	1.4
93.07099	2.3
95.05048	2.0
97.06580	6.1
107.04955	2.0
111.04510	3.0
119.08649	5.9
121.10237	21.7
123.08184	4.5
125.09711	15.7
128.51707	1.9
137.09720	15.7
149.09715	7.7
151.11241	2.7
153.09186	4.4
153.12898	2.1
163.11270	3.0
165.12912	2.3
171.10278	28.6
177.12822	4.7
185.11848	26.4
197.11800	5.2
207.10309	2.5
209.11845	6.5
211.13321	2.4
217.16025	3.3
273.18649	8.5
279.19635	2.1
291.19666	100.0
292.19974	9.0
305.17557	7.5
305.21213	37.3
306.21454	2.0
323.18912	4.5
323.22256	82.9
324.22638	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	324.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81227	9.1
60.43644	9.4
69.78767	33.7
119.36529	10.2
183.01221	67.9
222.78944	10.1
325.18335	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	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45584	0.8
56.99677	0.8
59.01379	20.2
62.99716	0.8
71.01395	4.5
71.45256	1.1
71.45648	1.2
78.15318	1.0
78.95914	1.9
83.01357	1.0
84.99294	1.0
85.02956	2.2
87.00870	11.3
89.02444	5.3
89.03928	1.6
90.80802	1.0
93.03435	1.1
99.00866	1.9
101.02418	1.1
103.00368	4.7
108.96053	0.9
111.00879	1.1
112.98820	12.5
113.02416	2.3
117.00433	1.4
117.03464	8.1
119.05026	15.2
131.02007	1.7
133.05087	6.2
134.03749	80.6
134.04706	6.5
135.04077	3.0
137.11603	1.0
144.99178	1.1
145.01483	1.9
145.05113	2.0
145.06172	11.4
145.09819	5.0
146.08244	10.9
149.00909	1.4
149.06102	6.9
153.64240	1.0
161.02454	1.1
161.04553	1.1
163.04005	9.8
178.02710	3.9
179.03416	1.2
193.05055	100.0
194.05383	5.8
206.61641	0.9
216.99020	2.0
225.28912	1.0
227.00562	1.2
243.35858	1.1
259.68985	1.0
325.14136	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44184	1.4
58.77975	1.4
59.01378	43.9
61.98819	1.4
69.40675	7.1
72.99304	10.5
80.96519	3.7
85.02896	2.1
87.00872	5.6
88.85430	1.5
96.96005	1.7
98.21912	2.1
101.02447	8.0
103.00372	38.5
112.98808	4.8
121.57124	1.6
130.99854	5.8
133.02948	6.8
134.03683	2.8
135.04520	5.8
145.01428	18.3
145.02551	2.0
145.02994	2.0
161.02432	36.4
162.02776	1.9
163.02489	100.0
163.03928	3.4
164.02800	1.9
179.03537	3.2
193.05040	3.4
206.99937	1.6
325.09091	1.9
325.13574	2.2
326.06461	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51813	0.5
52.69796	0.5
59.01376	9.9
61.98838	0.5
62.86978	0.4
69.35027	1.8
72.99310	0.5
78.95905	1.2
84.99344	0.9
87.00879	10.6
89.03964	2.0
98.91376	0.5
102.05556	0.5
102.41176	0.5
103.00372	5.3
112.98811	13.7
117.03468	8.9
119.05049	0.6
119.98278	0.5
125.99574	0.6
128.03551	1.5
130.99820	1.1
133.02975	1.0
134.03741	82.3
135.03149	0.5
135.04152	2.6
149.00890	1.3
149.06090	8.4
152.99567	2.7
153.09161	0.8
161.02425	1.2
162.48640	0.5
178.02722	4.7
179.03482	3.4
192.84612	0.5
193.05055	100.0
194.05365	4.8
231.48175	0.5
289.07227	0.5
297.03790	0.8
309.80905	0.5
326.12323	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97117	0.7
57.68499	0.6
59.01377	48.8
63.25120	0.6
67.82397	0.7
68.99796	0.8
71.42387	0.8
72.98898	1.0
72.99308	17.7
76.50012	0.7
80.30757	0.7
80.96535	0.7
84.99303	1.6
87.00880	7.5
101.02444	10.3
103.00375	37.0
106.57575	0.8
112.98809	5.1
130.08739	0.9
130.99866	6.8
133.02946	9.6
135.04539	5.0
145.01424	20.0
161.02448	36.9
162.02791	1.3
163.02487	100.0
164.02826	2.0
179.03473	2.9
193.05087	2.0
198.15504	0.7
217.79062	0.9
249.33054	0.7
325.13260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
70.30616	2.3
71.01367	1.8
72.99306	1.7
74.68342	1.0
78.95905	1.1
84.41369	0.8
84.99284	1.0
85.02953	5.3
87.00877	10.1
89.02444	1.2
89.03975	1.0
92.92812	1.7
101.02432	1.3
103.00372	5.7
111.00879	1.6
112.98808	10.4
115.00383	1.3
117.03464	7.0
119.03515	1.1
122.89598	0.8
129.01936	2.9
131.04669	1.4
132.03029	1.1
133.01422	0.9
134.03754	83.2
134.04691	4.0
135.04060	2.8
136.42538	0.9
137.02435	1.0
137.66455	0.9
145.06195	1.3
149.00938	4.3
149.06091	8.2
178.02686	4.5
193.05058	100.0
194.05341	4.7
295.44174	0.9
325.14319	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0564
Annotation	cis-fertaric acid
Peak:m/z	Relative Intensity
53.67982	0.7
59.01377	19.3
61.98816	0.9
70.75983	1.0
72.99319	0.8
87.00873	9.9
89.02425	1.0
89.03976	1.3
101.02404	0.9
101.65137	0.7
103.00375	4.2
112.98812	12.6
113.02422	1.0
117.03461	7.0
119.05034	3.3
130.99855	1.3
134.03743	70.6
135.04074	2.2
143.44612	0.7
149.00928	1.9
149.06058	8.2
163.04025	4.3
178.02711	2.7
193.05055	100.0
194.05377	4.5
214.53421	0.7
265.12933	2.1
324.13373	1.0
325.13925	1.5
326.06631	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	325.0928
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
50.31434	0.4
53.01118	0.4
55.67353	0.4
59.01374	3.2
61.46104	0.4
78.15179	0.4
87.00895	0.5
90.67538	0.3
93.03457	0.4
103.00357	2.2
109.02917	0.5
112.98808	0.5
114.05598	0.5
117.03442	0.8
119.05026	100.0
120.05352	3.7
123.04514	0.5
126.95087	0.4
133.02902	0.6
134.03745	3.3
135.04515	1.3
145.01498	0.4
145.02939	2.7
149.06093	0.6
161.02484	2.4
163.04001	86.4
164.04366	3.2
179.03445	1.1
193.05042	3.9
205.05196	0.7
220.31641	0.4
289.07071	1.5
325.02322	0.4
325.09204	0.7
347.34760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0929
Annotation	4'-O-beta-D-Glucosyl-cis-p-coumarate
Peak:m/z	Relative Intensity
59.01379	2.4
69.24809	0.2
70.48933	0.6
78.88950	0.2
85.99546	0.2
87.00871	1.9
89.03976	0.2
90.62959	0.2
93.01877	0.2
93.03455	0.7
103.00373	1.1
112.98802	2.8
117.03468	2.1
119.05025	100.0
120.05354	3.8
121.02946	0.3
130.99864	0.3
134.03738	17.4
135.04082	0.8
149.00890	0.3
149.06073	1.8
163.04004	63.0
164.04333	3.1
178.02713	0.9
193.05055	19.7
194.05400	0.8
198.81522	0.2
205.05042	0.5
325.05692	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.7
59.01376	5.3
69.38161	3.4
72.99294	1.7
81.03455	1.3
83.01389	2.0
87.00880	1.6
93.03410	0.9
95.05002	1.1
97.02956	2.3
99.41856	0.7
103.00365	2.3
104.03537	0.8
109.02950	13.4
112.98811	1.2
114.05633	0.7
117.03452	2.6
119.05026	100.0
120.05370	3.1
121.02979	1.6
123.04534	8.3
125.02445	9.5
131.29248	0.7
133.02950	1.4
134.03766	7.9
134.04712	1.1
135.04544	4.2
136.04735	0.7
137.02414	5.8
138.03195	0.9
139.03976	2.2
145.01424	1.1
145.02959	4.4
149.02426	2.4
151.03992	5.7
159.04579	1.3
160.05247	0.9
161.02446	5.4
161.06119	2.4
162.03171	1.0
163.02528	8.6
163.03992	89.4
164.01228	1.8
164.04347	4.1
165.01965	2.7
173.06062	0.9
175.03963	1.4
175.07761	0.7
179.03525	4.7
187.04033	3.6
188.04791	2.1
193.05080	7.5
201.05653	0.8
202.06293	0.8
203.07140	6.1
204.07613	0.8
205.05078	4.5
219.02992	0.9
221.08138	1.5
245.08142	8.5
246.08665	0.8
268.94241	0.7
271.06232	0.7
289.07172	49.1
290.07458	4.3
291.28705	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60054	0.3
55.47417	0.3
56.40429	0.3
59.01363	0.5
60.46049	0.3
61.64470	0.3
61.98845	0.3
69.89419	0.6
69.89751	0.3
70.12965	0.3
78.95904	51.4
95.55211	0.3
96.96961	6.6
101.50825	0.3
104.83070	0.3
131.85420	0.3
134.03812	0.6
150.98042	1.4
152.99596	100.0
153.99969	1.4
160.84285	0.4
162.83885	0.3
171.00667	3.7
171.10252	4.0
193.05051	0.5
243.29353	0.3
270.60413	0.4
325.10562	8.2
326.11035	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.7
66.68697	3.4
71.44854	3.7
78.95441	3.6
78.95905	71.3
79.34075	3.4
82.33620	3.0
93.38780	2.7
96.96967	7.5
102.05602	17.0
120.96027	3.5
128.03540	13.0
133.52760	3.1
146.04568	16.2
152.99582	100.0
153.09262	5.9
171.10287	7.2
233.06911	3.3
259.05151	3.5
262.48557	3.1
282.13370	5.5
285.45837	3.0
325.10559	14.4
326.12305	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	8.7
71.01377	3.2
71.44681	1.4
72.00929	1.4
72.99294	0.9
74.02465	1.8
78.95899	2.8
80.15184	1.0
84.04551	3.6
85.02940	2.7
86.21445	1.0
89.02463	5.4
109.04070	6.2
111.00915	1.2
113.02444	1.7
121.89461	0.9
125.03575	2.7
127.05133	18.4
128.03543	9.4
140.41582	1.1
145.06194	100.0
146.04550	2.8
146.06534	2.0
146.08247	2.8
163.65587	0.9
179.05707	1.2
243.12729	0.9
248.92047	1.3
325.03574	1.1
325.11108	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17205	0.6
59.01378	100.0
60.01716	1.3
61.98825	4.4
62.17548	0.6
70.26215	1.0
70.26545	0.8
71.01386	2.4
72.00889	0.8
72.30992	0.6
73.02953	1.1
82.95420	6.9
83.01405	0.8
85.02955	1.4
89.02470	1.4
101.02453	3.8
112.98846	1.1
113.02447	1.2
117.03474	0.8
125.87361	4.7
134.03731	9.6
147.04581	1.0
149.06056	0.9
158.85448	0.6
160.84204	1.3
161.04547	3.1
164.07176	2.4
177.08487	0.6
178.02852	0.6
193.05055	11.8
193.06712	0.9
203.88420	0.7
265.12897	10.2
266.13251	0.7
275.90054	0.6
326.05786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98830	2.7
71.01381	4.0
82.95404	2.1
85.02963	2.0
89.16267	1.7
101.02432	4.9
113.02501	2.0
119.05013	6.4
126.90500	2.7
126.96745	1.8
134.03748	4.2
134.04709	20.4
144.59569	1.8
147.04466	2.1
160.84163	2.4
161.04576	3.9
163.03990	4.0
164.07191	9.3
193.05051	4.8
265.12915	10.4
298.78317	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	325.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89858	0.3
55.66985	0.3
70.53753	0.7
79.95751	1.1
81.21138	0.3
98.22552	0.5
111.83002	0.3
119.05023	1.0
132.70728	0.4
157.85742	0.3
170.00432	1.1
183.01195	57.5
184.01747	3.4
192.23143	0.4
197.02792	1.4
198.03531	0.9
199.55103	0.3
211.88043	0.4
212.05078	0.6
225.05817	0.7
239.07507	0.7
262.73630	0.4
325.18405	100.0
326.18747	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	5.6
58.00584	6.0
59.01369	4.4
61.13027	2.3
66.02933	2.1
69.77052	4.6
69.77412	5.4
71.01364	3.1
73.02942	6.6
83.05008	3.6
84.02166	6.2
87.82098	2.8
95.05052	3.2
97.06586	9.8
98.21954	2.8
106.83705	2.5
112.87223	2.4
113.06052	3.3
115.07661	4.5
123.08185	12.9
125.09734	84.5
126.10020	5.0
126.66154	2.4
127.07666	5.5
127.11285	5.3
135.08159	4.4
141.09227	48.3
151.11250	10.3
153.09212	39.0
153.12848	8.8
155.10811	3.7
171.10284	100.0
172.10533	3.6
183.13823	3.7
187.09787	12.2
197.11821	18.0
199.13361	15.3
201.11319	50.4
209.11844	4.9
215.12852	13.5
227.12912	50.2
228.13144	2.6
229.14478	34.5
245.19037	3.5
263.20126	23.5
281.21185	9.4
289.18002	5.9
297.20615	10.0
307.19116	30.8
325.20221	43.6
329.42880	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	325.202
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03432	5.8
59.01373	6.9
61.98831	4.8
66.25978	3.0
69.67370	3.9
69.67728	9.3
71.01367	3.8
74.71674	2.7
80.02682	5.1
84.02171	7.8
87.26228	2.6
95.05029	3.0
97.06575	7.4
101.02463	8.4
109.06616	2.9
115.07686	3.3
120.71998	3.2
123.08152	12.1
125.09727	57.4
126.09936	2.9
133.82124	3.0
135.08173	4.8
137.09726	29.2
141.09229	6.2
153.09236	19.8
155.10791	11.5
164.07146	4.7
171.10258	22.5
185.11790	4.6
187.09761	4.3
201.11317	7.2
209.11835	21.3
213.11339	4.2
215.12895	5.7
227.12839	5.2
279.19629	4.9
281.21106	4.0
289.17984	10.5
293.20435	3.3
307.19147	100.0
308.19470	8.0
325.11816	3.6
325.20349	36.5
325.23782	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	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00602	6.6
59.01370	2.7
62.73867	2.2
70.76840	4.6
71.05013	4.3
71.46331	2.6
84.02216	2.5
84.50185	2.5
95.05035	4.7
97.06597	5.7
99.08176	4.3
113.06081	8.8
115.07651	9.5
123.08128	3.0
125.09756	8.2
126.48711	2.2
127.07688	15.0
141.09274	3.4
151.11276	19.6
153.09172	2.6
153.12827	16.7
155.14433	3.3
171.10265	13.0
181.12373	3.7
183.13918	3.8
191.10638	2.4
197.11833	35.6
199.13399	33.5
201.11362	9.6
209.11870	7.3
211.13429	4.7
215.12881	22.7
227.12888	100.0
228.13185	5.7
229.14436	79.5
230.14780	3.8
245.19102	3.4
263.20154	3.3
269.21140	4.2
279.19632	2.7
281.21158	4.5
289.18069	7.1
297.20694	4.7
307.19101	28.5
325.20209	24.8
326.20303	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	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03435	15.0
59.01360	3.5
65.03961	5.1
69.03456	10.1
69.31281	11.9
71.05022	43.7
73.02924	2.7
81.03483	2.8
83.05031	26.2
93.07083	2.4
95.05024	8.4
95.92485	2.6
96.88758	2.2
96.90023	2.5
97.06589	17.6
98.22660	3.4
98.73753	2.0
102.04213	2.1
105.07156	2.7
106.04258	5.8
109.06595	10.6
111.04512	12.4
111.08150	2.4
120.05785	2.8
121.06631	8.3
123.08179	28.9
124.05311	4.8
125.09709	11.8
135.08154	14.0
137.09743	3.5
141.09201	7.9
153.09187	14.9
155.10789	3.2
171.10275	100.0
172.10587	3.4
183.10223	3.9
185.11838	40.6
186.12215	3.0
197.11842	5.5
201.11299	14.2
209.11832	21.7
210.12375	2.6
211.13393	12.4
219.13824	5.2
233.15367	3.4
235.13390	48.5
237.15013	9.1
243.16054	2.3
245.19119	2.7
249.14998	5.8
262.78448	2.5
263.16510	2.6
267.15979	3.7
289.18103	28.9
307.19171	7.2
325.16397	4.5
325.20212	82.7
326.20517	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	16.6
59.01370	6.6
66.49268	2.4
69.03465	2.9
70.97511	2.9
71.01399	2.6
71.05019	7.5
73.60579	2.7
80.02679	4.0
81.03479	3.8
83.05026	9.8
84.02180	3.6
95.05032	8.9
97.06586	26.0
106.04238	2.7
109.06599	8.0
111.04533	8.3
115.07621	4.0
116.83450	2.9
117.58354	2.5
123.08163	9.4
125.09689	8.0
127.07665	5.6
127.11292	2.9
135.08157	7.2
137.09789	2.6
153.09184	11.9
163.11281	3.3
167.10686	3.4
171.10292	26.5
175.07964	2.5
185.11856	12.4
191.14449	4.1
193.12410	2.7
195.13881	5.1
197.11830	8.4
201.11362	25.8
209.11858	28.6
211.13394	8.8
214.63255	2.9
235.13283	3.9
237.14952	84.1
238.15349	9.0
245.19052	5.6
249.14923	7.6
289.18082	63.5
290.18597	2.8
307.19083	42.4
308.19717	2.8
325.20193	100.0
326.20554	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.4
58.34277	1.0
59.01368	2.5
65.25735	1.3
71.46093	1.4
72.29363	1.3
89.49071	1.2
97.06587	1.2
117.14059	1.3
121.02981	4.7
122.03737	3.9
136.05333	3.4
167.14453	5.1
193.15947	2.9
207.17592	2.9
219.17561	1.2
228.53621	1.3
231.17607	2.2
233.15422	1.9
249.18594	36.0
250.18941	3.4
259.98694	1.7
275.16534	26.2
276.16898	2.1
281.21201	6.0
293.17596	100.0
294.17993	6.9
307.19199	7.5
325.20227	86.8
326.20599	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.3
59.01366	1.6
65.09603	1.1
65.64612	1.4
65.84048	1.0
69.03432	1.6
70.74344	2.1
71.01396	1.3
71.04992	2.7
80.02676	7.9
83.05029	2.0
84.02170	7.6
87.79414	1.2
95.05014	1.4
97.06583	9.7
99.08141	2.0
107.09325	1.4
111.08195	1.6
113.09720	4.0
115.07648	3.1
123.08190	7.5
125.09724	70.0
126.10046	3.4
127.11304	2.4
135.08156	1.9
137.09717	48.7
138.10075	2.7
139.11259	4.7
141.09222	4.2
149.09737	1.7
151.11298	3.7
153.09184	7.6
155.10803	18.3
163.11247	2.0
164.08354	2.0
169.08728	2.0
169.12334	2.5
171.10298	8.9
181.12332	2.1
187.09737	8.5
209.11848	6.5
227.12891	5.1
250.11955	1.4
263.20093	2.8
279.19641	6.5
281.21133	2.7
289.18045	8.6
307.19144	100.0
308.19449	8.7
325.20206	57.2
326.20584	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96596	0.7
58.00603	0.8
58.07193	0.7
59.01357	1.1
71.01376	1.4
72.44250	0.8
72.99303	1.2
73.02942	2.8
83.05036	1.2
92.92737	0.8
96.87491	0.7
97.06574	1.1
111.08182	3.7
113.09734	1.3
121.02924	0.9
123.08184	2.0
125.09748	2.1
137.09735	2.5
139.07681	1.0
139.11348	3.9
141.09229	1.8
150.76569	0.7
151.11354	0.9
153.09218	3.1
155.10802	1.7
156.51154	0.9
157.08669	0.9
165.09148	0.9
169.12373	2.5
170.09531	1.4
171.10327	3.6
183.01227	1.2
187.09814	1.0
201.11311	3.4
213.11412	0.8
216.09988	1.7
225.15034	2.0
240.94725	0.8
261.18610	3.0
279.19650	1.8
289.18094	1.9
307.19138	4.3
325.20197	100.0
326.20627	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	5.8
59.01380	3.2
61.68151	2.2
66.20581	2.2
80.02689	5.0
82.24776	2.3
83.05046	4.0
84.02141	6.2
88.38691	2.1
97.06588	4.9
121.02964	3.2
123.08081	4.1
125.09724	77.9
128.95169	2.4
137.09720	36.8
145.03001	2.3
153.09125	2.8
155.10808	11.3
158.75574	2.3
171.10294	6.0
209.11885	15.1
227.12866	3.2
279.19748	4.6
288.80844	2.5
289.17972	6.8
307.19147	100.0
308.19470	9.6
325.20609	15.6
325.23837	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	325.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	2.3
55.08630	1.7
59.01369	3.5
69.03459	2.2
71.05023	11.3
71.42233	1.6
77.69661	1.4
83.05018	4.4
96.95467	1.8
96.96018	8.5
108.54213	1.4
123.08143	5.5
125.09725	77.2
126.10049	3.4
136.27336	1.5
139.11263	1.5
139.84612	1.7
151.07649	8.8
169.08704	100.0
170.09026	4.8
171.10281	7.2
173.11838	37.7
174.54689	1.5
205.04611	1.6
209.11716	2.9
214.92198	1.5
223.97606	1.7
257.37454	1.6
265.14789	11.4
275.20145	4.6
283.22849	2.0
289.17938	1.8
293.21240	4.8
307.19180	6.9
325.20007	8.9
325.23822	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	5.6
58.00586	2.2
59.01384	2.4
65.28130	1.3
69.03438	2.1
69.72403	5.7
71.01391	1.5
71.05014	1.6
83.05032	2.4
97.02972	1.7
97.06601	3.8
109.06595	2.3
111.08156	23.0
123.08189	2.4
125.06104	2.0
125.09715	22.9
127.11281	10.4
135.08228	1.9
137.09705	7.7
149.09724	2.1
151.11278	4.7
153.09213	4.9
155.10806	4.1
157.12352	2.0
165.09245	5.1
169.12372	1.7
171.10307	13.9
180.86703	1.5
183.10292	2.5
195.10271	3.1
197.11868	7.0
199.09781	5.3
199.13506	2.0
199.96049	1.4
201.11324	72.2
202.11728	3.6
209.11818	2.0
211.13397	1.6
213.11324	46.9
214.11626	2.8
237.14978	1.7
242.19876	1.8
245.19106	3.3
255.16119	2.0
289.18094	18.7
290.18375	2.3
307.19131	41.8
308.19565	3.3
308.58380	1.8
325.20178	100.0
326.20538	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
57.03442	2.1
59.01377	7.5
69.33280	3.1
69.33671	6.0
71.05004	5.7
83.43102	2.2
96.87599	2.0
106.04280	2.7
109.06599	2.6
116.12051	2.0
123.08170	5.5
135.08142	4.1
144.20212	2.0
152.69289	1.9
153.09253	2.4
163.11209	2.2
171.10262	7.3
185.11826	3.3
205.16003	3.5
207.13905	4.4
209.11806	2.2
231.13898	3.4
233.15535	3.7
235.13400	6.7
245.19124	13.9
249.14946	31.4
250.15126	2.3
263.16519	3.6
271.17087	2.5
289.18088	100.0
290.18356	8.9
307.19229	14.0
325.16550	2.6
325.20190	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.6
59.01368	1.4
71.48441	0.8
83.05035	1.7
96.63384	0.6
97.06600	1.6
109.06612	0.7
123.08147	1.5
125.09734	7.9
137.09724	8.6
151.11342	0.8
153.09236	1.2
153.12875	1.0
155.10794	0.7
169.08643	0.7
169.12364	1.9
171.10275	4.3
185.11813	0.9
201.11301	0.7
209.15475	1.5
215.81783	0.7
235.20688	2.7
245.19058	1.7
261.18387	0.9
263.20139	14.3
271.17111	1.1
279.19662	17.6
280.20013	1.4
289.18152	2.6
301.90048	0.8
307.19141	16.3
308.19769	1.4
325.20212	100.0
326.20547	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	325.2173
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
62.28352	0.5
67.64504	0.5
70.94127	0.8
81.08941	0.4
85.65989	0.4
91.52071	0.6
98.75797	0.5
102.17633	0.5
109.71067	0.5
129.88374	0.5
140.17023	0.4
149.09718	84.7
150.10088	3.5
163.11288	90.8
164.11635	5.1
183.01181	4.0
184.01984	0.8
207.52315	0.5
261.37592	0.5
325.18411	9.1
325.21716	100.0
326.18793	0.9
326.22119	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	325.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.2
59.01357	1.6
60.10990	0.9
71.04858	1.3
82.10722	1.0
97.06603	1.3
99.08136	1.4
101.95824	1.0
111.51950	1.1
113.09725	2.1
119.87050	1.0
121.10201	4.2
125.09737	2.2
127.11239	2.2
137.09741	2.1
139.11295	44.9
140.11633	2.0
151.11319	2.0
153.09189	2.1
153.12793	1.3
165.12703	1.2
167.10725	1.4
168.47353	1.0
171.10277	28.5
172.10658	1.5
177.12828	7.4
183.10268	1.3
275.20233	6.3
293.21222	13.3
294.21454	1.7
295.30630	1.2
307.19302	1.2
307.22726	17.8
308.23120	2.2
325.23810	100.0
326.24179	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	325.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56312	1.3
57.03452	1.7
59.01380	1.9
63.74009	1.0
66.86628	1.1
69.21439	1.1
69.74483	2.6
69.74873	2.2
97.06609	2.7
106.48967	1.1
121.10245	3.9
123.08125	1.1
125.09715	5.3
137.09726	2.7
139.11281	4.6
151.11256	8.6
155.10733	2.3
171.10251	23.2
172.10460	1.2
177.12845	3.4
183.01215	4.0
183.10278	6.2
197.02771	2.6
209.11871	3.3
248.86089	1.1
275.20187	7.8
293.21280	7.1
307.19159	11.0
307.22797	15.3
309.00931	1.2
310.21399	1.6
325.18048	11.8
325.23825	100.0
326.24197	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	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
62.80236	1.3
69.94536	3.0
71.05016	3.4
79.93468	1.0
92.14786	1.1
96.96024	1.7
99.08200	1.0
113.09710	2.0
115.07678	1.3
125.09722	1.9
139.11307	7.7
153.09172	3.0
160.84282	1.8
177.12857	10.1
179.10803	2.3
195.13890	46.1
195.15715	2.2
196.14249	2.0
211.13399	2.9
239.01236	1.2
249.22044	1.9
265.21774	1.9
275.20178	2.0
293.21207	33.2
294.21530	2.0
307.19400	1.4
307.22690	5.6
307.28503	1.0
310.21503	6.0
325.23819	100.0
325.86316	1.5
326.24121	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.2
59.30635	1.1
64.37339	1.1
69.24010	6.6
102.92858	1.1
105.90816	1.2
125.09724	1.3
139.11293	2.7
160.84314	1.5
167.10780	3.5
171.10291	3.2
182.17302	1.0
183.01219	1.5
183.10226	2.1
197.02817	1.4
265.21619	1.2
275.20218	1.3
293.21237	13.2
307.22653	2.2
310.21442	4.8
325.18091	5.1
325.23828	100.0
326.24130	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	326.0217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.6
68.99800	0.4
70.17826	0.8
70.18168	0.9
71.01376	1.3
72.99277	1.0
78.95903	1.5
82.88727	0.4
84.04041	0.4
87.00865	1.8
90.00184	0.5
93.03452	2.2
94.01896	0.4
111.00871	0.7
112.98800	1.2
118.02966	3.0
119.05030	3.1
120.05347	2.1
126.98895	0.5
133.02936	1.9
134.03764	1.4
134.04727	14.9
135.04454	1.8
140.02020	2.4
141.99986	1.3
142.85005	0.5
147.03018	0.6
161.02411	2.8
163.04018	1.9
164.03416	5.1
165.05577	1.3
168.99928	0.7
175.02400	0.5
179.03467	1.1
184.01016	100.0
184.14687	0.5
185.01163	7.1
185.02922	0.9
185.64017	0.6
193.05078	0.6
194.05400	1.5
195.03041	0.6
201.00363	0.9
282.08282	1.6
284.11047	0.5
301.02328	0.6
326.02203	2.3
326.11005	0.7
326.14838	1.1
326.96445	0.5
327.04486	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34531	0.3
56.47365	0.3
59.01384	0.3
61.98830	5.5
65.07331	0.3
69.25091	0.8
69.25475	0.7
95.29174	0.3
97.11658	0.3
101.91021	0.3
108.87250	0.3
118.15582	0.3
139.89960	0.7
140.02036	2.8
141.99904	0.5
146.73091	0.3
160.84233	0.4
177.15846	0.3
181.95268	3.3
182.95578	0.4
183.88976	0.8
183.94984	1.7
184.01016	100.0
184.88625	0.4
185.01176	6.9
326.02219	2.0
327.02347	0.5
340.61044	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93597	0.4
59.00217	0.4
59.01381	5.1
62.97862	0.3
68.05456	0.4
69.78064	0.8
69.78384	0.5
72.11077	0.4
78.88026	0.3
92.02549	0.5
99.39317	0.3
107.03629	2.3
118.05429	0.3
134.04730	100.0
135.04198	0.5
135.05185	1.8
135.96286	0.4
154.88661	0.4
156.70860	0.3
194.83951	0.4
194.85934	0.4
205.08455	0.3
216.11990	0.4
227.77119	0.4
232.76950	0.4
265.79227	0.4
266.08887	2.8
325.05530	0.5
339.09460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59183	1.2
59.01368	3.6
62.32880	1.0
69.54298	2.8
69.54680	3.1
72.04537	2.2
84.04537	6.0
95.15712	1.3
98.22833	1.4
100.04057	2.1
102.05608	100.0
103.05963	1.7
114.09232	4.6
121.02954	3.3
128.03542	81.9
129.03874	2.0
133.02948	2.2
135.04523	2.8
135.08173	1.9
137.09709	1.5
146.04601	87.6
147.04869	1.3
152.10768	2.0
153.09206	22.9
154.09531	1.7
160.04031	3.6
161.02484	1.6
165.09178	2.1
176.14372	2.3
179.03578	1.9
197.08214	5.7
220.13390	1.6
238.14494	12.7
264.12387	7.3
282.07748	4.8
282.13461	24.8
284.57751	1.2
299.05441	1.9
326.12436	76.9
327.05051	5.6
327.12442	6.2
344.42346	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27332	1.9
59.01374	2.7
61.98832	100.0
69.72594	5.0
69.72990	4.0
77.01154	2.1
80.30394	2.2
98.22556	3.7
107.42284	1.9
117.26771	2.1
120.99602	2.0
134.04634	2.3
135.04465	3.7
139.76662	2.0
146.03714	2.1
151.00334	2.6
326.20459	3.0
327.05029	3.2
327.22583	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	326.9525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09571	0.7
58.99596	1.2
59.01379	32.2
65.90586	0.7
69.30318	0.8
70.76202	1.1
71.01383	7.6
72.99290	0.9
73.02950	2.0
78.95911	2.8
82.03014	0.9
83.01393	1.3
85.02950	9.4
87.00876	100.0
88.01215	1.4
89.02454	8.4
90.97122	1.3
92.56801	0.8
99.00895	1.8
101.02457	7.2
101.29542	0.8
102.94377	3.1
102.98609	7.6
110.02477	5.9
111.00877	10.0
111.02027	1.9
113.02450	3.1
118.69939	0.8
119.03507	2.5
119.05008	7.0
122.02486	19.8
124.96497	1.6
126.98866	1.7
129.01935	2.5
130.08733	2.8
131.00153	1.1
131.04535	1.1
131.09047	0.8
132.98170	1.4
134.04721	6.8
142.96628	41.1
142.97563	15.1
143.00067	0.9
143.02042	2.0
143.96944	1.1
148.04077	1.1
152.03537	0.9
152.07242	1.2
156.98141	6.1
158.99788	4.1
160.97685	18.0
160.98885	1.6
161.04585	3.6
164.23143	0.8
166.97525	9.4
168.95395	4.4
168.99908	2.4
173.00937	1.1
177.36659	0.8
184.00970	1.4
184.97586	11.1
185.01198	1.2
186.96530	1.8
191.02025	4.3
200.05656	1.1
202.98758	8.0
222.94267	3.9
228.97546	57.9
240.86574	0.9
240.94337	29.3
243.06241	4.3
246.97702	1.1
266.93170	3.3
267.10834	13.0
281.12564	1.4
282.08279	2.7
282.95404	1.9
283.08511	6.0
284.08359	1.4
284.93268	1.8
297.07669	0.9
326.07452	1.2
326.94418	12.8
327.07556	1.6
327.13034	1.4
328.14127	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.9527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16464	1.0
57.03452	1.0
58.99593	1.2
59.01376	11.7
71.01384	5.6
72.00902	0.8
72.99296	4.2
73.02953	2.7
78.95900	7.4
79.15286	0.8
85.02961	3.6
87.00875	100.0
88.01241	1.4
89.02454	1.8
92.92823	4.0
94.92515	2.1
96.96980	1.2
101.02453	0.8
102.94405	2.5
102.98592	9.9
107.10172	0.8
108.90204	4.3
111.00884	9.7
112.89529	0.8
113.00185	0.8
113.03528	0.9
115.00385	3.5
117.01971	4.9
119.05049	6.6
124.96484	1.9
129.01924	3.0
131.04616	5.2
133.01463	6.9
133.02960	1.6
134.03749	2.1
134.04730	4.0
136.98560	3.1
142.48195	0.7
142.96637	1.4
142.97542	19.5
147.03020	3.2
147.06647	2.7
151.00127	1.0
154.97525	3.6
154.99565	4.2
166.97514	9.0
168.95450	4.3
170.96811	1.2
184.98610	1.5
185.28458	0.9
186.96513	1.9
191.01961	8.4
192.00584	1.2
193.01448	1.0
193.05055	1.0
194.05392	0.9
195.05611	0.9
211.06088	1.3
222.94221	4.1
228.90776	2.0
228.92871	5.6
228.97540	58.5
229.97969	1.3
234.01726	0.8
240.94366	1.0
266.93204	3.6
326.95419	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	327.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99603	16.8
59.01384	6.2
61.98824	1.9
69.12836	4.7
71.01376	2.2
74.99085	2.5
101.02437	1.5
102.98596	100.0
103.98982	1.2
114.05589	2.4
119.05027	90.4
120.05367	3.3
120.99641	2.1
121.06607	1.2
129.56657	0.8
161.04463	1.2
163.00670	3.7
163.04002	9.7
165.05586	2.3
291.13519	2.7
327.06567	1.7
327.10330	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	327.0721
Annotation	BERGENIN
Peak:m/z	Relative Intensity
59.01365	3.1
71.01395	1.3
80.19730	0.7
89.02433	1.0
121.02959	0.8
121.06586	1.3
124.01655	2.7
125.02477	4.9
133.02963	1.5
136.01640	2.8
137.02469	0.8
138.03229	4.2
147.04565	3.7
148.01640	0.9
149.02443	1.5
150.03162	1.6
151.04024	0.9
152.01147	1.3
161.02441	8.3
162.03203	6.0
164.01134	9.8
165.01817	1.8
165.05569	11.1
166.02718	9.3
167.03488	0.9
176.01105	0.9
177.01930	4.3
178.02737	4.1
178.99861	1.8
179.03462	0.8
180.00627	1.8
181.04956	0.8
183.03014	1.4
189.01979	3.0
190.02713	13.8
190.77863	0.8
191.03438	1.4
192.00645	100.0
193.01396	43.1
194.02191	34.2
194.04002	1.3
194.99367	1.0
195.02579	1.5
205.01421	12.5
205.05066	2.1
206.02180	11.3
207.02977	58.4
208.03325	2.8
209.00914	0.8
209.04532	2.9
220.03906	1.4
221.00836	4.4
222.01682	12.2
225.04001	1.1
233.00952	1.6
234.01695	42.3
235.02086	2.0
237.04022	10.2
249.04037	28.5
250.04367	2.2
255.74940	0.7
258.85818	0.7
279.04993	0.9
294.03845	1.8
309.06027	0.7
312.04843	36.7
313.05246	2.5
327.07205	55.8
328.07602	3.4
330.79431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
56.15781	0.3
59.01382	16.6
61.98825	1.0
62.84263	0.4
64.97264	0.4
68.73300	0.3
70.67001	0.4
71.01376	1.9
78.31351	0.3
83.01389	0.5
85.02949	0.5
93.03465	6.3
98.65308	0.3
101.02455	0.8
102.98602	1.1
113.02469	0.8
114.05616	0.5
119.03461	0.4
119.05038	2.3
121.05804	0.6
121.06611	7.6
147.04561	3.9
148.04755	0.3
161.04543	0.7
162.83990	0.4
163.93062	0.3
165.05576	100.0
166.05904	4.3
168.91339	0.4
192.06650	0.6
203.72420	0.3
327.10751	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	327.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52983	0.9
56.56282	0.9
57.03442	1.5
69.60860	3.8
71.05028	3.9
80.02675	2.3
84.02161	18.8
98.22592	1.2
99.08205	1.7
113.09743	2.3
125.09731	3.4
126.40904	1.0
127.11291	7.5
135.08154	2.0
136.28516	0.9
137.09726	26.2
141.09224	1.0
153.09229	2.0
155.10779	53.0
156.11113	2.8
171.10271	100.0
172.10635	4.4
201.11346	9.4
202.34448	1.1
207.41876	1.2
213.11354	6.1
227.78876	0.9
247.07632	0.9
256.00555	1.1
291.19574	1.8
309.20755	2.4
327.21753	26.1
328.22256	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	5.6
59.01366	4.2
62.40112	1.5
69.03479	2.1
70.93295	1.5
79.43269	1.5
83.28360	1.5
112.05917	1.4
113.09712	11.5
125.09701	7.5
127.11304	7.8
137.09720	2.3
139.11308	1.9
155.10751	4.3
157.05313	1.9
168.91394	6.1
169.12262	2.2
171.10286	10.9
177.45378	1.5
199.09793	2.6
201.11330	41.1
211.13556	2.3
213.11328	25.6
214.11763	1.9
244.37070	1.7
275.73096	1.8
281.21252	2.9
291.19650	4.8
309.20645	10.5
318.49887	1.6
327.21759	100.0
328.21933	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.7
59.91242	0.5
69.41142	2.2
72.99299	0.8
73.02976	0.6
97.06566	0.9
109.06586	1.1
111.08192	1.9
113.09745	0.6
116.83047	0.5
123.08172	1.2
125.09769	0.7
139.07626	0.9
139.11252	1.0
141.12862	1.8
155.14436	0.7
157.08661	0.5
157.12326	0.8
169.12332	1.9
170.09476	3.0
171.10219	1.3
171.13908	8.5
171.90941	0.6
180.17064	0.6
183.13899	2.0
185.11804	0.8
201.11230	0.9
216.10027	1.3
235.20676	0.8
245.19038	1.2
247.53670	0.5
253.21744	1.3
263.20099	5.8
281.21176	1.1
281.69958	0.6
309.20624	1.1
327.21756	100.0
328.22110	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
69.11486	34.4
80.02667	9.9
81.03448	8.1
83.05014	25.7
97.06569	5.8
111.08147	6.7
123.08202	5.7
125.09700	9.0
127.11309	6.3
137.09731	100.0
139.11276	16.4
151.11211	6.7
153.09283	6.3
155.10822	26.0
160.72630	5.3
165.85719	5.8
167.10754	6.5
171.10266	75.2
185.11830	7.0
191.25412	6.1
193.12279	9.8
200.82115	4.9
209.11884	12.8
211.13550	6.0
247.20760	6.1
276.10724	5.1
291.19666	37.8
309.20770	7.0
327.21588	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	327.2176
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
52.71300	10.7
53.03339	13.5
54.08680	11.9
57.03431	26.4
58.06379	11.8
70.07931	23.7
83.01378	32.8
83.05013	23.2
84.90935	12.0
85.16357	12.4
97.06581	29.3
117.45687	14.6
120.76093	13.9
125.09718	63.9
128.60089	13.5
128.67334	11.6
139.11240	23.4
141.09158	17.2
155.10698	20.5
163.11267	29.4
165.12843	40.8
167.10751	33.2
171.10284	62.1
181.12366	17.9
192.00589	14.1
209.11792	100.0
247.20667	31.0
257.20624	13.6
263.20099	32.5
279.12119	14.1
291.19623	57.4
294.28430	14.0
309.20804	72.4
312.51431	13.3
327.21777	72.9
328.21936	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98226	0.7
57.03446	7.7
58.00597	2.4
59.01365	1.4
62.05119	0.9
63.92859	0.7
69.10509	3.9
69.10906	1.5
73.02930	1.4
75.86256	0.8
97.06570	1.6
98.22707	1.7
113.09001	1.5
113.09740	21.1
114.10038	0.9
125.09720	7.3
127.11290	10.5
137.09715	3.1
139.11246	1.7
141.09239	1.5
149.41338	0.8
151.11308	2.4
153.09221	1.8
155.10759	6.7
157.12321	1.3
165.09186	4.8
165.12915	0.8
167.10719	1.1
169.12250	0.8
171.10286	11.3
172.95831	0.8
173.77249	0.8
177.09146	1.3
179.60451	0.8
185.11891	1.0
195.10242	3.6
199.09795	2.8
201.11328	70.2
202.11674	3.2
213.11322	42.8
214.11670	2.3
223.28117	0.9
291.19669	8.0
309.20709	14.5
310.21130	1.3
327.21759	100.0
328.22070	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	327.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55958	1.1
57.03440	7.0
57.54465	1.1
59.01366	4.8
63.12832	1.0
69.03424	1.3
69.68897	4.0
69.69234	1.1
73.02930	3.9
73.14648	1.2
79.00642	1.2
85.02941	1.6
97.06596	13.0
123.08176	5.8
125.09724	100.0
126.10033	5.3
127.11291	8.2
137.09723	1.5
139.11308	1.5
143.10779	94.1
144.11127	2.8
155.10757	5.7
157.12364	5.7
165.09187	1.8
168.91353	1.5
169.08687	3.4
171.10280	25.7
180.45296	1.1
182.82944	1.2
183.10277	1.5
183.13922	1.2
187.09750	12.0
197.11748	2.3
199.09799	1.4
201.11324	76.1
202.11604	3.3
216.46552	1.2
219.20682	1.2
227.12938	2.2
229.14406	1.5
250.58949	1.1
265.21667	9.5
269.21149	3.0
283.22635	1.5
285.20728	8.1
291.19543	2.1
299.22214	12.4
309.17487	1.7
309.20752	23.4
310.20969	1.9
327.21826	35.2
328.22009	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	327.2175
Annotation	Corchorifatty acid F
Peak:m/z	Relative Intensity
57.03438	1.7
59.31439	0.7
65.82116	0.8
69.03439	1.3
70.79779	0.8
73.43227	0.8
78.33569	0.7
85.02953	5.0
85.37116	0.7
86.24931	0.7
91.03247	0.7
95.05038	0.9
97.02969	1.1
97.06613	3.6
121.79128	0.7
125.09758	1.4
127.11276	1.6
135.72295	0.7
137.09738	1.4
152.51591	0.8
155.14381	0.9
165.12866	1.0
171.10277	13.6
177.12811	1.2
183.13896	3.6
185.11809	1.1
190.08992	0.7
192.01927	0.8
197.11871	1.3
209.11847	1.1
211.13383	21.0
212.13618	1.5
221.11827	3.4
229.14441	12.6
239.12877	2.0
291.19675	2.5
309.20898	1.4
327.21753	100.0
328.22156	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	327.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
56.89136	0.4
57.03453	3.4
67.65430	0.4
69.03448	4.5
69.35325	1.2
69.35716	0.7
79.14462	0.5
83.05009	0.8
84.02132	0.5
85.02947	15.7
95.05057	0.6
97.02940	2.3
97.06577	1.9
119.08681	0.8
125.09731	1.5
127.11288	1.3
135.08122	0.6
137.09714	4.7
143.67484	0.4
146.39629	0.4
152.21657	0.5
153.09128	0.5
155.10744	0.7
158.77313	0.4
165.12794	0.8
171.10268	35.3
172.10580	1.2
183.13895	2.9
185.11873	1.0
193.12337	0.6
194.04224	0.5
201.11299	2.2
209.11913	0.9
211.13376	10.9
212.13693	0.8
221.11818	1.4
229.14384	5.9
239.12869	1.5
291.19614	1.5
309.20731	0.7
327.21750	100.0
328.22098	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2328
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-4,7,10,13,1 6,19-Docosahexaenoic acid
Peak:m/z	Relative Intensity
54.62297	8.7
59.01385	40.7
71.16232	10.5
143.67615	6.5
173.37785	7.4
184.66159	8.1
186.38016	6.9
214.20810	9.5
229.19548	15.5
283.24255	91.4
289.29807	7.8
327.18100	14.1
327.23251	100.0
327.29059	18.7
328.23669	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	327.2903
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01380	98.9
59.10276	8.0
70.82584	9.4
80.34596	7.9
327.18286	13.9
327.29044	100.0
328.29330	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	328.0452
Annotation	cAMP
Peak:m/z	Relative Intensity
56.24230	0.1
59.01369	0.4
67.60063	0.1
69.99962	0.3
70.28918	0.1
71.01369	0.2
72.93211	0.1
72.99292	0.2
74.80550	0.1
78.95904	0.7
85.02932	0.1
92.02562	0.9
96.96997	0.2
107.03642	3.9
130.08757	0.4
130.81483	0.1
132.94627	0.4
134.04733	100.0
135.04221	0.2
135.05157	2.1
155.54115	0.1
174.13614	0.1
185.02910	0.1
192.99045	0.2
230.98138	0.2
321.69269	0.1
328.04538	3.6
329.04718	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74051	3.2
58.94509	3.1
58.99598	5.6
59.01381	100.0
61.40872	2.9
61.98834	88.4
69.08991	3.3
71.01380	10.1
71.42458	4.3
74.99100	6.3
87.00928	3.6
96.22700	3.3
102.98632	5.3
111.00904	12.5
117.00438	3.6
123.04513	4.8
134.04761	6.6
149.00922	3.6
157.36653	3.2
162.83858	3.7
167.03542	3.6
168.99973	5.5
170.88390	6.0
170.91159	12.2
170.97813	4.6
178.05104	11.1
180.06783	3.5
186.00786	3.7
187.01054	4.1
193.07460	7.9
206.08253	7.3
211.00934	16.2
217.07454	3.5
236.98969	9.6
244.85423	3.9
268.91293	4.1
274.99698	3.7
277.68552	3.3
284.09561	12.5
328.08475	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	328.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01299	3.1
59.01360	5.1
61.98822	2.5
69.05040	18.9
72.04541	7.5
73.02925	6.7
84.04549	13.2
95.08827	2.6
102.05602	27.2
114.09243	14.5
128.03554	37.2
137.09671	14.2
146.04597	5.1
155.10783	67.6
157.65742	2.8
162.84009	3.2
199.09756	50.9
260.71228	2.5
284.14993	9.1
310.12845	15.8
328.10229	5.7
328.13995	100.0
329.14346	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	329.0852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	16.4
61.98832	100.0
64.86819	1.6
70.28460	1.7
70.28757	1.6
71.01375	2.0
73.39738	1.4
78.95907	3.0
80.71490	1.9
86.71992	1.7
87.00877	1.6
89.02454	2.0
91.67751	1.6
111.00887	5.7
117.00443	3.3
134.04834	1.7
135.05096	2.2
143.03592	1.9
149.00928	2.0
150.05635	3.6
154.91568	1.5
159.01514	8.5
162.66812	1.5
167.03537	4.8
168.99960	3.1
170.97873	3.2
171.01535	1.8
187.00974	11.5
192.99998	1.9
201.02509	2.1
209.04523	2.4
211.00986	13.8
236.98970	6.1
269.01328	1.7
274.99503	3.0
329.08734	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	329.0878
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
57.03439	0.7
59.01378	2.9
65.00323	0.5
69.30154	1.5
71.01392	1.6
72.99309	0.4
81.03456	5.4
82.03806	0.3
83.01377	2.5
85.02964	0.8
87.00887	1.0
89.02471	0.3
90.48778	0.3
93.03444	0.8
95.01382	0.4
95.05040	1.5
97.02956	1.0
99.04547	1.2
101.02422	0.4
102.98602	0.4
103.00371	0.3
107.01398	0.3
109.02926	0.3
112.98803	0.3
113.02460	0.8
117.03442	0.5
119.05048	0.4
121.02919	0.4
123.04524	36.5
124.04848	1.3
125.02441	4.2
130.08746	0.5
135.04562	1.2
137.02443	1.1
137.06091	0.3
139.04036	1.1
148.90970	0.5
149.00996	0.4
149.02438	1.2
149.82632	0.3
151.00363	1.5
151.04022	1.0
153.09215	4.8
161.02464	0.6
163.04019	1.7
166.02623	0.6
167.03494	100.0
168.03836	4.0
175.00360	1.1
179.03481	1.0
180.04214	0.6
181.05046	2.9
191.03494	21.0
192.03799	1.2
197.08202	1.8
209.02611	0.6
209.04543	9.3
210.04944	0.3
221.04538	2.5
233.04764	0.5
239.05630	0.3
269.06561	0.3
286.16760	0.3
328.22235	0.4
329.05731	0.5
329.08862	5.2
329.16229	0.3
330.09079	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0876
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.01890	1.3
57.03436	2.2
58.00577	1.2
58.28460	1.1
59.01379	84.3
69.07868	8.2
71.01382	33.9
72.99302	1.2
73.02948	1.3
83.01379	2.5
85.02947	8.0
87.00883	1.5
89.02444	29.6
91.01891	1.5
95.01387	2.6
98.21898	2.8
101.02448	18.7
101.21728	1.0
107.01410	3.3
108.02192	6.1
109.02968	2.9
109.09097	0.9
113.02449	12.1
119.03489	11.3
122.03736	1.4
123.04521	10.8
125.02388	1.0
127.02689	1.0
129.24969	0.9
131.03557	1.1
134.03754	1.2
143.03444	1.3
150.03218	1.8
151.00406	3.5
152.01132	7.4
157.21951	1.1
159.05954	1.0
161.04594	1.4
166.02710	6.5
167.03493	61.5
168.03804	2.3
179.05626	1.3
181.05048	10.8
194.02185	3.4
203.51750	1.0
209.04552	37.6
210.04926	1.1
239.05620	3.0
269.06702	10.7
286.10925	2.5
297.51602	1.2
329.08768	100.0
330.09128	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0877
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.86800	2.8
57.03633	3.2
59.01381	20.0
71.01376	3.7
88.04042	5.3
108.02176	62.3
123.04520	25.9
134.75644	3.3
136.88194	3.0
152.01144	40.6
159.01405	2.9
167.03502	100.0
168.03864	5.5
170.91087	5.0
330.12048	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	329.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53242	1.6
59.01374	40.3
61.98821	7.1
68.52559	1.7
69.47743	2.1
71.01374	16.4
73.02956	2.0
78.95920	3.2
85.02929	5.7
86.72658	1.7
87.00889	2.1
89.02425	4.7
99.04454	1.6
101.02441	6.7
108.02160	2.6
111.00858	3.8
113.02446	5.4
117.00441	6.6
121.02966	2.8
122.03738	100.0
122.06129	5.0
123.04572	16.7
131.08212	1.7
135.04469	1.9
136.07671	2.8
141.95586	1.6
150.05542	10.3
152.07129	1.8
159.01492	27.9
159.02786	2.2
161.04567	10.6
165.05551	4.7
167.03494	6.7
170.97813	4.0
171.01520	2.0
177.05632	2.9
185.01259	2.0
186.98401	4.6
186.99152	2.7
187.00970	46.8
188.00690	3.7
201.02568	5.2
204.10248	1.7
209.04495	3.6
211.00996	4.9
224.98955	2.4
255.00012	2.5
269.09964	3.9
303.02515	2.0
312.10828	5.7
328.77335	1.9
329.01501	1.7
329.08710	13.9
330.11832	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	329.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38961	0.7
59.01378	100.0
60.01707	0.9
61.01406	0.7
62.17632	0.7
69.15591	4.6
71.01376	5.8
73.02955	1.8
83.01383	1.0
85.02969	2.4
95.01386	1.0
99.00859	0.9
101.02433	5.0
106.86191	0.8
108.02172	5.8
111.00922	0.8
113.02457	2.0
116.08378	0.7
151.46173	0.7
152.01143	5.4
153.09225	3.3
160.97189	0.7
161.04594	3.2
167.03493	56.1
168.03871	1.9
189.57880	0.8
197.08170	3.7
231.41304	0.8
242.18723	1.0
269.10318	5.4
283.10944	0.7
303.14420	0.7
310.79391	0.7
316.80823	0.7
320.65704	0.9
329.12613	1.9
330.20499	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1243
Annotation	(1'S,2'R)-1'-(4-Hydroxyphenyl)propane-1',2'-diol 2'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.15394	1.1
57.03444	1.2
58.00578	1.3
59.01379	100.0
59.62767	1.1
61.98838	2.3
69.31690	2.2
69.32079	3.7
71.01382	48.8
72.99306	1.3
83.01409	2.4
85.02945	8.3
87.00881	3.1
89.02444	54.8
95.01382	2.1
98.21882	2.1
101.02446	25.4
113.02448	18.8
118.57810	1.2
119.03506	22.8
119.04929	1.1
121.02962	1.3
131.03471	1.3
134.03757	17.5
135.04543	2.4
143.03529	2.4
149.04768	2.3
149.06049	17.8
152.01172	3.4
152.04839	2.0
161.02438	1.7
161.04564	2.7
162.05646	1.2
167.03503	3.6
167.07094	2.6
179.03442	2.1
179.05650	2.6
197.02773	1.5
197.04523	1.9
211.04317	2.9
241.06026	1.1
285.09512	4.1
329.11560	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	329.1394
Annotation	Macquarimicin A
Peak:m/z	Relative Intensity
50.66755	0.9
59.01382	7.1
69.62159	3.8
75.76115	1.0
86.78029	0.9
95.69306	0.9
98.21896	1.0
104.91371	1.2
121.02960	14.4
122.03780	4.8
123.00848	1.6
123.04557	1.2
124.01640	1.0
130.04248	1.4
136.05290	3.6
137.02399	1.0
143.05020	2.3
145.02960	1.6
146.03716	1.0
147.04506	9.3
149.02464	4.2
149.06094	1.2
150.03224	8.6
151.04034	1.8
158.03716	13.0
159.04520	35.7
160.05299	93.9
161.06093	33.6
162.06386	1.7
163.04005	7.9
164.04774	9.2
171.10274	7.6
173.06073	11.6
174.06857	2.4
175.07645	64.2
176.04759	2.0
176.07988	2.7
177.05576	12.2
178.04771	1.5
178.06349	28.8
179.06728	1.1
188.33130	1.0
192.07939	7.8
193.08699	7.4
227.05998	4.7
269.07062	24.8
269.09924	1.3
270.07886	1.1
329.13922	100.0
330.14325	9.6
343.61685	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1759
Annotation	Carnosol
Peak:m/z	Relative Intensity
52.54994	1.8
55.11197	2.0
59.01373	2.6
61.98804	2.9
66.22675	2.1
69.36206	10.5
80.02685	5.1
81.03450	3.7
83.05003	1.8
93.03474	3.7
95.05024	7.8
106.04264	2.4
107.05023	6.0
109.06596	2.6
121.14622	2.0
163.11279	6.6
170.91130	4.8
185.60583	2.2
190.35988	1.9
191.14493	13.4
222.08997	2.1
223.43816	2.1
269.15436	2.3
285.18591	100.0
286.18994	11.2
329.17581	72.0
329.23642	6.5
330.17813	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	329.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71090	43.8
59.01386	50.4
70.35175	64.0
115.95419	43.1
118.19946	42.6
143.81517	43.3
202.11195	50.4
221.15517	85.1
236.10547	91.3
283.37476	49.4
293.17892	72.5
293.21045	100.0
299.29370	51.0
337.35498	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2333
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
56.70201	0.7
57.03432	1.3
65.13364	0.8
70.95267	1.4
99.08171	5.4
125.09689	0.8
127.11299	4.3
129.09210	0.9
139.11288	7.3
151.65475	0.8
157.12338	1.0
167.14407	1.3
171.10272	20.8
183.13857	4.8
193.12346	1.8
211.11382	1.4
211.13399	28.0
212.13774	2.3
229.14423	12.7
230.14897	1.3
311.22183	1.0
329.23325	100.0
330.23688	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	329.2334
Annotation	9S,12S,13S-Trihydroxy-10E-octadecenoic acid
Peak:m/z	Relative Intensity
51.13261	0.8
58.00592	1.6
59.01371	5.1
60.43040	0.9
61.98839	1.5
69.87083	3.0
73.51314	0.8
95.02695	1.0
98.22578	1.4
99.08163	8.9
127.07662	1.8
129.09225	6.9
151.96527	0.9
169.12331	5.6
170.88400	0.9
170.91045	1.2
171.10287	1.8
181.12355	4.5
183.13878	1.1
193.12445	1.3
197.11806	2.1
199.13400	19.9
209.57788	0.8
211.13368	11.2
227.12816	0.9
229.14294	1.0
275.20074	0.9
291.05090	0.9
293.21283	1.7
311.22488	2.1
329.23322	100.0
330.23666	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2487
Annotation	(All-Z)-4,7,10,13,16-docosapentaenoic acid
Peak:m/z	Relative Intensity
52.71845	10.9
59.01378	14.8
70.35735	28.7
120.60668	11.8
124.30933	11.3
130.52197	10.9
135.66901	10.1
157.25317	13.2
173.39995	11.1
220.97469	9.7
231.21220	17.6
236.10397	15.9
243.99303	12.8
259.45248	11.2
285.25778	25.3
329.24823	100.0
330.25131	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	330.075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26602	12.6
59.01369	63.6
60.01692	19.7
65.24129	13.8
71.01368	52.0
71.46301	15.8
73.04861	15.7
75.67074	13.3
79.49091	14.4
88.04037	24.8
89.02431	30.5
99.19707	12.9
101.02399	15.0
104.33531	12.2
108.02173	33.8
109.21944	16.4
113.73457	12.9
116.19625	14.3
123.04444	16.7
128.03569	16.9
130.08728	44.7
134.03711	15.8
135.04547	28.3
150.89821	14.3
167.03377	40.5
168.03824	30.2
210.04863	34.7
217.07068	15.2
241.05211	18.1
242.05797	27.5
286.10944	68.5
330.09167	100.0
330.16483	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.083
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	2.3
59.01380	100.0
69.89801	6.2
71.01386	45.8
73.02926	2.8
83.01425	3.3
85.02951	7.3
89.02448	50.3
95.01416	3.7
101.02435	22.6
102.05623	2.4
108.02203	3.7
108.42950	1.9
113.02473	19.3
115.44088	1.7
119.03489	19.7
122.03743	2.9
130.08694	2.7
138.01965	5.7
143.03500	2.5
151.02864	2.3
152.03531	17.8
154.01204	3.8
161.04581	5.4
166.01469	4.8
167.02222	3.2
168.03024	57.6
179.05566	4.0
192.03087	4.9
210.04112	12.9
222.04057	6.2
232.12694	1.9
270.06256	2.5
286.10913	3.2
286.14093	3.0
330.08350	82.0
331.08762	4.7
351.08578	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	330.1194
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.41381	0.7
52.53507	0.8
56.96931	0.9
57.42263	0.8
59.01379	15.7
61.46156	0.8
71.01378	7.2
71.43226	0.9
72.99309	1.8
73.02941	2.0
73.79243	0.8
78.95912	1.8
79.62164	0.8
79.79844	0.8
80.44331	0.9
83.01395	1.4
85.02956	3.5
86.00105	3.8
87.00877	25.6
89.02447	3.0
94.06681	0.9
95.01422	1.3
101.02455	4.6
107.03767	2.3
108.02184	3.5
109.02985	1.0
111.00934	1.2
113.02449	3.9
121.05331	5.7
122.03788	1.3
122.06122	40.1
123.06450	1.7
129.01956	1.0
130.08759	3.0
134.04715	0.7
134.06117	4.4
135.03320	1.8
136.07690	17.6
136.08752	0.9
136.90019	0.7
138.05621	1.6
146.06111	1.3
148.04044	1.0
148.07726	1.5
149.04826	2.4
150.05608	100.0
151.05919	5.1
152.07175	8.0
155.44017	0.7
158.06136	1.7
159.01541	0.9
161.04665	2.9
162.05676	3.6
164.07187	3.0
168.06714	0.8
174.05594	2.7
175.06378	3.5
176.07172	8.9
179.03636	0.9
187.01076	1.7
188.00418	3.8
189.00667	1.1
192.06656	2.3
194.08215	3.5
204.06720	3.1
222.07788	3.4
252.08852	2.2
302.16797	1.1
312.10889	53.8
313.11292	3.6
330.11963	37.7
330.15518	5.4
331.12189	2.4
331.15768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2073
Annotation	Megastachine
Peak:m/z	Relative Intensity
61.98810	1.1
66.03482	1.2
67.01892	1.2
68.07839	1.0
69.03448	2.2
69.47424	3.4
69.89014	1.1
70.59485	1.1
80.05071	2.3
83.05038	5.4
94.06613	1.4
95.03764	2.8
95.05043	5.0
95.09066	1.1
108.04565	1.4
109.02965	2.2
109.05290	1.4
110.03740	4.3
110.06128	7.2
110.06833	1.6
111.04510	10.6
111.06924	4.4
112.07674	2.8
113.06097	3.0
125.02382	1.8
142.02728	3.3
168.75586	1.1
191.14479	1.4
192.14807	2.0
205.12338	16.7
206.12808	2.0
219.13902	100.0
220.14354	9.5
231.13870	1.3
239.17941	1.5
239.72310	1.1
252.13606	2.6
259.20670	4.8
263.16422	1.4
268.20691	2.1
285.18680	14.0
286.18903	23.0
286.21817	15.8
287.19882	5.7
300.20471	1.6
303.19699	1.7
330.17725	9.8
330.20761	42.0
331.18860	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2074
Annotation	Tricalysiamide B
Peak:m/z	Relative Intensity
53.35598	0.5
69.37409	0.6
69.87119	1.6
70.30963	0.6
76.21358	0.5
78.46223	0.5
80.05059	15.1
86.13217	0.6
108.02137	1.1
111.04542	0.9
145.18666	0.6
198.56725	0.7
205.12317	14.7
206.12727	1.0
219.13889	100.0
220.14388	9.4
231.13878	2.0
252.13640	1.3
256.20724	2.2
263.16495	1.0
285.18588	11.1
286.21799	0.7
294.24341	0.7
300.19577	10.2
301.20148	1.1
330.20743	57.1
331.21432	4.7
337.64297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60892	0.7
56.98026	0.8
58.80862	0.8
59.01364	3.0
63.96230	2.8
64.07385	0.7
70.12452	1.0
70.12788	1.6
71.01371	1.3
72.99318	2.1
73.98323	1.7
74.99095	100.0
75.99444	0.9
77.31027	0.7
78.95907	2.3
83.15350	0.8
85.02968	1.2
89.02477	0.9
96.95995	0.8
108.02192	3.4
110.00119	0.9
117.97336	1.9
125.02467	2.2
134.03754	2.2
135.98320	3.8
136.99144	88.8
137.99536	2.3
140.79120	0.9
146.34570	0.7
147.72464	0.7
149.06122	2.0
153.01933	15.2
158.07228	0.8
166.00966	1.3
167.03468	1.9
168.00592	1.0
168.04305	7.2
169.05037	1.6
181.03319	1.9
193.05020	0.9
193.29965	0.7
273.45203	0.9
276.33627	0.8
331.06815	2.0
331.10513	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1033
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
59.01373	1.0
62.54022	0.3
68.32256	0.3
69.79391	0.5
69.79778	0.6
71.01373	2.2
72.99305	0.3
73.02933	0.7
74.99089	0.6
82.00596	1.7
82.01050	0.2
83.01347	0.4
85.02936	1.6
87.00864	0.5
87.72693	0.2
93.03426	0.3
99.00880	0.3
101.02450	1.3
108.02172	1.2
109.02985	0.5
110.00091	6.1
111.00930	0.3
113.02444	2.5
121.02991	0.3
122.97621	0.9
123.04570	0.4
124.01659	0.6
125.02453	6.5
133.02940	0.6
135.04523	0.9
136.01691	0.3
136.99152	0.6
137.02405	0.4
137.99591	7.9
138.03177	0.3
139.00395	3.3
140.01135	0.3
151.00323	0.5
152.01166	2.2
153.01935	100.0
154.02652	4.5
155.03471	0.9
161.02455	0.6
161.04514	1.8
166.02751	0.8
167.03487	8.9
168.04280	51.8
169.01389	1.7
169.05055	13.3
170.05363	0.5
178.72241	0.3
179.03532	1.4
181.01422	0.4
181.05090	0.4
184.85678	0.3
191.03407	0.5
196.03766	0.5
209.04584	0.5
211.06160	0.6
316.07916	0.6
331.06586	0.3
331.10306	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	331.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30880	2.6
55.04920	2.4
59.01383	12.5
60.18655	2.8
62.45214	2.4
70.89792	3.7
71.01408	3.2
98.15133	2.7
108.02203	9.2
109.72400	2.7
134.06111	5.1
160.84169	5.5
161.04568	4.2
162.05865	2.9
212.10825	8.5
239.08244	5.0
240.09042	8.9
255.11421	100.0
256.11749	7.0
263.25717	2.6
289.20169	8.4
331.25049	3.8
331.94000	3.3
347.96411	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1763
Annotation	Rosiridin
Peak:m/z	Relative Intensity
55.01877	6.1
57.03440	7.0
58.00587	1.4
59.01380	100.0
71.01382	98.5
72.01743	1.0
72.99301	2.8
73.02946	23.2
81.03471	1.3
81.24274	0.9
83.01379	13.0
85.02951	36.9
86.57671	0.9
87.00873	3.3
87.04515	16.9
89.02448	54.4
93.77210	1.0
95.01378	5.3
97.02998	1.7
99.00887	7.3
101.02444	74.5
108.02186	3.2
112.98837	1.4
113.02451	40.2
115.92064	1.1
116.05091	2.2
116.92851	2.7
119.03513	22.3
125.02472	13.9
129.01956	2.1
130.93184	1.1
131.03474	1.4
133.02994	2.8
135.04527	3.0
143.03505	2.5
146.14873	1.1
146.71210	1.0
149.04556	1.5
151.11292	2.2
159.03003	5.5
161.02431	3.1
161.04546	18.3
169.12332	8.0
172.03789	1.0
179.03514	2.5
179.05576	1.6
193.05083	3.7
203.08235	6.5
253.14769	1.0
293.59161	1.0
331.17746	3.2
332.13809	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	5S,6S-epoxy-18R-HEPE
Peak:m/z	Relative Intensity
57.03432	1.4
59.01369	1.5
61.98815	0.7
69.68768	2.2
69.89314	0.6
71.73994	0.8
83.05021	11.4
83.53944	0.7
85.02952	3.0
88.62466	0.6
93.03455	8.5
95.05023	3.3
98.03747	1.7
98.22555	1.5
107.05051	0.8
108.02177	1.9
109.02978	0.9
111.04521	11.4
112.04839	0.9
113.06073	3.3
122.36318	0.6
135.04553	1.2
137.09758	0.7
138.75349	0.7
149.09712	1.1
161.04486	0.8
167.10738	1.9
205.12317	3.2
219.13986	1.2
243.17288	1.2
243.95346	0.6
257.19113	1.8
259.17905	0.9
259.20651	17.6
259.23273	1.3
260.21033	1.5
269.19104	7.1
275.20108	1.5
287.20157	27.7
288.20520	2.1
303.19781	1.8
331.19144	100.0
332.19452	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	331.1914
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
57.03447	0.7
59.01370	1.2
67.81841	0.9
69.03447	1.8
69.29161	3.4
69.29562	1.6
71.01390	0.8
78.98347	0.7
80.91644	0.9
83.05032	7.9
84.02165	2.9
85.06573	1.0
93.03407	0.9
97.02956	2.2
106.98019	1.0
108.02187	0.9
110.03738	32.5
111.04549	13.2
114.34709	0.9
121.52375	0.9
134.28671	0.9
164.50647	0.8
243.17540	10.7
244.17953	1.0
257.19080	2.0
259.18210	1.3
259.20667	14.0
260.21002	1.3
269.19153	4.1
287.20142	42.0
288.20453	4.2
303.19623	10.2
310.91159	1.0
330.76190	1.3
331.19128	100.0
332.19275	14.0
349.01984	0.9
352.32498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1916
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
69.03462	3.0
70.93450	1.3
83.05020	14.6
85.06587	2.0
85.54118	0.8
93.03458	3.4
95.05036	12.5
96.00193	1.0
98.03752	1.9
108.02176	0.9
109.02962	9.1
110.03738	11.7
111.04527	36.9
113.06085	7.5
125.02460	6.3
142.02742	6.6
197.29784	0.9
217.12361	2.4
217.15935	1.7
219.13945	7.5
233.15666	0.9
243.17659	4.6
243.19737	1.0
251.31444	1.1
257.19299	1.3
259.20645	13.9
269.19186	2.3
287.20172	46.2
288.20544	2.9
320.41513	1.2
331.19147	100.0
332.19510	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	331.1915
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
57.03451	1.3
59.01351	1.1
61.98827	0.9
69.03466	8.6
70.31997	1.3
71.01365	1.4
71.05017	2.5
72.41230	0.7
80.02671	0.8
81.03473	0.9
83.05026	41.6
84.05391	1.2
93.03478	1.7
95.05022	1.1
97.02923	3.0
97.06599	2.0
107.05026	2.5
108.02192	1.0
110.03751	0.6
111.04521	39.0
112.04854	1.6
121.06628	0.8
142.76468	0.6
152.09920	0.7
177.12860	1.3
187.11310	1.1
189.12735	0.9
215.14331	1.0
217.15891	1.0
233.15520	1.3
259.20700	2.2
262.11829	10.0
269.19092	3.4
271.16818	0.8
275.20038	1.0
287.20172	30.6
288.20367	3.4
303.19623	0.8
331.19128	100.0
332.19440	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1915
Annotation	Carnosic acid
Peak:m/z	Relative Intensity
59.01354	2.2
69.03451	4.6
70.97359	1.8
71.05022	3.5
75.94154	1.1
83.05028	4.5
84.02170	2.6
84.16370	1.3
86.89261	1.2
88.44836	1.2
95.05054	6.9
104.18785	1.2
107.05002	1.8
108.02165	3.0
110.03736	14.0
111.04536	4.4
114.23764	1.1
135.04610	1.2
139.70805	1.4
151.92433	1.1
187.11116	1.6
189.12871	2.3
215.14456	5.2
217.15956	8.7
243.17546	5.1
257.19443	1.6
259.20712	8.3
268.76157	1.3
269.19150	4.9
271.28278	1.5
287.20169	40.7
288.20477	4.5
303.19675	6.1
331.19165	100.0
331.23810	9.9
332.19443	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	331.1915
Annotation	5-Dehydrosinularolide
Peak:m/z	Relative Intensity
51.80337	0.3
52.24955	0.3
53.91727	0.3
63.52687	0.3
70.67789	0.6
83.05012	1.8
85.06595	0.5
95.04982	0.4
103.19568	0.3
109.02957	0.5
110.03735	4.6
111.04529	1.7
131.02736	0.3
149.91637	0.4
155.08656	0.4
160.18437	0.3
219.19504	0.3
243.17513	3.0
257.19113	1.3
259.20660	4.4
260.20905	0.5
271.16977	0.5
287.20163	26.9
288.20450	2.5
303.19705	0.4
331.19128	100.0
332.19449	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	331.1915
Annotation	5-Dehydrosinularolide
Peak:m/z	Relative Intensity
59.01365	1.1
60.90878	0.7
61.98821	0.7
69.03465	0.8
69.98026	2.0
69.98398	0.8
78.01963	0.7
83.05022	6.1
93.03414	0.8
93.93161	0.6
95.05028	9.9
103.78469	0.7
108.02160	1.9
109.02930	2.2
110.03732	5.0
111.04518	8.8
125.02439	1.0
134.34402	0.8
173.88620	0.8
197.90291	0.9
259.20648	3.2
269.18961	1.3
274.41965	0.7
287.16925	1.3
287.20163	25.8
288.20532	1.8
307.89890	0.7
331.19138	100.0
332.19415	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	331.1913
Annotation	3,10-Dihydroxy-5,11-dielementhadiene-4,9-dione
Peak:m/z	Relative Intensity
55.41462	0.7
69.21822	3.2
91.85052	1.0
92.62895	0.7
108.02171	1.1
164.11429	0.8
199.56876	0.7
223.93839	0.7
250.14513	1.0
259.09772	7.1
260.10550	1.9
301.14188	0.8
315.15979	2.6
316.16791	2.3
331.19131	100.0
332.19446	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	331.249
Annotation	9,10,18-Trihydroxyoctadecanoic acid
Peak:m/z	Relative Intensity
52.21138	0.6
54.73106	0.5
59.01384	1.0
61.98834	0.7
70.84534	0.6
80.08033	0.6
83.15247	0.7
106.04198	0.9
107.05021	5.8
108.02194	1.0
109.06585	1.3
111.04516	1.0
121.06615	2.5
125.09728	1.5
127.11294	7.2
129.67313	0.5
130.77277	0.7
143.10777	1.1
155.10777	1.9
157.12331	3.8
166.84410	0.6
171.10262	2.1
201.11256	1.3
220.93608	0.7
267.17334	0.6
269.19156	2.3
276.91727	0.7
287.20163	6.1
295.22754	1.5
311.22360	1.0
313.23859	7.0
329.23349	4.3
330.23529	0.7
331.19052	20.8
331.24854	100.0
332.19449	2.1
332.25293	9.8
332.29126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48267	13.4
59.01361	47.9
68.85910	13.6
94.23827	16.1
105.54099	15.2
127.07639	100.0
134.79216	14.6
175.92633	15.7
199.59119	13.1
222.06979	13.3
241.70677	14.3
325.18259	19.5
329.84366	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	333.0252
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39788	3.6
57.03442	10.1
59.01380	13.3
61.98835	4.1
63.02402	4.2
65.00322	17.1
67.15756	3.9
68.99814	4.6
69.14805	27.1
72.99328	6.3
81.03458	9.7
83.01373	20.1
87.00857	9.9
93.03455	24.0
98.44498	3.8
99.40423	3.8
101.02402	4.2
105.03413	4.9
107.01379	19.0
107.05041	6.6
109.02949	24.9
109.06565	7.0
112.98554	7.6
113.02412	4.3
119.05038	6.9
123.04530	8.1
124.01650	10.7
125.02444	78.2
127.07641	12.4
129.01945	6.5
133.02942	11.4
134.03731	10.9
135.04526	17.1
137.02441	87.7
138.02812	3.7
142.02965	14.3
147.04555	9.8
149.02452	6.3
149.06160	6.9
151.00359	55.2
151.04034	9.4
152.01163	26.1
159.04578	7.7
160.04051	7.5
161.02417	20.8
163.03911	3.8
170.99120	9.7
171.06602	17.7
173.05971	7.4
174.03229	7.3
175.04005	16.3
178.99887	24.5
179.03482	18.8
180.00420	4.2
185.03575	7.2
186.01939	15.6
189.05573	9.6
193.05070	16.6
199.03944	6.4
201.01689	10.4
203.03343	10.6
205.01379	13.4
216.04324	9.5
217.05020	36.8
221.04544	27.6
227.03503	17.1
245.04535	100.0
246.04871	5.7
247.02473	67.0
261.04025	9.7
289.03519	89.0
289.08444	8.8
290.03732	5.4
333.06732	5.5
333.20618	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	333.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.6
59.01385	0.9
64.91221	0.5
65.24567	0.6
69.31014	2.6
75.18986	0.5
78.03486	0.9
92.05038	1.8
94.06647	4.1
104.05075	2.9
105.03455	2.0
106.06624	11.3
107.03761	1.2
108.04547	1.2
120.04557	5.7
121.05334	1.5
122.02534	0.7
122.06127	16.1
123.03257	2.0
124.07669	0.7
131.03735	1.2
132.04550	7.8
135.03267	0.9
138.05617	23.2
139.05902	0.8
148.03992	1.3
150.05627	2.0
166.05016	0.6
174.12874	1.1
176.79897	0.6
189.07916	1.3
202.12384	0.8
215.11858	1.5
217.07405	1.7
229.09833	0.6
231.08952	0.8
231.11424	1.1
231.13783	0.6
241.09810	3.4
243.11389	2.3
253.61502	0.6
259.10867	0.8
271.10895	1.8
289.11932	100.0
290.12234	7.6
333.10876	8.5
333.17200	1.3
333.20636	0.8
334.11172	1.1
346.99469	0.6
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
54.16231	0.7
58.55590	0.8
59.01376	1.5
61.98810	1.0
69.06119	3.4
69.06530	1.9
70.60711	0.7
80.49976	0.8
83.05026	1.0
92.05047	2.3
94.06628	3.6
104.05089	2.3
105.03456	2.8
106.06614	13.1
107.03804	1.2
108.04569	1.2
110.78100	0.8
120.04535	5.9
121.05367	1.6
122.06120	16.5
123.03236	1.5
128.33527	0.9
131.28674	0.7
132.04533	7.5
138.05609	21.4
150.05611	2.7
178.77789	0.9
189.07957	1.5
198.07782	0.9
208.46474	0.8
212.09431	0.8
215.11841	1.0
217.07410	1.1
231.08946	1.0
236.92528	0.9
241.09892	3.2
242.57150	0.8
243.11388	2.7
256.08609	1.0
271.11014	1.2
289.11932	100.0
290.12271	7.5
333.11002	9.5
333.15054	1.5
333.20447	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.4
60.83829	2.6
61.98525	2.2
61.98817	3.2
67.01892	5.1
69.85280	6.2
71.01378	2.7
72.52687	1.9
74.02462	10.7
87.58550	2.0
89.02477	2.6
94.06625	10.1
96.04549	2.4
97.01637	2.2
97.39921	2.3
98.21972	2.5
99.92577	3.1
101.02470	4.4
108.04567	4.7
118.15991	2.5
119.05055	2.8
121.05339	27.6
122.06127	100.0
123.03265	5.4
124.04073	5.6
124.07661	11.2
134.06142	4.0
136.04060	9.0
136.07726	3.2
138.05594	4.7
150.05640	4.5
153.04301	9.2
166.05139	2.7
173.07202	6.0
187.01028	3.0
202.12526	3.1
206.96542	2.3
209.74387	2.2
213.06650	3.2
216.10394	2.3
226.07515	8.7
229.09769	2.6
231.11412	5.5
241.09821	39.0
242.10197	3.4
243.07695	3.0
245.12947	64.7
246.13345	4.7
250.17657	2.2
259.10916	10.0
271.10873	7.3
289.11951	51.3
290.12399	3.3
303.09790	24.3
333.11099	5.2
333.15265	6.7
333.21152	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	333.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07882	0.4
58.99603	13.4
59.01381	2.6
60.21241	0.4
61.39275	0.3
69.20393	0.8
69.20802	1.3
74.67442	0.3
74.99103	1.6
87.00886	0.5
102.98597	100.0
103.98943	1.1
113.09708	0.6
120.99652	7.6
135.04510	0.5
139.02681	0.3
139.11290	3.3
157.12430	0.4
163.00722	6.1
179.12900	0.3
203.11128	0.4
233.73462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	45.1
70.64378	3.0
81.70083	1.8
87.74130	1.8
89.12045	1.9
91.03985	2.1
111.08187	2.1
137.09692	13.8
153.09291	2.3
155.10783	100.0
156.11017	3.2
168.91438	2.4
171.10278	28.5
181.08702	3.8
199.09798	21.2
217.10802	37.5
273.13455	23.5
291.14505	84.1
292.14731	6.0
333.15546	40.7
334.15891	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	333.1706
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
53.68125	4.3
59.01374	4.4
61.98841	5.5
71.26776	4.3
71.41927	5.7
75.94906	4.9
107.05020	4.8
121.00503	5.2
150.85066	4.4
159.08168	6.5
173.91615	4.2
191.14452	5.2
217.16016	13.8
245.19150	19.8
259.20663	9.0
271.16953	9.7
271.20663	3.9
289.18143	58.5
307.44730	5.2
324.67889	4.8
333.17032	100.0
333.20721	42.4
334.17267	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	333.1709
Annotation	Gibberellin A10
Peak:m/z	Relative Intensity
54.06307	3.8
61.98811	7.4
62.26896	4.2
63.33650	4.2
77.41049	3.8
87.27856	4.1
87.39690	5.5
95.05006	9.1
104.54952	4.0
107.04970	5.0
122.24082	4.6
126.96741	4.5
159.08102	6.5
165.89439	4.2
189.12906	6.4
191.14371	7.8
245.19150	13.4
289.18106	79.0
289.21323	8.4
315.19702	8.7
333.16980	100.0
333.20712	87.0
334.17136	8.6
334.20795	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	333.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.6
59.01376	100.0
69.38477	6.0
71.01387	4.3
73.02943	1.4
85.02930	2.1
91.08375	1.1
98.22586	2.8
101.02455	4.6
161.04541	1.6
259.16931	1.8
289.18091	5.3
291.18201	6.3
333.16986	11.2
333.20746	17.7
334.17303	1.4
334.21042	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64294	0.2
56.45161	0.2
69.30050	0.7
71.01378	10.9
85.02942	1.1
98.21899	0.4
99.04512	0.4
125.99358	2.5
141.09207	0.4
152.00929	1.2
165.01686	6.2
165.42168	0.2
180.04057	0.4
181.08453	0.3
193.04779	0.9
193.08398	1.6
194.05583	0.8
195.28441	0.2
207.06352	0.3
212.02995	0.2
221.07942	1.5
222.08722	100.0
223.09100	5.2
236.10242	1.4
254.07716	2.6
303.19464	0.5
305.21152	0.3
333.20471	21.8
334.20819	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	333.207
Annotation	PGB2
Peak:m/z	Relative Intensity
59.01379	1.7
61.02711	0.5
67.48790	0.6
69.53542	0.5
71.75875	0.6
72.67237	0.6
79.95743	0.7
84.62894	0.6
85.02949	65.4
86.03286	1.1
87.43712	0.5
97.02942	2.7
98.03741	0.9
98.22656	1.4
114.83737	0.7
201.79987	0.6
268.77097	0.6
271.20581	1.7
289.21729	21.6
290.22125	2.2
315.19608	0.8
333.20697	100.0
334.21078	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	333.2069
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
53.82109	0.7
55.40671	0.8
57.03444	2.3
59.59364	0.8
69.03465	1.4
69.29919	4.2
71.04988	0.7
79.95728	2.9
81.07072	1.0
83.05029	1.4
84.02167	9.7
94.04250	2.5
95.05026	3.8
97.02942	1.6
97.06565	0.8
98.03728	4.5
107.05031	1.6
113.06100	0.9
116.11456	0.8
123.08157	1.4
124.05297	7.5
125.06087	1.4
133.17641	0.8
135.08209	1.0
139.11314	1.7
177.12830	1.3
189.12871	1.5
191.14412	2.3
221.95973	0.8
231.17555	0.9
253.19501	0.9
259.20645	3.2
261.22238	3.0
267.17560	0.9
271.17514	0.9
271.20667	18.7
272.21002	1.6
289.21713	27.8
290.22064	1.9
315.19592	9.3
316.20203	1.2
333.17325	4.8
333.20700	100.0
333.24274	3.9
334.21085	9.5
340.52802	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2072
Annotation	Sinulariolide
Peak:m/z	Relative Intensity
53.56182	0.7
59.01373	1.0
69.59170	2.6
71.01384	2.2
85.02951	6.1
91.24200	0.7
129.67157	0.8
134.82660	0.6
139.11296	2.9
193.08492	2.3
193.12227	1.0
203.14130	0.8
271.20663	2.5
285.18579	1.8
287.20120	1.2
289.21747	53.5
290.22110	5.1
291.19830	0.9
297.20731	1.2
315.19556	3.6
333.20706	100.0
334.21106	9.1
345.72906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	(-)-Cassaic acid
Peak:m/z	Relative Intensity
57.03447	7.2
69.92088	2.6
70.94444	4.4
81.07090	10.0
84.02174	3.3
97.06620	5.1
98.06287	3.1
98.48075	2.9
107.43531	2.8
109.57029	2.6
126.55833	2.8
133.72440	2.9
170.71477	3.0
177.12869	3.6
182.06975	2.9
219.13911	6.0
222.08746	38.7
222.10733	4.6
233.15483	6.9
235.17036	3.3
259.20651	8.1
271.20657	16.9
287.20151	4.2
289.21722	46.4
301.18103	5.4
315.19656	58.9
316.19864	4.7
323.84818	3.0
333.20706	100.0
333.24347	3.8
334.20999	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	333.2072
Annotation	15-deoxy-delta-12,14-PGD2
Peak:m/z	Relative Intensity
51.39499	3.3
56.26754	3.9
56.55717	3.4
64.96272	3.4
70.22115	4.9
70.22433	4.7
76.80150	3.5
81.07108	6.5
85.50875	3.6
90.73547	3.8
95.04972	4.9
96.24332	3.2
97.06607	6.0
105.66462	3.6
107.05048	4.7
116.30944	4.0
120.31691	3.9
145.23535	3.5
189.12814	4.0
255.17625	5.5
271.20685	32.5
272.21194	4.1
289.21634	15.8
300.68298	4.1
315.19684	41.9
333.17700	4.2
333.20709	100.0
334.20935	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	333.2071
Annotation	Hartwrightia acid
Peak:m/z	Relative Intensity
68.29749	0.5
70.67792	0.9
73.34729	0.5
74.27332	0.5
74.81042	0.5
85.02950	1.1
126.49102	0.6
162.61919	0.5
215.29430	0.6
226.84589	0.5
234.58971	0.6
251.20381	0.5
257.54404	0.5
270.60965	0.6
271.20569	2.9
289.21729	100.0
290.22101	10.6
291.19775	0.6
302.40021	0.5
315.19604	1.0
333.20706	50.9
334.21051	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	333.2071
Annotation	Phomactin A
Peak:m/z	Relative Intensity
57.03437	2.5
57.28073	0.9
67.71301	1.1
69.03447	5.7
70.66122	2.4
71.05020	1.7
80.64308	1.2
83.05045	1.5
85.02942	6.3
91.05512	1.3
105.07099	1.7
119.08675	2.0
135.04501	1.4
136.52745	1.1
137.06082	2.5
196.91466	1.2
201.16673	1.3
205.12390	3.5
219.13849	6.0
220.14478	1.4
231.13826	3.6
253.19810	1.3
257.19119	6.5
259.17050	6.1
273.18640	27.0
274.18939	2.7
289.18216	6.2
300.20923	2.0
301.18085	61.3
302.18399	6.2
315.19464	1.4
316.20364	4.9
333.20700	100.0
334.20972	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	333.207
Annotation	Cymbodiacetal
Peak:m/z	Relative Intensity
54.11951	0.7
56.46034	0.9
69.27674	4.2
85.02930	1.3
90.44092	0.7
95.05025	1.5
107.05034	1.1
109.06595	1.4
166.49026	0.8
191.14423	3.1
196.53328	0.8
215.14339	1.6
243.17467	1.8
253.19551	4.2
259.20612	7.3
271.20670	37.9
272.21045	3.2
289.21762	2.5
298.92972	0.7
333.20709	100.0
334.21066	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	333.2071
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
53.68973	0.8
54.74176	0.6
57.03438	1.2
57.81086	0.9
69.03455	1.6
69.62990	1.6
80.02673	0.9
82.08665	0.7
83.01403	1.0
83.04998	1.0
84.02167	48.5
85.02491	0.9
85.02942	3.8
93.03443	1.4
95.05026	2.6
97.02990	0.8
177.55652	0.8
231.17519	1.3
233.19148	1.3
245.19165	1.1
259.20593	1.9
261.22302	3.6
271.17740	1.6
271.20660	33.0
272.20984	3.1
289.21725	54.0
290.22131	5.1
333.20709	100.0
334.21021	11.9
335.52386	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2071
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
57.03445	1.1
61.31557	0.6
63.95929	0.7
68.01344	0.7
69.03445	1.6
70.67508	1.0
70.67850	0.8
73.48930	0.6
78.56856	0.6
80.02671	1.1
83.05026	2.8
83.97569	0.6
84.02165	53.6
85.02486	0.8
85.02947	8.1
89.94624	0.5
93.03465	1.0
95.05037	3.6
95.43090	0.6
99.34249	0.6
111.04479	0.7
129.51929	0.7
133.12761	0.7
231.17456	2.1
233.19093	1.7
241.15916	0.6
259.20688	1.6
261.22217	5.0
262.22531	0.8
263.12836	0.6
271.20673	39.2
272.21097	4.8
289.18280	0.7
289.21722	64.4
290.22125	7.4
333.20697	100.0
334.21005	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	333.2072
Annotation	8alphaH,ent-3eta,17-Dioxo-13Z-labden-15-oic acid
Peak:m/z	Relative Intensity
50.60972	1.8
58.00601	14.0
59.01365	2.1
61.98830	2.0
63.06117	1.6
69.03455	1.7
69.62559	6.2
79.02402	1.6
79.95715	2.1
84.02151	4.1
85.02964	13.6
93.00533	1.5
98.03742	10.5
98.21889	1.9
167.53374	1.5
168.91406	2.5
188.83179	1.6
261.22253	19.9
271.20874	3.3
273.18713	2.9
289.21725	100.0
290.22137	10.6
315.19482	2.4
333.20709	78.0
334.21066	7.3
354.06744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2078
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
57.03455	2.0
61.44803	1.6
69.62642	2.3
81.07062	1.6
83.05038	4.4
84.02164	79.8
93.03442	3.7
95.05016	4.0
107.05025	2.0
144.89847	1.7
164.37508	1.6
233.19130	3.5
243.17551	2.3
259.20752	4.7
261.22260	4.2
271.20657	61.2
272.21097	6.4
287.20209	3.6
289.21738	81.8
290.21878	8.5
295.22787	4.6
315.19595	6.5
333.20724	100.0
333.24112	4.1
334.21143	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	333.2072
Annotation	Phomactin A
Peak:m/z	Relative Intensity
61.98824	7.4
70.47344	7.0
107.05028	9.4
111.98682	7.0
168.91382	8.1
189.12938	9.4
192.95805	9.8
271.20663	36.1
287.20148	23.9
315.13928	7.4
315.19861	15.8
333.14706	11.0
333.20746	100.0
333.24371	12.0
334.20770	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	333.207
Annotation	6beta,7beta-Dihydroxykaurenoic acid
Peak:m/z	Relative Intensity
54.18344	0.9
55.01888	1.4
57.03441	1.9
61.98823	1.2
64.56895	0.9
69.03453	7.1
69.60789	1.4
69.61179	2.3
71.04997	1.2
74.21747	1.0
80.02646	1.3
83.01393	1.0
83.05029	3.2
84.02163	36.7
85.02953	4.3
85.06587	3.1
93.03511	1.0
94.04256	12.6
95.05033	10.2
97.02948	5.6
98.03738	22.9
103.84198	0.9
112.29381	1.1
113.06095	3.5
115.07665	1.1
135.45354	0.9
158.69122	1.0
217.15981	1.6
219.13947	0.9
231.17653	1.1
244.65746	1.1
249.91060	0.9
259.20511	3.4
260.89102	1.2
261.22220	6.0
271.20660	49.8
272.20999	5.1
274.19446	2.8
289.21713	91.5
290.22021	9.6
315.19550	1.7
332.25287	1.0
333.20691	100.0
334.17087	1.6
334.20938	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	333.2071
Annotation	13,14-dihydro-15-keto-PGA2
Peak:m/z	Relative Intensity
52.76311	0.3
53.88358	0.3
70.75099	0.4
85.38168	0.4
88.41779	0.4
109.02949	2.0
110.03742	3.8
113.49558	0.4
122.22590	0.4
125.02438	1.5
137.02444	2.2
138.03220	5.9
142.02708	1.0
149.75992	0.4
151.03961	0.9
166.02725	5.1
179.03482	7.1
180.04265	2.4
193.04984	3.6
198.01746	1.5
220.89484	0.4
235.09741	0.6
236.10503	1.1
275.15057	0.4
305.21240	5.7
333.20700	100.0
334.21063	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	334.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23837	0.8
57.03201	1.1
57.03449	14.5
60.15826	0.9
65.36189	0.8
65.99851	5.1
66.03485	11.8
67.01863	0.9
69.61961	2.2
69.62349	1.6
75.13111	0.9
75.68923	0.8
76.01897	1.4
77.03925	0.9
83.01381	5.6
93.03442	3.7
94.02435	1.6
94.02984	18.8
95.01403	5.5
108.79381	0.9
109.02933	2.4
117.03438	1.2
120.00916	2.4
120.02123	1.3
121.01710	7.3
121.02968	8.7
122.02462	25.2
122.03721	17.3
124.01645	1.7
125.02444	100.0
126.02818	2.8
133.02940	3.8
134.02480	1.1
137.02448	43.6
138.03282	5.5
139.04021	2.1
149.02432	6.9
150.03168	1.3
151.03989	2.0
159.04501	1.8
161.02440	37.7
162.02953	1.8
163.00354	1.0
164.01158	15.6
165.01930	59.9
166.01337	13.9
167.01950	1.0
167.03476	1.6
174.16664	0.8
175.03955	1.4
178.01396	1.3
179.03485	8.0
183.54373	0.9
185.02460	0.9
196.02553	5.0
201.05553	1.8
203.03467	1.1
219.06612	1.7
225.05556	2.2
241.04980	1.2
243.06590	1.4
269.04446	5.8
287.05585	11.8
288.06357	16.1
289.06830	1.7
334.05676	23.9
335.05771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	1.1
61.98826	1.5
71.44192	1.0
76.97028	9.5
78.16402	0.9
79.95281	1.8
79.95737	27.0
80.96494	3.8
85.02950	2.5
85.06583	1.1
94.98090	15.1
106.98067	3.0
119.97617	100.0
120.95201	1.6
120.96024	27.1
120.96896	1.3
124.00746	12.5
137.98662	2.1
138.97047	4.4
149.98668	18.0
163.96588	10.6
169.15974	7.7
219.17534	2.5
261.22202	1.6
273.22131	1.6
320.18677	0.8
333.20642	2.4
334.13214	74.4
334.16946	51.1
334.21066	10.4
335.13998	5.4
335.17627	4.7
335.22214	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	334.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56001	14.8
59.01399	81.4
61.98827	20.1
62.43071	15.7
65.00880	17.9
71.06044	18.1
73.04106	21.9
74.47589	15.1
92.69734	16.4
101.02437	15.1
119.95950	21.1
120.68717	17.5
121.75963	15.7
126.90467	19.7
130.08792	16.8
130.72232	13.2
130.91867	16.2
151.67072	15.7
156.11209	26.5
173.11769	30.0
218.11224	16.2
292.14893	34.0
334.17401	30.5
335.17252	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	334.1694
Annotation	Hydroxychloroquine
Peak:m/z	Relative Intensity
61.98820	1.1
69.03440	1.0
79.95734	19.6
80.96523	5.3
82.40514	0.8
83.05011	1.2
84.02168	2.0
85.02507	0.9
85.02965	1.4
85.06603	0.8
93.97292	0.8
94.04261	3.0
94.98114	1.7
97.02974	1.5
98.03760	4.5
99.04062	1.4
106.98096	6.5
113.06059	0.8
119.97613	6.4
120.96027	3.0
124.00743	15.2
124.01584	1.2
137.98660	2.2
138.97159	0.7
147.51277	0.7
149.98668	30.6
163.96640	1.0
169.16043	0.9
183.17410	1.1
192.96025	0.8
203.30553	0.6
257.54306	0.7
262.22614	1.2
272.20963	6.5
273.18643	1.2
275.19797	0.8
285.18567	1.9
289.21765	0.8
290.22046	13.4
317.17490	1.0
334.13293	6.6
334.16992	100.0
334.21072	16.5
335.17517	7.7
335.22192	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	334.2022
Annotation	Dendrine
Peak:m/z	Relative Intensity
69.12463	28.6
69.12869	10.7
79.95742	26.4
80.96491	5.4
81.40468	5.9
85.02937	39.6
86.03290	14.2
96.96038	7.7
121.99179	13.0
135.88499	5.6
138.02322	11.1
165.12843	8.4
174.05542	5.4
219.50905	5.2
285.02567	6.3
287.00919	6.4
290.22009	9.9
291.19644	74.9
291.23233	23.5
334.17004	50.5
334.20929	100.0
335.22092	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	6.0
58.02976	3.1
59.01376	1.4
68.01421	7.0
69.48466	5.0
70.02974	6.9
71.01382	30.4
72.01698	1.1
78.95187	1.2
85.02952	7.9
88.06103	1.2
90.56024	1.3
93.09499	1.3
96.99310	20.2
98.21921	2.1
100.04051	10.7
104.62054	1.1
112.04061	14.1
114.01987	5.2
118.02984	2.2
120.99730	1.2
129.01945	100.0
130.02208	1.7
133.02992	1.1
135.04514	4.3
144.04543	29.6
145.04880	2.3
146.02495	9.8
146.04602	4.0
156.03049	17.8
160.03983	1.9
161.02477	1.6
161.97791	1.2
169.04073	9.9
170.06114	4.8
172.04094	6.8
179.03508	5.1
187.05130	32.8
188.05556	10.4
197.07271	2.6
198.05605	7.1
200.40359	1.3
205.06210	6.2
230.08154	8.1
241.06172	28.3
273.08768	2.1
285.05051	5.7
293.03265	1.4
303.06195	1.8
317.07727	9.4
335.08569	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	335.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	6.8
58.02973	3.7
59.01377	4.4
68.01408	10.7
69.44700	5.3
69.45095	5.0
70.02975	9.0
71.01384	31.2
85.02959	10.1
96.99323	18.9
97.28922	2.2
100.04042	11.6
112.04038	13.9
114.01968	9.9
117.59603	2.3
118.03042	3.0
124.87362	2.7
129.01939	100.0
133.98204	2.4
144.04547	30.0
146.02478	10.1
146.04584	3.7
156.03047	21.9
169.04099	8.0
170.06117	4.7
171.05759	2.6
172.04086	6.8
187.05138	33.4
188.05592	12.0
197.07228	3.9
198.05569	8.1
205.06105	6.3
230.08215	6.2
241.06178	31.3
285.05142	6.9
303.05991	3.4
317.07642	11.6
335.09222	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08554	0.3
57.03455	2.2
59.01381	3.1
69.09328	1.6
69.09745	0.9
71.01377	1.8
81.03442	0.4
83.01324	0.3
83.05026	5.6
84.41576	0.3
85.02959	1.1
89.02438	0.8
91.48898	0.3
95.01372	0.6
98.22675	0.8
101.02454	0.8
109.02963	0.4
109.06607	1.8
111.08159	53.2
112.08494	2.0
113.02467	2.2
113.88185	0.3
127.20786	0.3
129.09210	2.1
135.04527	3.5
153.09274	1.7
160.90038	0.4
161.02441	0.9
173.08185	100.0
174.08533	4.5
179.03499	2.5
187.09822	1.6
187.75818	0.4
197.08174	4.4
215.09259	1.9
289.07178	0.6
301.83139	0.4
335.07529	1.0
335.13614	0.5
335.20831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1502
Annotation	CHEBI:69331
Peak:m/z	Relative Intensity
59.01380	47.8
61.98823	2.5
69.61707	4.7
69.62047	1.8
71.01410	3.3
83.05027	2.5
89.02441	3.4
101.02424	3.1
113.02459	1.7
128.03528	2.1
129.03787	1.9
175.14934	4.4
192.95789	1.5
193.16055	1.9
218.96831	1.5
293.13956	100.0
294.14151	9.2
317.14386	1.8
335.11020	3.2
335.14948	46.1
336.15244	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	335.1865
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
50.30323	0.6
51.62352	0.6
59.01383	1.1
69.03454	1.1
69.64830	2.2
71.05016	2.3
83.50220	0.7
85.02950	1.9
192.95906	0.8
227.69336	0.8
247.20668	1.4
249.15001	1.7
261.18570	3.2
273.18600	11.4
273.21680	1.3
274.18835	0.8
291.19666	27.4
292.20050	2.3
317.17624	2.3
335.18524	49.6
335.22235	100.0
336.18866	5.5
336.22592	9.4
341.29993	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1864
Annotation	Smardaesidin G
Peak:m/z	Relative Intensity
57.03447	1.2
59.01376	2.5
59.98520	7.4
69.03463	3.3
69.70044	3.0
71.01382	1.7
85.02962	3.5
98.03733	12.3
99.04517	13.3
103.30591	0.8
123.04575	0.9
135.04510	1.0
159.37920	0.9
192.16800	0.9
221.19063	1.4
242.83774	0.8
257.19058	2.6
261.22226	3.0
273.18588	100.0
274.18961	8.2
289.21713	3.3
291.19672	2.3
317.17529	3.5
317.21255	3.8
335.18561	52.3
335.22302	56.6
336.18866	6.3
336.22162	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	335.1866
Annotation	Deisobutyryl bakkenolide H
Peak:m/z	Relative Intensity
57.99030	3.0
59.01380	7.0
69.03448	4.1
69.88497	4.7
69.88849	10.9
71.01411	3.8
71.05032	4.8
73.79906	3.2
83.34200	3.3
97.06618	3.6
97.53373	3.0
98.21911	5.8
119.97601	10.7
124.00757	8.4
126.14333	3.2
126.51228	3.6
129.43341	3.6
170.88333	5.0
192.95903	6.1
194.92931	4.5
219.17575	35.3
261.22253	15.8
273.18964	7.4
273.22238	12.3
291.19647	15.2
291.22903	5.9
335.13736	6.8
335.18427	73.2
335.22290	100.0
336.18924	7.2
336.22641	11.2
353.43262	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	335.2223
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
53.76014	0.9
59.01357	1.5
59.59143	0.7
68.82870	0.8
69.76819	2.9
75.25084	0.8
83.05056	1.0
98.22576	1.4
101.23766	0.9
103.42569	0.8
110.58126	0.9
146.48192	0.9
192.95940	1.5
214.29591	0.8
239.69992	0.9
334.10443	0.9
335.22272	100.0
336.22629	12.4
344.83932	0.9
351.66733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid
Peak:m/z	Relative Intensity
51.57247	1.2
57.03435	1.6
58.00591	1.4
59.01380	16.5
69.52221	5.3
73.21577	1.2
82.95124	1.3
95.05051	1.7
97.06602	9.7
103.31514	1.3
133.10272	1.4
173.29982	1.2
192.26563	1.3
205.12410	1.6
205.54834	1.3
223.80960	1.2
225.86406	1.3
245.18896	1.3
253.19675	1.6
255.21237	2.7
261.22226	10.6
273.22266	100.0
274.22568	10.1
275.13748	1.2
289.21790	2.1
291.23218	4.8
297.06396	1.7
299.20129	2.5
308.07846	1.4
317.21271	3.9
335.22275	97.4
336.22577	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	335.2229
Annotation	Diterpenoid SP-II
Peak:m/z	Relative Intensity
55.34501	1.0
57.03442	5.0
58.00593	1.8
59.01389	8.1
61.98803	1.1
69.03449	2.7
69.55563	2.9
70.54532	1.2
71.05032	1.0
83.05025	4.3
97.06586	4.5
98.22614	1.9
127.68291	1.0
152.91798	1.2
166.77670	1.0
192.95877	1.2
215.14420	1.4
219.17610	1.9
247.20721	4.0
255.21170	1.5
259.20682	1.6
261.22223	50.0
262.22528	4.4
263.16360	1.2
273.22247	35.6
274.22543	3.1
289.21683	8.8
291.19724	81.9
291.23282	14.3
292.20001	7.5
292.23285	2.0
292.28186	1.2
317.17636	2.0
335.18790	5.4
335.22263	100.0
336.22607	9.3
336.26352	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2228
Annotation	PGB1
Peak:m/z	Relative Intensity
67.05516	0.8
67.63528	0.5
69.03445	0.8
69.59913	0.4
69.60254	1.9
71.05006	0.9
72.90733	0.4
79.05471	0.4
83.04999	0.7
85.02946	0.4
85.50380	0.4
89.16709	0.5
93.07095	0.4
99.04497	0.5
113.09703	1.0
133.10237	0.8
135.11861	0.7
219.17508	0.5
245.19182	2.8
249.14938	1.0
253.19743	0.5
255.21190	1.8
261.21890	0.5
273.18604	1.4
273.22205	3.7
275.81534	0.5
289.04599	0.5
291.19638	3.2
291.23322	1.8
303.37396	0.5
317.17807	0.6
317.21259	1.3
335.18689	8.0
335.22256	100.0
336.19000	0.9
336.22601	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	335.2228
Annotation	ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid
Peak:m/z	Relative Intensity
58.00583	2.4
59.01377	18.5
59.95296	1.4
69.03426	2.3
69.64513	6.0
91.94607	1.6
95.05036	2.4
96.65909	1.4
97.06589	9.7
129.26686	1.8
137.93451	1.5
138.20750	1.6
143.17780	1.5
165.17094	1.4
255.21246	3.6
261.22241	8.0
273.22226	90.6
274.22565	8.3
291.23218	3.4
317.21280	2.7
335.19214	4.1
335.22260	100.0
336.22614	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	335.2228
Annotation	Diterpenoid SP-II
Peak:m/z	Relative Intensity
57.03434	3.5
58.00588	3.2
59.01382	15.3
69.03457	3.9
69.50307	5.0
83.05041	1.4
85.02975	1.1
95.05025	1.5
97.06594	3.8
117.90167	1.3
133.84888	1.1
218.84720	1.1
219.17514	1.3
255.21400	1.8
259.20724	2.3
261.22223	67.4
262.22482	6.7
269.18015	1.1
273.22244	58.7
274.22610	5.6
275.66861	1.2
289.21771	10.7
291.20132	2.5
291.23245	22.7
292.23892	2.3
299.65234	1.3
335.22275	100.0
336.22659	12.3
348.43378	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2227
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
54.68723	0.5
57.03442	1.7
58.00579	0.8
59.01386	3.1
59.04929	0.4
64.62527	0.5
69.03448	2.1
70.78457	0.9
72.73524	0.5
85.02936	0.8
97.06565	0.6
162.23553	0.5
247.20616	2.1
253.54060	0.5
261.22220	11.3
262.22540	0.9
273.22260	3.7
289.21689	1.7
291.19684	1.6
291.23215	1.0
302.44354	0.6
335.22272	100.0
336.22604	10.8
351.83099	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2229
Annotation	11-deoxy-PGE2
Peak:m/z	Relative Intensity
57.03465	0.5
59.01360	0.4
67.53685	0.3
71.01388	0.6
72.99328	0.6
73.02958	0.4
74.63481	0.3
84.02164	0.8
90.71802	0.4
102.58064	0.4
160.43468	0.3
177.12846	0.6
186.09845	0.3
191.14453	0.4
218.58636	0.4
239.12926	1.3
242.03439	0.4
253.14444	0.7
257.19238	0.4
259.20657	3.9
271.20724	1.1
273.18719	0.6
273.22299	1.1
286.81396	0.4
287.20233	0.9
289.21735	5.4
290.22037	0.7
335.22287	100.0
336.22626	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	335.2228
Annotation	ent-3beta,7beta-Dihydroxy-8(17),13-labdadiene-15-oic acid
Peak:m/z	Relative Intensity
55.01084	2.1
57.33509	1.9
59.01382	13.2
61.98825	2.7
62.54300	2.1
64.91337	2.0
68.60130	2.1
71.44239	2.2
72.39886	2.1
72.55543	2.3
73.28110	2.1
83.08302	2.0
84.02129	2.5
87.05092	1.8
93.46231	2.0
95.05025	2.4
97.06586	5.4
104.18555	2.3
135.78072	2.6
192.95810	2.7
255.21129	2.7
261.22177	9.1
273.22260	69.4
274.22607	7.3
291.23404	2.8
305.17593	2.9
317.21225	5.1
335.18970	3.6
335.22278	100.0
336.22681	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	336.226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
65.73931	1.4
69.43072	7.8
109.23702	1.4
154.46266	1.7
235.34256	1.5
248.20882	2.8
258.19403	1.7
262.22592	9.0
274.22562	4.4
291.19699	1.5
292.20081	5.6
298.55664	1.6
322.99606	1.9
336.22601	100.0
337.23392	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	336.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.5
61.98829	4.9
63.56099	2.8
67.41820	3.1
71.05491	3.9
78.77567	3.4
113.05682	2.9
119.97649	7.8
133.43381	3.2
137.98688	3.9
262.10370	3.1
274.22507	4.0
336.15067	5.1
336.19003	6.3
336.22629	100.0
337.16464	5.3
337.23224	10.5
352.66415	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82562	11.6
59.01380	100.0
60.72977	10.9
69.59570	41.7
78.95918	66.8
92.20768	12.8
93.03478	28.9
98.22684	14.7
101.02438	11.4
124.26527	12.0
136.94006	21.1
137.02458	59.2
139.04045	36.8
141.01752	21.9
155.47237	11.9
156.91357	13.8
178.96214	21.3
178.97809	16.4
192.95840	38.9
194.92845	14.2
194.95558	51.5
203.05368	12.9
208.93767	17.9
211.01094	16.5
250.94940	23.6
252.92789	17.6
254.99757	14.7
294.93906	52.4
301.09418	16.3
336.94592	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	337.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86421	0.4
57.89233	0.4
59.01382	1.4
63.96239	1.1
64.97024	0.5
69.36578	1.6
71.22507	0.4
73.26583	0.4
76.52168	0.3
79.95737	23.8
80.96517	9.9
81.03474	1.6
81.23442	0.4
83.05085	0.5
88.97032	6.7
94.98089	1.5
99.04516	1.2
103.44341	0.4
113.02400	0.4
113.54399	0.4
118.24284	0.4
127.04023	1.1
138.48579	0.3
161.99916	0.7
163.00758	1.1
177.02249	3.5
188.98735	0.7
189.99490	0.7
191.00241	1.0
221.01247	100.0
222.01584	4.0
233.04819	0.5
273.39658	0.4
337.09595	19.4
338.10016	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	337.108
Annotation	(-)-Glyceollin I
Peak:m/z	Relative Intensity
58.27268	1.9
58.47866	2.0
59.01363	7.6
69.13637	4.5
69.14044	10.6
69.38157	2.3
70.05785	2.0
98.21781	3.9
139.73842	2.0
177.05499	3.6
207.08012	3.4
223.07571	3.3
235.07672	12.7
237.05522	3.7
251.07108	11.4
263.07077	4.6
266.09592	6.2
279.06622	87.1
280.06918	8.8
291.06671	34.0
292.07407	10.8
294.08914	9.7
305.08200	5.7
306.09003	26.7
307.06134	100.0
307.09424	4.6
308.06491	8.0
321.07635	7.6
322.08487	53.8
323.08643	5.5
337.10818	62.4
337.16583	4.9
338.11234	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	337.1292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.9
59.01355	3.7
65.99819	2.2
67.01886	13.8
70.49039	1.4
70.49381	1.3
83.05022	36.1
84.05369	1.2
85.02948	89.0
86.03296	2.0
87.00866	20.5
93.03423	2.7
96.96000	1.8
98.21979	1.5
109.06592	5.3
111.04519	100.0
111.56929	1.3
112.04841	2.8
112.98817	10.2
119.05002	1.4
133.02945	2.9
145.05029	1.8
147.04492	3.0
161.02379	3.1
162.01816	1.3
163.04007	2.5
163.07632	5.6
174.29997	1.2
177.01945	3.6
189.09198	10.8
189.72293	1.3
191.07138	66.7
192.07379	3.3
205.77991	1.3
217.01413	5.9
224.02020	4.2
249.11203	1.9
249.98491	1.2
257.11832	27.6
258.12024	2.8
273.91089	1.3
275.12875	9.4
277.87329	1.3
338.01547	1.9
341.46954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.7
58.72409	1.6
59.01378	95.8
60.67515	1.6
70.49060	3.5
71.01378	39.9
72.99276	1.9
78.81718	1.5
80.08783	1.4
80.62611	1.5
83.01379	3.5
84.00026	1.5
85.02982	8.1
85.33806	1.6
89.02441	47.5
95.01379	3.9
101.02455	25.7
112.98761	1.9
113.02435	15.5
119.03502	21.3
131.03458	2.1
133.02965	2.5
143.03505	3.0
149.04515	1.8
149.06108	2.9
174.01695	1.5
179.05641	2.0
217.63266	1.8
337.15054	100.0
338.15378	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	337.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59693	3.5
56.64621	4.1
58.38493	3.7
59.01380	100.0
61.98824	4.3
68.66033	5.0
71.01385	34.4
71.07883	4.9
85.02970	6.6
89.02448	30.2
91.89793	3.9
101.02458	22.0
104.90738	3.7
106.50623	4.0
113.02447	13.2
119.03512	16.9
124.51790	4.0
145.88034	4.0
192.95906	4.0
217.61220	4.3
217.78575	4.0
267.27649	3.8
337.15048	79.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75915	0.5
52.22922	0.4
58.77035	0.4
59.01381	100.0
60.01715	1.1
71.01394	0.7
71.43049	0.5
74.50038	0.5
78.26936	0.4
79.80722	0.5
108.05727	0.5
109.02952	5.3
112.03982	0.4
119.05064	1.8
125.91673	0.5
136.07678	0.6
138.05637	0.7
161.02449	0.7
163.04070	1.6
185.07266	1.3
227.08234	2.7
292.20685	0.4
295.10944	2.8
295.61298	0.5
337.11819	5.1
338.12491	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75186	1.1
54.61221	0.8
55.50949	0.9
59.01380	100.0
61.98816	0.8
69.03456	1.4
70.89011	1.1
87.00868	1.1
93.03457	5.2
111.04533	1.3
119.05035	3.8
121.02915	1.6
125.02444	1.5
136.05461	0.8
151.00383	0.9
163.04031	2.5
173.04553	14.3
174.04639	0.9
185.16576	1.1
191.05640	11.9
226.55461	0.9
236.77597	0.9
271.10776	0.9
323.23224	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1656
Annotation	2'-Hydroxyzearalanol
Peak:m/z	Relative Intensity
51.33173	2.9
57.03434	3.2
59.01372	6.7
59.18998	2.6
69.65741	7.1
71.01365	3.9
80.02670	7.6
81.03465	4.1
83.05016	3.3
93.07069	4.6
93.73758	2.4
96.96008	5.5
97.02940	3.5
98.22555	5.8
103.66941	2.3
107.05032	18.9
108.02169	4.8
109.05881	4.6
109.06596	53.1
111.04553	4.0
121.06622	2.8
123.04525	2.6
123.08143	4.6
125.09721	22.2
134.03729	4.4
135.04573	4.4
137.06091	11.7
137.09708	4.1
138.03214	3.8
139.11276	2.6
139.19203	2.7
149.06041	5.2
153.05569	16.4
165.05536	7.6
167.07140	21.7
171.10237	6.8
176.04837	5.7
187.09724	17.5
194.95624	3.0
199.09689	2.8
201.11342	41.9
222.51314	2.7
235.07552	3.3
249.15033	2.9
283.13409	7.1
291.15833	3.5
301.14462	21.0
319.15530	100.0
320.15686	9.3
337.16644	36.1
337.20309	3.5
338.17108	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1938
Annotation	Kopsiyunnanine C1
Peak:m/z	Relative Intensity
59.89352	25.3
69.49297	62.4
69.49685	62.4
71.90402	25.3
88.52596	29.1
94.93580	29.4
96.95996	78.0
98.22588	58.1
220.75653	29.8
293.17584	71.5
337.16245	46.5
337.20062	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	337.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	11.1
59.01375	7.2
61.05416	4.3
61.98832	5.1
65.33827	4.2
67.01891	22.9
71.05025	67.7
78.39424	4.3
79.05526	8.4
81.03458	33.1
83.05031	5.8
95.05022	11.6
96.96004	4.0
97.02938	7.0
97.06579	43.8
106.04241	8.2
109.06573	7.9
111.04521	7.9
125.09735	100.0
133.06558	4.9
135.08163	78.8
136.05305	16.3
136.08524	4.3
137.06071	57.6
138.06514	4.5
151.07625	31.7
151.11337	4.7
153.09178	6.6
163.94254	3.9
167.10742	6.3
171.10283	7.8
179.07089	5.3
185.11798	31.8
193.12361	8.3
199.13361	8.1
205.15941	4.4
211.13362	4.5
225.14897	14.2
249.14949	27.0
250.11960	8.3
263.16498	11.3
265.14456	31.7
279.15823	4.6
305.17612	47.9
306.17859	4.9
309.20688	6.3
319.19159	11.3
337.16541	7.4
337.20264	39.2
337.24316	6.5
338.10471	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2021
Annotation	Cytosporin D
Peak:m/z	Relative Intensity
57.03429	1.4
58.00602	3.8
58.77077	1.2
59.01369	2.3
60.68403	1.3
61.98830	2.6
66.79979	1.1
69.59095	4.1
83.91009	1.2
85.02944	6.4
87.04542	1.9
137.49646	1.3
143.12413	1.2
162.46146	1.1
213.16766	1.2
229.15967	1.5
231.17511	2.4
233.19133	14.2
243.17339	1.7
245.19098	3.5
261.18655	4.7
263.20151	100.0
264.20505	6.9
275.19983	3.3
277.18143	2.1
293.21164	3.6
307.19144	68.1
308.19427	7.6
318.90320	1.2
319.19125	5.0
337.20145	32.5
337.23642	2.3
338.20535	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	337.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73970	39.3
59.01380	91.1
62.20304	46.0
67.25935	44.5
68.98988	41.4
93.13154	41.6
112.72928	43.8
123.00057	43.9
308.85016	46.5
337.23834	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	337.2384
Annotation	2alpha,3alpha-Dihydroxycativic acid
Peak:m/z	Relative Intensity
52.28752	0.7
57.03447	20.9
58.40742	0.7
59.01373	1.6
61.98817	1.8
68.87917	0.8
69.03458	4.6
87.04474	0.8
98.21841	1.5
151.07571	0.7
166.01073	0.8
178.12349	0.9
221.48991	0.7
222.11386	1.1
224.12961	2.4
231.17435	0.8
247.20662	37.2
248.21002	4.3
250.18712	1.2
291.19592	1.2
293.24881	12.6
294.17990	1.8
294.25217	1.2
319.18881	1.0
337.23822	100.0
338.24164	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.7
59.01355	3.8
61.98819	3.6
69.68459	7.9
72.99301	8.5
84.02169	2.2
84.22496	1.8
87.28702	1.8
91.03358	1.8
95.05004	2.2
97.06588	15.3
98.15483	1.8
99.63580	1.9
107.05048	31.4
125.06092	24.3
150.05579	2.6
151.06393	6.4
167.10757	3.5
171.10208	5.3
177.09189	2.0
192.10318	9.7
194.11864	100.0
195.12155	6.2
196.13412	11.4
222.11366	2.8
224.12877	7.6
240.65259	1.9
251.11548	5.1
302.17667	6.5
320.18686	5.4
338.19659	8.4
338.23428	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	338.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01350	10.2
59.73822	5.1
61.98815	10.8
66.03488	5.7
71.02824	5.6
71.05011	16.0
90.77774	6.1
94.06628	23.1
95.05026	8.7
97.06640	7.6
105.07109	14.4
107.03774	23.7
109.06582	27.1
111.04514	10.9
125.09727	38.0
132.08185	9.5
136.19792	6.2
137.06046	18.8
139.11308	9.8
148.07738	34.9
150.09201	13.3
155.10732	8.1
171.10262	100.0
185.11865	9.2
195.62679	6.2
207.10139	6.6
258.18555	7.8
259.17001	16.4
284.16440	15.6
302.17593	30.3
303.15930	24.1
321.13589	8.6
321.17075	68.4
339.18066	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	338.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23724	5.4
55.51845	5.7
57.03444	13.2
61.98819	16.3
69.03450	8.1
70.19234	8.6
70.19554	10.8
77.26858	5.6
82.02998	7.3
96.04543	19.9
98.22038	6.7
102.10256	5.4
107.03774	6.9
137.26834	5.4
150.12717	5.8
151.07675	14.6
168.10301	12.1
170.88377	7.5
178.12357	17.1
195.93243	7.8
196.13414	9.5
208.13397	9.5
222.11382	44.5
224.12923	76.1
240.12251	11.1
248.20995	30.7
277.21609	6.7
284.16650	9.4
302.17606	23.3
309.12686	6.0
321.20724	10.5
338.20282	12.7
338.24106	100.0
339.21500	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	1.7
59.01386	2.2
60.01722	0.4
69.84402	0.8
81.03513	0.3
83.05054	0.3
88.50603	0.2
90.16830	0.2
95.04998	0.3
97.06578	0.9
106.86949	0.2
109.06631	0.2
128.10822	8.8
129.11137	0.4
130.08740	100.0
131.09106	3.0
147.08154	0.2
148.04034	0.5
151.11308	0.4
168.86909	0.2
172.09814	0.9
174.92149	0.3
266.39288	0.3
274.10501	0.2
338.19733	41.5
339.20068	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	339.0722
Annotation	AESCULIN
Peak:m/z	Relative Intensity
59.01373	0.8
70.98003	0.3
81.03476	0.5
89.03970	1.6
97.57636	0.3
104.02689	0.5
105.03465	3.5
117.65739	0.3
125.87338	0.5
133.02968	7.5
134.03284	0.3
137.83011	0.2
142.87611	0.5
148.01683	0.5
149.02438	0.6
176.01173	1.1
177.01938	100.0
178.02274	5.0
214.98909	0.3
267.94284	0.4
270.74896	0.2
303.92059	0.5
339.07196	10.0
340.07535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	24.3
61.98816	6.5
70.11074	7.5
81.43743	2.7
125.87334	82.5
128.66820	3.2
134.04730	100.0
142.87608	6.2
157.86317	23.5
165.11880	3.2
177.01976	8.3
182.32246	3.6
267.94220	4.8
269.08832	3.2
279.14508	3.9
303.92102	5.7
304.00302	5.1
339.11752	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	339.1083
Annotation	Juglanoside C
Peak:m/z	Relative Intensity
59.01365	0.4
59.70401	0.1
67.96944	0.2
69.03448	0.8
70.13500	0.5
83.05011	0.8
87.00866	0.4
93.03471	0.4
107.05036	1.1
109.06593	0.3
115.00362	0.7
121.02948	0.2
127.71394	0.1
131.04602	0.1
133.01443	0.9
133.02971	0.6
133.06557	0.3
134.03740	2.7
135.04532	4.8
136.04846	0.2
137.02414	0.4
145.02968	0.2
148.05322	0.2
149.06084	1.8
154.81715	0.1
159.04529	0.9
161.02412	0.9
162.03229	1.0
175.07610	0.3
176.04782	1.0
177.05568	100.0
178.05905	5.2
179.03477	0.2
180.60497	0.2
193.08659	1.8
200.54433	0.2
213.55594	0.2
277.14526	0.2
311.61115	0.2
314.55313	0.2
339.04980	1.1
339.10843	8.5
340.11273	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62800	0.5
53.83867	0.4
59.01376	4.1
63.96233	0.8
64.97020	1.0
67.74464	0.4
69.55918	1.1
79.95734	22.7
80.96025	0.6
80.96509	9.9
81.03453	1.5
88.97031	6.3
92.33893	0.4
92.83221	0.5
94.80100	0.4
94.98093	2.5
98.22604	0.5
99.04523	0.9
127.04006	0.7
129.54637	0.6
136.07663	0.6
140.07243	0.6
160.99156	0.5
161.99976	0.7
163.00728	1.5
177.02292	4.1
188.98685	0.5
191.00188	1.5
193.09276	0.5
197.00998	0.5
201.00681	0.7
221.01234	100.0
222.01517	3.9
229.00201	0.6
307.03732	0.6
339.11136	23.7
340.11475	1.6
340.18616	0.5
344.10684	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1231
Annotation	Obovaten
Peak:m/z	Relative Intensity
59.01404	1.2
62.40828	0.6
70.90706	0.8
78.95926	1.2
86.96780	0.6
96.97006	0.8
99.93918	0.7
139.72720	0.7
145.02975	3.5
152.99643	1.8
163.04097	1.3
179.07202	0.7
191.08612	1.8
195.08302	0.9
204.05907	0.8
206.07372	0.7
207.08224	2.8
209.06081	0.8
217.06673	2.1
218.07343	1.2
219.08176	2.3
220.05264	0.8
221.06168	2.2
223.07658	1.3
224.08746	1.0
225.05600	0.9
225.09334	2.1
233.06149	1.5
234.06924	2.2
235.07677	6.2
236.08229	1.0
237.09241	1.7
239.07236	2.2
245.06073	2.2
246.06886	2.3
247.07692	2.3
251.07234	1.2
252.07892	0.7
253.04848	0.9
253.08722	5.7
257.06210	0.8
261.05664	0.9
262.06317	1.7
263.07126	20.2
263.09866	1.2
264.07706	2.9
265.08664	1.4
267.94586	0.8
268.11057	2.6
273.05804	0.9
274.06314	1.9
275.07120	2.3
276.07813	1.1
279.06464	1.7
280.07465	2.7
281.08197	32.4
282.08548	3.5
291.06638	7.1
292.07419	3.6
293.08185	6.3
294.08875	3.3
295.09726	1.4
296.10626	3.7
306.09018	1.0
307.09818	2.8
308.07077	1.4
308.10553	6.5
309.07703	100.0
309.10846	3.8
310.08133	8.3
323.09247	12.1
324.10016	71.2
325.10312	5.9
339.12357	67.3
339.18292	1.0
340.12680	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	339.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97999	1.1
58.99581	3.3
59.01359	3.5
86.25260	1.3
87.99899	1.7
95.04993	1.2
97.06572	1.4
106.04226	1.5
107.08685	1.9
115.36963	1.1
125.09702	2.2
126.98631	2.9
135.08160	8.0
137.09703	2.0
148.66281	1.1
151.11256	1.3
153.09187	3.4
157.06917	27.8
163.11211	2.0
164.08400	1.6
169.12402	2.8
171.10208	5.5
177.09216	2.5
179.29802	1.3
189.09203	1.6
196.05673	1.7
200.22647	1.1
207.13907	3.3
210.07237	7.9
223.07935	5.6
229.94221	1.1
243.17520	1.2
261.18585	2.9
277.16217	1.7
277.45236	1.2
287.16559	3.3
293.15683	1.1
305.17746	5.5
314.94940	1.3
321.15283	13.8
322.15433	2.2
339.16333	100.0
339.21564	7.1
340.16650	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	339.166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01728	0.8
61.98848	0.6
69.53504	1.6
71.01381	2.1
73.02955	0.5
74.53078	0.3
83.01398	0.5
85.02977	1.7
101.02458	2.8
102.05605	0.4
106.38852	0.4
110.32822	0.4
110.57813	0.4
113.02490	1.1
161.04593	1.6
163.04082	0.5
177.01953	0.4
177.05606	0.4
205.26889	0.5
279.14420	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	339.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	5.2
59.01377	9.7
69.03456	11.8
70.89846	3.4
71.05013	15.1
81.03452	49.1
83.05030	24.8
85.02953	8.5
93.03446	6.1
95.05033	11.9
97.02939	13.0
97.06590	8.9
97.50249	2.4
98.03726	3.6
99.04519	78.1
104.22239	2.6
106.04238	3.0
107.05055	4.3
108.02174	9.3
109.02989	6.0
109.06580	12.8
111.04535	8.3
121.02979	18.5
121.06592	8.0
122.03749	19.1
123.04530	10.3
123.08217	4.8
125.06046	3.8
125.09729	7.5
127.11290	3.3
133.06602	5.6
134.03716	2.9
135.04541	6.7
136.05307	3.8
137.06071	21.8
137.37253	3.1
139.07619	3.1
139.11305	3.6
149.06068	22.4
151.07654	5.4
155.10774	5.3
155.87230	2.9
160.05307	3.6
167.07117	13.7
167.10698	6.1
171.10257	63.9
172.10603	4.9
177.12831	6.6
178.06346	19.7
185.11798	3.8
191.14464	7.8
193.12346	24.3
195.14090	3.4
199.09721	17.9
199.13385	12.8
201.11322	3.5
203.10695	4.5
205.12384	5.4
207.13881	3.9
209.11789	4.1
211.13312	3.7
213.11330	7.7
231.10268	3.2
235.13374	56.3
236.13634	4.0
247.13466	6.7
249.11288	14.5
250.12044	15.8
253.14453	100.0
254.14763	6.9
259.16846	3.4
263.12921	4.9
265.14493	9.5
277.18112	3.0
285.14941	13.2
288.68765	2.7
302.60419	2.7
303.16031	32.8
304.16443	3.2
321.17032	61.6
322.17545	3.2
339.18015	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	4.3
59.01378	6.7
61.98826	4.0
69.56876	10.0
69.57276	5.7
71.05012	36.5
81.03448	15.3
83.05016	5.7
87.49759	4.4
93.03476	4.4
95.05012	20.5
97.02951	6.4
97.06595	10.9
103.95650	4.1
109.06577	6.5
111.04512	7.9
121.02961	3.5
121.06575	4.2
122.03748	5.5
123.04516	6.1
123.08154	22.2
125.05977	4.8
125.09717	67.1
133.06580	4.9
137.06059	3.9
146.34390	3.3
149.06142	4.0
151.07660	41.5
167.07065	6.5
169.08716	5.1
171.10226	16.1
174.06845	5.1
185.11940	3.7
199.13368	3.9
201.11342	9.2
205.12279	5.1
209.11774	5.5
213.11258	8.7
221.11948	5.0
249.11293	14.0
251.12869	5.7
263.12827	3.8
265.14410	15.0
267.13553	3.6
277.17908	6.9
285.14981	40.7
303.16016	100.0
304.16370	11.6
321.17081	51.6
322.17416	5.0
339.18112	14.4
339.21826	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92875	2.1
57.03435	9.8
59.01374	9.6
59.74160	2.0
69.03465	5.1
69.11083	13.2
71.01394	4.5
71.05019	42.5
73.02935	4.0
81.03451	25.5
83.01401	2.3
83.05014	7.4
93.03458	5.2
94.75475	2.1
95.05031	24.4
97.02987	3.7
97.06586	11.6
105.15025	2.4
107.05021	2.4
108.02160	6.0
109.02967	4.3
109.06615	12.4
110.03726	10.9
111.04523	34.2
111.08128	2.8
121.03043	3.2
121.06610	11.1
122.03676	5.1
123.04520	5.4
123.08176	31.5
125.06078	4.9
125.09730	74.8
126.10070	4.5
127.11282	4.8
130.25069	2.3
133.06578	9.8
137.06087	17.2
139.07686	6.0
149.06062	11.5
151.07657	38.8
153.00142	3.5
155.10741	2.8
157.45854	3.1
166.06142	2.4
167.07135	58.4
168.07462	3.0
169.12152	2.5
171.10277	38.0
174.06906	4.7
177.05559	2.5
181.12495	2.5
183.03606	7.9
185.11884	3.6
187.09756	6.3
187.89517	2.2
197.11804	5.1
199.09789	4.1
199.13530	4.2
201.11307	26.5
205.12280	4.5
209.11816	5.9
213.11269	17.3
215.12875	100.0
216.13335	3.8
225.11357	3.2
227.12897	3.8
229.10750	6.9
249.11298	17.6
259.17068	3.2
265.14484	16.6
277.18054	3.9
285.14993	42.0
293.17636	3.6
295.19312	3.3
303.16022	97.5
304.16302	11.1
321.17099	53.4
322.17377	5.1
339.18179	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	339.1812
Annotation	Pentamidine
Peak:m/z	Relative Intensity
54.01104	0.6
70.08057	1.2
78.01104	19.9
80.02660	1.2
81.03426	0.5
83.05024	1.1
98.21951	0.5
110.00098	1.1
111.00859	1.4
117.48727	0.5
118.46277	0.4
122.86971	0.5
124.98855	0.6
130.10435	0.5
137.99590	1.1
139.00359	0.9
172.83351	0.5
174.74554	0.5
179.18045	4.4
193.15981	2.2
195.17526	44.7
196.17856	3.3
217.16031	0.6
219.17534	74.8
220.17880	5.6
226.36633	0.5
251.16507	23.5
252.16916	2.2
254.14851	0.6
257.94016	0.5
272.48923	0.5
279.16052	5.5
280.16714	0.6
297.17026	7.2
307.15601	1.2
311.18616	1.0
339.18106	100.0
340.18396	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	339.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	3.4
69.13598	18.4
81.28156	2.9
98.21770	5.5
107.08695	4.4
137.09740	4.6
139.11324	4.8
153.09251	2.9
158.45622	2.7
195.08472	8.0
199.13470	5.1
211.13310	3.4
241.09111	2.9
267.10519	3.2
291.19656	32.6
293.21194	23.8
305.21378	3.0
313.92023	3.3
324.14264	2.9
324.17609	17.6
339.19992	100.0
340.20422	10.7
364.45651	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	339.2175
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
57.03437	10.6
59.01366	4.5
65.03970	8.8
67.01894	9.1
69.03455	7.9
69.39376	14.3
71.05022	100.0
73.02972	4.3
79.05514	11.7
81.03462	14.1
83.05032	11.0
93.03463	5.3
93.07090	6.4
95.05029	11.8
97.06607	37.2
100.61006	4.6
107.04991	8.3
109.02929	9.0
109.06609	26.4
110.03722	6.4
111.04538	39.8
111.08205	6.0
119.08753	4.3
121.06607	16.5
122.16187	3.8
123.04492	4.0
123.08160	13.7
125.09734	40.4
127.07621	5.8
135.08163	14.5
136.05295	5.7
137.06085	17.5
137.09738	7.1
139.11299	4.7
149.06116	5.9
149.09740	5.3
151.07610	5.9
151.11287	5.9
152.08430	30.6
153.09193	16.3
159.11815	6.2
163.11259	4.4
167.10771	7.6
171.10275	90.5
177.12851	22.6
181.08710	9.0
185.11804	16.5
199.13469	8.9
209.11832	6.6
211.13457	6.2
219.17307	4.4
221.11809	4.5
225.14995	6.0
233.15451	8.8
235.13312	10.2
249.14946	14.4
249.98923	4.2
259.17023	4.2
265.18121	6.3
271.17059	6.6
279.15842	6.4
281.17545	7.6
285.14868	5.0
289.18079	30.2
292.16757	6.3
299.07065	4.3
303.15915	14.7
303.19492	9.3
321.16968	52.1
321.20688	68.5
322.17438	4.5
322.20935	7.0
339.18155	9.0
339.21774	96.8
340.21954	13.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	9.7
59.01389	9.3
61.98816	6.2
67.01895	14.0
69.03457	22.3
69.61163	10.4
69.61483	13.5
70.33174	6.0
71.05014	100.0
81.03448	10.8
83.05029	7.8
93.03449	11.7
93.07133	10.7
95.05041	15.3
97.06603	48.8
99.04476	7.3
103.53849	7.0
109.02998	9.8
109.06585	22.6
110.03776	9.9
111.04522	69.8
111.08188	9.8
121.06613	23.6
123.04564	9.5
123.08205	15.9
125.09724	86.9
135.08195	19.8
137.06082	10.2
137.09737	20.3
149.06105	19.3
151.07674	7.8
151.11382	7.4
153.09181	15.9
159.77599	6.6
163.11316	9.6
164.08366	11.4
167.10849	6.3
171.10275	52.0
175.11201	8.6
177.12845	42.9
185.11800	15.3
199.13351	8.3
207.10263	11.8
211.13499	9.8
233.15475	11.8
235.13422	9.7
239.12836	20.0
245.19122	9.9
249.14931	20.4
254.85641	10.4
281.17569	10.3
289.17926	35.9
303.16150	14.7
303.19580	15.0
303.92377	8.5
321.17001	22.2
321.20712	70.6
339.05231	15.8
339.18088	13.3
339.21741	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2327
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
69.71120	0.9
90.46538	0.2
98.21912	0.4
102.08971	0.3
142.47374	0.2
163.11287	100.0
164.11621	3.8
248.80875	0.3
339.23279	36.0
340.23700	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	339.2328
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
70.08008	0.9
71.20731	0.9
112.08920	1.0
113.63123	0.9
163.11292	100.0
164.11659	4.8
183.01222	7.1
197.02859	1.1
230.41576	0.9
280.29739	0.9
339.19821	14.7
339.23264	56.7
340.20102	2.1
340.23657	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	341.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
71.31873	0.6
71.44962	0.6
72.46938	0.4
107.05019	0.7
113.00791	0.5
133.02960	11.1
134.03810	2.5
135.04529	90.4
136.04848	3.4
161.02449	33.8
162.02795	1.0
164.74078	0.5
168.30692	0.5
179.03506	100.0
180.03842	4.5
195.07288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	3.4
69.13528	2.7
69.81544	0.6
71.01372	2.0
83.01395	0.8
89.02454	2.0
101.02502	0.6
107.05028	1.3
109.02950	0.6
111.06982	0.6
114.05568	0.8
119.05058	0.7
122.20089	0.7
133.02954	9.4
134.03760	3.5
135.04526	97.7
136.04849	4.3
151.00430	0.8
151.04060	0.9
153.01936	9.8
161.02441	30.0
162.02773	0.9
179.03494	100.0
180.03850	4.7
222.79953	0.6
253.44887	0.6
270.46924	0.6
341.08932	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.27642	0.7
61.98821	1.3
63.63503	0.8
70.74504	1.1
71.01378	6.8
73.02946	2.0
80.91109	1.0
88.04041	4.4
89.02433	2.9
98.02502	0.8
101.02450	1.1
102.98582	0.9
110.02478	6.0
111.00899	2.2
113.20164	0.8
114.82358	0.9
115.00378	3.1
116.05052	2.3
118.98118	3.9
120.00668	1.7
128.05116	2.7
129.01964	1.2
131.03751	7.2
132.03094	9.5
132.04553	48.4
133.01448	2.7
133.03275	2.9
134.03590	0.9
135.04518	7.7
136.98581	2.5
144.04555	44.9
145.04941	2.8
146.06122	49.7
147.06509	1.8
161.02469	3.2
161.87621	0.9
162.05611	2.8
162.63409	1.0
163.99683	3.5
171.05687	4.7
172.04005	6.7
174.05659	1.3
179.03522	7.1
179.05026	0.9
179.05719	1.1
184.03801	3.5
188.05807	1.3
189.06693	20.9
189.08270	1.7
190.07156	1.0
198.08003	1.6
211.04878	100.0
212.05209	4.9
237.06458	9.1
263.04303	1.0
263.90720	1.3
265.05933	43.7
266.06296	3.3
267.03601	1.4
283.06097	1.5
309.04926	51.6
310.05362	4.1
323.05676	1.8
341.07510	30.7
341.14175	1.8
342.07663	2.7
343.15259	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	341.0876
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
51.13882	0.4
51.55332	0.4
55.34752	0.3
59.01381	1.9
69.52997	1.2
69.53403	0.8
71.01391	1.0
72.51907	0.3
80.58223	0.3
81.45533	0.4
85.97725	0.4
89.02448	0.6
90.28603	0.3
107.05023	1.1
118.98071	0.4
119.05036	0.6
123.97397	0.3
133.02954	1.4
134.03735	3.9
135.04527	100.0
136.04845	4.3
145.99825	0.3
154.16660	0.5
161.02435	3.8
178.02762	0.5
179.03497	96.6
180.03833	4.2
203.91338	0.4
230.89433	0.3
299.77786	0.4
341.08752	12.1
342.09323	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0875
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
57.36967	0.3
59.01373	1.1
67.66012	0.3
70.05479	0.5
70.05836	0.6
71.01376	0.4
75.83790	0.3
87.39075	0.3
89.02457	0.5
91.05562	0.4
93.11258	0.3
101.02435	0.3
106.04243	0.3
107.05022	1.3
133.02986	1.3
134.03734	3.4
135.04523	95.1
136.04849	3.7
151.00374	0.5
151.97581	0.3
153.01938	1.1
161.02419	3.1
178.02727	0.8
178.04289	0.3
179.03490	100.0
180.03838	4.5
251.05470	0.4
255.42046	0.3
293.64276	0.3
294.95978	0.3
316.81543	0.4
341.08740	13.5
342.09048	1.5
345.95825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0877
Annotation	Chaenorrhinoside
Peak:m/z	Relative Intensity
51.42115	0.2
59.01374	1.5
61.57730	0.2
64.36604	0.2
66.90457	0.2
69.22413	1.4
69.57591	0.2
71.01380	0.7
71.55161	0.2
89.02451	0.9
91.05550	0.3
96.49612	0.2
98.22667	0.4
106.66283	0.3
107.05001	0.7
119.03520	0.4
133.02963	3.7
134.03783	1.9
135.04524	81.5
136.04858	3.8
141.00816	0.3
153.01927	0.9
161.02438	14.5
162.02728	0.6
179.03491	100.0
180.03831	5.1
247.98395	0.3
341.08774	1.0
354.76398	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	7.2
63.69091	0.7
69.10900	0.8
70.91742	1.1
71.01373	3.6
78.95902	100.0
89.02442	6.6
90.08227	0.7
96.96969	6.2
97.74870	0.7
101.02420	1.8
113.02433	1.3
119.03517	1.7
125.09727	3.1
125.87320	0.9
127.86987	1.1
150.97993	2.6
152.99582	85.4
153.99934	1.0
168.42938	0.9
171.00633	2.7
179.05522	2.3
184.00916	1.0
187.09761	1.8
189.66905	0.9
229.57266	0.7
245.33003	0.9
245.39427	0.8
301.97095	0.8
305.91830	1.4
341.10086	28.9
342.10361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86349	0.4
59.01385	3.3
69.57405	1.4
71.01380	1.0
74.99097	12.6
77.13403	0.4
89.02443	1.2
109.02964	0.9
112.69730	0.3
118.98090	100.0
119.03468	0.4
119.98446	1.8
125.87356	0.9
137.02455	1.2
139.88913	1.1
171.01225	2.1
189.03812	0.4
203.10825	0.5
219.08456	2.1
227.86819	0.5
237.09569	1.0
255.93594	0.5
271.47433	0.4
279.10504	2.1
287.60010	0.4
323.05966	0.5
323.09604	1.1
341.06674	2.0
341.10703	4.4
342.11026	0.3
342.23938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58367	0.5
55.01880	1.0
57.03452	1.5
58.00594	1.2
59.01382	100.0
60.01725	1.3
66.62184	0.4
69.66252	0.4
71.01385	58.4
72.01738	1.2
72.99312	2.0
73.02946	1.6
78.95909	0.8
81.32257	0.5
83.01396	1.6
85.02962	10.9
85.49169	0.5
87.00877	4.5
89.02450	77.9
90.02775	1.2
92.92809	5.9
94.92522	2.7
95.01402	3.3
96.96983	0.7
97.02955	1.0
101.02448	28.3
107.03506	0.7
108.90198	2.3
110.89972	0.7
112.89695	0.5
113.02455	24.4
115.04047	0.6
119.03507	27.8
120.03899	0.6
129.01907	1.0
131.03513	4.5
131.04651	2.1
133.01462	1.0
143.03510	6.9
148.94943	0.7
149.04561	2.7
161.04568	8.0
166.97478	1.2
173.69861	0.6
179.05617	32.1
180.05997	1.2
235.55521	0.5
341.10889	45.8
342.11270	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15341	0.8
54.98873	0.7
55.01867	1.0
57.03439	2.1
58.00579	1.4
59.01377	100.0
60.01706	1.5
60.93132	0.6
70.32018	1.1
70.32336	1.4
71.01380	62.0
72.01717	0.9
73.02943	2.5
75.00879	0.8
78.95886	1.0
83.01399	3.7
85.02939	9.9
87.00881	3.2
89.02442	85.0
90.02791	1.5
95.01395	3.1
96.96973	1.5
101.02446	29.5
109.02929	1.0
113.02444	26.2
114.02749	1.0
119.03496	28.3
120.03832	0.9
123.04527	1.3
123.61263	1.0
125.02425	4.0
131.03496	3.5
131.04517	1.6
133.03000	1.4
135.03491	1.2
135.04523	22.5
143.03499	8.5
149.04570	2.6
151.00389	3.7
151.04015	2.8
153.01935	42.0
154.02278	1.6
161.02502	4.3
161.04558	10.5
161.06610	0.8
161.08182	1.6
179.03514	28.1
179.05624	34.6
180.03792	1.4
237.80586	1.1
243.06233	1.1
341.10886	44.9
342.11340	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	341.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41779	1.1
57.03453	1.6
59.01379	100.0
71.01381	64.1
71.01787	1.8
71.41930	1.2
72.01728	1.9
72.99313	3.0
73.02956	4.5
78.95917	3.1
83.01437	1.5
85.02953	13.9
87.00897	5.3
88.04050	1.7
89.02441	78.6
92.92831	2.6
94.92488	1.5
95.01392	3.3
96.96993	3.2
99.00935	1.7
101.02442	36.3
101.03101	2.0
108.90240	1.5
110.89915	2.0
111.00904	1.8
113.02448	25.0
117.01930	2.4
119.03508	24.8
119.04316	1.6
119.05046	1.4
125.02441	1.3
127.87063	1.3
129.01978	3.2
131.03528	5.0
132.03081	1.9
133.02983	2.5
135.04523	14.3
143.03479	7.7
147.79428	1.2
149.04561	13.2
150.94843	1.4
154.91585	1.1
161.02454	8.3
161.04532	9.4
161.08229	1.7
166.97563	2.3
171.66588	1.3
179.03558	13.0
179.05670	32.6
180.06561	1.4
192.95651	2.7
199.00937	1.1
210.68880	1.3
274.92090	1.2
281.12378	1.3
305.91907	1.4
308.76910	1.3
341.10980	40.8
342.11292	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	341.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73909	0.6
55.01883	0.9
57.03449	1.6
58.00602	1.0
59.01380	100.0
60.01713	1.1
63.32761	0.7
69.52085	3.2
71.01383	63.5
72.99310	1.7
73.02958	3.2
78.95913	1.2
81.86266	0.8
83.01384	1.9
85.02954	19.8
87.00900	3.0
88.98815	0.8
89.02446	76.2
90.02789	1.4
92.92799	1.1
93.62852	0.7
95.01392	4.1
96.96951	1.5
98.22579	0.9
99.00873	0.9
101.02448	27.6
102.02833	0.8
103.92024	1.0
111.00941	1.4
112.63386	0.6
113.02454	23.6
113.03251	1.1
116.92896	1.1
117.27256	0.7
119.03506	26.7
125.02518	0.8
129.01964	5.9
131.03502	3.8
132.03044	0.7
133.02980	0.7
135.04530	10.1
143.03494	8.0
149.04552	6.3
156.46848	0.8
161.02495	3.2
161.04564	8.1
166.97536	1.5
173.00943	1.6
179.03537	7.8
179.05646	29.7
179.07150	1.5
180.06061	0.9
189.76265	0.7
190.96167	0.9
197.31454	0.9
341.10889	41.6
342.11316	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22309	1.0
57.03436	4.1
59.01371	3.4
67.01868	1.6
69.03455	3.6
71.01377	1.3
71.05024	2.9
79.05531	4.2
81.03442	2.4
83.05029	2.5
84.02171	13.7
85.02950	1.8
95.04466	1.1
95.05032	5.3
97.02944	4.2
97.06593	4.7
99.04523	5.6
111.04530	1.5
111.08134	1.6
113.09747	1.3
119.08686	1.6
123.04512	1.4
123.08150	3.7
125.06084	1.3
125.09709	6.4
127.11289	2.0
131.62985	1.0
135.08147	1.4
137.09703	5.3
141.09186	2.0
151.11368	1.2
153.09268	1.3
155.10689	1.8
163.11324	1.1
167.07121	4.0
171.10274	21.9
172.10666	1.2
173.11868	7.4
177.12863	1.9
183.13876	15.1
185.11758	1.8
187.09779	2.5
193.12383	4.1
197.11731	1.2
199.09746	3.1
201.11292	3.5
209.11873	3.2
211.13403	18.8
212.13762	1.9
221.11768	2.2
225.14955	4.1
235.13516	1.3
237.14977	9.4
253.14673	1.2
265.18079	1.4
268.61539	1.1
279.14899	1.2
279.19632	2.8
281.05829	1.4
287.16513	1.6
291.19693	2.4
305.17493	2.1
323.18661	5.5
323.22070	1.3
341.06616	2.9
341.19638	10.3
341.23318	100.0
342.23602	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06158	1.2
51.47179	1.0
57.03443	4.8
58.00608	1.1
59.01374	4.5
61.98788	1.3
65.03956	2.0
69.03462	8.3
70.64073	1.7
71.01376	3.5
71.05009	4.7
73.02953	2.8
80.02689	2.0
81.03465	5.6
83.05029	10.6
84.02164	1.4
84.62132	1.2
85.02934	2.4
87.04517	3.5
93.03461	5.5
95.05035	8.6
96.02165	1.0
97.02970	1.9
97.06591	6.4
99.04536	4.5
107.04980	1.8
109.06590	12.2
110.03735	2.3
111.04530	7.4
111.08154	3.9
113.09750	1.2
121.06550	1.4
122.53757	1.0
123.04527	1.3
123.08158	4.3
125.06078	1.4
125.09728	8.6
127.07637	2.0
127.11306	2.2
135.08142	2.4
137.09731	2.2
139.07629	4.4
141.09195	1.3
151.07660	3.8
151.11316	1.1
153.09229	5.7
155.10745	1.7
165.09198	2.8
165.12836	1.3
167.10840	1.3
171.10291	27.1
172.10541	1.5
177.19260	1.2
183.10229	2.3
185.11800	9.4
187.09770	1.5
189.12811	1.3
197.11809	3.3
199.09764	1.8
201.11320	15.4
203.14485	1.3
205.12354	1.1
209.11829	22.5
210.12250	1.8
211.13400	1.8
211.39307	1.1
213.11372	2.5
215.12776	1.3
215.29037	1.0
215.84447	1.1
217.10748	2.9
221.11853	1.1
223.13406	7.0
223.15321	1.1
227.12891	3.9
229.10788	3.9
235.13423	5.2
237.14850	1.6
247.13403	3.2
253.14467	3.5
265.14435	5.6
277.18231	1.5
287.16522	2.7
305.17685	5.4
323.18683	11.9
341.19687	100.0
342.19885	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	9.1
66.48400	1.9
66.83203	2.3
67.96548	2.2
69.29319	12.4
71.01379	8.2
71.05008	8.0
73.02950	2.3
81.03459	5.0
83.05028	8.6
84.02145	4.0
85.02950	3.7
89.02438	3.2
95.05029	6.0
97.06551	3.4
97.72133	2.1
98.22611	4.5
99.04523	2.6
106.11278	2.1
107.05017	2.2
109.06601	2.5
113.06078	2.9
125.06081	8.6
125.09750	2.6
135.04530	3.6
137.71613	2.1
153.02020	2.3
161.02533	2.3
163.11305	7.0
165.12848	4.7
171.10185	2.0
179.03453	5.4
182.90071	2.0
185.11821	24.2
191.14455	2.2
197.11848	18.5
199.98692	3.3
209.11827	100.0
210.12231	8.4
221.11761	5.2
227.12939	13.0
235.13351	3.6
239.12888	6.2
251.12817	7.5
265.14471	3.1
305.17529	13.4
323.18713	14.4
341.19623	39.7
342.19901	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	341.197
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44040	1.7
54.21180	1.8
56.05944	1.7
57.03444	7.3
58.00645	1.8
59.01373	6.5
62.73366	2.1
66.58021	2.0
67.01884	2.0
68.84132	2.0
69.03467	7.1
71.01385	2.3
71.05019	39.7
77.34184	2.0
80.02654	2.8
81.03459	36.7
83.05024	22.0
93.03461	7.8
95.05022	19.5
97.02973	5.8
97.06582	6.2
98.03707	2.5
99.04520	38.7
106.04298	2.5
107.05016	2.3
108.02180	4.3
109.06576	11.3
110.03735	7.4
111.04515	11.7
121.06599	4.5
122.56142	2.4
123.08181	2.9
125.09682	9.6
127.07662	5.7
127.11320	3.0
133.06593	4.0
135.08156	6.7
137.06090	4.1
149.09627	2.3
151.07646	14.3
153.09207	3.1
155.10855	3.5
160.90749	1.8
165.09219	4.0
171.10271	53.9
172.10635	2.7
175.11302	2.4
178.73413	2.0
185.11809	10.0
189.12840	2.2
191.14423	7.6
193.12349	17.1
199.13388	3.2
201.11354	7.4
207.13925	4.1
208.39980	2.0
209.11865	3.5
211.13412	3.5
213.11267	2.2
223.13356	3.8
233.11867	3.2
235.13408	40.5
236.13666	2.6
243.17572	5.5
247.13684	2.5
249.14981	2.8
253.14444	100.0
254.14810	7.1
265.14316	5.7
287.16522	37.5
305.17596	24.1
323.18573	13.0
337.24789	2.0
341.19687	35.7
342.20093	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.1
56.61450	1.1
57.03451	2.8
59.01390	5.7
69.03461	2.6
69.61882	3.6
69.62260	2.1
71.01379	3.6
71.05019	19.0
73.02968	1.1
81.03458	42.5
81.03945	2.2
83.05025	30.0
84.02163	1.3
84.05379	1.3
85.02961	1.9
89.02470	1.8
93.03457	22.4
93.04018	1.5
95.05022	7.5
96.02158	2.0
97.02956	3.1
97.06546	1.8
101.02415	1.3
107.05009	3.4
109.02940	2.8
109.06590	7.6
110.03738	2.2
111.04525	81.8
113.06091	1.9
121.06564	1.1
122.03719	3.7
123.04543	12.6
123.08160	3.1
125.06087	1.2
125.09725	4.3
127.07713	2.0
127.11307	2.8
127.83707	1.0
133.06628	1.6
136.05330	1.6
139.07672	8.3
141.09193	1.5
151.07654	55.1
152.07994	3.0
153.09256	1.2
167.06999	1.0
169.08708	40.1
170.09094	2.3
171.10272	100.0
172.10587	5.1
179.05539	1.7
199.09769	1.1
201.11328	18.1
209.11920	7.3
213.11324	15.0
223.13564	1.5
227.12910	3.2
251.12878	5.3
255.38602	1.2
265.14526	2.2
267.06647	1.4
287.16547	4.8
295.06158	1.4
296.06821	2.1
305.17563	6.5
311.09061	3.2
323.18604	7.2
341.10229	7.4
341.19727	19.2
342.20001	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.4
58.00570	3.0
58.69051	1.7
59.01373	3.6
66.16447	1.7
69.03440	3.6
69.41200	4.4
69.41589	3.0
71.01378	3.8
71.05013	6.1
73.02944	2.1
76.27794	1.7
80.02666	3.4
81.03453	7.0
82.67807	1.8
83.05029	11.5
84.02171	6.8
85.06573	2.6
86.46483	1.7
87.04502	5.6
93.03477	3.6
95.05024	20.8
96.02149	2.4
97.06593	6.2
98.03736	5.5
99.04536	1.8
109.06594	31.0
110.03712	2.3
111.04523	5.9
112.05267	2.0
113.06103	22.1
113.57851	1.8
121.06583	3.4
123.08151	4.9
125.06079	4.4
125.09734	19.5
127.07654	13.8
127.11301	8.5
135.08177	3.1
137.09808	2.3
141.09215	1.9
151.07614	3.6
151.11284	3.4
153.09283	3.5
155.10782	5.2
165.09183	3.0
165.12798	2.1
171.10294	30.0
183.10397	4.2
185.11818	7.8
189.12888	2.6
195.10303	3.8
197.11830	2.5
199.09721	5.0
201.11331	85.8
202.11595	2.4
209.11844	45.9
213.11314	59.8
214.11635	4.5
223.13400	2.2
227.12914	6.9
233.11824	3.3
235.13486	4.8
245.81783	1.9
251.12840	28.4
252.13266	3.8
265.14398	4.9
287.16519	19.9
288.16797	2.4
305.17639	22.3
323.18570	32.3
324.18948	3.8
341.19675	100.0
342.20050	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	341.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	5.4
59.01374	5.9
69.03452	4.2
69.26221	5.1
71.05020	30.8
78.84389	1.1
81.03460	28.6
83.05030	20.3
85.06608	1.1
93.03471	2.7
95.05045	9.6
97.02952	7.7
97.06594	4.0
98.03724	1.7
98.21905	2.5
99.04517	31.2
100.04862	1.1
101.06084	1.9
102.11559	1.1
106.04251	1.2
108.02145	1.8
109.03001	1.6
109.06581	9.8
110.03722	3.1
111.04533	6.9
112.39478	1.4
121.06599	4.0
123.04497	2.1
123.08179	3.2
125.09715	4.2
127.07629	1.5
135.08157	1.4
151.07651	13.6
153.09190	4.0
155.10782	2.8
165.12842	1.5
171.10269	35.2
172.10739	2.0
185.11833	2.5
189.12820	4.4
191.14439	4.7
193.12331	15.9
194.12814	1.7
195.13873	1.7
197.11887	1.3
199.13385	2.0
201.11304	4.3
207.13863	2.7
209.11794	3.7
211.13457	3.3
217.12473	1.6
221.11829	1.7
223.13300	1.9
233.11908	1.4
235.13380	37.7
236.13783	2.8
237.14877	2.0
243.17532	5.7
248.90958	1.2
249.15134	2.2
251.12854	1.2
253.14456	100.0
254.14761	6.5
261.18442	1.5
265.14386	1.4
287.16531	21.8
288.16727	3.1
293.91870	1.3
305.17606	14.7
323.18622	6.9
341.19672	23.9
342.19897	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76793	2.9
57.50380	3.4
59.01376	14.5
61.98806	5.9
71.01385	9.5
71.66608	3.6
73.02939	13.0
73.89957	3.4
80.02685	4.0
82.20213	3.5
84.02172	4.1
85.02953	7.4
95.05035	30.7
97.06581	6.1
100.01658	8.6
107.05003	4.5
109.06516	4.2
111.08195	5.1
113.06106	5.1
113.09695	12.0
115.07655	13.0
125.09709	12.4
127.07677	25.5
139.07613	14.6
141.09201	14.3
151.07646	9.9
151.11266	14.0
163.11301	7.3
169.08725	26.0
169.12300	5.2
171.10271	100.0
172.10553	4.6
185.11830	10.1
197.11777	4.7
199.13306	4.5
201.11325	11.0
207.10306	16.6
209.11821	9.9
213.11325	12.1
225.11331	21.7
227.12935	25.6
266.68256	3.7
276.69794	3.6
279.19638	17.7
305.17514	12.7
323.18457	10.0
341.19724	6.0
341.23413	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	341.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	3.0
57.24741	2.4
58.00590	4.3
59.01376	12.0
69.74770	6.9
69.75092	2.4
71.01382	7.0
72.02148	4.7
73.02968	16.0
83.05060	2.6
84.02161	4.9
85.02961	8.5
88.21776	2.3
88.80289	2.4
94.73716	2.2
95.05029	40.7
97.06602	7.8
98.21925	5.2
99.08160	5.3
100.01672	12.6
107.05016	4.6
109.06616	5.9
111.08168	8.5
113.06105	6.8
113.09738	16.3
115.07633	15.6
125.06083	6.5
125.09706	5.2
127.07655	34.2
127.11285	8.2
127.66203	2.5
139.07649	10.8
141.09196	17.2
143.07005	3.1
149.09689	3.8
151.11264	19.5
155.10825	2.8
163.11237	6.7
167.10751	5.2
169.08698	33.6
169.12387	7.0
171.10258	100.0
172.10614	3.9
181.12370	4.6
185.11804	8.5
195.10246	3.3
197.11836	4.0
199.13414	10.9
201.11333	11.2
207.10257	16.5
209.11873	9.7
213.11304	15.1
215.13043	4.2
225.11287	29.0
227.12891	31.8
229.90498	2.8
279.19754	17.3
287.16388	4.1
295.18527	2.4
305.17517	11.0
323.18488	8.3
341.19754	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	341.2233
Annotation	N-Methyldihydroquinicinol
Peak:m/z	Relative Intensity
59.01364	1.5
61.98824	2.0
65.03951	6.0
69.43469	5.6
69.43837	2.8
76.47465	1.2
89.03972	88.6
90.04306	1.8
94.02985	3.1
98.21910	2.2
99.04468	1.6
108.04546	1.4
110.24075	1.4
114.09251	11.2
115.05540	23.0
117.07083	1.8
130.04245	2.6
130.06657	7.8
130.96637	1.4
135.78621	1.3
138.09299	1.9
139.11261	1.9
144.04544	2.2
148.07704	1.5
156.04636	2.6
157.05341	40.0
158.06120	53.2
159.06543	2.6
160.07698	3.1
165.12854	2.4
170.06075	4.1
170.88313	1.3
171.06866	2.9
179.00546	1.4
179.75569	1.3
205.12263	2.2
219.13844	3.1
225.16075	3.7
243.15038	11.1
243.17171	2.8
301.21832	1.8
315.19525	2.7
341.17407	22.2
341.22266	100.0
342.17920	2.5
342.22592	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03893	1.2
59.01373	1.3
61.98803	1.3
65.08250	1.0
69.03454	2.5
74.28629	1.1
76.13643	0.9
83.05019	1.1
84.02164	16.5
96.37135	0.9
97.02943	8.9
97.06566	1.3
99.04520	4.3
119.08665	2.4
125.09711	1.4
126.69088	1.0
127.11283	1.6
135.08159	1.8
137.09811	1.1
142.14977	1.3
144.28520	1.0
161.02580	0.9
171.10269	50.7
172.10637	2.7
184.01030	2.2
193.12398	2.0
199.98717	1.3
211.51511	1.0
225.14919	3.1
235.13394	1.3
243.15950	1.7
253.14473	2.5
291.19693	4.4
305.17584	3.1
341.06967	1.4
341.23318	100.0
342.23749	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	341.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92029	0.5
57.03447	0.9
59.01377	2.5
62.04954	0.6
69.03438	0.7
69.21443	1.2
69.21848	1.9
71.01376	0.9
73.02959	0.5
79.05537	1.5
83.05023	1.0
84.02167	17.3
85.02962	0.9
92.32716	0.6
95.05022	0.9
97.02946	2.9
97.06593	4.2
97.08289	0.6
99.04523	4.4
115.14377	0.5
119.08736	0.7
125.06090	0.8
125.09734	1.4
132.35556	0.5
135.08162	0.9
145.36014	0.7
159.57280	0.6
163.11205	0.7
165.12840	0.7
171.10274	17.9
172.10587	1.0
183.13904	15.6
184.01109	0.8
184.14276	0.7
185.11751	0.7
193.12331	2.7
193.57983	0.5
199.98824	0.9
207.10303	0.8
209.11734	2.6
211.13387	9.4
213.74992	0.5
223.17088	3.5
225.14978	5.0
233.15494	0.8
237.14876	1.1
243.15970	1.9
265.18073	1.0
267.15985	1.4
281.05743	1.0
291.19720	1.7
323.21979	0.7
341.23306	100.0
342.23682	11.3
359.88745	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90279	1.5
59.01374	4.7
68.68869	1.5
70.89436	1.9
71.01370	1.7
95.05081	2.0
108.61928	1.5
113.09715	2.4
116.59061	1.7
119.82934	1.7
123.04536	2.8
123.08171	3.4
125.09744	5.3
137.09698	1.9
151.11331	8.6
153.09247	4.5
154.09999	10.6
163.11359	2.1
169.12332	3.9
171.10294	28.5
172.10532	1.8
195.14005	1.5
199.98700	1.9
200.09978	1.6
202.11571	1.8
213.11409	4.8
239.12816	2.0
247.20705	5.6
248.20825	1.9
291.19662	100.0
292.19955	7.8
303.99612	1.9
309.20734	37.9
309.24017	3.0
310.21008	3.9
323.18857	2.1
323.22275	11.4
341.23331	71.9
342.23734	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	341.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57787	0.8
58.54712	0.7
69.03455	0.9
70.97795	1.0
75.31163	0.6
84.02170	26.6
88.91033	0.6
95.76001	0.7
97.02951	8.6
97.06599	0.7
99.04520	5.9
103.15784	0.7
119.08686	3.2
125.09725	1.5
126.03242	7.0
127.11323	1.4
135.08197	1.6
137.09738	1.2
171.10269	65.0
172.10626	2.7
193.12343	0.9
199.13402	24.6
199.98660	0.8
200.13802	1.3
225.15105	1.0
253.14471	0.7
291.19571	1.6
341.20071	4.4
341.23331	100.0
342.23627	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	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98832	38.8
70.71118	5.5
71.01383	12.3
89.02435	6.0
101.02448	6.3
103.92061	8.9
108.91459	5.3
121.02970	21.8
125.87318	8.7
127.87061	23.7
135.04488	7.4
136.04875	4.6
137.06075	9.7
141.91212	3.8
142.87601	7.3
144.87311	9.6
150.90685	6.5
179.03561	5.9
180.03918	5.2
180.06653	11.2
267.94421	12.5
269.94107	5.5
271.83380	4.1
303.92065	9.7
305.91812	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	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58295	0.3
59.01373	0.8
61.98830	100.0
95.95738	0.4
96.96010	0.4
120.99654	3.5
121.02969	0.6
168.79060	0.4
184.00975	0.4
199.98689	0.7
205.12439	0.7
219.74577	0.4
279.12537	0.7
342.07059	1.6
343.10458	0.8
343.21274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57406	1.4
55.49899	1.2
59.01380	85.9
61.98825	3.6
65.16235	1.1
71.01382	36.4
71.43011	1.3
72.99307	1.5
83.01399	1.8
85.02947	8.7
89.01933	2.1
89.02450	28.9
95.01377	2.3
101.02445	26.0
106.06621	2.8
109.06549	1.9
112.42776	1.3
113.02473	10.0
114.05625	1.4
119.03513	12.2
121.02940	2.7
134.04730	1.9
134.06100	4.0
135.04523	3.5
137.06100	3.0
138.01979	10.0
138.02895	1.3
138.65373	1.5
162.05614	70.6
163.05989	2.9
166.08723	2.7
180.06642	2.7
181.05075	12.3
199.98831	1.6
253.39638	1.2
342.11926	100.0
343.12491	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	342.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.23546	2.5
67.60257	2.2
69.17828	2.0
69.48003	10.8
81.53711	2.2
132.82692	2.4
153.01999	2.9
158.92456	2.2
209.70633	2.3
277.21890	3.9
311.50131	2.9
342.20477	100.0
343.20782	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	88.7
59.15785	0.1
60.01714	0.8
61.98840	0.2
70.57228	0.1
72.80975	0.1
82.95427	0.2
91.18949	0.1
98.21777	0.1
106.28514	0.1
113.04607	0.3
115.02547	0.3
121.02933	0.2
157.03564	6.1
158.03726	0.4
159.01506	3.3
160.01645	0.2
178.95023	0.2
199.98778	0.3
201.02556	100.0
202.02722	8.1
235.10080	0.1
343.03696	3.5
344.03867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	90.6
60.01713	1.2
70.16403	1.1
71.01385	1.2
73.03448	0.4
78.95904	10.5
81.03478	0.4
85.02969	0.6
87.00893	0.7
89.02441	0.8
92.02606	0.4
93.03473	1.0
95.69245	0.5
99.00873	0.8
101.02422	0.4
104.77903	0.4
107.03655	1.6
110.02467	0.6
110.98535	7.7
113.04588	0.5
115.02461	0.6
115.45261	0.4
119.05027	69.2
119.80698	0.4
120.05360	2.5
121.02954	37.7
122.03304	1.0
123.04526	0.8
134.04733	29.2
157.03545	5.4
158.03743	0.6
159.01488	2.9
173.03090	0.5
175.02776	0.5
181.05057	17.0
182.05446	0.8
184.97635	0.4
185.01167	0.9
188.96683	0.4
199.00978	1.4
199.98793	0.9
201.02545	100.0
202.02718	7.8
209.02232	3.9
267.09442	0.4
268.91202	0.4
283.11478	0.8
343.04099	2.5
343.10254	9.6
344.07452	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	343.0822
Annotation	(-)-Usnic acid
Peak:m/z	Relative Intensity
55.38649	2.9
59.01347	4.6
70.77638	3.0
71.13059	3.5
71.13406	3.7
83.01389	66.4
156.69951	3.6
176.19363	2.9
186.57127	3.4
189.05562	5.8
195.47092	3.0
215.03505	5.5
215.07193	3.3
229.05075	3.3
231.06593	41.7
255.06700	4.1
257.04520	5.4
259.06097	37.7
295.78223	3.0
299.09268	4.6
301.07086	5.2
313.03555	33.6
328.05887	80.4
329.06100	6.5
343.08228	100.0
343.22739	6.5
344.08646	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	343.1032
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
57.02063	0.4
59.01380	14.0
70.99593	0.6
71.01388	0.6
72.82636	0.3
95.05072	0.5
107.05070	0.4
109.02961	5.2
109.06601	4.5
119.05034	3.8
121.02966	6.3
122.03755	1.3
129.86760	0.5
135.04555	3.7
137.06091	28.7
138.06473	1.5
163.05951	0.7
167.79108	0.3
181.05070	100.0
182.05394	4.5
343.10242	14.2
344.10590	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01076	0.7
59.01377	14.2
69.43327	0.4
70.45084	0.9
71.01436	0.5
81.03463	0.5
87.54989	0.4
89.49158	0.4
93.03461	0.5
95.05034	0.7
100.01517	0.4
104.80989	0.4
109.02958	5.6
109.06594	3.4
119.05033	3.4
121.02955	7.0
122.03737	0.8
134.04791	0.6
135.04509	3.7
137.06085	28.9
138.06425	0.5
181.05063	100.0
182.05385	4.1
219.75693	0.4
248.43382	0.5
343.10281	16.2
344.10751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	45.9
60.01713	0.5
61.80751	0.3
70.08611	0.5
70.08939	0.5
71.01377	3.6
72.01721	0.3
78.95912	2.7
79.19421	0.3
81.03454	0.3
85.02949	1.1
87.00876	1.1
88.74806	0.3
89.02451	4.2
93.03466	1.4
95.78106	0.3
97.02956	0.3
99.00864	0.4
101.02422	1.9
107.03593	0.5
107.69575	0.3
110.98518	2.4
111.02010	0.3
113.02451	1.4
113.04643	0.3
119.05026	100.0
120.05353	4.5
121.02954	55.5
122.03278	1.9
123.04518	0.4
130.08740	0.6
134.04720	8.4
138.05609	0.5
143.03467	0.4
156.99940	1.0
157.03560	2.4
159.01408	0.8
160.84312	0.4
161.04581	0.8
164.03510	0.4
171.01512	0.3
172.97675	0.3
173.03040	1.4
174.03140	0.4
175.02834	1.1
176.02957	0.3
178.05069	0.3
179.05644	0.9
181.05066	20.5
182.05376	1.1
183.01532	0.4
199.00978	2.8
199.98788	0.6
200.01062	0.8
201.00880	2.2
201.02539	38.0
202.02654	2.9
209.02188	1.5
210.10677	0.3
226.06110	0.3
232.56021	0.3
289.06342	0.3
343.03491	1.1
343.10306	12.0
344.06937	1.7
344.11060	0.7
349.00107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32265	1.2
57.58828	1.3
59.01382	72.5
61.98819	1.5
69.19513	8.9
71.01377	2.8
79.95739	1.4
82.00007	1.5
85.02899	1.4
89.02457	2.9
98.02483	1.7
101.02413	1.6
113.02423	3.3
121.02957	100.0
122.03271	2.6
130.08728	11.5
135.04533	3.6
157.13472	9.2
181.05045	3.6
181.08665	1.4
183.11340	1.4
193.05165	2.2
201.12405	3.5
214.15636	9.4
300.15622	16.5
309.14505	4.0
326.17096	3.5
343.09445	2.7
343.13950	3.4
344.18164	5.9
366.50372	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	343.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01795	2.5
59.01381	46.1
61.98817	7.8
71.01408	3.7
91.30740	2.8
116.07175	9.9
121.02969	6.0
130.08763	4.2
138.01984	10.7
145.08708	100.0
146.09036	4.0
160.84090	4.4
162.83731	3.0
181.05095	6.2
197.02261	3.5
212.10367	3.9
275.66116	3.0
309.14395	5.3
343.11807	3.6
343.19830	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	343.14
Annotation	Taxuside
Peak:m/z	Relative Intensity
55.01916	6.5
56.21053	6.3
57.03440	9.8
59.01381	67.9
61.98825	5.8
69.03452	6.9
71.01383	100.0
73.02950	37.9
80.02682	12.0
81.03493	5.9
83.01348	13.4
85.02953	78.4
87.00894	8.5
89.02454	13.3
95.01395	21.0
97.02973	20.0
97.06608	6.1
99.00891	10.2
101.02445	48.1
113.02464	38.4
119.08664	52.1
121.02936	13.6
135.08182	8.0
137.09726	56.9
139.11290	9.2
155.10655	6.9
159.03110	6.5
161.04497	10.9
163.07640	12.4
165.09189	14.0
180.07915	21.9
181.08696	73.7
182.09021	7.3
257.65012	6.6
336.73575	6.3
343.13962	23.9
343.21262	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	343.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58586	14.6
59.01372	38.0
61.98829	23.4
65.12393	15.0
68.76019	15.0
71.42605	17.2
71.42957	14.3
86.20805	15.2
94.31004	15.3
96.04206	13.8
118.18864	17.0
125.09724	96.8
171.10289	30.9
187.09778	84.3
223.41469	18.4
280.70334	15.3
307.19162	100.0
316.61096	14.8
343.21115	29.4
343.24887	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.168
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39423	1.5
57.03439	3.5
61.98827	2.2
62.79506	1.5
67.27800	1.6
70.39966	1.8
70.84655	3.1
121.02956	2.1
131.74310	1.5
245.19017	8.7
263.20160	17.2
270.77451	1.7
307.19138	100.0
308.19513	9.8
340.13895	1.9
343.16650	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	343.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.4
64.06012	2.6
69.94836	5.5
69.95169	3.8
84.96796	2.4
86.71786	2.8
99.08148	8.5
125.09730	8.1
137.09665	3.0
142.44943	2.4
158.40041	2.9
171.10205	18.7
183.13881	5.1
193.12329	11.2
199.09799	4.5
209.11816	3.7
211.13423	30.2
212.13831	2.8
225.14944	8.7
243.16028	6.1
245.19124	7.7
246.92406	2.7
289.18146	38.2
290.18314	4.3
307.19211	15.1
325.20071	3.5
343.20840	7.3
343.24869	100.0
344.25208	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51169	6.9
57.03437	11.2
59.01383	49.0
65.03980	13.1
69.13654	15.7
69.14068	41.1
69.94939	8.1
71.05005	12.9
97.06598	43.8
98.22610	18.5
99.08154	15.5
101.85941	8.5
121.06594	33.4
123.08124	19.6
125.09727	77.9
129.09264	9.1
137.09648	9.6
141.09229	14.2
142.25751	7.6
143.10725	9.2
155.10712	11.7
171.10303	45.1
185.11781	39.5
187.09818	12.7
193.12360	9.2
199.09683	11.9
201.11293	100.0
209.11829	13.1
215.12898	13.9
235.13458	51.1
289.18051	12.9
307.19122	68.5
343.24878	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.41888	0.4
59.01378	37.2
60.01697	0.5
71.01376	0.9
71.45451	0.4
82.06618	0.5
84.08203	0.5
89.02464	0.7
119.04998	0.7
128.07164	0.6
130.08739	100.0
131.09081	2.6
135.04544	0.9
153.01953	1.1
157.03587	2.5
159.01489	0.8
168.99922	0.5
172.01039	0.5
181.99352	0.4
188.07846	1.8
201.02548	38.0
202.02736	4.9
212.07903	0.4
228.07211	0.6
230.08875	2.6
239.02904	0.3
240.07271	1.1
243.08350	1.0
296.82709	0.4
299.06223	0.6
299.14685	1.7
301.16174	2.8
302.16299	0.5
343.03738	1.4
343.17233	70.2
344.03836	0.5
344.17450	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
53.25671	0.5
57.03438	2.4
58.00589	0.8
59.01375	2.5
62.30607	0.6
65.48699	0.6
71.01369	2.0
71.05002	0.6
73.02940	5.4
80.39513	0.5
83.05018	1.6
85.02946	1.3
87.04508	1.1
95.05023	0.7
97.06583	3.1
109.06600	2.2
111.08153	5.0
113.09732	11.2
121.02908	0.6
123.08182	3.9
125.09727	6.9
125.93859	0.5
127.11303	1.2
130.72099	0.5
135.08139	1.9
137.09723	0.8
139.11247	0.7
141.09236	2.9
151.07639	0.9
151.11305	1.3
153.09210	15.6
154.09575	1.0
155.10789	1.7
157.08754	0.7
164.64940	0.5
165.09187	2.0
167.10764	0.7
169.12363	0.7
171.10275	9.8
172.10588	0.7
183.10254	1.5
185.11850	1.2
187.09752	1.2
197.11745	0.5
201.11362	2.9
203.50945	0.6
213.11368	1.0
217.10796	8.8
229.10803	8.9
261.18823	1.0
269.17606	1.0
279.19598	1.3
307.18958	0.9
325.20233	4.4
343.21249	100.0
344.21594	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
55.01869	0.6
57.01487	0.5
57.03445	3.3
59.01384	2.4
64.89120	0.5
68.05983	0.4
69.03465	1.0
69.28634	2.3
69.29565	0.4
71.05021	2.2
71.47612	0.6
81.03468	0.6
83.05022	2.3
84.02177	2.5
85.02964	3.0
85.06600	1.4
85.41599	0.5
87.04507	3.0
89.81198	0.5
94.04247	0.5
95.05035	5.1
96.37178	0.5
97.02970	0.5
97.06591	2.6
106.04269	0.7
109.06586	1.8
113.06104	2.1
115.07632	0.6
121.03024	0.7
123.08171	1.2
125.09723	1.5
127.07631	0.8
127.11307	1.7
135.08176	1.9
163.11232	0.9
165.12904	0.9
167.14410	1.0
171.10266	16.1
172.10614	0.7
183.13876	2.5
185.11819	1.6
191.14476	0.7
193.12254	0.9
193.16003	1.4
199.13411	0.8
201.11327	1.7
209.11823	6.4
211.13399	11.5
212.13808	0.7
221.11826	0.9
227.13008	0.7
229.14438	12.8
237.14948	12.5
239.12933	0.6
249.14967	1.7
255.16086	0.5
263.16470	1.1
267.15955	1.1
274.03647	0.6
289.18097	2.5
307.15497	2.4
307.19156	1.4
325.20206	7.6
343.21246	100.0
344.21588	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	343.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84856	1.2
52.21166	1.2
57.03444	2.7
59.01379	4.3
61.98822	1.5
62.25176	1.3
69.21263	7.2
78.91898	1.7
83.05019	4.1
84.02184	2.4
85.02957	1.8
85.06577	3.8
85.41016	1.3
95.05025	4.1
97.06579	7.3
98.21867	2.5
99.06248	1.2
113.06062	2.2
115.07650	1.9
119.12964	1.2
121.02982	2.1
123.08181	2.5
125.06083	1.8
127.11302	1.5
135.08162	1.9
171.10301	7.2
181.12363	1.4
185.11691	1.9
199.13411	4.7
201.11287	4.8
209.11804	17.1
211.13397	4.8
218.87433	1.4
229.14439	4.6
237.15102	1.3
260.67657	1.3
301.20218	2.7
325.20181	4.6
343.21249	100.0
344.21552	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	343.2125
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
51.11966	3.6
57.03447	7.3
58.01022	3.6
59.01388	23.3
63.99498	3.7
69.26821	21.1
70.39558	3.7
83.05019	5.2
87.04529	4.6
98.57864	3.7
128.10112	4.1
135.04478	5.1
145.94725	4.8
171.10275	30.4
178.51852	4.2
201.11317	15.5
209.11684	6.2
211.13362	5.5
235.13364	3.9
283.19046	8.5
301.20245	49.7
339.57980	3.9
343.21240	100.0
344.21545	8.2
365.80023	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	343.2489
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
59.01371	0.8
67.32880	0.6
69.03473	0.9
87.07241	0.6
97.06593	0.6
99.08162	3.9
105.00330	0.6
115.97079	0.6
121.10234	6.8
123.08160	0.8
125.09706	4.1
127.11274	1.5
137.09731	2.1
139.11241	1.6
155.10701	0.8
165.12766	1.0
171.10274	45.9
172.10628	1.8
177.29697	0.6
183.13843	0.7
185.11731	0.7
193.12349	6.6
201.11345	2.5
211.13405	1.8
225.14928	7.2
243.16064	2.2
293.21252	2.8
294.21750	0.6
307.19025	0.7
343.24887	100.0
344.25253	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34968	0.7
59.01369	2.2
69.03446	0.7
70.46025	1.2
83.05032	1.5
95.69925	0.6
97.06583	1.0
98.22633	0.8
99.08173	7.3
111.08153	0.8
121.02953	0.7
121.10239	3.2
125.09749	1.7
127.11373	0.7
137.09727	1.8
139.11322	1.1
139.44572	0.6
151.11246	0.7
165.12854	1.2
171.10271	18.7
172.10693	1.0
193.12349	12.1
194.12808	0.9
197.15552	0.8
211.13408	2.9
225.14935	16.0
226.15369	0.9
240.06436	0.7
243.15979	5.8
289.18121	5.7
293.21268	2.1
307.19241	1.0
325.20367	0.9
325.23987	1.0
343.24884	100.0
344.25177	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	343.249
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
50.00245	1.6
59.01389	3.3
61.98824	2.1
70.19078	4.6
70.64272	1.6
71.63960	1.8
121.02981	2.3
121.10236	8.2
130.48692	1.7
137.09677	2.7
139.11292	7.1
147.28317	1.7
171.10271	63.6
172.10638	3.8
192.95897	2.5
211.13397	2.2
305.17328	1.9
343.24939	100.0
344.25293	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	344.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
58.00581	0.9
59.01381	100.0
60.01730	0.9
69.17464	3.3
71.01383	46.0
72.01748	0.9
72.99326	2.0
73.02947	1.5
75.00923	0.7
83.01401	2.0
85.02951	9.9
87.00874	2.6
89.02446	51.3
90.02764	0.9
95.01376	3.8
98.22630	0.8
101.02447	26.1
102.02805	0.9
113.02454	20.6
113.19602	0.5
114.02852	0.7
119.03505	19.4
123.04485	0.6
127.87032	0.8
131.03522	2.4
132.04556	1.2
133.05376	1.3
134.06131	0.8
136.05305	1.1
141.23027	0.5
143.03474	4.0
149.04514	1.2
152.03555	3.6
161.04544	2.7
165.04291	3.3
166.05098	14.5
166.06422	0.8
167.05470	0.7
179.05621	6.6
180.03067	4.5
182.04579	46.4
183.04929	2.0
194.04533	1.4
195.81934	0.6
206.04520	2.7
224.05659	10.6
236.05612	3.8
254.06691	1.6
257.12985	0.8
284.07788	1.6
301.11871	0.9
344.09854	68.6
345.10522	6.8
345.15570	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	344.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	30.6
60.03882	1.0
60.48108	1.1
63.15100	1.1
69.28164	6.2
71.01384	19.0
72.00909	13.3
78.91873	1.3
78.95886	1.0
85.02945	1.6
89.01929	1.9
89.02443	24.8
101.02435	5.7
113.02438	5.0
119.03481	3.3
132.85258	1.3
147.03329	2.2
147.04524	38.6
148.04816	2.3
161.04572	1.7
164.07164	100.0
165.07518	5.4
174.99139	1.6
178.94971	1.9
179.05542	5.0
183.02960	1.4
246.07378	1.4
284.01056	3.1
290.97095	1.5
334.25687	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59263	25.6
58.44928	35.9
62.31289	27.1
63.53857	31.8
69.60091	27.6
69.80933	34.2
69.81247	51.3
75.79269	29.7
76.88725	26.7
77.21930	32.6
98.22534	62.7
113.70123	28.3
135.67496	31.6
145.04465	28.1
148.33461	28.1
179.79875	29.0
198.40413	26.1
246.70242	36.0
301.16531	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	344.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
68.68548	6.0
69.37418	17.2
69.37835	17.2
73.51608	6.9
85.99117	7.0
94.79758	6.2
101.03931	7.8
104.98487	6.3
204.49059	7.0
225.54193	7.2
300.34192	7.2
313.95032	7.3
344.22070	100.0
346.69290	7.1
352.67719	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	344.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71257	5.1
59.42853	5.2
61.01941	4.6
65.95975	6.0
71.32576	6.1
77.85286	6.1
98.62439	5.4
101.23396	4.6
150.24068	4.9
226.73604	5.4
301.21725	100.0
302.21921	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	344.9864
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76997	2.3
59.01379	4.4
68.97139	2.1
71.01388	11.8
72.99312	6.9
78.95907	31.6
85.02957	100.0
96.96026	3.6
96.96960	8.2
101.60653	2.3
105.19313	2.6
111.00878	8.4
115.00375	40.6
123.04492	2.8
129.01955	79.8
133.01437	82.4
151.00157	10.7
155.74744	2.2
173.00931	28.4
184.97675	5.0
194.99234	3.1
224.93518	4.1
226.57014	2.7
240.96655	5.6
346.05450	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	344.9865
Annotation	Unknow
Peak:m/z	Relative Intensity
64.89375	1.2
71.01381	12.7
72.99316	7.2
78.95908	12.4
85.02953	100.0
86.03278	2.0
89.02451	2.6
92.92812	3.1
94.72986	1.4
94.92525	12.0
96.92208	2.2
96.96954	3.6
97.57505	1.2
98.50000	1.3
108.90188	1.6
110.89925	2.9
111.00884	21.1
112.89612	1.1
115.00375	30.9
116.15826	1.2
125.31702	1.5
129.01947	64.2
130.79024	1.3
133.01436	69.7
134.04799	2.0
134.95517	1.3
151.00136	41.9
166.97504	3.4
173.00926	26.1
176.98013	2.7
178.84306	1.4
194.99155	7.6
211.00174	2.7
215.57709	1.7
224.93376	11.6
226.93048	14.2
246.25620	1.3
268.92520	6.8
270.92105	5.6
285.38300	1.6
346.05475	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	345.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04391	22.2
59.01374	91.6
61.98824	49.6
71.01038	27.4
71.01378	37.3
73.02985	23.7
78.95911	48.1
87.31422	20.9
89.02477	28.0
101.02450	20.8
121.03009	23.5
123.04523	74.2
137.06085	100.0
179.05647	23.5
183.20486	20.2
189.74304	21.7
293.65292	19.4
301.15347	25.5
343.75278	24.6
346.10211	22.0
346.15042	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	345.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17795	2.9
57.45625	2.7
59.01377	12.6
69.27840	9.3
69.28249	7.1
71.73492	3.1
78.71256	3.1
97.02958	13.0
105.07097	6.2
107.05104	3.0
108.05819	9.1
109.02972	4.4
111.04512	7.7
111.08183	3.5
113.06109	14.0
121.06635	4.2
122.03757	11.9
123.04526	7.6
123.08199	3.3
125.06076	17.3
136.05319	8.8
137.06110	9.3
138.06863	15.9
139.07640	31.7
148.05342	6.3
151.07648	69.4
152.04828	5.0
152.08464	25.8
153.09221	21.5
161.09694	5.4
163.07675	6.8
167.07138	5.1
178.09985	14.0
189.09459	4.1
201.09204	4.0
201.13010	18.6
201.14685	4.6
203.10826	14.7
204.11516	34.4
212.93005	3.5
215.10793	9.1
216.11514	4.0
217.58200	3.1
219.13905	52.1
220.14230	3.8
259.13208	5.3
263.12903	53.6
264.13113	3.7
267.10080	29.8
270.08939	4.5
285.11093	100.0
286.11526	8.4
307.97055	3.1
319.13876	5.5
327.10660	4.1
345.12454	32.1
345.16953	5.8
345.22110	7.0
346.12576	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	345.1344
Annotation	Gibberellic Acid
Peak:m/z	Relative Intensity
55.01884	0.8
57.03443	1.6
59.01372	2.0
69.45068	2.3
69.45429	1.0
71.05021	6.1
73.02941	3.8
83.05029	22.8
97.06589	1.1
111.47562	0.5
112.68729	0.5
123.04538	1.1
129.07140	1.2
143.08661	10.8
145.06557	0.7
155.08638	3.7
157.10229	1.0
161.09618	0.8
169.06590	1.4
169.10191	4.1
171.08153	1.0
173.09697	2.7
174.10069	0.6
175.11380	1.0
175.56511	0.5
179.08669	1.2
181.10257	1.4
183.11784	1.5
185.09691	0.7
193.10156	0.8
195.11801	1.5
197.06143	0.6
199.11324	0.9
201.12872	3.3
202.98753	0.6
213.12798	0.6
219.11842	0.8
221.13295	3.4
227.10835	3.5
237.12833	13.5
238.13182	1.1
239.14412	47.6
240.14771	4.5
255.13889	1.1
257.15482	5.5
283.13373	11.0
284.13882	1.1
301.14508	3.8
313.03885	0.7
345.13416	100.0
346.13733	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	345.1554
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01875	1.9
57.03437	2.0
59.01379	100.0
60.01712	1.3
63.56717	1.0
69.30656	4.1
71.01382	46.8
72.99289	1.2
73.02940	5.8
83.01399	5.4
85.02948	16.3
87.00893	1.5
89.02447	42.9
95.01376	4.4
97.02959	1.2
99.00897	1.7
101.02447	37.3
113.02447	19.1
116.87785	1.0
119.03487	19.5
121.10224	10.4
131.03520	1.4
139.11276	1.8
143.03517	1.6
149.04605	1.7
152.91298	1.0
157.29016	0.9
161.04553	1.9
165.09210	1.6
179.05699	1.0
183.10287	1.5
281.20630	1.1
345.15527	95.9
346.15936	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	345.156
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01878	1.9
57.03449	1.6
58.00574	1.8
59.01380	100.0
62.72306	1.1
71.01384	45.0
72.99303	1.6
73.02944	6.3
83.01386	4.7
85.02956	14.8
87.00877	1.5
89.02447	41.3
95.01378	2.8
95.41235	1.1
99.00872	2.8
101.02452	34.4
102.58270	1.2
104.60569	1.2
113.02450	17.5
119.03504	18.9
119.93847	1.2
121.10263	7.5
123.04554	1.4
143.03485	1.8
161.04611	3.0
165.09163	1.5
178.62668	1.3
179.05573	2.3
183.10240	2.2
345.15527	69.5
346.15778	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	345.1553
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
55.01883	0.8
57.03435	2.0
58.00597	0.8
58.99591	0.8
59.01379	87.7
60.01722	1.2
69.55510	1.6
69.55894	2.1
71.01384	42.3
72.99301	2.3
73.02951	3.0
83.01391	4.0
85.02954	8.6
87.00892	1.8
88.60634	0.7
89.02446	38.9
95.01392	4.1
95.87087	0.7
98.08953	0.6
98.21821	1.1
99.00902	1.3
101.02441	29.6
102.98582	1.9
105.34285	0.7
113.02459	14.3
119.03497	18.1
121.10236	4.8
121.38829	0.8
123.04498	2.0
131.03520	1.3
143.03497	1.6
149.04567	1.7
161.04555	2.2
165.09213	6.5
166.09561	0.9
179.05635	1.6
183.10249	1.9
205.28818	0.8
265.06192	1.0
279.07666	1.0
280.08472	4.6
289.07147	1.2
332.40964	0.7
341.23172	0.8
345.15552	100.0
346.15878	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15772	2.6
53.29483	3.4
57.03444	5.3
59.01372	9.9
60.03880	2.9
66.08816	3.5
67.66599	2.7
81.03462	10.1
81.45668	3.3
83.05032	3.8
85.02979	3.8
95.05044	4.8
97.03002	4.0
98.01122	3.1
107.05037	4.3
109.02972	15.5
109.06647	3.1
111.04556	6.6
123.04556	7.1
175.11234	3.7
189.12943	4.0
191.14424	18.5
191.15909	3.0
229.16202	5.3
257.19077	13.3
265.05316	3.2
301.18057	100.0
302.18365	11.0
345.17065	80.2
345.23517	4.4
346.17456	7.1
366.90265	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	345.1707
Annotation	CHEBI:67672
Peak:m/z	Relative Intensity
59.01386	1.3
59.78370	0.7
79.05518	0.6
93.55982	0.7
96.67881	0.6
99.24277	0.6
103.44014	0.7
109.02957	0.7
123.04531	1.2
125.06050	1.0
187.11270	1.0
215.59395	0.7
217.16005	1.0
227.14432	1.9
230.13116	1.0
239.00957	0.7
244.29936	0.8
245.15477	13.0
246.15842	1.0
248.96127	0.7
255.17500	2.2
271.13379	10.0
272.13666	0.7
283.16861	0.8
289.14478	18.5
290.14731	2.1
301.18301	1.2
309.15060	1.2
327.15948	3.4
345.17047	100.0
346.17313	11.9
351.93735	0.7
357.34180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1711
Annotation	Epirosmanol
Peak:m/z	Relative Intensity
57.03453	25.3
59.01392	17.8
60.34886	6.9
61.98830	9.3
75.26687	9.5
85.02968	12.7
99.02137	7.5
123.04515	12.3
132.98152	9.0
134.26187	8.2
144.77362	7.0
243.13914	24.2
245.91678	7.3
253.28940	7.4
255.17609	8.1
301.18036	35.0
327.90305	9.1
345.17072	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	23.9
61.98832	12.7
69.98648	29.2
74.76810	9.9
97.02928	21.5
98.21705	10.0
117.27616	8.3
120.42850	8.9
123.04525	14.1
125.09751	11.5
131.58597	8.1
141.17311	9.5
147.75215	8.9
165.35661	8.7
171.10237	32.6
185.11855	14.7
211.13429	14.7
290.97198	10.3
291.19553	53.3
303.39630	11.4
309.20743	100.0
310.21213	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45378	4.1
56.66938	3.4
69.69572	12.9
97.19379	3.5
98.21999	6.7
104.03947	4.6
119.78198	3.7
181.12389	3.4
198.06006	3.9
200.10597	4.3
201.11227	3.9
289.18042	7.0
307.18985	8.0
309.20682	100.0
310.21045	8.6
315.14868	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	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96019	33.0
57.91794	34.7
67.31489	26.3
67.35563	24.5
69.24932	63.5
69.25315	52.7
73.16250	27.8
84.82042	26.9
98.21890	54.3
111.04523	50.8
122.20705	32.2
123.04536	39.9
148.53757	30.1
187.61002	27.2
291.19757	63.0
303.19815	51.4
309.20755	100.0
345.20667	42.7
345.24619	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87779	6.6
59.01377	8.8
61.98795	7.6
69.57515	5.9
69.57845	22.0
83.43438	5.4
117.07317	6.7
119.08636	8.7
123.04507	7.7
137.09732	18.5
150.79576	5.5
171.10217	35.7
185.11790	8.7
290.97049	6.1
291.19543	16.5
292.16476	5.9
292.19724	6.9
296.62473	6.6
309.20703	100.0
310.21072	8.6
345.24506	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70481	11.9
58.12362	12.3
59.01375	26.7
61.54694	10.6
63.28059	13.2
71.01337	12.0
71.42088	11.3
99.28820	12.9
123.04552	15.6
146.29378	10.8
195.13707	12.5
229.59839	12.4
291.19641	92.0
301.18118	53.1
309.20703	100.0
313.17834	31.8
345.16818	20.1
345.20538	48.2
345.24387	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	345.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.9
61.98807	29.8
62.17520	13.0
63.04125	13.2
63.84329	13.0
69.77993	25.4
69.78346	37.2
69.99350	12.2
75.14788	11.8
85.06616	18.0
97.02962	17.2
108.10399	12.5
123.04484	16.7
137.09752	19.4
149.84201	14.8
171.10262	15.5
263.16476	37.0
291.19556	27.8
309.20718	100.0
345.16907	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46244	7.2
59.01386	17.0
69.65979	9.9
69.66335	28.0
70.84351	7.1
75.61699	8.6
81.62460	7.1
110.88483	7.5
123.04482	13.0
129.30945	7.6
137.09744	13.3
166.62804	7.5
168.23299	8.6
171.10271	17.7
250.90575	7.4
259.23679	7.6
291.19797	12.2
300.44940	8.4
309.20651	100.0
309.83411	8.1
310.20975	13.8
345.24158	10.8
349.46228	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.77562	0.3
55.57975	0.3
57.03446	0.7
58.00594	0.9
59.01383	3.5
60.26530	0.3
65.33173	0.3
69.03448	0.8
70.69442	0.3
70.99702	0.7
71.01384	1.2
73.02953	2.8
81.03479	0.3
83.05025	1.0
83.35152	0.3
84.02152	2.0
85.81027	0.4
96.46224	0.4
99.08158	3.1
111.04552	0.5
111.08180	0.8
113.09723	4.5
121.05314	0.4
123.04501	0.6
125.09730	4.6
127.07673	0.4
127.11299	2.6
129.09219	2.5
137.09691	2.3
137.39532	0.3
139.11296	0.5
141.09235	4.2
141.12897	0.6
142.71422	0.3
143.10793	1.6
153.09206	0.8
153.12857	0.8
155.10820	2.3
157.12367	0.4
159.01746	0.3
163.11319	0.4
165.12817	0.7
167.10818	0.6
169.12320	1.2
171.10275	30.4
172.10626	1.6
179.10800	0.4
183.10297	0.5
185.11824	6.9
186.12256	0.5
197.11838	6.2
199.13373	0.8
201.11322	9.0
202.98788	0.4
203.12863	1.1
209.11868	1.9
209.13570	0.4
213.11382	1.9
215.12897	4.9
227.12915	1.6
243.13927	0.6
245.13864	0.4
248.96091	0.4
291.19699	1.2
301.18216	0.7
309.20749	0.9
315.65613	0.3
325.19940	0.6
327.21808	5.2
328.22131	0.9
345.22818	100.0
346.23151	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.0
59.01378	4.2
61.12086	1.5
61.98805	1.8
70.90076	2.3
71.01398	1.9
71.05025	5.4
79.42461	1.5
80.02682	5.7
81.03446	2.7
83.05014	9.3
84.02169	30.0
87.31648	1.3
95.04999	1.8
97.06552	1.7
99.08152	3.8
124.52322	1.5
125.09731	4.3
127.11308	11.5
128.39853	1.4
129.09212	1.9
129.87869	1.7
135.08142	2.7
137.09732	38.0
139.11349	1.8
141.09235	2.6
155.10793	38.0
163.11304	6.7
165.12856	3.6
171.10280	100.0
172.10631	3.6
185.11852	5.2
197.11812	3.3
201.11340	4.3
209.09830	2.9
209.11841	60.9
210.12193	3.9
213.11279	3.2
216.90671	1.7
253.65547	1.7
260.98407	1.5
288.67221	1.8
327.21872	1.7
345.22784	16.0
348.51666	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	345.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.4
57.03462	1.7
59.01367	1.9
63.43195	1.3
69.09040	9.5
71.05009	5.1
80.02679	4.8
84.02168	30.8
85.02940	2.6
98.22668	2.9
99.08150	4.0
125.09727	3.1
127.11282	9.6
137.09721	37.8
155.10793	43.2
156.11116	3.2
171.10275	100.0
172.10568	5.2
198.95091	1.4
201.11250	3.7
209.11882	2.9
213.11403	3.4
230.77145	1.3
248.81262	1.4
251.40010	1.6
328.25311	1.5
344.21475	1.6
345.22656	8.0
352.81616	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2282
Annotation	oscr#20
Peak:m/z	Relative Intensity
50.90954	0.5
57.03429	1.1
59.01371	1.8
61.98820	0.8
62.78514	0.6
70.90379	0.8
82.25660	0.6
83.05007	0.8
99.08138	4.6
111.08169	2.5
113.09724	0.7
121.25747	0.6
123.04535	1.2
123.08169	4.6
125.09718	1.2
125.46549	0.6
127.11327	3.0
137.09767	0.8
139.11293	17.2
140.11627	0.8
141.09210	7.3
147.43611	0.5
151.11261	0.6
155.10774	1.4
157.12367	4.5
166.12950	0.5
171.10233	0.8
181.12411	1.5
187.09744	11.6
201.11285	2.1
229.14484	0.9
345.22800	100.0
346.23178	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	346.0116
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	78.0
60.01713	8.4
61.01797	2.8
61.98831	100.0
69.12934	0.6
70.09259	0.6
82.83733	0.6
85.57806	0.6
92.53467	0.6
98.40075	0.6
99.76534	0.5
127.39864	0.5
134.78734	0.6
157.03552	1.6
158.03674	2.1
159.03291	2.7
160.03680	0.7
161.01202	1.0
201.02573	10.3
202.02721	35.1
203.02287	41.8
203.99898	43.3
204.02634	13.7
205.00143	3.9
205.02695	1.2
346.03387	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	346.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.4
71.01381	0.9
71.43481	0.4
78.95904	100.0
85.02953	0.7
96.96963	23.2
99.00888	0.7
107.03641	1.2
111.00874	2.3
121.27009	0.4
129.01967	0.9
130.73860	0.3
133.01534	0.8
134.04732	18.7
135.05106	0.4
138.98055	1.0
142.99896	0.6
150.04250	1.3
150.98015	1.7
164.71095	0.3
166.97517	0.7
173.00961	0.5
190.02174	0.3
192.98994	0.4
202.08543	0.4
211.00125	21.9
212.00624	0.4
248.05539	0.6
248.92137	0.8
324.27975	0.4
346.05560	33.7
347.05838	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	346.0558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85251	0.5
53.78802	0.4
59.01363	2.4
61.98825	1.6
62.96419	1.6
64.51586	0.5
69.57960	1.4
73.95699	0.5
78.95905	75.2
92.02555	0.6
96.96960	16.0
98.22012	0.6
107.03623	2.3
111.00878	0.9
120.96994	5.0
125.03568	1.2
125.15652	0.5
134.04735	38.3
135.05110	1.1
174.14713	0.4
192.99214	0.5
197.72963	0.5
203.02333	0.8
204.00044	0.6
211.00124	100.0
212.00500	2.4
221.16638	0.4
346.05594	15.1
346.09848	0.9
347.05939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24873	13.1
59.01384	100.0
59.83466	11.3
59.83828	13.4
61.98829	86.1
71.01365	32.1
74.99113	13.2
89.02390	14.2
101.02449	16.9
115.66704	13.4
124.07623	13.1
134.05692	15.5
136.99168	27.9
150.09636	13.0
156.94276	11.8
184.10562	24.8
190.95886	13.8
302.12372	18.6
346.11340	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.2021
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
52.29250	1.0
56.41615	1.0
65.19130	1.0
66.97449	0.9
67.01891	3.9
69.30882	6.1
69.38979	1.3
80.05058	3.9
95.05038	1.6
96.04536	1.3
98.21865	2.0
107.03755	4.4
108.04555	12.6
125.04817	2.3
126.05610	81.2
127.05923	1.7
137.06073	1.7
162.28333	1.3
205.12234	3.1
219.13887	1.6
220.14502	1.4
232.50949	1.1
284.20288	5.9
285.18625	4.2
299.20126	10.3
300.20883	23.3
301.18027	1.8
301.21368	2.8
302.21106	1.7
319.22693	1.5
346.20203	100.0
347.20444	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	346.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94832	0.6
67.01884	3.0
69.27846	4.0
71.79378	0.7
80.05054	2.4
80.83295	0.6
83.05024	1.2
90.03551	0.7
98.21889	1.5
103.31161	0.7
108.04553	7.5
126.05612	91.0
127.05945	2.5
205.12344	2.7
219.13968	0.9
220.14612	1.2
256.07187	0.8
259.71234	0.6
285.18542	1.1
292.14975	0.9
292.96716	0.7
297.67279	0.7
346.20218	100.0
347.20569	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	346.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
75.30185	2.4
83.05032	50.9
83.05490	4.7
177.04190	2.1
180.86731	2.3
193.45885	2.5
251.26088	2.4
259.20782	3.4
274.23984	2.4
303.19656	100.0
304.19958	12.3
309.20740	3.7
311.22211	10.1
319.22870	12.8
346.20255	7.5
347.22122	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	346.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72063	3.7
59.01377	3.9
61.22652	3.6
69.15549	10.7
69.15955	12.5
70.11816	4.4
81.61096	4.4
88.46372	3.8
98.21941	7.8
137.70744	3.7
180.42476	3.9
227.59184	5.0
241.66211	4.4
259.20584	8.3
303.19638	100.0
304.19971	9.0
319.22809	27.7
346.20612	8.0
347.22104	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	346.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.15414	6.3
61.98827	14.9
63.26617	7.2
65.03948	10.2
72.25362	5.8
79.55696	4.9
82.51067	6.4
85.47420	6.1
89.03970	100.0
104.53825	6.3
107.03777	16.5
113.08229	7.1
115.05553	40.7
118.94226	9.7
120.04578	10.6
129.10143	6.6
130.06647	11.3
131.24873	6.9
143.52130	5.7
144.04604	5.8
144.82999	7.5
145.06642	9.4
157.05327	59.5
158.06119	82.0
168.13928	27.3
231.11420	20.4
245.19083	21.0
257.19067	14.0
275.19995	16.2
300.19571	12.4
301.18027	54.0
302.18277	8.9
302.21387	23.3
319.19122	14.4
328.19162	67.6
346.20215	66.1
347.17651	89.9
347.21921	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	346.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19686	4.2
61.98840	7.1
67.66386	4.3
70.18810	12.2
83.05022	66.0
93.27750	3.7
96.09191	4.2
102.95720	4.0
107.90261	4.0
148.63698	4.2
270.66031	4.0
303.19659	100.0
304.19934	9.7
344.53741	4.4
347.22205	9.3
356.69836	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	346.2023
Annotation	CHEBI:69895
Peak:m/z	Relative Intensity
50.07977	1.9
53.46371	2.6
59.01328	2.4
61.98819	5.5
68.99819	4.2
69.03461	4.9
71.23853	2.7
73.06256	2.2
83.44322	1.8
84.13920	1.9
84.51605	2.2
107.03777	22.5
108.04556	5.3
114.34409	2.1
219.17238	2.3
238.15945	3.6
245.19098	37.8
246.19376	2.8
257.19125	28.2
275.20078	22.2
284.16663	4.5
284.19772	3.8
300.19601	15.5
301.18051	86.3
302.18283	7.4
302.21286	40.7
303.21631	4.3
319.19250	18.1
328.19168	100.0
329.19321	11.9
346.20261	95.8
347.20639	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	347.1249
Annotation	Achillamide
Peak:m/z	Relative Intensity
59.01381	38.4
61.98833	3.9
67.81613	1.6
69.34171	10.4
71.01374	11.1
73.02943	3.0
74.10128	1.8
77.39353	1.8
85.02957	4.2
87.00838	2.0
89.02451	6.0
96.04567	11.7
98.22628	4.5
101.02448	5.8
108.04585	3.9
110.06097	3.6
113.02489	4.9
119.03448	2.1
119.05015	6.0
120.08191	12.4
122.02514	4.1
122.06095	3.9
123.03260	8.1
124.04045	51.6
135.05634	4.1
136.07672	14.0
148.07695	9.3
150.09285	2.5
152.03616	2.3
152.07173	5.1
161.04568	3.2
163.04095	2.5
174.09274	2.7
184.11357	3.5
185.08296	2.3
185.11771	2.0
201.10385	5.4
207.80690	2.1
217.09796	2.1
217.13617	3.4
225.10330	2.2
227.12051	4.0
243.11487	3.6
244.12282	4.1
245.12982	2.7
253.35522	2.0
259.14539	33.4
260.14835	4.0
261.12387	9.7
285.12433	1.9
287.10495	4.3
289.11932	31.1
290.12268	2.4
317.11407	26.2
329.11456	3.7
347.12521	100.0
347.16962	8.5
348.12909	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	347.1249
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.45345	2.2
59.01376	24.3
69.68819	3.7
69.69205	3.8
71.01384	10.7
76.91796	1.6
77.91389	1.6
83.05046	2.1
85.02953	3.4
89.02436	3.9
101.02431	5.3
103.47675	1.7
107.34028	1.7
113.02464	3.1
116.18777	1.6
122.06132	5.5
132.92429	1.6
145.05063	1.8
150.05571	2.7
152.83801	1.7
173.29959	1.9
191.33464	1.8
201.10350	3.6
207.42209	1.9
229.09924	9.1
229.13428	4.0
239.11906	5.4
243.11264	2.0
245.13196	1.8
248.62320	2.0
250.25932	2.1
255.11441	2.7
257.09430	3.9
259.10861	2.3
267.11401	5.5
268.00269	2.0
285.12576	4.0
301.08502	2.4
301.11978	6.0
317.10797	1.9
319.12912	7.4
329.11426	4.2
347.12381	100.0
347.16931	23.9
348.12982	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	347.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
58.00605	1.0
59.01381	46.7
60.13391	1.0
61.75513	1.1
63.18586	0.8
69.60347	3.8
71.01381	23.7
72.99303	1.7
73.02953	3.4
82.18417	1.0
83.01399	1.7
85.02959	7.0
87.05612	0.8
87.43100	1.0
89.02445	15.8
89.48051	0.8
90.23661	1.1
101.02442	16.2
113.02448	8.9
116.68233	1.0
119.03463	5.0
130.08739	1.2
143.03525	1.0
161.04649	1.7
167.10773	5.1
179.05791	1.0
185.11868	1.7
219.06357	1.3
308.28503	1.1
347.17099	100.0
348.10565	3.9
348.17346	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	347.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	4.3
57.03449	3.1
59.01379	30.1
64.34214	1.5
71.01378	29.5
73.02952	14.4
83.01379	11.8
85.02941	17.2
86.00118	2.0
95.01400	2.0
96.96033	1.8
99.00874	3.7
101.02448	30.0
113.02451	14.0
137.86107	1.9
149.06055	2.2
159.02924	2.2
161.04558	6.3
256.93698	1.7
303.18085	2.8
347.17120	100.0
348.17474	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01880	4.4
57.03439	3.3
59.01381	75.3
61.98822	2.2
69.11880	7.8
69.12278	2.2
71.01384	86.3
71.05021	4.2
72.99276	1.9
73.02945	14.3
83.01393	5.8
85.02958	15.9
85.06602	2.8
87.00875	3.7
89.02439	22.1
95.01395	2.4
96.95993	7.5
99.00867	4.2
101.02442	35.0
113.02459	17.5
113.06084	4.1
114.93388	2.5
119.03512	7.6
119.05016	2.1
131.07138	15.9
141.98236	10.1
143.10751	2.0
159.03047	2.0
161.04579	10.2
167.10876	1.4
185.08240	1.6
185.11856	14.1
187.98744	10.0
275.11441	9.9
304.05005	18.9
305.16010	21.0
347.17078	100.0
348.17538	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	347.171
Annotation	Kankanoside E
Peak:m/z	Relative Intensity
55.01871	1.3
57.03432	0.9
59.01381	30.8
62.21548	0.3
68.59237	0.4
69.03441	0.3
70.99250	0.6
71.01384	20.3
72.99313	0.8
73.02939	3.6
83.01381	2.8
85.02951	7.0
86.00086	0.6
87.00888	0.9
89.02448	8.5
95.01392	1.7
96.95981	0.5
99.00891	0.9
101.02442	11.9
111.00846	0.4
113.02452	5.0
119.03477	2.1
125.02412	0.3
138.40195	0.3
141.09216	0.7
159.02939	0.3
167.10762	3.4
185.11833	6.8
186.12105	0.7
327.91800	0.4
329.16122	1.9
339.47769	0.4
347.17102	100.0
348.17477	8.9
348.21472	0.5
354.49698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09952	0.9
59.01381	12.8
60.56324	0.9
61.98822	2.8
71.01385	2.6
73.02943	9.9
75.00882	2.5
83.01386	1.2
85.77940	1.0
85.95041	0.9
97.92667	0.9
99.04383	1.1
99.53208	1.0
101.02464	2.9
106.94308	1.1
110.92473	0.9
111.04511	2.0
113.02456	1.6
143.10777	100.0
144.11131	4.1
157.12343	2.8
162.76596	1.0
165.25177	0.9
167.10841	1.1
169.12164	1.0
185.11858	2.9
197.11821	3.0
215.12901	1.8
265.36502	1.0
285.18729	1.3
303.19769	1.5
347.18573	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	347.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04639	1.7
55.24721	1.5
59.01382	8.6
61.98817	9.9
69.03457	1.9
69.38942	6.3
70.31263	1.6
71.01373	2.6
73.02935	6.0
83.05043	1.9
84.02155	4.3
87.09092	1.4
129.54292	1.4
143.10777	100.0
144.11153	3.7
147.45967	1.4
157.12302	2.0
159.08171	6.5
174.10486	2.3
189.12856	16.7
218.02654	1.6
259.17014	1.5
268.76547	1.6
270.22842	1.8
275.20096	1.8
285.18500	2.5
303.19672	7.9
347.18661	31.3
361.15546	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1862
Annotation	Gibberellin A110
Peak:m/z	Relative Intensity
57.03433	2.9
59.01374	7.8
61.98829	10.2
69.03487	2.4
69.15646	1.9
69.16041	4.3
71.01378	1.7
73.02942	6.9
80.02678	1.0
83.01373	2.1
84.02161	14.8
85.02943	1.2
87.04515	1.9
88.81101	1.0
101.02467	1.8
107.05015	4.0
109.06596	1.4
115.95791	1.0
135.04523	1.7
143.10773	100.0
144.11095	5.5
155.03491	1.3
157.12384	2.0
159.08142	19.7
160.08542	1.5
173.09634	1.5
174.10561	2.7
175.11240	1.2
185.11812	1.3
188.08348	1.7
189.12859	47.9
190.13203	2.5
191.14436	2.2
197.11833	1.8
229.16000	2.7
247.17255	1.2
251.14455	1.7
257.19089	3.8
259.17078	5.0
267.17526	4.2
275.20038	2.1
285.18671	11.5
303.19650	22.5
304.20096	3.5
347.18607	87.8
348.18890	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	347.1863
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
53.13607	0.5
58.10800	0.5
59.01374	11.0
63.50125	0.5
64.00636	0.5
69.57442	1.9
71.04985	0.8
83.05032	5.4
85.06596	1.7
149.05327	0.5
155.08682	1.1
161.02205	0.5
163.03181	0.5
163.07445	0.7
238.08209	3.1
239.08997	1.3
243.15041	1.2
243.17537	23.1
244.17914	2.5
250.62462	0.6
257.19159	1.1
259.20667	15.5
260.21063	1.6
275.20218	1.3
287.16489	3.9
303.19662	41.4
304.19980	3.7
317.21198	0.8
329.17569	0.7
347.18628	100.0
348.18942	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	347.1863
Annotation	SPHAEROPSIDIN B
Peak:m/z	Relative Intensity
57.03450	13.8
58.00597	8.4
59.01370	4.1
61.98814	1.7
66.45171	1.5
69.14323	3.1
69.14725	6.8
71.01363	1.9
83.05049	2.2
85.02952	5.6
87.04518	100.0
97.80859	1.9
98.03770	2.3
107.05019	4.7
189.12871	5.2
285.18478	3.3
303.19647	5.0
347.12302	3.7
347.18634	83.2
348.18909	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	347.1863
Annotation	sinularolide B
Peak:m/z	Relative Intensity
52.78558	0.7
69.03447	1.8
71.17915	1.1
81.03461	1.0
83.05030	8.2
85.02942	1.1
87.39549	0.7
93.03450	0.9
97.02950	5.7
98.51277	0.7
107.91956	0.7
109.02950	5.0
110.03727	2.9
111.04513	8.0
132.85570	0.8
181.51846	0.9
191.14536	1.3
243.17575	1.1
247.20782	2.2
257.19107	1.7
259.20660	2.2
261.14792	0.9
269.15475	0.8
275.20078	2.4
285.18723	5.3
288.20880	1.1
303.19638	16.0
303.23001	0.6
304.19864	1.7
317.17633	2.0
319.22620	1.1
329.17633	1.1
347.18616	100.0
347.21777	4.4
348.18881	12.0
348.22537	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1866
Annotation	Neocaesalpin H
Peak:m/z	Relative Intensity
50.39130	2.6
53.55359	2.6
54.61006	2.6
59.01382	5.6
63.59416	2.4
63.66008	2.6
80.54729	2.3
87.80384	2.8
95.05069	3.2
107.05028	3.1
115.34590	2.7
121.87401	2.8
172.11008	2.8
182.19377	3.1
191.14381	14.3
259.20642	24.3
260.20981	3.3
303.19702	22.9
329.17609	3.6
347.18634	100.0
348.19031	11.3
349.61465	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	347.1863
Annotation	Tricholomalide A
Peak:m/z	Relative Intensity
59.01373	1.6
60.10603	0.8
61.98828	5.1
67.53159	0.8
83.05024	5.3
85.06562	1.5
98.22713	1.4
136.84756	1.0
196.49388	1.0
219.17424	1.1
235.29147	1.0
243.17497	7.5
244.17731	1.2
245.19102	1.6
257.19095	1.2
259.20596	7.1
263.16510	1.6
268.07837	0.9
273.22275	2.2
289.17993	6.9
303.19635	19.5
304.19986	2.9
309.20804	2.8
311.22290	1.3
317.21188	3.8
329.17575	1.1
329.21378	1.5
347.14069	8.1
347.18576	100.0
347.22217	6.3
348.14685	1.5
348.18771	10.7
348.21933	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02961	23.5
60.91069	19.2
95.50121	20.0
168.13943	100.0
206.21475	20.5
274.06531	18.8
292.45316	20.5
304.19064	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98803	15.1
71.19081	16.6
71.72713	11.8
78.30927	11.3
109.04655	12.9
116.66753	11.5
119.94749	11.5
130.35614	11.1
171.10263	25.0
240.06499	11.8
249.14944	21.6
258.76697	11.4
293.21259	41.3
309.20639	24.5
309.57117	11.6
311.22339	100.0
312.22678	16.9
315.30002	11.3
347.18390	50.8
347.22220	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	347.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02965	31.6
59.01365	16.9
65.04002	21.5
65.52560	16.4
69.72087	59.1
71.47377	18.5
85.00439	52.7
89.03968	74.6
91.40873	16.1
107.10675	16.8
112.54213	16.6
157.05376	38.4
158.06108	51.4
161.25342	18.2
168.13945	100.0
202.98904	18.3
209.08017	17.9
231.11530	19.5
293.21213	29.0
311.22171	53.8
347.18317	80.2
348.22028	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2222
Annotation	2-O-Methylfloridicin
Peak:m/z	Relative Intensity
69.54880	4.6
92.81779	1.1
98.21922	2.1
121.24254	1.1
171.10248	1.8
289.13660	1.5
291.19470	1.3
301.21637	3.7
309.20740	12.6
311.22409	6.8
319.22781	100.0
320.23077	13.6
328.64972	1.2
347.22263	29.5
348.22449	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	347.2226
Annotation	2-O-Methylfloridicin
Peak:m/z	Relative Intensity
59.01369	1.5
64.21794	1.4
69.97845	1.3
97.08603	1.3
99.41222	1.3
218.88132	1.2
228.80237	1.4
265.14429	2.6
301.21603	3.9
319.22763	100.0
320.23187	11.5
347.18472	1.6
347.22333	21.1
347.26047	3.4
348.22333	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	348.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03869	10.5
59.01374	100.0
61.98821	21.9
69.61153	57.0
71.01378	37.2
85.02967	17.0
86.80982	12.0
101.02444	18.5
113.02435	15.9
124.62775	13.0
125.52356	12.3
130.79340	12.4
143.10767	44.6
161.04538	14.5
191.14352	12.9
223.84082	11.5
314.46863	11.6
321.62262	12.5
348.21970	16.5
349.19934	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.9861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16845	0.3
59.01375	1.2
61.98829	100.0
62.98541	0.4
63.99247	0.9
69.87998	0.9
98.22562	0.5
126.52941	0.3
162.98470	1.3
164.96298	0.4
186.88275	0.3
204.00005	1.6
205.00154	3.3
205.02173	0.4
205.99756	5.6
206.82521	0.4
206.97443	56.2
207.93388	0.8
207.97556	4.9
245.15381	0.3
348.98367	0.6
352.65906	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70518	0.8
56.27785	0.9
59.01387	8.6
61.98833	4.3
68.05050	1.5
71.01387	2.4
71.41953	1.2
74.95282	0.9
94.06625	14.1
96.96037	1.7
99.92603	2.1
100.68635	0.9
100.93375	1.2
101.02442	1.8
107.60142	0.9
108.04556	4.4
115.92077	3.9
116.92863	6.7
122.06124	100.0
123.06460	4.2
124.04020	1.2
136.04030	2.9
136.07886	1.0
147.05675	2.4
148.07674	5.0
166.05086	15.3
187.98575	1.2
188.00012	1.8
200.10898	1.1
215.11731	1.1
216.10291	2.9
217.13445	26.7
218.13815	1.8
225.10397	1.0
243.11357	30.4
244.11736	3.4
261.12436	23.9
262.12823	2.0
287.10379	12.3
288.10730	1.5
298.26877	0.9
305.11417	17.4
306.11603	1.2
349.09787	1.3
350.05093	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	349.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46428	10.7
59.01379	13.0
62.83578	10.9
69.65720	29.2
69.66111	24.4
109.13007	11.2
112.22095	12.2
189.45093	12.5
191.14412	18.4
255.89400	11.6
313.29926	13.1
349.20105	100.0
358.88370	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46428	10.7
59.01379	13.0
62.83578	10.9
69.65720	29.2
69.66111	24.4
109.13007	11.2
112.22095	12.2
189.45093	12.5
191.14412	18.4
255.89400	11.6
313.29926	13.1
349.20105	100.0
358.88370	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03800	1.5
57.83231	1.3
58.26880	1.5
59.01379	100.0
61.98831	3.2
63.03117	1.5
63.89856	1.5
71.43707	1.6
74.58254	1.5
91.24317	1.5
122.06107	3.5
150.05615	3.0
184.08054	1.4
198.07761	2.4
212.55386	1.4
349.03140	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	349.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.3
59.01385	4.6
67.86478	0.3
70.92153	0.4
71.01385	1.6
73.02933	0.5
78.03547	0.3
85.02965	1.0
89.02459	0.7
96.96017	0.6
97.06582	4.9
101.02449	1.2
113.02434	2.0
119.94507	0.4
123.08148	2.8
125.09727	49.1
126.10059	2.4
143.10826	1.0
148.07608	0.4
152.03519	2.2
165.09277	0.3
167.10793	0.7
168.74136	0.3
169.08702	1.1
187.09763	100.0
188.10101	4.5
201.11296	1.9
211.09741	3.5
229.10857	2.4
263.02277	0.6
311.02383	0.4
316.88828	0.4
349.14771	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93573	0.4
51.91805	0.3
59.01381	100.0
60.01715	1.5
70.65920	0.7
71.01389	1.7
85.02955	0.8
89.02471	0.7
100.66887	0.4
101.02444	1.4
102.05608	0.5
103.70045	0.4
109.64014	0.3
113.02485	1.3
119.03548	0.7
127.07659	40.2
128.08022	1.5
146.04623	0.5
147.46983	0.3
154.60844	0.4
161.04529	1.8
169.08763	0.6
252.39642	0.4
265.93808	0.4
289.12946	0.7
340.49731	0.4
349.18454	0.4
369.55719	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1656
Annotation	Leucanthanolide
Peak:m/z	Relative Intensity
59.01379	1.4
69.03450	0.4
80.02685	1.4
81.03454	0.7
92.64923	0.5
102.05628	1.3
103.31359	0.4
110.03698	0.4
123.08189	1.2
128.03514	0.4
137.09732	1.7
148.42766	0.5
203.14488	0.7
217.16051	0.7
231.17531	5.1
232.17987	0.4
241.16016	2.6
242.51402	0.4
243.13911	8.7
243.17543	9.2
244.14378	0.6
259.17007	13.0
260.17346	1.4
261.18567	6.8
262.18951	0.9
277.18073	1.2
287.16458	1.4
303.15985	1.9
305.17581	32.8
306.17871	3.2
331.04382	0.5
349.16559	100.0
350.13550	0.5
350.16919	11.5
350.21198	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	17.2
61.98797	4.8
69.86772	12.3
71.05007	6.5
79.24243	4.1
83.05035	7.1
97.06618	5.0
98.22514	4.8
103.40829	4.8
219.51248	4.6
259.20584	14.9
261.22244	13.8
273.18695	4.5
275.23859	9.4
287.20279	6.2
305.21295	23.7
317.17596	7.7
319.19061	5.2
349.20129	100.0
349.23895	12.0
350.20248	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	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94615	1.2
53.29279	1.1
57.03429	2.2
58.23677	1.2
59.01379	3.4
60.10219	1.2
61.98824	2.8
62.65653	1.4
69.65028	5.0
72.81124	1.2
75.30541	1.1
92.92792	1.2
95.05046	2.0
96.77765	1.3
97.06583	2.4
107.04293	2.1
107.05031	38.1
108.05348	2.1
108.22893	1.2
109.06635	7.0
121.06615	1.7
141.86867	2.6
160.84189	3.7
177.84520	5.7
183.88985	1.6
191.14409	6.7
205.15948	2.4
237.58492	1.2
243.17538	5.3
245.19096	4.8
257.19086	2.7
259.17068	1.9
269.19058	23.3
270.19400	2.6
275.20187	2.0
287.20200	6.3
322.77701	1.4
349.16733	5.2
349.20190	100.0
350.16571	2.0
350.20502	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	349.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85944	1.4
57.03458	11.0
59.01169	1.0
59.01386	11.8
61.98839	1.8
65.64636	1.1
67.42238	1.2
71.01375	1.4
71.05040	1.5
72.18589	1.2
79.49029	1.3
81.03472	1.2
87.04511	5.4
95.05029	4.0
107.05048	12.2
109.06580	3.3
121.06584	1.8
132.77586	1.2
135.08148	1.5
159.08206	1.7
161.09663	1.8
177.12836	4.5
189.12881	4.5
191.14397	9.5
205.15909	7.0
217.16005	10.7
224.20555	1.3
243.17497	1.5
245.19098	3.2
257.19131	5.8
259.17035	5.9
269.19037	9.1
275.20142	12.5
287.20300	2.2
305.21286	2.4
349.20203	100.0
350.20526	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	349.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62553	0.8
55.01848	1.0
55.30335	0.6
57.03446	7.8
58.00586	0.8
59.01368	1.6
69.86098	2.0
71.01352	0.7
71.05018	2.5
81.03460	2.1
83.05012	1.1
85.02943	8.7
95.05004	2.4
107.05014	1.4
109.06558	1.5
114.32317	0.7
116.94543	0.9
121.06625	1.3
123.08173	0.9
135.08150	1.3
147.08199	0.8
159.08197	1.0
163.11272	1.2
173.09639	1.3
175.11275	5.4
189.12846	3.7
191.14417	35.1
192.14709	1.6
201.12904	2.2
203.14406	1.5
205.16026	4.3
215.14336	0.9
217.15932	5.2
219.17503	7.4
227.18033	1.1
229.15959	2.8
231.17514	2.8
233.19084	1.2
243.17596	2.0
245.19075	9.5
246.19316	1.0
257.18997	3.7
259.17117	4.1
261.18613	0.9
269.19067	2.1
275.20163	17.6
276.20517	0.9
285.00180	0.9
285.18594	1.0
287.20233	5.3
305.21198	3.5
349.20184	100.0
350.20486	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	349.2021
Annotation	Andrographolide
Peak:m/z	Relative Intensity
57.03446	8.5
58.00596	16.3
59.01368	7.0
61.52781	2.2
69.03452	7.5
69.66953	5.0
80.82899	2.1
81.03470	1.9
83.05025	100.0
85.02946	2.9
87.04528	8.6
87.92917	2.0
88.35457	1.8
96.83325	1.8
98.22646	4.5
107.05041	6.1
109.06601	2.2
111.04495	3.0
113.06091	8.2
137.09712	7.5
143.89536	1.9
171.11723	2.4
191.14435	4.7
193.77457	2.1
194.04021	2.0
202.30910	2.0
238.67426	2.2
243.17532	6.1
245.19077	4.8
247.20679	6.8
249.22115	3.5
257.19162	16.1
259.20602	7.8
261.14874	2.5
269.19061	10.2
275.20120	21.9
276.20554	3.0
277.21497	3.2
287.20224	5.4
289.18085	9.8
305.21286	3.3
307.18890	10.6
319.19077	10.1
331.19260	2.7
349.20175	86.1
350.20609	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	349.2018
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
55.01867	5.0
59.01371	6.1
68.99093	2.9
69.03465	24.2
71.42451	3.2
83.05019	9.4
84.02194	4.6
85.06580	9.8
88.57957	2.9
94.04229	9.1
94.17320	3.3
95.05032	39.4
97.02962	6.7
98.03751	31.1
110.03645	3.2
111.04547	6.1
113.06121	17.1
135.36644	3.1
137.09740	3.5
139.11292	5.4
153.12994	3.1
155.17545	3.0
157.49554	3.6
183.09967	3.5
185.20375	3.5
189.12767	3.7
191.14279	4.7
205.15939	6.9
245.19115	13.2
256.61249	3.8
257.19070	3.8
259.20529	4.5
269.19101	7.3
274.25470	3.5
275.20151	3.8
287.20261	17.4
289.18115	7.5
305.17953	4.1
305.21198	16.9
331.19406	5.0
333.51556	3.6
349.16208	7.5
349.20181	100.0
350.20639	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	349.202
Annotation	Chalcolactone
Peak:m/z	Relative Intensity
57.00880	0.9
57.03440	2.0
59.01379	5.0
69.52493	4.0
81.03395	1.3
85.16171	1.1
95.05022	3.4
97.06610	2.6
106.04219	1.1
107.05034	42.6
108.05383	1.3
109.06592	8.7
118.30092	1.0
159.08215	1.3
160.84363	1.2
177.84421	1.9
191.14427	7.2
205.15967	1.9
241.15927	1.3
243.17467	5.6
245.19084	8.3
257.19122	1.6
269.19113	26.8
270.19620	2.3
275.20132	1.6
287.20154	4.4
349.20190	100.0
350.20535	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	349.2019
Annotation	Pedunculatic acid
Peak:m/z	Relative Intensity
52.82899	1.8
57.03462	2.6
57.18711	1.8
59.01364	2.0
69.37751	6.0
81.03461	7.8
85.06584	2.6
95.05011	3.9
99.04529	5.1
107.05022	5.6
123.08124	2.1
135.08154	3.1
141.86821	6.4
144.42252	1.7
160.84195	11.0
161.09694	5.1
164.33914	1.7
171.78989	1.6
177.12839	7.0
177.84482	9.2
181.40335	1.6
189.12849	4.5
191.14336	3.0
200.24628	2.0
203.14366	3.5
205.15953	27.3
239.10646	2.0
257.19107	10.5
269.19067	8.1
273.49329	2.3
275.20105	13.6
287.20148	5.4
305.21152	6.6
338.61740	1.8
349.20178	100.0
350.20361	9.3
370.83490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.238
Annotation	5-trans U-44069
Peak:m/z	Relative Intensity
50.96234	0.5
65.94083	0.5
69.01446	0.6
70.67177	0.9
72.11808	0.6
83.05044	0.6
92.63130	0.6
95.05030	0.6
97.06596	1.6
167.21333	0.5
177.12285	0.5
205.12311	1.1
239.29494	0.5
259.20654	1.0
263.06290	0.5
273.22250	8.3
274.22672	0.6
305.06946	0.5
307.22678	0.7
311.22211	0.9
320.94974	0.6
349.23840	100.0
350.24158	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	349.2383
Annotation	2beta,3beta-Dihydroxy-ent-cativic acid
Peak:m/z	Relative Intensity
61.98812	0.7
65.31326	0.6
70.05298	1.6
70.74033	0.7
74.54597	0.5
78.54524	0.7
97.06577	2.0
224.78674	0.6
225.76070	0.6
238.06061	0.8
257.19156	1.4
273.22226	19.2
274.22531	1.5
311.22192	3.9
317.21198	23.3
318.21646	3.9
349.23831	100.0
350.24036	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	349.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39206	0.7
58.74326	0.8
59.01392	0.9
61.98827	1.0
62.42269	0.8
66.91940	0.7
71.12611	1.0
81.92387	0.9
91.05515	1.4
103.59765	0.9
119.03516	1.0
130.00179	0.8
160.07646	1.0
171.36481	0.9
231.11481	0.8
305.21289	1.7
311.22189	1.3
319.22705	4.4
349.23837	100.0
350.24200	13.8
363.71146	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
70.96425	0.8
80.80890	0.5
88.00671	0.5
97.06591	2.0
177.74524	0.5
189.04184	0.6
205.12325	0.9
207.44670	0.6
255.21193	0.5
259.20505	1.0
263.16489	0.9
273.22247	18.5
274.22543	2.3
317.21164	0.9
319.22919	1.5
349.23831	100.0
350.20322	0.7
350.24194	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	349.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58288	1.8
57.03447	1.9
59.01391	2.1
61.98812	1.6
67.05536	1.9
69.91151	4.3
76.91921	1.7
83.05011	1.7
149.12277	1.7
153.10260	1.8
198.94301	1.5
211.50604	1.7
248.42805	1.7
264.32217	1.9
273.22369	2.5
287.20016	1.8
289.66602	1.9
311.22681	2.0
313.24115	2.6
349.20441	4.9
349.23853	100.0
349.72455	1.7
350.24274	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	349.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34113	0.6
57.03424	0.9
58.91323	0.5
59.01358	1.2
61.98824	1.8
67.05527	1.2
69.03448	1.4
69.23933	3.4
76.08352	0.6
83.05006	1.0
84.02186	0.8
133.10300	1.2
156.46271	0.6
205.15927	1.4
233.15477	0.9
237.30949	0.7
255.21268	1.2
259.20569	0.9
261.22089	1.0
269.19058	1.8
273.22253	1.1
275.20157	1.0
287.20078	3.0
289.18054	1.8
305.21176	5.3
317.21198	1.6
331.19144	6.7
349.20041	12.9
349.23837	100.0
350.20419	1.3
350.24188	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22618	0.5
59.01381	9.3
61.98824	0.8
69.26173	2.4
71.01382	2.0
73.04060	0.7
74.02462	0.6
84.93903	1.0
87.47104	0.5
89.02440	0.8
91.00124	0.5
91.05568	0.7
96.96038	0.6
97.96527	0.6
99.92589	8.8
100.92694	0.9
100.93358	8.1
101.02466	1.1
115.92085	15.5
116.92866	100.0
117.03458	0.7
117.92892	5.3
125.92865	0.7
126.94901	0.7
138.05621	1.0
161.04469	0.8
166.05139	0.7
168.06743	0.7
169.95555	2.9
170.93915	1.1
212.05643	1.1
244.00662	0.8
245.09521	0.6
259.10895	0.7
269.98764	0.6
287.99667	1.9
299.40427	0.5
307.12976	1.4
320.12521	0.9
349.18466	0.8
349.99911	4.0
350.03726	0.9
350.99649	0.6
351.11856	1.7
351.16348	0.6
371.63245	0.6
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
56.06340	0.5
59.01385	3.6
61.98829	100.0
71.01389	1.3
81.30012	0.6
85.71645	0.6
96.96030	1.0
99.92612	2.0
100.93379	2.2
113.02435	0.6
115.92075	4.5
116.92860	9.6
118.06671	1.1
140.31082	0.5
249.49849	0.7
259.91669	0.7
287.99771	1.4
289.62125	0.7
306.00952	0.7
351.18213	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98838	2.3
68.87534	0.8
69.32463	2.9
69.32870	1.7
79.05541	2.0
84.04547	3.8
85.02943	1.3
95.03784	6.6
95.29826	1.0
96.04556	1.7
100.04041	8.6
102.05610	37.1
108.04556	4.1
110.06068	1.4
119.05209	0.8
121.05339	20.4
126.09240	2.2
128.03534	6.0
131.08731	1.2
133.10233	8.8
138.95634	0.9
146.04634	2.4
148.07658	1.6
159.08153	1.4
160.07610	1.0
161.09724	1.6
170.08244	1.0
176.10806	100.0
177.09341	6.3
177.10997	5.5
181.07436	5.3
192.95895	1.4
202.08688	1.5
205.12051	0.8
205.40546	0.9
218.15511	3.5
221.08224	5.4
225.06277	4.4
244.13329	2.5
244.61594	0.9
262.14462	19.3
263.14758	1.1
288.12430	3.9
306.13437	14.1
350.12424	28.7
351.12695	2.7
351.21896	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	350.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98838	2.3
68.87534	0.8
69.32463	2.9
69.32870	1.7
79.05541	2.0
84.04547	3.8
85.02943	1.3
95.03784	6.6
95.29826	1.0
96.04556	1.7
100.04041	8.6
102.05610	37.1
108.04556	4.1
110.06068	1.4
119.05209	0.8
121.05339	20.4
126.09240	2.2
128.03534	6.0
131.08731	1.2
133.10233	8.8
138.95634	0.9
146.04634	2.4
148.07658	1.6
159.08153	1.4
160.07610	1.0
161.09724	1.6
170.08244	1.0
176.10806	100.0
177.09341	6.3
177.10997	5.5
181.07436	5.3
192.95895	1.4
202.08688	1.5
205.12051	0.8
205.40546	0.9
218.15511	3.5
221.08224	5.4
225.06277	4.4
244.13329	2.5
244.61594	0.9
262.14462	19.3
263.14758	1.1
288.12430	3.9
306.13437	14.1
350.12424	28.7
351.12695	2.7
351.21896	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	350.1282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	34.0
68.50504	13.4
71.44082	14.7
71.97434	14.8
75.00871	15.1
88.88941	12.5
153.82114	12.4
154.49924	13.0
164.26262	15.9
166.08652	12.6
212.72192	12.5
223.02803	36.6
265.14731	16.4
291.09131	100.0
307.12134	21.7
345.43311	14.4
350.24005	20.3
351.17084	33.6
351.21484	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	350.1455
Annotation	trans-Zeatin-riboside
Peak:m/z	Relative Intensity
59.01381	89.2
61.98820	17.9
69.83503	34.1
71.01393	17.3
78.52524	11.2
80.62121	10.5
89.02485	12.7
96.02800	11.3
113.02452	15.1
115.92103	13.1
116.92863	65.7
126.90524	28.8
145.08694	100.0
192.95827	39.2
204.32967	10.9
212.45229	11.6
236.02219	10.7
307.69620	11.9
350.93811	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	350.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	92.8
69.59039	48.5
71.01373	50.3
73.02928	24.5
89.02430	16.8
97.38058	12.2
101.02439	41.9
107.76743	14.8
136.41089	12.9
141.80946	13.6
161.04529	28.2
163.04657	13.2
180.98466	13.1
192.95868	24.4
198.83203	15.3
213.76198	13.6
285.19357	15.3
285.76025	13.6
307.17606	100.0
351.06265	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	351.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	22.8
63.66290	1.2
69.28685	6.9
70.13119	1.2
71.01381	7.9
85.02996	1.6
89.02451	7.3
99.08167	1.4
101.02464	4.6
113.02423	2.1
119.03477	1.9
121.02969	1.6
126.90514	2.1
127.07655	100.0
128.07970	3.0
150.94727	1.9
153.05640	1.7
160.04109	2.0
161.04552	1.5
167.71429	1.3
171.06638	77.0
172.06982	3.2
179.05598	1.4
186.23579	1.4
189.98161	1.6
192.95918	6.7
229.83746	1.6
252.01617	1.6
284.83286	1.3
311.67804	1.5
316.08621	1.4
351.12955	53.6
351.17215	3.4
352.13541	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	351.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08036	1.4
57.23811	1.4
59.01368	5.8
62.02193	1.4
64.46014	1.6
70.91435	1.8
71.58437	1.3
72.00899	10.3
106.00212	1.3
122.99445	1.3
147.04530	39.0
148.49077	1.4
151.17041	1.6
164.07162	100.0
165.07484	5.2
175.78058	1.5
186.95622	2.0
192.95839	8.0
257.51685	1.9
351.13266	12.3
352.13745	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	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16418	1.1
59.01379	100.0
61.98804	1.0
62.74606	1.0
62.96249	1.0
69.53417	4.1
71.01394	6.1
73.02955	2.4
78.98060	1.1
85.02945	4.2
89.02444	2.0
91.35538	0.9
99.00949	1.2
101.02430	5.3
110.76233	1.1
113.02453	2.8
122.06122	1.3
136.07614	2.2
146.80643	1.1
159.02988	1.3
161.04532	4.7
170.04578	2.3
192.95853	6.0
271.10751	1.5
289.11987	2.0
291.14465	6.6
307.12946	3.1
315.06631	1.0
351.11877	5.1
351.16486	3.4
356.01996	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	3.2
59.01380	100.0
61.98828	2.2
64.36855	0.9
65.62024	0.8
69.11286	5.6
71.01366	2.5
71.37739	0.7
73.02948	1.5
80.05036	1.0
83.05046	2.1
85.02920	0.9
87.00864	0.8
89.02474	1.4
90.03466	1.2
94.06633	1.7
95.43168	0.9
96.95995	0.8
98.22702	1.5
101.02451	1.7
108.04552	3.1
109.06537	1.9
113.02435	1.0
115.92064	2.2
121.02966	3.6
122.06120	2.3
123.08157	1.8
136.04070	1.3
138.05602	3.6
142.94489	1.8
149.89206	0.8
152.03532	1.6
165.69791	0.8
166.05090	3.8
167.05878	2.9
168.06618	1.1
183.36600	0.9
191.14331	1.2
192.95876	2.8
202.12349	1.1
204.06607	1.5
209.04431	1.3
216.87103	1.0
231.11438	1.0
235.08556	2.7
239.07010	0.9
249.09999	1.0
259.10770	1.6
264.12369	1.9
289.11917	3.9
307.13046	11.5
308.13300	1.0
309.13458	14.1
310.14096	1.1
351.11298	12.3
351.18933	1.2
351.20416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
73.42554	1.4
144.52870	1.6
155.43103	1.5
157.58792	1.5
192.95900	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	351.1814
Annotation	Tagitinin D
Peak:m/z	Relative Intensity
59.01376	0.5
61.98804	0.6
70.28242	0.7
74.57959	0.3
78.05513	0.3
79.18412	0.3
85.02995	0.4
96.69024	0.4
111.04527	0.6
125.09756	0.8
137.09737	0.6
146.08275	0.4
153.09201	0.3
155.03467	0.4
189.12897	0.5
191.14427	1.2
205.15985	1.7
209.85706	0.3
227.14458	1.7
233.19142	0.9
243.17520	3.5
245.15498	1.1
245.19025	1.8
261.18561	3.7
262.18976	0.5
263.20224	1.2
289.18091	1.3
305.17593	1.5
307.15500	0.6
307.19156	38.3
308.19501	3.6
351.18137	100.0
352.18481	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	351.2177
Annotation	8-iso PGF3alpha
Peak:m/z	Relative Intensity
57.03440	1.0
59.01382	4.0
61.98825	0.5
64.09897	0.5
64.10310	0.4
66.16590	0.4
69.03468	2.5
71.01402	0.5
71.05018	1.7
71.44299	0.6
73.02957	3.4
83.05009	1.1
84.02171	0.7
85.02987	0.5
85.06586	0.7
86.77179	0.4
89.47970	0.4
95.05045	0.7
97.06614	2.1
101.06069	0.5
107.05025	1.2
109.06597	1.8
122.46690	0.5
123.08119	0.6
135.08098	0.5
166.35928	0.4
177.12877	0.6
191.14442	3.1
192.95909	2.8
192.97328	0.5
195.11705	0.5
203.14415	0.6
231.17474	0.5
237.16486	2.1
243.17531	0.9
245.19110	1.1
247.16945	1.2
247.20656	5.1
249.22180	0.7
259.16763	0.6
259.20746	3.3
261.18304	0.5
261.22281	0.9
271.20645	3.2
275.20108	1.3
277.21729	1.8
289.18195	1.0
289.21826	1.0
291.19650	4.3
323.88644	0.5
351.21762	100.0
352.18198	0.6
352.22079	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	351.2177
Annotation	PGK1
Peak:m/z	Relative Intensity
59.01112	0.6
59.01379	5.4
60.99322	0.8
70.92377	0.6
73.02968	0.6
79.98715	0.3
169.08763	0.7
192.95866	0.6
243.17670	0.7
245.19043	3.0
273.18573	4.6
291.19907	0.8
305.21167	1.1
307.18918	0.5
330.54199	0.3
333.20700	8.4
334.21017	0.9
351.18253	3.8
351.21768	100.0
352.18509	0.5
352.22089	12.3
374.60028	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2178
Annotation	Neorustmicin D
Peak:m/z	Relative Intensity
59.01377	6.5
60.91609	2.8
61.98833	9.8
65.03974	3.5
66.17155	2.9
69.03470	5.2
71.05035	3.3
81.03450	6.2
83.05033	5.3
85.06599	11.0
97.06600	3.9
98.03767	4.0
99.04572	3.6
118.61059	3.5
135.04527	5.8
137.06142	3.3
150.94801	5.4
186.95535	3.9
192.95844	20.9
219.13919	37.2
234.16216	10.9
243.17432	5.2
259.20670	14.1
271.20712	3.6
273.22217	4.5
333.21106	4.8
351.21768	100.0
352.22232	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	351.2177
Annotation	Capillolide
Peak:m/z	Relative Intensity
57.03439	0.8
59.01386	3.7
69.03450	6.0
70.49691	0.9
70.50032	1.0
71.05019	4.8
83.05021	1.0
84.02138	0.8
97.06606	2.4
107.05064	1.5
109.06593	2.7
112.60342	0.6
134.44244	0.6
177.12814	1.1
185.01018	0.7
191.14418	2.9
192.95882	3.0
195.11874	0.7
205.15974	1.2
207.17583	1.0
219.17644	0.7
235.17096	2.3
237.16455	1.5
243.17549	1.8
245.19084	1.4
247.20636	2.9
249.22310	1.4
259.20679	7.1
261.22195	1.8
263.20142	1.1
271.20685	13.8
272.20999	1.0
275.20044	1.0
277.21768	2.1
279.16061	1.7
287.20166	1.0
289.18137	3.1
289.21741	5.9
307.19119	6.8
307.22861	3.8
333.20554	1.2
343.68433	0.7
351.18143	6.2
351.21747	100.0
352.18179	1.3
352.22055	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	351.2176
Annotation	Sterebin C
Peak:m/z	Relative Intensity
55.08560	0.4
59.01381	41.4
59.50543	0.6
64.07716	0.5
69.77396	2.0
75.00874	7.5
85.02928	0.6
158.06396	0.5
192.95848	1.5
247.20663	10.3
248.20976	1.1
249.18677	1.8
289.21848	1.4
291.19656	47.7
292.19940	3.8
307.22623	5.4
327.50339	0.5
351.21759	100.0
352.18130	1.0
352.22122	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	351.2177
Annotation	Cinncassiol D1
Peak:m/z	Relative Intensity
51.12358	4.8
57.03440	8.7
59.01362	11.8
69.03451	10.5
69.35368	16.5
71.05012	7.8
81.03445	16.4
83.05016	13.7
85.02951	5.1
85.06571	12.0
94.04251	4.4
97.06594	7.6
98.03721	18.3
99.04528	5.7
115.07558	5.1
150.94777	6.6
186.95578	7.2
191.14418	6.9
192.95859	40.7
201.12813	7.8
205.16074	6.2
207.17529	10.5
214.79726	4.7
219.13927	10.5
235.17012	15.3
243.17516	19.7
259.20712	46.8
261.22031	5.3
262.43295	4.9
264.89362	4.9
271.20706	13.5
277.21609	9.3
289.21603	6.9
303.16434	8.5
303.19669	87.1
304.19977	9.0
328.40363	5.5
351.21713	100.0
352.21881	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	351.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92535	0.5
54.03168	0.5
59.01369	2.2
71.01414	0.5
71.29462	0.5
77.22502	0.6
79.95729	1.1
81.77579	0.4
94.98108	1.1
96.95989	0.5
107.66264	0.5
120.14745	0.5
123.04566	1.3
124.05365	0.5
137.06075	2.0
154.78786	0.4
162.10445	0.6
165.09171	1.4
217.16006	0.6
222.02293	0.6
231.10344	0.7
245.19119	1.3
289.25510	2.5
307.26517	0.6
315.23294	1.2
333.24344	100.0
334.24670	11.6
351.21835	2.1
351.25467	20.1
352.25653	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43962	0.6
61.98829	100.0
62.20533	0.6
69.09689	3.9
134.68510	0.6
137.02460	0.6
144.99069	0.7
187.63783	0.8
189.98337	0.7
210.48222	0.8
226.78227	0.7
269.04987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87611	1.5
59.01373	6.4
61.98828	92.4
76.51272	1.4
84.04543	4.3
100.04068	1.4
102.05608	98.1
103.05972	2.4
118.35530	1.4
128.03535	94.0
135.11826	3.2
145.06233	2.8
146.04591	100.0
147.04929	2.9
161.09657	2.6
178.12383	5.1
179.10786	14.7
201.39108	1.5
223.09949	2.5
264.16028	9.7
290.14011	6.3
308.15045	28.0
308.18573	3.1
334.13141	2.9
352.13992	45.3
353.14304	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	352.1401
Annotation	AB 3217A
Peak:m/z	Relative Intensity
55.01856	1.4
59.01375	4.1
61.98814	3.7
70.92841	0.7
72.04551	3.5
74.02475	1.2
84.04539	10.7
85.02962	1.2
89.52570	1.0
92.25811	0.9
96.04559	1.0
100.04071	1.1
102.05611	100.0
103.05947	2.2
105.13527	0.8
108.04576	1.1
110.06116	1.6
112.07626	1.3
114.09235	4.1
128.03540	96.0
129.03851	2.0
133.34943	0.8
135.11786	6.4
146.04594	29.8
161.09731	2.1
163.11546	0.9
173.09471	1.1
178.12358	16.3
179.10768	29.1
179.12395	1.5
180.11177	1.3
211.52437	1.0
218.15411	1.4
223.09723	8.9
264.16052	22.3
265.16238	1.6
290.13910	14.1
291.14352	1.0
308.15030	55.2
309.15448	5.5
334.12869	5.4
352.14020	50.1
352.18484	1.9
353.14276	4.5
353.23306	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	352.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93644	1.0
63.74350	1.2
64.47684	1.0
70.49629	1.5
70.49955	1.6
71.58854	1.4
82.32425	1.1
84.04547	3.0
98.22037	1.2
100.04057	2.3
102.05613	100.0
103.05915	1.5
128.03546	75.8
129.03856	1.3
135.11803	2.2
146.04599	98.6
147.04910	2.5
148.03700	1.0
161.09654	1.4
178.12263	1.8
179.10777	8.4
180.11101	1.9
201.54720	1.1
223.09734	1.9
225.36577	1.0
264.15997	6.5
290.14020	4.4
308.15018	16.1
309.15585	1.2
352.14020	29.0
353.14215	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	352.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81060	0.4
59.01375	0.8
61.98841	0.5
73.02946	0.9
74.02460	0.7
76.85813	0.4
84.04534	3.3
85.02985	0.5
86.47293	0.4
98.21861	0.9
100.04044	2.8
100.07705	0.7
102.05610	95.9
103.05940	2.6
115.97538	0.5
128.03542	68.3
129.03938	2.1
132.42802	0.5
135.11790	2.0
146.04596	100.0
147.04912	1.8
152.99599	1.1
161.09727	1.6
163.11316	1.3
179.10774	7.6
179.84058	0.4
194.95494	0.6
221.14355	0.4
223.09746	1.2
264.16052	4.8
290.14041	1.9
308.15027	14.0
308.18564	1.0
309.15384	1.4
317.83893	0.5
334.12994	0.6
352.14011	25.7
353.14206	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	352.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84291	2.4
57.94292	2.6
59.01380	4.6
61.98824	11.6
67.60002	2.7
70.04734	2.4
78.95907	13.9
102.05614	83.9
128.02687	4.8
128.03542	64.0
130.08716	5.7
146.04599	100.0
152.99599	31.1
168.19380	2.4
179.10811	8.3
195.76199	2.7
198.75146	2.6
223.09831	3.8
229.40462	2.7
308.11819	3.3
308.14932	16.1
351.21655	16.6
352.04642	4.1
352.14059	37.7
352.18161	5.3
352.22043	42.1
353.14035	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	352.1766
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
51.56234	0.5
51.62417	0.5
58.02982	2.6
59.01373	2.3
61.98823	0.6
67.05881	0.5
70.84216	0.9
81.03463	1.2
84.77081	0.5
84.88802	0.6
85.02982	0.9
91.75114	0.6
95.05037	1.8
97.06591	0.7
102.05614	4.6
109.06596	1.2
110.09801	0.9
119.15305	0.5
123.04505	1.1
128.03555	4.2
128.10822	10.0
130.08743	100.0
131.09073	2.1
135.08170	1.6
138.16180	0.5
146.04590	6.4
149.06085	3.9
154.08746	1.6
162.83974	1.0
172.09792	3.9
177.09201	1.6
179.07172	0.9
179.10843	1.0
179.84174	0.9
181.08699	1.1
221.08310	0.8
246.18683	1.6
254.13968	0.7
290.17465	2.8
308.15222	0.9
308.18634	13.8
309.19037	1.4
334.16605	6.2
352.17670	42.7
352.92004	0.8
353.18115	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	352.1766
Annotation	Platyphylline N-oxide
Peak:m/z	Relative Intensity
55.01876	1.1
55.86243	0.5
57.21527	0.6
58.00587	0.6
59.01361	0.8
61.98845	0.6
70.69800	1.2
71.05006	1.0
72.00909	54.5
73.01256	0.9
73.02964	0.8
83.05026	52.7
84.05331	1.0
89.28490	0.6
95.05050	0.9
98.06112	2.3
102.05609	2.6
108.04566	0.8
127.04013	100.0
128.03520	2.6
128.04350	2.6
144.06667	61.2
145.06984	1.8
145.10245	7.9
146.04634	4.1
158.76314	0.6
162.09247	2.1
163.11334	2.9
166.12337	0.6
176.10728	1.4
181.12384	1.6
189.11824	0.6
206.11858	2.4
308.15009	0.6
317.68094	0.6
326.62506	0.8
334.16650	6.4
352.17670	34.2
353.17917	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	353.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.8
59.01366	1.7
61.98821	1.0
67.19566	0.9
69.03456	100.0
70.03795	2.1
70.68063	1.8
72.99298	1.5
78.95915	5.2
79.01917	1.8
95.01356	1.4
97.02960	18.7
97.77000	0.9
99.00879	26.9
120.59181	0.8
121.02988	1.4
121.23735	0.8
121.97634	0.8
123.04500	1.6
141.01944	5.9
150.03242	1.7
152.01106	1.5
152.91739	1.2
152.98502	1.2
152.99600	12.5
157.08698	1.6
167.03468	5.1
181.33096	0.8
185.00909	47.1
186.01259	1.2
193.33852	1.0
194.92836	1.8
194.95474	1.5
195.06596	1.5
203.02060	1.0
209.04533	0.8
322.13113	0.8
353.01761	0.9
353.05038	10.7
353.09628	2.4
367.47885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57859	2.3
57.03430	3.2
59.01378	100.0
70.73987	3.8
71.01379	22.1
72.99311	5.9
73.02953	4.3
78.95914	5.8
83.01397	5.1
85.02949	7.4
87.00871	9.6
89.02439	26.8
94.58003	2.0
98.01231	2.0
98.98284	2.1
99.00886	17.8
101.02431	12.3
111.00850	15.7
112.98820	30.8
115.00374	6.0
117.00478	4.0
118.00718	2.5
119.03502	4.1
125.01006	2.9
127.05286	2.2
129.01955	16.2
131.08261	9.7
133.02921	4.4
133.03891	2.1
134.03787	4.5
135.04514	12.7
141.00388	2.7
141.01649	2.2
141.04080	6.3
142.99838	13.7
143.02000	6.9
143.03462	2.3
146.09401	2.7
149.00906	4.9
150.98904	3.9
156.99077	30.5
161.02431	11.8
166.97290	2.2
168.99846	12.0
173.00911	14.7
173.04568	8.9
173.09233	4.0
173.10464	6.3
175.02538	4.9
179.03554	13.6
179.05582	7.8
185.03050	26.6
186.03345	3.5
191.02002	4.5
192.99875	4.8
194.97900	5.6
201.00327	3.6
211.00946	28.5
212.01112	5.0
212.98868	5.4
216.99059	7.5
232.49304	2.3
255.00003	26.8
255.99971	4.2
266.97607	5.0
292.95444	20.9
357.00354	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	353.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	34.9
71.01379	29.8
71.05024	2.3
73.02949	21.1
79.18967	2.5
83.01383	2.0
83.05033	4.7
85.02953	6.8
86.34359	2.0
89.01931	3.1
89.02444	40.2
93.03455	54.4
94.03802	2.1
99.00884	14.1
99.04518	5.2
101.02454	11.7
111.00889	10.3
111.04527	23.7
112.98806	10.7
113.02417	7.7
115.00428	2.1
118.23354	1.9
119.03480	4.8
129.01936	9.5
131.03459	2.9
131.04576	3.6
131.08266	5.6
137.02420	13.2
138.08362	2.0
141.04056	3.1
142.99828	2.5
143.03488	8.0
153.01881	3.5
155.03503	8.4
161.04509	4.6
166.97472	2.7
168.99884	3.3
169.84364	2.2
173.00871	5.0
173.04547	100.0
173.07951	3.1
173.09296	9.0
174.04901	4.1
179.05573	15.8
185.03046	8.8
185.50568	2.3
186.27385	2.3
210.96370	2.4
211.00949	9.8
212.01114	2.4
212.98993	3.3
254.99872	7.6
284.54953	2.2
292.95538	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.9
61.98829	0.8
69.56662	0.5
82.02975	0.6
84.04523	3.7
85.92688	0.5
97.04066	0.6
98.02443	1.0
98.58875	0.5
101.07205	1.4
108.39970	0.6
109.04082	5.4
125.03561	2.9
127.05137	23.3
128.03534	9.2
128.05495	1.1
129.03864	0.7
137.02458	0.6
145.06189	100.0
145.10184	6.5
146.06531	2.1
146.08286	0.8
150.03229	1.1
154.26186	0.6
163.11301	1.7
177.09172	0.6
189.09224	1.8
197.05618	0.7
208.08536	0.9
221.08167	0.5
240.91292	0.6
273.16025	0.5
285.04001	0.8
309.07187	1.8
317.14893	2.1
335.16135	9.6
336.16602	0.8
353.17172	27.4
354.17444	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	353.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.1
59.01379	100.0
61.98836	6.1
62.04756	1.3
69.03458	2.1
69.75618	4.0
71.01384	5.0
71.46777	1.1
73.02950	1.5
85.02941	2.0
99.00861	1.7
101.02436	6.0
113.02470	2.5
135.04530	2.5
148.01466	1.1
152.91724	1.3
154.85555	1.0
157.48651	1.1
161.04546	4.3
176.01155	3.8
191.03526	5.0
194.92947	1.5
194.95552	2.0
293.16022	10.5
295.13876	3.3
353.14374	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	353.1864
Annotation	Kopsinoline
Peak:m/z	Relative Intensity
59.01374	4.5
60.27461	2.7
61.98830	4.0
62.04735	2.7
66.54990	2.7
69.61947	8.7
69.62315	5.6
70.20267	2.8
75.00850	3.9
83.36211	3.2
98.21886	3.6
109.99266	3.6
125.17896	2.6
134.79948	2.9
139.56340	3.1
144.95341	2.8
148.52237	3.4
171.10262	12.8
189.69330	3.1
194.95517	6.8
277.21573	16.0
295.22855	19.5
313.56091	2.9
353.18625	100.0
354.18759	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	353.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54646	7.6
60.39184	7.8
70.96526	9.2
90.09357	7.0
96.65993	7.0
202.39636	9.1
317.21216	100.0
353.19138	10.5
353.23120	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	38.5
62.67409	14.5
62.90260	16.4
66.24364	14.4
69.63204	30.7
69.63554	39.9
105.79737	13.8
113.84038	13.5
124.72764	13.6
140.13246	13.6
152.91740	33.6
194.92763	27.9
194.95580	37.5
195.93251	43.8
225.14944	21.2
226.88860	16.6
237.14963	66.6
310.90515	23.0
335.22220	100.0
353.19308	20.6
353.23212	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	11.5
61.37086	7.9
61.98833	21.7
65.89976	8.1
69.29482	46.5
76.02249	8.9
87.36835	7.4
87.94254	8.3
98.21959	20.9
114.26188	8.4
166.54286	11.1
194.95679	15.2
205.84413	8.7
239.91870	10.3
271.20544	23.4
273.22101	10.4
310.90671	10.7
315.19647	100.0
317.21216	84.6
332.99664	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2005
Annotation	Hexamidine
Peak:m/z	Relative Intensity
55.22626	0.9
55.91845	0.8
59.01363	0.8
69.99906	1.0
71.43378	1.3
74.64929	0.8
76.46632	0.9
78.25606	0.9
79.95737	10.0
92.07758	0.9
94.98068	0.8
95.95272	1.5
96.96013	78.2
105.89271	1.0
122.97558	4.3
135.31189	0.9
142.01381	1.1
187.78503	0.8
191.05597	2.6
237.47896	0.9
243.91429	0.8
250.35249	0.9
293.17697	1.0
353.20023	100.0
354.20306	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	353.212
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.93141	0.5
60.90562	0.5
70.76471	0.8
70.76819	0.7
109.19730	0.6
163.11281	77.3
164.11623	3.5
177.09201	58.6
178.09509	3.0
232.98048	0.6
253.91377	0.6
310.05624	0.6
346.20398	0.6
353.21191	100.0
354.21542	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	353.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24147	0.7
69.11360	5.1
71.69379	0.8
83.93081	0.9
94.79774	0.7
96.96010	3.8
99.92593	21.5
106.77833	0.7
107.19686	0.9
115.92056	1.6
122.68955	0.7
158.69862	0.8
193.37383	0.8
197.19215	1.0
223.20651	2.7
225.22252	49.4
226.22693	3.9
233.53848	0.7
253.21686	1.5
271.22806	100.0
272.23160	9.6
286.65475	0.8
353.19833	3.4
353.23700	6.5
354.14996	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	354.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04073	18.7
59.01370	98.9
61.98832	30.6
69.50977	82.8
72.99316	22.0
87.00854	35.7
89.87518	21.6
93.91702	21.4
98.22600	43.3
148.54498	27.0
149.00911	100.0
173.67897	28.0
179.10815	42.9
227.26799	24.5
237.19145	21.7
274.88660	23.6
338.95227	22.5
354.06271	25.1
355.09781	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	6.1
61.98829	15.8
68.70396	1.9
71.01398	1.8
72.04543	3.3
73.02943	2.2
84.04553	6.1
102.05611	33.8
103.83169	1.6
104.27837	1.7
114.09241	7.0
128.03545	62.4
128.50446	1.7
129.03885	4.1
130.08786	3.5
131.65294	1.9
146.04579	5.0
161.49931	1.8
163.11354	2.2
181.12375	18.3
192.25676	2.1
198.80505	1.8
225.11284	30.7
226.11617	2.1
237.87576	1.7
266.17633	3.8
272.63971	1.7
310.16739	3.1
336.14523	10.7
354.15579	100.0
354.19858	5.5
355.15909	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	354.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22367	34.5
52.93722	31.0
59.01365	64.0
61.98832	36.3
68.05897	32.4
68.74548	30.2
69.38515	100.0
69.38922	72.3
77.32150	31.0
78.95926	32.2
99.92647	32.0
121.03777	32.8
158.21104	29.9
171.10384	84.9
176.76312	32.5
279.69678	40.8
279.80078	37.8
306.20483	38.7
336.08917	93.0
355.21240	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01371	2.5
64.19635	1.0
64.21850	0.7
70.97594	1.5
71.05017	2.2
71.29225	0.7
74.50584	0.9
84.04575	1.3
126.05602	17.9
128.07220	2.1
128.17778	0.8
130.08727	8.4
145.10176	5.6
146.08235	100.0
147.08595	3.6
149.00952	1.5
154.05118	0.9
163.11263	3.4
170.08243	1.1
179.10780	4.5
181.12331	1.7
318.17014	1.4
336.18158	8.5
337.18579	1.4
354.19229	34.0
355.19745	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	354.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
57.91376	0.2
59.01380	0.3
71.01390	0.2
71.05031	1.6
72.00919	1.8
72.04551	0.6
74.95458	0.2
83.05014	1.0
85.02962	0.3
87.00878	0.3
95.05047	0.4
100.07714	0.7
102.09261	0.3
106.35295	0.2
107.05055	0.3
117.27856	0.2
126.05617	7.2
127.04026	1.1
128.07195	2.1
130.06979	0.2
130.08742	0.5
134.19154	0.2
135.11803	0.4
138.48885	0.2
144.06715	0.9
145.10243	3.7
146.08235	100.0
146.78949	0.2
147.08598	2.8
151.56169	0.2
161.09676	0.2
163.11282	2.1
170.08250	0.3
172.06178	0.7
179.10738	1.4
181.12360	0.4
209.10611	0.2
223.09785	0.5
227.75909	0.2
318.17343	0.4
336.18152	6.0
337.18521	0.5
354.19214	24.0
355.19571	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	355.1038
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01371	3.2
61.98809	4.2
67.13146	1.9
67.81127	1.9
69.53257	6.2
69.53619	3.5
71.97318	1.9
73.41284	1.8
101.02458	1.9
103.93333	1.8
125.16598	1.8
134.02716	4.4
134.03738	92.4
135.04030	3.2
137.02415	3.8
149.06067	25.4
178.02692	17.6
193.05063	100.0
194.05338	5.9
194.09285	2.4
194.21487	2.0
228.22667	1.8
256.01480	2.1
313.44043	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	355.1037
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
54.01564	1.7
54.58926	1.6
57.88526	1.7
59.01362	5.7
61.98821	3.4
69.03426	2.6
71.01408	2.1
91.92716	1.5
102.98572	2.5
134.03760	61.6
134.04713	10.8
135.04008	1.7
137.02414	3.3
149.02374	2.3
149.06091	15.8
159.01772	1.6
178.02740	33.6
193.05055	100.0
193.12454	1.8
194.05379	3.9
197.04538	1.6
270.39063	2.0
355.10010	2.5
362.63678	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	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05083	0.3
68.35943	0.3
69.78365	0.5
69.78719	0.9
106.04227	0.5
119.05048	0.5
132.98534	0.3
133.02950	0.9
134.03740	100.0
135.04070	4.3
137.02458	1.7
139.03949	0.3
148.05293	0.3
149.00896	0.5
149.06079	25.8
150.06427	1.4
174.68498	0.3
178.02708	17.1
179.03027	0.8
182.81508	0.3
193.05049	90.7
194.05377	5.0
218.79422	0.4
235.06172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	6.7
61.98831	5.4
69.42538	10.7
69.42946	5.3
73.02951	4.5
79.77660	3.1
82.25208	3.1
84.94212	3.2
87.00867	9.5
89.43961	3.7
135.11780	21.2
149.00903	12.0
179.10774	100.0
179.12338	5.3
223.09746	58.8
224.10069	3.8
226.84218	3.5
233.96190	3.1
355.17413	4.2
358.30078	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1035
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01374	2.2
59.24817	0.7
61.98809	0.9
69.03444	1.9
69.74972	2.7
78.95919	0.7
95.45307	0.9
102.98592	4.4
106.04208	1.0
121.02939	1.8
123.00871	0.8
133.02956	2.4
134.03745	75.4
134.04633	2.8
134.36298	0.7
135.04077	2.6
137.02405	5.2
139.04015	2.0
149.06081	19.8
154.01201	0.9
159.10347	0.9
160.01646	1.2
164.04829	1.3
175.03961	1.7
178.02715	36.9
179.03133	1.7
193.05054	100.0
194.05397	5.0
355.10248	0.8
368.10043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	21.6
69.25182	6.8
84.99301	1.6
87.00879	21.4
103.00365	10.0
112.98814	21.9
120.69740	1.4
130.99838	2.8
135.11806	17.7
149.00905	5.5
152.07961	1.5
179.10771	100.0
180.11101	4.5
199.04111	1.5
199.70299	1.6
223.09737	26.7
316.21658	1.7
318.70975	1.5
319.31927	1.5
332.40829	1.6
355.10184	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	355.1106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64936	2.7
59.01374	9.4
61.98834	8.2
69.65943	12.2
70.02966	3.5
71.04998	3.6
87.00890	4.8
87.72876	3.0
95.44430	3.1
100.39272	2.8
121.02902	3.6
134.03745	100.0
135.04088	7.2
146.08276	17.2
149.02388	15.5
157.08733	7.4
164.04782	16.3
179.07114	8.8
193.01477	6.2
193.05057	77.9
208.03815	6.7
217.11867	4.8
223.06133	31.1
277.12253	51.5
319.13303	6.0
351.21051	3.1
355.10175	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1185
Annotation	Cowagarcinone B
Peak:m/z	Relative Intensity
59.01392	1.8
61.98797	1.0
71.04999	1.0
73.98885	0.9
95.78434	1.0
106.23130	0.9
108.02177	1.8
123.04501	0.9
125.09747	2.5
165.05673	1.0
167.07127	1.1
171.10295	2.3
175.04201	0.9
175.59245	1.0
187.09796	1.2
189.05627	1.0
198.59990	0.8
199.09750	1.2
201.11421	1.2
203.07248	1.3
223.07671	1.2
239.07208	1.8
250.06216	1.4
251.07205	1.9
253.08813	1.2
254.05882	4.2
267.06619	26.0
268.07071	3.6
269.08124	6.4
275.16583	1.1
279.06607	4.3
289.97614	1.0
293.08578	1.1
293.17526	2.8
295.06125	19.3
295.15317	1.1
296.06787	4.9
297.07663	7.1
307.06055	5.4
308.06616	1.3
310.08463	32.4
311.09100	6.7
321.07745	2.1
322.08456	3.7
324.06342	4.1
325.07144	17.3
325.10858	7.5
326.07513	1.7
339.08737	16.6
340.09485	70.4
341.09781	8.6
355.11865	100.0
356.12296	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27655	0.7
59.01383	23.7
71.01381	15.2
71.46668	0.8
73.02939	2.5
78.95901	1.6
85.02943	2.5
87.00879	6.1
87.04514	3.4
89.02453	11.4
94.95708	2.0
101.02444	5.7
108.97299	1.1
111.00858	1.0
113.02453	4.7
117.00455	4.1
119.03482	2.6
121.86554	0.9
130.08803	1.6
131.01985	6.2
131.03491	1.1
133.05077	100.0
134.03767	4.8
134.05452	2.0
145.03583	1.7
149.06075	2.0
150.04172	1.0
157.04971	1.1
161.04507	2.3
170.99855	0.9
175.06163	2.1
179.05676	1.6
185.02953	1.0
187.02747	1.9
193.05096	4.6
194.05417	1.0
194.08252	1.5
199.00926	1.7
205.07217	2.1
213.00908	1.7
226.98874	0.9
234.96919	0.9
244.55806	0.8
244.98410	1.7
257.01642	2.7
270.59610	1.0
282.08755	0.9
295.13974	5.5
329.00140	1.6
335.39917	0.9
341.47559	0.9
354.98477	4.7
355.98605	1.0
370.78036	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.6
59.01364	5.1
61.72099	1.5
61.98821	4.2
67.96902	1.5
69.52404	6.8
69.75093	1.5
76.39623	1.5
87.99865	8.2
95.05030	2.4
97.06590	5.2
101.50597	1.7
106.04236	2.4
108.02174	1.9
110.03731	3.6
111.04501	6.6
113.09709	4.1
114.01468	1.8
115.41267	1.7
121.02972	4.0
123.04505	1.8
123.08185	9.9
125.09732	17.4
126.98597	43.0
129.07425	2.2
133.06586	11.0
135.08150	3.9
139.05826	2.0
139.11249	2.1
141.07460	2.2
141.09203	2.3
149.00160	1.7
151.07697	10.5
151.11264	4.0
153.09210	4.4
157.06923	58.2
161.09718	13.2
163.07634	1.9
163.11224	2.2
179.10754	5.9
181.08620	2.3
183.04848	2.1
184.05650	1.9
185.06358	5.3
194.09489	8.1
205.08606	2.4
205.12402	4.1
205.15877	2.9
207.10283	4.8
212.05060	6.2
216.79324	1.6
221.04326	1.7
221.77493	1.9
223.09735	13.8
225.11308	16.7
239.04419	2.1
252.10016	3.8
255.06876	3.2
259.17075	12.1
265.18277	2.2
275.16544	2.6
277.18146	4.2
284.07397	1.7
285.14996	7.1
293.17450	4.6
295.18658	2.6
303.16013	38.1
304.16168	2.7
318.65128	1.7
321.17050	71.5
322.17386	6.3
327.16422	9.9
337.14743	6.7
355.15887	100.0
356.16040	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	355.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	2.9
59.01373	10.3
62.73140	1.9
69.03461	4.7
69.45854	8.8
71.05032	2.5
74.85455	2.0
81.03427	2.3
82.99606	4.2
86.99078	2.5
87.99888	13.2
95.05030	3.0
97.06602	8.1
108.02174	1.9
109.06617	3.6
110.03746	3.1
113.09727	3.2
115.07642	4.1
121.06577	3.3
123.08181	32.4
125.09728	30.0
126.98605	57.9
131.05365	3.4
131.46394	2.1
133.06589	16.7
134.40869	1.9
135.08156	8.0
147.08231	2.2
149.06102	2.5
151.07629	19.2
151.11281	4.6
153.09213	12.6
157.06897	2.6
161.09740	10.3
167.07126	2.5
177.05510	5.3
177.09265	2.7
179.10803	3.4
180.07950	4.5
183.04942	2.4
185.06456	2.3
187.09694	2.7
195.10344	4.8
199.13406	2.5
205.08856	2.6
205.12413	4.7
207.10266	6.5
212.05154	3.1
223.09769	14.0
225.11362	5.3
229.09023	13.4
241.15935	2.5
257.08569	5.1
259.17026	16.5
260.17474	3.4
266.11539	2.7
275.16556	4.3
277.18130	4.6
284.07303	6.8
285.15070	6.2
289.18109	2.2
293.17697	3.8
303.16046	36.1
304.16452	4.2
307.19193	5.9
321.17075	78.5
322.17307	7.5
327.16434	7.3
337.14755	20.7
355.15845	100.0
356.16132	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	355.168
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.6
59.15244	1.4
61.98802	2.1
63.11251	1.6
69.55575	6.9
81.59147	1.6
83.05026	53.3
98.22652	2.7
101.65244	1.5
257.18967	7.9
275.20035	13.7
319.19144	100.0
320.19519	11.5
355.16837	4.8
355.24756	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76351	1.2
52.05964	1.2
58.91317	1.0
59.01381	100.0
61.98824	2.0
64.44651	1.1
69.88419	2.6
69.88778	2.2
71.01382	2.8
73.02951	2.8
73.89104	1.4
83.01396	1.3
85.02939	1.8
89.02445	2.0
95.05002	1.4
98.21989	1.6
101.02467	2.8
101.87971	1.3
102.05630	1.8
109.06657	2.0
113.02465	1.7
123.08161	1.7
125.06079	1.4
125.09705	3.0
137.06053	1.8
137.09706	3.4
167.07210	1.6
181.90408	1.5
201.11220	1.9
259.13379	1.9
265.18317	1.6
267.06543	2.3
275.16525	1.4
277.14444	1.8
293.17615	10.9
294.17990	1.9
295.06161	1.6
295.15570	6.9
301.14636	1.3
305.18097	1.3
310.08490	3.5
319.15833	1.4
337.16507	4.1
340.09525	6.7
355.11963	9.8
355.17578	21.8
356.18021	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	355.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	6.4
59.01365	11.6
61.98806	7.6
66.52526	5.5
69.03435	9.7
70.56315	7.2
72.33275	4.2
73.02953	5.8
85.02939	9.3
85.06566	11.2
95.04997	5.8
97.02972	7.9
97.06606	15.5
99.04445	5.0
102.88242	5.0
109.06597	16.5
111.04515	8.6
111.08141	14.1
121.06608	7.6
123.07349	4.6
123.08148	22.4
125.06056	15.2
125.09734	95.9
127.07668	6.5
127.11293	9.5
137.06093	16.2
139.07671	11.9
143.07166	13.7
149.06096	9.4
153.05566	12.4
153.09215	8.4
154.02715	6.6
155.07054	6.1
155.10812	5.0
165.05537	10.8
165.09264	7.0
167.07179	29.6
171.10255	14.6
183.06555	22.3
183.10170	6.0
187.09753	67.3
199.09752	10.7
201.11308	100.0
202.11638	6.7
213.11285	10.4
229.10692	5.4
265.18161	6.7
291.16071	11.7
295.15549	6.1
301.14557	5.5
309.16959	6.7
319.15448	10.5
332.13361	4.8
337.16580	52.8
355.17542	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1889
Annotation	TMC 96
Peak:m/z	Relative Intensity
56.99560	0.5
61.98816	0.7
71.41862	0.5
93.03427	0.7
111.04505	0.9
154.19969	0.5
200.84846	0.5
219.13972	2.5
229.14397	0.6
231.85622	0.5
247.49365	0.6
259.04749	0.6
269.19009	1.0
271.20706	1.4
273.18600	2.3
287.20163	2.2
288.20792	0.7
311.19824	6.7
312.20078	0.8
329.20981	22.3
330.21280	1.8
337.17874	15.4
338.18130	1.8
350.18417	0.5
355.18893	100.0
356.19232	11.6
373.19968	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	355.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63758	24.6
54.45376	23.0
61.47170	21.6
61.98833	31.6
67.52428	23.3
71.11508	24.6
91.80603	22.8
98.21863	49.2
104.07505	21.5
105.55434	24.1
319.22711	100.0
320.96042	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63758	24.6
54.45376	23.0
61.47170	21.6
61.98833	31.6
67.52428	23.3
71.11508	24.6
91.80603	22.8
98.21863	49.2
104.07505	21.5
105.55434	24.1
319.22711	100.0
320.96042	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49556	32.4
53.72447	34.8
55.61052	31.7
61.98821	69.5
69.64101	94.6
74.38444	34.0
82.22233	33.6
84.20562	34.7
88.02496	30.2
92.17928	33.2
141.26375	31.6
200.59538	35.0
211.44902	35.3
213.14967	42.8
319.19101	46.0
355.20264	82.8
355.24854	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	355.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76653	19.2
61.98835	41.1
69.50257	100.0
111.65738	20.1
129.60580	19.3
133.61955	21.7
161.01062	20.7
229.33148	22.7
242.43498	25.3
319.19174	28.9
355.24945	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2279
Annotation	Dshamirone
Peak:m/z	Relative Intensity
57.03786	1.2
61.98841	1.7
69.11016	2.6
69.11428	6.1
104.02698	1.3
133.10292	2.3
141.26205	1.0
161.09732	3.1
163.11287	93.0
164.11613	4.0
179.10773	75.8
180.11066	2.8
311.25885	2.5
327.63458	1.2
337.21735	3.7
338.21933	1.2
355.22772	100.0
356.23099	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
62.44414	0.5
63.15106	0.6
69.62315	2.6
84.67391	0.6
98.21762	0.7
107.05036	0.8
109.02934	0.8
122.03745	9.0
135.04523	22.1
136.04843	1.0
137.09705	0.8
147.08182	3.4
149.06117	1.5
149.09691	5.6
151.07623	1.2
154.02689	0.6
161.09708	8.4
163.07652	3.7
163.11279	48.9
164.08429	14.4
164.11638	1.7
165.09106	2.7
175.78450	0.6
177.09204	66.5
178.09966	17.5
179.10770	100.0
180.11090	5.9
182.39481	0.6
183.10170	1.2
187.11310	1.6
187.71227	0.7
191.10771	12.0
193.08623	3.0
206.17865	0.7
263.33658	0.7
265.12338	1.5
279.14093	0.8
280.14737	3.8
298.15735	49.1
299.16104	5.0
307.17023	2.2
309.22226	1.0
313.21460	0.9
322.19244	1.1
337.21719	48.5
338.22058	6.7
340.20404	88.8
341.20779	10.9
355.22769	98.9
356.19031	0.9
356.23126	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	355.2278
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
51.66191	0.6
61.98819	0.9
69.45110	2.6
96.20109	0.8
103.91140	0.9
139.93927	0.7
163.11276	3.5
186.78435	0.9
265.12338	1.7
280.09894	0.8
280.14697	5.0
297.15375	0.8
307.17020	2.1
321.18491	0.9
322.19324	1.4
337.21725	100.0
337.88483	0.8
338.18045	1.1
338.22061	14.0
355.22791	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	355.3219
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
51.59494	0.6
70.22028	1.7
72.04318	0.6
90.04405	0.6
130.48354	0.7
139.40225	0.6
250.38728	0.7
286.73935	0.7
309.31561	2.8
310.32013	0.9
337.31116	1.1
355.32166	100.0
356.32495	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.0988
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
52.20706	0.3
59.01164	0.3
59.01387	3.7
61.98824	0.9
69.08955	1.2
69.09361	1.3
71.01385	1.6
76.27596	0.3
76.82501	0.4
85.02937	0.9
85.06080	0.5
89.02456	0.6
98.21873	0.7
103.04272	0.3
106.06628	100.0
107.04601	0.4
107.06966	4.6
108.08186	5.8
113.02457	1.4
115.94027	0.4
118.06643	0.8
120.08187	1.1
130.06625	0.8
131.03772	1.4
135.04521	0.4
146.06122	0.8
150.05615	56.7
151.05971	2.6
162.05553	0.4
164.07179	10.4
168.20609	0.4
174.05623	0.6
192.06685	7.4
193.07071	0.8
194.04591	30.3
195.04904	1.2
236.05627	4.2
266.06778	0.4
296.07755	3.7
296.24738	0.4
356.09918	10.6
357.10242	1.5
376.12073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92949	0.6
59.01381	18.4
60.24172	0.5
61.98852	0.6
69.73325	1.0
69.73724	1.9
71.01376	2.2
73.41582	0.6
83.12306	0.6
89.02435	2.2
101.02415	1.5
107.03645	2.5
113.02459	1.2
119.03484	0.7
134.04732	100.0
135.05070	2.5
161.52510	0.6
162.03224	6.5
174.81532	0.7
177.05568	14.6
195.06613	2.4
203.72227	0.8
244.03978	0.5
296.08255	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	356.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	25.5
61.98822	77.2
62.41065	27.5
68.89708	28.5
69.79305	91.5
98.22567	48.6
108.75729	29.2
117.54169	26.9
121.03003	29.0
184.87764	31.8
192.95871	100.0
288.16046	62.9
333.38141	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05974	0.3
58.74365	0.3
61.98827	100.0
69.60684	0.8
69.61067	0.8
86.89381	0.4
96.22091	0.3
98.22593	0.5
120.56519	0.4
121.02976	0.4
127.62654	0.4
145.07956	0.4
171.10284	0.6
182.11926	1.1
192.95824	0.8
220.14789	0.4
221.15431	0.9
221.97581	0.4
236.10606	0.5
257.70377	0.4
261.78064	0.4
279.30408	0.4
306.20709	1.8
324.21896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.25542	0.9
69.59902	2.8
121.02935	1.7
192.95766	1.7
308.14038	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41011	20.4
59.01383	100.0
75.13230	19.2
76.17553	19.5
102.05614	52.3
128.03552	41.2
142.76303	19.4
146.92249	21.4
155.58484	21.2
191.07195	30.2
192.95897	28.5
218.61610	23.8
222.87448	23.8
239.20050	21.4
267.33862	19.2
356.20844	62.6
357.06119	30.6
357.22791	37.6
374.78595	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	58.7
59.51778	25.5
61.98839	34.6
69.62337	100.0
82.02860	27.5
102.05582	69.2
128.03539	76.0
128.68483	27.6
208.21419	36.9
252.11104	35.0
356.20609	95.8
357.19003	52.6
366.87750	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30867	34.9
58.66005	40.3
61.98833	69.7
62.38512	50.2
62.83866	37.0
69.70786	100.0
77.28873	47.9
97.75156	41.9
98.21902	59.4
113.06472	41.4
119.35051	40.0
121.42897	41.6
156.56895	44.5
161.81535	49.2
162.57530	45.5
204.31584	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Glucoacetosyringone
Peak:m/z	Relative Intensity
59.01376	40.0
61.98833	6.2
71.01390	10.6
82.44340	1.4
83.21922	1.4
85.02970	1.4
89.02438	9.3
89.74497	1.4
94.78192	1.4
101.02435	6.6
102.98593	3.4
108.02185	1.6
111.89971	1.1
113.02464	4.1
118.98074	4.5
119.03461	3.3
119.05030	1.9
121.02986	1.7
123.04533	2.8
124.01632	1.7
130.08707	4.8
134.03740	5.9
134.04729	4.2
135.04468	9.0
136.05287	10.8
146.19888	1.5
147.71498	1.2
150.03185	1.3
151.07658	3.9
151.63826	1.5
161.02350	1.8
162.03230	29.1
162.94519	1.2
163.03706	1.7
177.05563	43.1
178.05943	2.8
179.03378	2.1
180.04277	3.7
188.98495	1.3
193.05119	3.4
194.05669	1.5
195.06622	100.0
196.06944	5.1
288.49777	1.5
357.11487	3.6
357.21542	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57103	1.5
55.97192	1.6
59.01382	9.5
71.42902	1.6
72.99309	3.5
73.02953	3.3
87.00885	13.2
134.63492	1.5
149.00920	19.3
151.57840	1.9
163.11272	3.1
181.12325	18.1
182.12773	1.8
203.13817	1.8
225.11311	100.0
226.11665	6.3
232.27145	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	357.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57103	1.5
55.97192	1.6
59.01382	9.5
71.42902	1.6
72.99309	3.5
73.02953	3.3
87.00885	13.2
134.63492	1.5
149.00920	19.3
151.57840	1.9
163.11272	3.1
181.12325	18.1
182.12773	1.8
203.13817	1.8
225.11311	100.0
226.11665	6.3
232.27145	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	7.8
61.16398	2.0
69.03415	2.8
70.94131	3.3
71.01375	3.2
71.05009	3.8
76.31075	2.0
76.49534	2.9
79.66407	1.9
83.05015	2.6
85.02964	2.8
93.03460	2.2
95.05020	4.8
97.02941	3.3
97.06581	6.4
106.04237	2.8
107.04982	4.8
109.06573	9.3
111.04526	3.4
111.08154	3.2
121.06559	6.0
123.04510	3.9
123.08154	7.9
125.06100	5.1
125.09741	29.0
127.11253	5.6
135.08125	5.1
137.06050	3.7
137.09795	3.1
149.06070	5.3
153.09251	3.1
154.38263	2.4
155.10741	5.0
167.07140	10.7
167.10721	2.3
168.94235	2.2
170.09468	4.9
171.10260	42.7
177.12871	2.8
178.81799	2.3
185.08093	4.1
185.11845	4.0
185.71356	2.3
187.09743	8.2
192.95859	6.1
193.08556	2.1
199.09706	5.8
201.09479	5.0
201.11324	100.0
202.11658	5.4
209.11848	11.3
211.09756	6.1
213.11253	8.3
215.12856	3.4
217.10915	4.2
229.10831	42.2
239.13048	4.4
249.15062	4.1
251.12921	5.8
285.14886	9.1
289.18048	6.8
296.67752	2.2
303.16000	19.2
308.28928	2.6
320.24829	2.6
321.13605	2.9
321.17117	30.4
327.52136	2.3
339.17892	9.7
339.21722	7.5
357.19083	3.9
357.22852	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	357.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33487	1.0
57.03452	1.3
58.02961	1.0
59.01388	7.0
61.98808	1.0
70.95361	1.4
70.95699	1.5
71.01389	4.9
71.05025	2.5
79.95742	1.4
80.02664	2.0
80.96518	1.2
83.05045	1.2
85.02933	1.3
85.06594	2.3
87.04509	2.5
88.04060	1.6
89.02435	1.7
93.03462	1.8
93.07176	1.1
97.02969	2.3
97.06602	2.6
99.04530	2.2
108.02182	3.4
109.06590	24.2
111.08199	1.4
113.06092	4.1
117.20014	1.1
121.06615	5.5
123.08175	15.2
125.06107	2.2
125.09707	11.2
127.11287	3.4
133.06638	1.5
137.06088	13.4
138.03233	4.5
139.07666	8.5
139.11301	1.9
141.04550	1.6
141.05550	8.6
142.12634	1.2
146.76445	1.1
149.06064	2.6
151.07654	2.9
155.07143	3.0
155.10806	1.9
165.09174	1.5
167.07135	100.0
168.07489	4.7
171.10283	41.1
172.10672	1.9
183.10284	1.5
185.08185	10.7
185.11818	1.6
187.09653	2.0
199.09705	2.7
201.11325	77.1
202.11678	4.3
209.11810	1.2
213.11276	5.1
217.10715	1.9
229.10880	7.5
251.12833	1.1
275.09607	17.9
276.09805	1.6
277.18008	1.9
285.14935	1.9
293.17694	2.3
303.16010	6.6
321.17081	38.3
322.17340	3.5
339.18076	9.6
357.19128	9.1
358.11255	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20289	1.3
52.77173	1.3
55.30058	1.4
57.03435	2.7
57.07700	1.5
59.01361	4.0
60.20102	1.5
61.98822	1.5
67.93535	1.2
70.89629	1.6
71.01360	2.1
71.05016	2.1
81.03449	1.3
83.44901	1.3
84.79805	1.2
97.06582	3.8
99.04515	1.5
106.44937	1.3
109.06611	7.3
111.93291	1.3
121.06560	2.6
123.08160	1.7
125.06087	2.4
125.09720	20.5
127.11275	6.1
133.06606	1.6
137.06038	3.3
139.11279	1.8
155.10780	3.3
158.10922	1.4
165.09213	2.5
167.07115	12.3
167.10674	3.4
171.10275	13.5
185.11771	2.5
187.09819	1.6
192.95856	3.1
195.71962	1.3
199.09842	3.0
201.11325	100.0
202.11678	4.4
211.09764	7.1
213.11259	5.1
215.12904	1.5
229.10793	47.4
230.11220	3.9
251.12721	1.5
285.14908	6.1
303.15918	9.8
321.17007	9.0
339.18176	9.9
357.22803	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	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00742	1.0
57.03436	2.6
59.01366	4.4
68.64191	1.1
69.03465	1.4
71.01373	2.1
71.05008	3.1
77.28587	1.0
80.02664	1.5
80.93298	1.0
81.03461	4.8
83.05000	1.8
84.23957	1.1
85.06580	1.3
91.07635	1.1
91.22651	1.0
93.03468	1.6
97.02946	2.5
97.06567	3.3
99.04514	1.9
108.02179	2.9
109.06597	15.6
110.03720	1.2
111.08150	1.8
113.06092	1.9
116.92793	1.4
121.06596	5.5
123.08167	12.5
125.06069	2.2
125.09727	30.2
126.09987	1.7
127.11307	7.0
133.06648	2.0
137.06090	10.2
137.09717	1.6
138.03206	3.0
139.07628	4.4
139.11272	2.3
141.05553	5.1
149.06046	3.2
151.07628	2.7
155.07135	2.6
155.10785	3.3
165.09163	1.6
167.07132	55.5
167.08580	2.6
167.10794	1.9
168.07542	3.2
171.10278	28.0
174.06836	1.2
185.08133	3.4
187.09744	5.0
199.09659	2.7
201.11320	100.0
202.11670	4.1
211.09764	4.6
213.11343	4.5
215.12849	2.7
217.10712	1.4
225.46017	1.2
229.10797	30.5
230.10999	1.5
233.11821	2.7
251.12849	11.8
269.13971	1.3
277.17996	1.4
285.15045	5.3
293.17593	1.6
303.15973	13.4
321.17065	34.4
322.17395	4.8
327.08841	2.7
339.18158	11.2
342.10999	1.3
357.13531	2.2
357.19073	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	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40342	1.7
57.03450	3.3
59.01374	3.3
70.98206	2.7
71.01395	4.1
71.05032	3.4
73.02948	1.5
80.02684	3.4
81.03463	6.3
82.50220	1.3
83.05048	1.6
85.06594	1.8
87.04519	2.8
93.03457	6.6
97.02959	4.0
97.06609	3.9
99.04574	2.1
108.02182	6.1
109.03018	1.9
109.06588	25.4
110.48534	1.5
111.04555	1.4
113.06048	2.3
121.06593	15.3
123.04565	4.0
123.08169	34.8
124.08526	1.6
125.06051	2.8
125.09731	30.5
127.11273	5.3
128.48666	1.4
133.06606	3.3
135.08156	2.8
137.06087	25.5
137.09698	2.1
138.03227	7.9
139.07652	6.8
139.11279	2.9
141.05577	4.6
149.06084	4.8
151.07617	7.0
153.09236	1.5
155.07156	3.2
155.10762	2.5
159.04645	2.1
160.05266	2.1
161.02428	5.7
161.06012	1.8
167.07137	86.4
167.10820	2.2
168.07475	4.2
171.10268	41.3
171.11633	2.8
172.10547	2.4
175.03922	2.1
176.04712	3.0
177.05577	9.9
178.06305	1.5
183.10347	2.1
185.08237	7.0
187.09744	5.5
188.04758	1.5
191.07161	3.3
199.09792	3.4
201.11317	100.0
202.11647	4.7
203.07047	9.9
211.09795	4.6
213.11340	7.1
215.12852	2.5
217.10818	4.2
221.08188	5.0
229.10811	17.0
251.12927	8.0
259.17242	2.3
277.17963	3.0
281.08124	2.0
285.15073	3.5
293.17764	2.4
303.15979	17.5
306.08713	1.8
312.34946	1.6
313.10977	1.6
321.17053	76.9
322.17395	8.3
327.12277	3.0
339.12384	5.0
339.18085	9.8
342.11157	1.9
357.13586	5.6
357.19098	8.3
358.13724	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62852	0.7
59.01379	100.0
59.83056	0.8
61.69038	0.9
61.98806	0.8
63.25402	0.8
69.36029	4.4
71.01375	7.3
73.02946	1.9
75.58559	0.8
83.01408	0.9
85.02953	3.0
101.02455	3.1
103.19238	0.9
113.02436	2.7
161.04509	4.6
171.10316	1.0
203.92542	0.8
223.20912	0.9
225.14961	1.5
315.18100	3.0
357.22751	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	22.3
57.03693	3.8
59.01379	100.0
61.98831	5.0
65.03968	9.4
67.01900	8.4
67.92651	4.0
67.94540	3.7
69.03463	11.7
69.37969	20.9
71.01389	7.5
71.05010	7.3
81.03457	27.0
83.05023	25.5
93.03467	9.2
93.07119	5.3
95.01423	5.2
95.05035	12.0
97.02953	12.4
97.06585	14.2
99.04527	21.5
107.05034	6.6
108.02152	8.1
109.02956	18.1
109.06578	6.4
121.02981	6.2
123.08157	11.3
125.06062	6.8
125.09723	14.2
134.03717	4.8
139.04012	4.8
141.25618	4.6
161.04608	4.7
163.11293	4.8
167.07193	4.9
171.10272	44.5
177.12947	4.8
185.11836	5.0
191.14383	8.2
192.95877	11.5
193.12321	9.2
199.09738	4.7
201.11263	18.3
209.11880	17.8
213.11435	7.4
215.12886	12.4
221.11784	6.5
229.10657	4.7
235.13405	19.9
239.12608	4.4
253.14426	21.0
289.17990	5.5
321.16953	11.8
357.18832	3.6
357.22888	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.5
61.98838	6.2
71.01372	6.6
81.03472	4.2
86.75219	4.5
87.04520	5.2
88.30045	4.4
88.87041	4.6
93.03397	5.6
93.56606	4.8
97.06581	5.5
98.22644	9.5
109.06604	22.8
110.03697	5.6
121.06577	14.2
123.08159	21.9
125.09724	21.3
127.11259	6.8
132.76210	5.4
137.06107	9.6
138.03152	5.5
139.07596	5.7
141.05576	7.8
149.06038	10.2
155.10741	6.9
167.07137	90.3
171.10277	56.1
185.08171	12.0
192.95811	11.9
199.09773	6.8
201.11325	100.0
202.11485	5.8
211.09663	11.6
217.10709	6.7
229.10814	47.0
247.92636	5.2
265.14474	8.4
284.82986	5.2
285.15228	5.5
303.15997	13.5
316.88779	4.9
321.17151	37.3
339.18015	13.2
357.19012	19.0
360.71387	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	357.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50888	1.0
53.59451	0.9
57.03441	2.5
59.01381	8.1
61.98835	1.1
62.67597	0.9
67.26236	1.1
69.03460	2.3
71.05018	2.5
73.33015	1.0
83.05015	4.5
84.02195	5.8
85.06586	1.4
87.04514	1.7
89.71354	0.9
95.05039	5.3
97.06586	2.0
97.22585	1.0
99.08149	3.1
102.05616	1.1
111.04517	1.6
112.98790	2.1
113.06077	1.5
123.04549	1.4
125.09712	4.5
126.09245	1.1
127.11329	1.7
128.03529	1.1
135.08195	1.5
137.09607	1.0
164.08513	1.1
169.06856	1.3
170.88341	1.1
171.10272	23.5
171.11783	1.2
172.10574	1.3
185.11806	5.9
193.12332	10.8
199.05980	1.0
199.13458	2.1
201.11339	9.6
209.11867	3.0
211.13385	3.5
221.11768	1.1
225.14963	15.8
226.15083	1.0
229.10844	3.2
230.03517	1.0
237.09544	1.8
237.14775	1.6
243.16031	7.8
251.12991	1.4
251.16489	2.3
269.17545	3.1
289.18054	3.5
297.24313	2.9
301.36499	1.1
306.01901	1.1
309.24368	2.4
311.22345	1.2
311.25742	1.7
321.17136	1.6
327.25427	19.9
328.25592	1.9
339.21573	1.7
339.25266	3.6
357.22675	82.3
357.26468	100.0
358.23343	8.6
358.26962	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	357.2284
Annotation	oscr#21
Peak:m/z	Relative Intensity
55.99524	1.4
57.03442	4.8
58.32903	1.4
59.01370	5.3
61.98826	1.6
65.03963	1.5
69.03462	6.3
71.05019	10.7
71.10003	1.9
78.19397	1.3
81.03465	3.4
83.05031	4.3
84.02174	1.8
85.02933	2.0
85.06600	1.5
87.04517	7.3
95.05035	11.3
97.02934	2.6
97.06589	13.9
106.04250	5.5
109.02986	1.5
109.06587	3.3
110.03740	1.5
111.04532	5.8
113.06108	2.0
121.06587	3.8
123.08158	1.9
125.06074	2.3
125.09734	24.3
127.11296	2.4
133.06598	1.9
135.08173	7.9
137.09758	4.1
149.06084	4.0
153.09174	3.3
155.10788	2.8
157.42348	1.2
163.11302	5.3
164.08328	1.9
165.12849	2.5
167.10809	3.6
170.09500	9.2
171.10275	55.1
172.10600	4.5
177.12875	1.8
185.11830	5.0
191.14378	1.3
192.95900	2.5
197.11768	2.0
199.13390	2.6
201.11360	15.0
205.12343	1.5
207.10251	1.8
209.11844	3.1
211.13542	1.6
213.11334	2.1
217.10855	2.9
219.13916	5.7
225.11319	1.7
231.13878	1.9
235.13443	2.0
237.11256	1.8
237.15033	3.3
239.12885	6.1
249.14967	9.2
251.12775	3.5
251.16527	13.4
254.28288	1.3
263.16617	2.0
269.17578	16.9
270.17786	1.9
281.17703	7.9
289.18042	10.8
299.18625	3.9
303.16196	2.8
303.19574	2.9
307.19321	3.5
319.00729	1.5
321.17035	7.0
321.20743	11.5
339.17908	2.0
339.21744	24.1
357.19214	3.5
357.22824	100.0
358.23209	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	357.2647
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
53.42212	0.8
59.01375	1.6
61.98829	1.2
70.69137	1.2
78.00917	0.7
79.48167	0.7
85.98631	0.8
105.31105	0.8
121.02927	2.5
123.44564	0.8
135.54333	0.8
150.94748	1.0
185.11838	3.9
192.95921	2.2
193.30469	0.7
241.75795	0.8
289.55429	0.7
297.24493	1.8
309.24454	2.5
325.23923	0.9
327.25381	18.3
328.25903	1.4
339.25223	3.8
355.24527	1.1
357.26465	100.0
358.26804	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	358.057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98832	100.0
69.76087	0.6
69.76479	0.6
75.88837	0.2
147.93309	0.2
163.53679	0.3
202.47017	0.3
295.05978	1.6
318.30994	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
66.07052	3.1
70.97521	4.8
71.53840	3.9
74.62665	3.7
89.94381	3.2
96.76550	3.8
247.20561	5.4
288.97601	3.6
293.21463	3.5
315.19424	100.0
316.19656	11.5
330.87979	3.5
358.19980	29.2
380.17493	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	358.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11051	15.0
59.01376	54.1
61.98838	21.0
69.19034	47.6
69.19439	51.3
69.41875	19.3
98.21825	24.7
133.54581	17.5
152.91676	17.4
174.99428	19.8
180.78200	17.5
194.92752	33.3
194.95525	28.8
217.00261	30.5
276.93161	24.2
315.19647	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	358.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60328	40.1
53.14715	34.4
61.98804	42.4
98.21875	100.0
120.75403	37.3
136.70596	40.3
218.01813	38.3
231.90891	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87392	0.7
59.01380	95.5
60.01714	1.5
71.01421	0.9
71.41853	1.1
78.95895	1.3
89.02457	1.2
96.96055	0.9
111.00884	1.1
113.02510	0.8
114.73721	0.8
123.00894	1.0
130.08743	9.4
132.98210	2.0
134.04721	3.1
135.04524	19.5
157.03566	2.6
159.01555	2.2
174.99260	24.4
175.99734	0.9
178.96033	2.5
197.04715	1.8
201.00812	1.9
201.02538	23.9
202.02751	3.1
217.00302	100.0
218.00677	4.0
316.90619	1.1
359.01694	4.6
359.09979	2.1
359.15057	5.9
360.06772	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10080	0.7
58.79071	0.6
59.01378	97.4
60.01709	1.9
69.99102	1.3
69.99438	0.7
70.38441	0.7
71.01395	1.0
72.04751	0.8
72.07084	0.8
78.95906	1.5
90.97149	1.0
102.78024	0.7
114.98909	0.7
117.38100	0.7
119.60571	0.7
130.08763	0.7
132.98178	1.4
134.04710	0.9
134.97021	1.3
135.04527	1.6
137.88364	0.7
157.03552	3.1
159.01494	1.6
174.99240	24.7
175.99597	0.8
176.98027	1.1
178.95996	2.5
179.96432	0.7
201.02544	25.6
202.02660	2.3
217.00291	100.0
218.00612	3.1
276.98148	1.8
359.01511	5.3
359.09518	0.9
360.01538	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	90.5
60.01706	1.3
61.98830	1.2
72.99332	0.6
73.02955	1.1
114.98887	1.3
117.00465	1.8
132.98236	1.0
134.97124	0.5
135.18169	0.5
145.54227	0.4
156.90826	2.6
156.99913	2.8
157.03600	2.4
159.01518	2.9
174.99260	24.8
175.99596	0.6
177.88246	0.5
184.01041	0.6
186.00783	0.5
187.00948	0.9
198.91872	3.0
198.99490	0.7
201.02541	27.3
202.02734	2.1
203.02351	0.6
205.96605	0.6
214.96361	0.5
215.04143	1.6
215.95898	0.5
216.04089	0.5
216.92549	1.8
217.00301	100.0
218.00652	3.2
232.98506	2.0
259.01624	0.9
273.01648	1.3
274.99600	8.5
275.99713	1.7
276.98486	0.5
298.99933	0.8
315.02838	0.8
317.00650	13.0
318.00745	3.1
340.93246	0.6
359.01642	26.7
360.01782	5.4
376.79651	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0982
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
51.39670	1.1
55.72599	1.1
58.00583	1.8
59.01379	83.7
70.95135	1.3
71.01015	2.1
71.01386	31.2
71.27191	1.2
73.02898	1.2
78.26601	1.1
83.01397	1.7
85.02953	7.8
87.47082	1.3
89.02445	26.4
95.01380	2.3
95.79257	1.1
101.02454	14.8
113.02449	11.9
119.03506	9.5
121.02962	7.9
123.00877	3.7
137.02443	4.6
137.03429	1.2
138.03268	5.9
139.00388	1.6
139.03998	2.9
141.73909	1.1
153.05559	8.5
162.93608	1.2
165.02003	1.4
166.02672	2.1
166.99886	2.2
180.04233	2.2
181.01395	5.8
182.02235	7.2
196.03769	4.8
197.04550	44.3
198.04901	2.1
211.06120	8.7
224.03285	3.9
239.05591	28.2
269.06732	2.8
299.07785	6.4
344.07495	1.4
359.09821	100.0
360.10141	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	359.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	31.6
59.35121	1.2
69.03506	1.1
71.01386	9.9
72.99307	1.2
85.02952	3.4
89.02448	8.6
95.01378	1.7
96.61237	1.0
98.22583	3.5
101.02458	4.9
107.08693	2.1
109.06591	1.3
113.02488	6.5
119.03493	3.1
133.10213	3.3
135.08116	4.2
153.09206	100.0
154.09554	5.0
174.99112	1.5
179.05606	2.2
197.08185	95.0
198.08543	4.8
217.00296	3.7
272.49390	1.2
324.16470	2.2
359.13229	1.7
359.20737	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	359.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	26.4
68.86716	1.2
69.39543	3.4
69.39926	2.3
71.01379	13.7
85.02929	3.8
89.02446	10.0
90.24867	1.2
97.02937	1.4
98.21883	2.1
101.02447	7.0
111.04496	1.8
113.02454	6.6
119.03494	3.8
122.28249	1.6
133.10226	3.4
135.08136	4.0
153.09212	100.0
154.09508	6.5
167.10728	1.4
177.09016	1.2
195.10176	1.4
197.08188	87.9
198.08516	4.1
234.34171	1.4
284.40857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01381	100.0
60.01699	1.2
61.27865	0.8
61.98838	1.1
69.51508	0.7
70.94093	1.1
71.01384	7.6
73.02935	1.9
77.27178	0.7
81.03454	0.9
84.89317	0.8
85.02960	2.8
89.02458	1.9
95.01437	1.3
101.02460	4.1
106.04269	1.4
106.80061	0.7
109.19250	0.7
113.02480	2.5
118.79362	0.8
119.05077	0.9
119.60336	0.8
123.00907	8.4
125.87296	4.2
137.02483	3.1
137.06091	48.4
138.03226	12.8
138.06445	1.9
139.00467	1.2
152.98720	0.8
153.05580	6.6
160.84232	1.0
161.04553	9.1
161.05649	0.8
166.99892	2.9
172.58801	0.7
174.99356	0.9
181.01540	1.6
182.02228	9.9
183.02802	0.9
197.04553	23.5
198.04979	1.3
201.02609	0.8
217.00314	4.4
230.38933	0.7
239.05650	2.2
274.78488	0.8
299.11478	1.7
344.07556	1.2
359.09808	13.5
359.13681	1.3
359.92014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1347
Annotation	Semperoside
Peak:m/z	Relative Intensity
52.01367	0.5
54.60030	0.6
55.86837	0.5
57.03446	1.3
59.01381	23.0
64.76762	0.5
66.04102	0.5
66.39355	0.5
67.67442	0.5
69.03437	1.0
71.01381	9.1
73.02946	0.9
81.38376	0.5
85.02950	8.8
87.00893	0.9
89.02448	7.2
95.01405	1.4
97.02969	1.7
99.04502	2.0
101.02441	4.1
107.08688	1.4
109.02974	0.6
111.00882	7.3
111.04536	0.9
113.02440	6.5
119.03511	2.2
125.02448	1.2
133.10257	2.5
135.04546	2.3
135.08162	4.0
137.02463	0.8
138.29384	0.5
143.33134	0.7
151.07661	0.6
151.11264	1.1
153.09216	100.0
154.09540	4.5
161.04478	0.6
165.77077	0.5
167.10757	1.4
177.09210	1.0
179.03520	0.7
179.05629	0.7
179.07153	1.3
195.10284	1.7
195.38550	0.5
197.08194	74.0
198.08568	4.5
217.00261	1.5
223.02449	1.0
239.09250	2.1
299.11343	0.9
315.14474	1.6
343.30774	0.6
359.07773	1.1
359.13373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	57.3
61.98830	17.2
63.65907	10.1
68.68681	9.7
69.33786	18.4
69.34183	44.7
84.92273	9.4
95.05040	13.6
95.78616	10.9
96.96017	22.2
98.22747	15.9
149.09694	14.3
152.29445	12.2
166.51218	9.5
171.10298	19.6
189.12914	25.7
194.92809	16.2
194.95505	17.0
203.14285	16.4
205.66455	11.9
215.12817	23.1
217.00305	42.5
223.13504	20.6
243.17496	30.6
247.13345	55.3
287.16531	77.9
305.17734	38.4
323.18527	13.6
359.24490	100.0
365.32080	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	359.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	52.2
61.98800	12.0
68.11679	9.5
69.80289	26.0
71.05021	11.8
72.31721	11.5
89.53285	11.1
98.67268	11.0
108.02156	31.7
134.71936	10.7
152.91798	13.0
174.99249	12.7
194.92778	20.1
194.95544	15.1
199.13388	100.0
201.02521	13.5
209.11755	14.0
217.00325	32.7
233.11766	35.4
251.12808	61.2
259.27570	11.1
305.17606	59.2
323.18555	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	359.163
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	37.3
65.62874	14.2
71.42155	13.7
73.45388	17.3
83.43607	13.1
85.02396	17.4
121.26284	13.7
121.73162	14.3
143.10818	14.9
144.36328	14.6
155.34653	15.0
162.26744	16.2
171.10268	100.0
174.38295	13.9
194.92767	16.4
217.00194	36.5
230.00894	17.0
271.39655	15.6
276.93164	20.3
305.17551	16.8
316.08771	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	359.1976
Annotation	13-Tigloyloxy-17-oxolupanine
Peak:m/z	Relative Intensity
57.99342	36.4
59.01374	19.1
69.87074	5.4
70.80219	6.6
94.02992	32.4
108.04548	6.1
110.02522	5.3
111.34005	4.6
121.04016	5.9
152.91795	7.0
174.99281	6.8
194.92744	8.4
194.95500	7.9
217.00269	17.0
254.19165	8.0
276.93222	6.5
288.19733	45.8
297.19589	14.8
297.22638	4.9
298.18076	58.9
310.66406	4.4
315.20782	64.2
315.24170	8.0
316.21091	11.1
332.18671	23.9
341.18719	33.9
359.15369	7.0
359.19714	100.0
360.20117	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	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
57.03448	2.7
59.01376	8.2
69.03453	2.4
71.01376	1.8
71.05026	9.0
81.03459	50.7
83.05027	2.0
84.02173	3.3
85.02956	1.8
87.04515	8.0
93.03449	1.0
95.05037	1.6
97.06622	1.5
99.04522	100.0
100.04873	1.6
109.06595	1.6
111.04539	7.1
125.09709	3.1
127.11301	2.7
151.07657	6.6
151.11247	1.1
169.08746	5.2
171.10274	62.4
172.10632	3.3
174.99170	1.5
187.09785	1.9
194.92714	1.7
201.11333	25.0
202.11606	1.3
213.11301	8.5
215.12926	1.5
217.00302	6.4
248.24422	1.1
253.14418	4.8
271.15521	16.4
271.18100	2.1
285.06445	1.3
305.17673	4.8
323.18634	3.9
341.19650	8.8
350.36386	1.1
359.20724	16.6
360.21307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34277	2.1
59.01387	21.4
60.39738	2.0
61.98816	3.5
65.03944	2.9
66.43530	2.3
71.01393	17.4
71.05018	13.7
71.11377	3.1
71.66521	2.3
73.02946	3.4
74.71043	2.0
76.51221	2.1
78.71314	2.0
81.03477	4.0
83.05045	5.4
85.02947	4.4
87.04537	2.9
88.13730	2.2
93.07103	8.2
95.05042	4.4
97.06612	9.6
99.04528	3.8
109.06575	3.6
111.04514	7.2
113.06090	8.1
123.08157	2.8
125.06084	6.8
125.09725	9.5
127.11289	8.0
133.06624	5.1
143.07106	5.2
149.06058	2.2
151.07625	16.6
155.10838	4.1
162.29085	2.1
169.08716	4.6
171.10268	88.0
172.10594	4.6
183.94267	2.4
185.11871	4.8
197.11914	2.3
199.09886	2.5
201.02641	2.4
201.11330	100.0
202.11644	5.5
209.11908	6.9
213.11308	12.7
217.00253	14.9
218.00406	2.5
228.86220	2.2
234.84123	2.5
235.13324	3.9
241.29138	2.2
253.05392	2.5
253.14365	2.6
261.14975	4.2
271.15558	7.9
284.86035	2.0
287.16556	6.1
305.17587	22.5
323.18542	10.9
341.19635	17.7
359.20776	91.3
360.21075	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	359.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	24.9
60.98522	0.6
69.70763	1.1
83.99145	0.6
98.22653	0.7
99.92616	1.8
109.41140	0.8
270.04520	0.6
277.21722	100.0
278.22067	9.0
301.21677	1.5
329.52783	0.7
359.17484	1.5
359.21994	22.3
360.22305	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	359.9334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86642	1.3
59.01375	42.9
61.98832	7.6
81.66923	1.5
89.01384	1.3
90.07186	1.3
94.81783	1.3
101.00494	1.3
103.01411	1.3
103.92035	2.5
113.96481	7.7
125.87325	2.7
127.86999	5.1
128.95155	4.0
129.92264	1.3
130.94244	1.8
132.98181	3.2
140.89636	6.7
140.93907	5.0
142.89369	20.8
148.00470	1.5
148.94290	1.7
156.93414	3.8
157.95456	100.0
157.97664	5.0
158.95686	2.0
160.97739	7.0
166.99484	1.5
167.87122	2.8
171.97003	6.6
172.69180	1.4
172.94215	1.8
174.99231	36.5
181.92833	2.4
184.00977	4.6
184.88664	12.8
185.88788	5.3
185.97200	45.6
186.00758	3.1
186.88351	39.8
186.98488	2.7
190.95204	2.6
199.98785	10.0
201.94438	45.0
202.92632	2.7
202.98737	84.1
215.95984	25.2
217.00285	25.4
218.00632	3.3
218.93365	3.2
228.01141	1.9
248.94214	1.8
272.94327	1.9
289.92789	2.2
290.95175	1.4
360.97586	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	360.084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.78103	1.0
59.01383	2.7
61.98833	100.0
63.75254	0.9
68.88059	1.2
71.43916	0.9
73.99903	1.0
75.71995	0.8
107.64675	0.9
127.47701	1.0
135.04504	1.0
144.27615	1.0
174.99394	1.3
182.77374	1.1
202.98647	2.1
239.07295	1.3
267.08994	2.8
270.15866	0.9
289.18170	1.1
308.05383	1.0
361.16528	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	360.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.5
60.06299	0.3
61.98822	1.3
69.12562	1.5
69.12975	0.7
70.87904	0.3
71.01384	1.1
73.02959	0.5
75.66661	0.4
84.59281	0.3
85.02934	0.5
87.00877	0.5
89.02434	0.6
101.02436	0.8
108.02171	7.0
121.02945	0.5
138.01971	100.0
139.02310	3.0
150.03262	0.4
151.02779	0.4
152.03641	0.4
174.99255	0.4
180.68063	0.3
189.44655	0.4
221.08208	0.8
360.09433	1.5
360.16290	0.4
361.15094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48055	11.5
59.01379	100.0
61.98839	18.1
69.25207	32.1
69.25597	24.0
71.01383	19.2
71.39024	11.2
79.06640	11.5
95.90307	10.8
126.91792	13.0
171.10274	21.3
172.10605	14.3
202.98779	16.8
217.00363	26.5
326.51019	11.7
343.12888	23.9
361.16568	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.12846	2.9
69.52008	11.0
72.92848	2.5
76.94687	2.4
77.76668	2.5
108.51633	2.4
142.00017	3.4
171.64201	2.6
202.50888	2.9
249.22270	3.3
255.14996	2.5
317.20990	100.0
318.21478	12.6
342.12973	3.4
360.21481	97.4
361.20963	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	360.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48407	1.5
58.10862	1.2
61.11396	1.3
63.45921	1.3
66.05312	1.5
66.55624	1.6
71.43864	1.4
74.61450	1.4
81.17541	1.4
83.04969	1.4
95.29230	1.4
102.31358	1.5
125.78576	1.4
126.94547	1.7
171.10321	1.8
193.99942	1.4
273.22256	18.3
317.21219	100.0
318.21622	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	360.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	9.8
63.70951	7.7
76.16667	8.3
76.39806	7.0
82.32494	7.2
93.30576	7.4
93.54680	7.5
125.88071	7.5
192.14931	9.7
214.66901	8.3
229.50049	7.7
317.21182	100.0
318.21671	10.4
361.13272	17.7
361.24057	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	360.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.9
61.18169	4.9
61.98832	20.1
69.10249	34.6
69.98672	6.1
72.23656	4.8
80.14207	4.9
98.21890	11.8
128.20969	4.8
132.08559	4.9
134.88538	5.0
175.20706	5.3
317.21204	100.0
318.21478	15.2
360.21527	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	360.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
63.99205	0.9
70.77953	0.8
94.58601	0.9
125.17919	0.9
138.77664	0.8
150.01453	0.9
168.69647	1.0
179.67773	0.8
219.17499	14.3
263.16528	1.7
273.22180	3.0
305.33261	0.8
317.21194	100.0
318.21521	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10038	3.1
61.38724	3.2
61.95098	3.4
71.81476	3.2
91.66709	3.4
219.17566	17.0
240.20766	3.7
273.22418	3.9
289.21375	3.9
317.21198	100.0
318.21512	11.6
352.92886	3.7
354.78574	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	360.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.8
61.98828	37.3
70.57172	24.0
106.42717	17.4
122.24598	19.2
165.68130	19.9
180.45340	16.8
182.73782	18.2
191.66045	16.4
238.26329	15.8
241.33328	15.5
317.21204	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	360.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	2.8
61.98816	9.1
69.49982	9.4
71.38597	2.5
83.05029	20.7
109.76495	2.9
134.33186	2.3
176.86783	2.5
177.44981	2.3
315.28610	3.2
317.21213	100.0
318.21552	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	360.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	44.9
61.98822	45.5
69.67373	100.0
74.33763	27.2
74.47121	27.4
98.21806	29.5
136.76997	27.3
202.98715	58.7
217.00151	45.6
263.55719	30.2
307.23853	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.218
Annotation	Unknow
Peak:m/z	Relative Intensity
67.55978	3.2
69.85369	11.3
85.11108	3.1
87.99167	2.9
98.21971	5.0
115.66714	2.6
212.22696	3.6
245.19232	3.7
263.01257	3.5
273.22345	4.1
292.04001	3.8
317.21219	100.0
318.21515	9.6
361.20074	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	360.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	14.7
61.98833	17.4
69.67166	23.8
83.05038	50.1
93.74891	7.6
181.35745	7.6
199.26418	8.3
217.00575	9.8
233.17223	8.3
246.94290	8.8
273.22214	33.3
278.11475	15.7
280.80582	8.0
293.21265	32.0
303.19653	46.5
317.21219	100.0
318.21671	10.4
323.88098	8.9
344.32199	9.6
361.15640	83.4
361.20035	15.4
372.00827	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	360.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	56.6
70.93229	35.1
121.75455	30.6
135.01973	33.2
154.28343	32.9
270.14221	32.7
278.22040	68.4
302.21991	100.0
360.18103	78.3
361.16959	67.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57092	2.7
51.86284	3.0
58.24431	3.3
59.01386	17.1
70.69483	4.2
72.29505	3.4
105.59860	3.7
116.05051	11.5
130.06607	51.2
131.33835	3.2
141.98164	4.9
151.18361	3.5
160.97711	3.4
161.87808	3.0
174.99269	6.4
187.98732	3.5
202.98747	9.6
203.08325	7.8
213.03487	8.6
217.00328	9.0
246.04417	4.4
254.42752	3.0
259.04181	3.5
271.39221	2.9
301.05069	100.0
302.05164	7.1
335.91934	3.2
361.14899	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	55.8
61.98829	16.3
71.01381	15.7
73.02943	5.4
83.01388	1.8
85.02943	5.8
88.80080	1.5
89.02422	2.7
95.01380	3.3
101.02446	9.6
109.02969	1.6
113.02439	8.7
113.80364	1.3
121.02957	3.3
123.00891	100.0
124.01708	14.4
135.04485	2.7
137.02449	5.5
138.03232	88.8
139.04031	28.6
143.03514	1.6
149.02434	3.1
151.04007	4.0
159.02974	1.9
161.02496	2.7
161.04575	32.1
163.04004	3.6
166.02765	3.2
166.32231	1.4
174.99271	3.3
179.03532	2.9
181.05064	11.7
193.05042	3.8
203.02328	1.9
217.00287	8.9
219.01201	1.7
231.03209	1.5
279.04944	1.7
301.09305	44.1
302.09683	5.1
370.01627	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1505
Annotation	Gibboside
Peak:m/z	Relative Intensity
50.84835	0.4
57.03443	1.4
59.01378	7.4
69.03443	0.5
69.32126	1.0
69.32497	2.2
71.01373	2.4
73.02953	2.9
83.05033	1.3
85.02944	1.4
85.70049	0.5
87.00923	0.6
87.04515	3.0
89.02456	1.3
95.01375	0.5
101.02464	0.8
113.02496	1.7
123.56461	0.5
125.09747	0.5
135.08170	1.6
137.09724	11.9
137.87146	0.5
155.10780	96.3
156.11113	4.3
161.04684	0.6
169.12341	0.8
171.10251	0.9
181.08681	1.4
199.09758	100.0
200.10104	5.5
201.11345	1.4
202.98715	0.9
204.48476	0.5
213.11330	1.0
241.10841	5.8
289.59641	0.5
301.20145	0.5
308.87024	0.5
361.14932	1.2
361.22314	7.9
362.22314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.166
Annotation	Humirianthol
Peak:m/z	Relative Intensity
57.03452	42.2
59.01376	8.8
61.98827	6.5
63.92518	1.3
69.93359	4.5
83.05017	3.4
107.05038	2.4
135.04561	2.4
153.89491	1.3
159.08183	6.5
161.02393	2.2
163.30191	1.6
169.77852	1.6
173.09750	3.5
175.86832	1.4
189.12817	13.3
202.98734	1.7
203.14426	3.3
215.14406	22.8
216.14928	1.5
217.15965	2.4
243.13846	1.6
245.19099	2.1
255.17581	4.9
273.18649	11.1
299.16501	4.6
317.17542	9.5
343.15460	3.4
360.11005	1.6
361.16568	100.0
362.16870	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	361.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23352	3.0
57.46286	3.3
59.01375	10.5
61.98823	6.4
69.50903	12.7
69.51254	5.7
76.63849	3.5
83.54081	3.1
85.69128	3.5
99.08164	4.6
109.06587	4.0
118.05927	4.2
124.60615	3.4
124.68763	3.6
125.09664	5.1
127.07660	9.5
153.09180	6.3
163.11349	3.4
171.10283	10.0
174.99229	6.5
185.11821	15.0
197.11887	9.5
202.98753	6.9
209.11819	52.4
237.15002	7.9
276.30350	3.3
289.18066	11.6
307.19138	100.0
308.19559	12.6
325.20206	88.5
326.20508	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	361.179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	73.0
61.98822	88.6
81.59032	22.0
83.79205	25.1
122.97567	52.1
125.09711	34.9
137.09709	42.1
174.99261	46.4
195.63751	26.1
202.98769	37.3
231.68105	28.7
281.33987	34.2
307.19104	100.0
313.63065	30.1
315.13669	27.3
319.22708	81.7
325.20154	60.2
364.46384	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67028	16.6
59.01355	45.9
61.98818	19.4
78.31591	15.9
78.89373	16.2
91.46921	17.3
101.27363	17.3
121.52940	15.4
125.09711	34.7
125.68546	15.7
126.23902	15.4
130.49036	14.6
141.09181	28.3
153.09198	50.6
171.10315	100.0
174.99219	23.1
175.36958	16.5
190.56818	17.9
201.11461	19.8
202.98740	54.1
217.00325	22.6
277.03134	16.4
325.20117	29.0
361.20450	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	361.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48578	1.3
57.03437	1.8
58.00593	2.5
58.21641	1.4
59.01361	6.6
61.98836	1.9
62.88598	1.3
70.82524	2.3
71.01373	4.6
73.02980	1.7
86.84762	1.5
92.51603	1.4
97.06579	1.6
116.37843	1.5
123.08165	1.5
125.09724	5.4
127.11271	3.8
135.08182	1.7
141.12724	1.7
151.11238	2.3
155.10800	2.3
165.09117	1.6
167.10706	1.9
169.12361	1.7
171.10272	92.9
172.10602	3.9
174.99162	3.2
181.83650	1.8
185.11853	15.7
195.10254	3.3
201.11324	43.1
202.98729	3.4
213.11324	100.0
214.11610	5.1
217.00267	1.7
223.13345	10.3
231.12372	56.6
232.12717	2.8
287.16653	2.0
295.26712	1.4
307.19345	1.6
325.20209	5.2
361.16141	2.0
361.22314	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95647	1.1
59.01381	17.8
69.07689	1.4
71.42335	1.5
99.92580	1.7
101.39896	1.3
102.55758	1.4
113.45461	1.2
121.54160	1.3
220.81883	1.3
221.20245	1.5
279.23309	100.0
280.23581	9.3
284.85229	1.6
361.15128	4.5
361.23627	25.1
361.27908	1.1
362.23996	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	361.2383
Annotation	(plusmn)19,20-DiHDPA
Peak:m/z	Relative Intensity
59.01111	1.6
59.01383	18.0
61.98804	1.2
70.62460	0.8
70.99795	1.0
82.47095	0.8
83.65181	0.9
175.51971	0.9
191.42647	0.9
200.54861	0.9
241.80627	0.9
301.21793	6.3
319.22839	10.1
361.23859	100.0
362.24255	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	362.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98828	5.0
69.63599	6.1
96.86758	1.9
103.02384	1.9
117.33184	2.1
135.28629	2.1
140.07184	78.0
143.33844	2.2
148.00586	2.2
182.64359	2.1
184.62904	1.9
257.12939	2.4
302.12186	3.6
338.64499	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	362.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52726	15.0
54.82682	14.7
56.38418	14.2
59.01379	56.5
61.98832	48.8
65.71502	13.5
69.81067	33.5
69.81458	29.9
85.02949	21.3
95.33189	13.8
107.05047	23.8
110.93142	13.5
160.84241	34.6
301.18164	21.6
325.97992	32.5
345.17062	100.0
363.18146	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1972
Annotation	Consiculine
Peak:m/z	Relative Intensity
64.58853	0.4
69.03433	0.6
69.21793	0.5
69.92011	0.9
72.99334	0.6
83.05028	5.4
89.95991	0.5
93.03461	0.6
95.05036	2.4
97.06635	0.6
111.04530	2.1
124.79854	0.5
130.75648	0.5
137.33249	0.5
152.59093	0.4
167.30313	0.4
173.95041	0.5
205.12329	23.2
206.12697	1.1
219.13921	4.3
220.14671	10.8
221.15073	1.3
234.87064	0.5
250.18112	0.8
252.13640	4.6
255.17613	0.5
271.20679	8.3
279.19650	1.6
294.17084	4.0
315.19629	28.9
316.20145	4.1
318.20828	1.0
319.22949	2.4
334.20230	1.0
335.46683	0.6
362.19711	100.0
363.20050	12.0
363.24860	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89808	9.0
58.63067	9.3
59.01393	11.5
61.98821	44.9
64.69856	9.3
70.67569	15.5
70.67905	10.6
99.90735	9.8
111.69534	12.2
114.20647	12.1
116.97243	11.3
162.84099	14.1
203.55399	13.1
305.64175	10.9
319.22745	100.0
329.67334	11.3
381.38889	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	362.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73179	15.6
61.98820	34.3
70.58901	18.5
79.95732	37.1
81.58757	21.3
121.99171	51.6
122.97584	100.0
151.16910	17.1
163.99225	18.0
288.15939	43.1
318.30298	18.7
344.15448	19.6
362.16202	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75817	4.1
59.14016	4.6
69.25449	7.0
69.25757	6.2
69.26054	7.4
69.62802	13.2
69.63252	7.7
85.93502	3.9
92.76382	4.7
98.21960	9.2
113.12969	4.2
123.58978	4.6
319.19028	9.0
319.22751	100.0
320.22949	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	362.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51763	2.5
69.03449	9.8
126.00811	2.4
150.53644	2.7
176.15190	2.5
193.99870	3.1
232.24052	2.6
247.20619	7.1
248.46965	2.7
259.20593	2.8
319.22784	100.0
320.23169	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	362.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
59.97225	16.1
61.98824	46.2
66.57703	17.8
68.45966	17.1
69.15273	100.0
74.70883	18.1
77.72601	16.5
84.41510	17.3
98.21796	30.5
233.87064	16.1
310.22888	17.5
319.22815	25.5
342.22134	19.9
351.77463	16.5
362.19681	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	362.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	48.6
61.98822	68.1
62.86412	14.4
81.68040	14.8
91.24055	15.3
91.95558	15.2
105.52705	18.3
139.19904	15.7
143.10777	20.7
143.24657	16.7
162.45793	16.4
171.10184	20.1
201.11366	18.7
203.16806	15.6
212.32979	18.4
219.97852	16.2
267.78317	15.7
299.92789	16.3
303.19626	56.9
327.21866	30.2
363.15509	30.9
363.21829	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04103	1.2
56.27264	1.0
59.01368	3.3
61.98823	3.5
84.93873	3.2
99.91969	1.9
99.92590	26.2
100.92684	2.0
100.93361	55.1
101.93407	2.3
115.92079	100.0
116.92120	5.3
116.92856	95.5
117.92905	5.7
146.04541	1.0
166.98094	1.9
173.09657	1.4
177.12827	1.8
191.14359	1.3
201.09088	1.6
205.15891	2.4
215.10738	3.9
216.11455	1.7
226.05489	1.3
257.19058	2.0
301.05475	3.3
345.04254	7.7
363.05405	46.3
363.18033	15.1
364.05569	6.4
364.17969	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	363.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02559	0.6
54.44844	0.5
57.03457	1.3
59.01380	21.5
61.98829	100.0
63.57166	0.7
71.01377	6.0
73.02968	1.0
85.02950	1.8
89.02437	3.7
99.00870	0.8
99.75394	0.6
101.02461	3.4
113.02464	1.9
119.03516	1.2
129.05566	0.9
150.03212	1.4
161.04590	1.3
165.05595	2.3
183.10237	2.2
201.11281	1.0
221.08112	0.8
257.12836	0.7
303.14423	0.8
363.16574	20.0
364.16779	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	67.5
61.98833	4.3
63.02398	6.6
65.00323	10.8
69.29389	16.8
71.01404	2.9
83.01385	7.4
85.02948	8.3
89.02436	3.4
98.59985	3.1
102.85953	3.5
107.01372	21.0
109.02991	3.4
113.02463	3.8
119.01334	3.1
120.03466	3.0
125.02376	3.2
133.02980	3.8
135.04520	3.5
136.01666	12.7
141.09215	26.3
147.00890	8.2
151.00365	76.1
152.00990	4.9
158.74403	3.2
161.02461	5.8
167.03458	2.9
171.04492	3.0
175.04059	3.4
178.99863	53.2
179.03488	5.7
199.03996	10.5
201.01959	6.2
215.03540	3.9
227.03523	8.4
233.12096	5.3
241.01254	2.9
243.03008	14.4
246.23796	2.8
255.02974	8.3
259.17062	3.3
270.99524	5.1
271.02478	100.0
272.03159	16.3
294.04022	4.1
299.01965	70.6
300.02692	85.6
301.03403	22.9
319.19379	3.1
331.04565	94.3
332.04819	8.3
363.18250	24.0
364.08325	6.6
382.19345	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	363.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	8.2
61.98822	3.8
71.01373	4.2
86.64404	1.5
89.02443	2.4
93.80759	1.6
93.84921	1.6
96.62009	1.6
100.31751	1.4
101.02425	2.8
108.04559	5.6
121.05302	1.9
123.03254	7.7
136.07718	19.6
138.05618	45.3
212.05896	3.8
214.12305	2.6
227.08295	15.1
228.08818	2.0
242.10622	17.2
243.11029	2.2
257.12970	100.0
258.13361	9.1
330.22525	1.5
345.10883	16.5
346.11392	2.2
363.12094	3.5
363.16705	6.4
365.15271	1.9
384.98090	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23602	12.1
52.63556	14.1
59.01377	15.9
61.98827	28.9
69.03513	14.9
69.09699	12.8
70.66901	26.1
105.26289	12.3
165.09236	43.8
189.46260	14.8
249.70761	13.8
319.19128	32.4
345.17017	29.7
363.17993	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09672	17.9
59.00294	19.0
59.01373	31.0
59.78160	15.6
61.98804	21.1
67.84749	17.2
69.28708	76.0
69.29123	37.0
95.66357	19.1
110.80216	17.7
127.55031	15.3
165.09209	31.7
253.87122	17.6
301.17728	24.3
314.75970	18.4
319.19073	28.5
345.17017	33.2
363.18182	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39982	1.9
55.01895	2.1
57.03447	9.7
59.01381	98.3
61.98834	80.6
66.60451	2.0
67.43613	2.6
71.01379	21.8
71.43230	2.7
73.02947	5.7
73.14702	2.3
85.02949	5.8
89.02445	13.8
101.02438	17.8
101.60191	2.2
113.02443	7.5
119.03462	5.6
161.04523	4.2
168.41769	2.3
176.35297	2.5
183.10245	8.0
232.74448	2.4
257.12961	6.4
303.14554	3.0
345.10690	2.3
363.16620	100.0
364.16953	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.5
61.98820	1.3
62.37128	0.7
69.15256	3.7
69.32411	0.6
71.01395	2.7
73.02959	2.0
85.02970	1.3
89.02452	1.4
101.02464	2.2
109.06522	0.6
113.02455	1.6
136.05307	1.4
139.11295	2.2
166.05098	25.6
184.12119	0.6
201.11325	5.0
202.96698	0.7
202.98744	0.6
304.11856	1.5
309.13586	0.8
316.25983	0.8
322.13034	1.5
363.18430	1.4
364.08249	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1814
Annotation	Junceellolide H
Peak:m/z	Relative Intensity
50.40836	0.9
57.03431	1.3
59.01385	1.1
61.98836	1.1
62.08406	0.9
69.49730	4.2
70.41706	1.1
81.50787	0.8
83.05032	6.7
92.07340	1.1
97.46728	0.9
98.22617	1.7
107.05069	1.2
109.06532	0.9
118.13126	0.9
122.40888	0.9
135.04510	1.0
135.08170	1.6
135.09221	0.8
140.90134	0.9
163.07727	0.9
171.10257	1.5
172.74094	0.9
189.12801	2.6
191.14455	1.3
200.97223	0.9
227.14406	1.7
231.13947	1.8
241.15965	2.8
245.15443	12.0
246.15700	2.2
249.14952	1.6
255.17537	6.4
256.17783	1.0
257.19113	7.4
259.17020	0.9
268.14755	1.5
271.13412	5.6
273.18762	1.5
275.20078	1.9
283.17090	5.4
289.14481	15.4
289.17575	1.6
289.21625	2.8
290.14798	1.7
301.18039	14.9
302.18298	1.3
317.17709	1.1
319.19110	12.5
320.19312	1.0
321.20560	1.9
327.15985	3.0
327.21912	1.2
336.76657	0.9
345.17047	78.3
346.17337	8.5
363.18057	100.0
363.21759	6.7
364.18463	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	363.1814
Annotation	Gibberellin A123
Peak:m/z	Relative Intensity
59.01375	0.9
61.98820	1.2
69.03457	1.1
71.17789	1.1
73.45284	0.8
83.05033	1.3
85.02968	1.3
89.72483	0.8
93.91972	0.8
124.01733	1.4
144.65115	0.9
235.76494	0.9
257.18976	4.1
263.16541	9.4
275.20142	64.6
276.20474	6.9
301.18134	3.7
319.19122	12.4
320.19550	1.4
345.16986	5.5
346.66846	1.0
363.18124	100.0
364.18402	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	363.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	5.8
59.01381	6.8
61.98822	21.6
113.09744	9.4
125.09743	7.0
146.49850	4.9
171.10217	9.3
186.77606	6.1
201.11298	37.9
209.88516	4.9
213.11339	19.3
291.19559	6.8
309.20853	10.6
327.21805	100.0
328.22217	11.2
353.71353	5.6
358.67331	5.8
363.21484	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	363.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77910	19.2
59.01371	21.0
61.95707	16.4
61.98822	56.4
62.60498	16.3
88.19101	19.5
94.55318	18.7
99.70583	19.1
121.22510	21.0
125.09741	74.3
143.10760	62.8
174.33237	18.2
187.09863	20.6
201.11356	100.0
290.16241	18.2
309.20761	28.8
327.21854	68.4
331.19000	39.9
363.21750	84.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98814	1.6
71.01363	2.7
73.02954	2.7
85.02961	1.9
101.02450	2.7
105.28667	1.0
145.46152	1.0
146.43570	1.2
166.05135	6.2
210.30910	1.2
262.16718	1.2
321.19049	2.4
355.45963	1.3
363.18323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98814	1.6
71.01363	2.7
73.02954	2.7
85.02961	1.9
101.02450	2.7
105.28667	1.0
145.46152	1.0
146.43570	1.2
166.05135	6.2
210.30910	1.2
262.16718	1.2
321.19049	2.4
355.45963	1.3
363.18323	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51453	1.9
60.82043	2.1
60.86929	1.7
71.43591	2.5
73.64223	2.0
93.85014	1.6
96.96038	2.4
127.02262	3.3
146.51047	1.7
154.13809	1.7
171.10278	33.4
191.47073	1.8
256.11069	1.9
262.39948	2.3
277.21741	37.5
295.22787	100.0
296.23187	9.2
317.20987	13.9
363.21506	40.6
364.21191	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2178
Annotation	nor-Asbestinin A
Peak:m/z	Relative Intensity
59.01382	37.2
59.08647	1.2
61.98829	2.8
68.12105	1.2
71.14241	2.4
76.15163	1.4
79.95707	3.0
81.08738	1.2
83.05017	3.4
98.86564	1.3
224.38078	1.3
254.94757	1.5
259.20682	18.3
303.19650	100.0
304.20001	9.1
319.22772	3.0
320.19403	1.8
321.20505	1.5
331.19492	1.5
363.21780	93.8
364.21866	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	44.8
61.98838	10.3
67.38876	4.9
67.64175	3.8
71.07342	4.6
72.77909	4.8
83.05016	27.5
84.02157	7.1
95.05105	3.8
95.82843	3.7
137.09703	11.4
155.10815	16.5
171.10272	69.9
189.86752	3.9
243.17584	4.5
259.20517	4.4
287.20047	4.5
287.25125	4.0
303.19666	57.8
304.20251	4.5
319.22736	6.3
325.20233	4.6
327.21774	27.2
359.40887	5.0
363.17496	8.2
363.21774	100.0
364.22174	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	363.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	100.0
63.27359	78.7
87.95074	78.5
97.80109	86.0
131.42355	87.3
296.82272	88.4
345.11661	95.2
345.16327	87.3
373.75937	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59644	27.5
60.54491	29.5
61.98835	30.9
62.34777	33.8
68.43250	28.3
70.18188	73.1
98.22628	36.2
116.92877	31.3
116.97235	52.8
118.20296	28.9
164.19441	30.4
205.50845	30.0
320.56229	32.9
363.25168	100.0
364.25391	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36639	57.8
69.37050	100.0
128.52983	27.9
160.19398	27.5
226.35748	28.2
279.56906	27.6
308.02625	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2654
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22908	73.7
61.98836	100.0
65.19984	69.9
116.97216	77.7
126.63144	70.4
151.42543	75.9
212.99580	78.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12547	1.2
58.25913	1.1
59.01371	5.6
61.98830	100.0
62.92045	1.1
63.02394	3.1
65.00316	5.5
68.19748	1.1
69.22623	1.1
83.01384	4.3
88.04041	2.4
90.42204	1.2
93.03442	1.6
95.05039	1.2
105.96257	1.2
107.01396	13.0
109.02971	1.2
113.71127	1.2
115.92093	2.1
116.92838	1.9
117.92892	2.0
121.02962	8.6
128.41524	1.2
143.10789	3.0
151.00375	38.3
152.00812	1.2
169.01427	2.3
177.12952	1.6
178.99857	15.2
194.90274	1.1
199.09402	1.2
205.15958	2.5
206.16350	1.3
211.29680	1.0
257.18842	1.2
273.04105	3.6
275.20065	1.2
291.11487	1.3
301.03534	93.8
302.03867	9.4
320.19269	1.3
363.18073	5.3
364.06064	1.4
364.18115	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	364.0806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	91.8
60.01705	9.2
61.98808	4.2
62.95456	3.1
66.59321	3.1
69.26294	5.6
69.26696	9.9
71.01389	7.0
73.02952	8.3
101.02442	6.0
142.71725	2.9
166.05096	100.0
167.05446	5.2
191.14400	8.4
257.08923	3.3
261.18555	9.8
264.67252	2.9
364.08044	4.3
365.19849	16.4
377.80365	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	364.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.3
61.98816	1.3
70.66682	0.8
70.67004	1.0
70.86406	1.0
83.05026	29.3
147.64160	0.7
157.60730	0.9
195.29720	0.8
201.02512	0.9
205.12326	35.8
206.12669	2.3
219.13820	7.5
220.14680	16.2
221.14960	1.7
252.13622	8.3
259.20728	2.2
273.22116	1.0
297.81049	0.9
303.19638	39.1
304.19940	4.7
317.21225	18.6
318.21597	1.4
321.24295	6.8
333.20798	1.0
334.20813	1.3
346.20242	1.8
364.21292	100.0
365.21756	12.3
365.26465	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	364.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.9
60.00906	7.1
61.35789	0.5
61.98827	1.3
62.42461	0.5
67.51899	0.5
69.96534	0.9
69.96883	1.1
78.32236	0.5
83.05025	38.1
84.05360	1.5
120.93937	0.6
126.05603	4.4
160.94263	0.5
179.69014	0.5
195.05679	0.5
203.54155	0.6
205.12329	0.8
259.20737	3.9
260.20990	0.6
285.18509	0.9
290.21143	0.8
299.20020	0.9
300.20895	1.2
303.19650	100.0
304.20016	10.9
321.24405	6.7
322.24792	0.6
334.20346	2.4
346.20248	7.9
364.21152	1.4
387.56577	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.9
60.00907	2.1
61.98814	2.0
66.03492	0.9
69.48705	1.9
69.49092	1.4
70.64314	0.7
71.69806	0.7
81.02197	3.6
82.02998	2.5
94.02998	3.4
102.87212	0.8
107.03773	13.9
108.04559	7.3
110.16898	0.8
113.04870	0.9
125.04801	1.7
165.14696	0.8
182.60529	0.9
205.12300	4.1
214.49463	0.9
219.13841	4.1
220.14641	2.0
221.82220	0.9
257.19467	0.9
268.17130	4.3
274.21857	1.7
275.20184	1.0
284.20184	11.0
285.20737	2.9
299.20163	3.1
300.20544	1.1
302.21295	8.3
328.19156	1.3
334.20203	3.5
346.20215	100.0
347.20557	11.9
358.97134	0.8
364.21274	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	364.213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.5
61.98823	2.8
69.62497	5.6
83.04512	1.9
83.05025	31.1
98.21931	3.2
152.77853	1.5
205.12323	42.7
206.12619	3.7
219.13853	8.2
220.14691	13.3
221.15373	2.0
245.40100	1.5
252.13667	6.8
273.22293	2.1
302.21252	5.6
302.81833	1.6
303.19632	33.3
304.20050	4.6
305.21259	1.8
317.21078	11.1
319.22543	2.4
321.24265	1.7
343.10220	1.6
346.20120	3.5
364.21265	100.0
365.21655	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	364.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.26321	13.9
59.01362	23.9
59.11837	13.1
61.98816	32.9
69.00504	12.9
69.47569	48.9
70.96402	11.6
94.73267	12.8
116.16644	11.6
134.16197	12.1
171.43970	12.5
184.00992	11.8
222.08659	20.6
260.16339	15.1
303.19534	14.1
321.24313	100.0
329.17493	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	62.5
71.01381	34.7
73.02927	3.7
85.02950	9.3
87.00885	2.6
89.02444	33.8
97.06587	2.6
101.02441	24.4
109.06586	2.9
110.76856	2.6
113.02463	13.4
119.03481	11.8
123.04510	6.7
144.37590	2.3
151.04088	2.5
152.01195	3.5
154.74875	2.5
157.70512	2.9
160.04980	2.4
161.04572	6.7
166.02744	3.0
167.03476	26.2
169.83617	2.7
173.30965	3.0
178.79958	2.4
181.05005	2.7
184.09532	2.7
209.04553	14.8
217.42647	2.9
228.60812	2.9
253.30827	2.5
329.08759	100.0
330.09048	11.6
365.18127	9.9
365.63757	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98547	5.9
55.27000	6.2
59.01377	100.0
61.98841	7.6
71.01383	21.1
87.00855	5.4
89.02426	16.3
101.02390	10.3
113.02446	9.3
119.03535	6.9
123.04523	6.6
140.36058	6.0
222.69852	5.6
270.37729	6.5
305.12369	11.5
363.52124	6.6
379.98117	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	365.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.14244	0.9
61.98807	1.8
71.01360	2.3
72.99299	1.0
79.42512	1.0
79.63986	0.8
85.02940	1.8
89.02440	2.8
98.21809	1.9
101.02440	2.5
113.02428	3.7
143.10779	67.6
144.11139	2.3
154.04190	1.0
157.12326	1.8
159.00424	1.2
161.04686	1.9
161.06070	7.7
162.09912	1.1
173.44449	1.1
201.02507	1.5
217.68233	1.0
276.39523	1.0
305.16037	2.5
347.18600	1.5
365.19373	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	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.8
59.01379	100.0
60.01738	0.7
61.98824	1.4
70.73085	1.3
71.01385	1.2
73.02949	1.8
75.00903	0.6
87.04488	0.8
91.61916	0.7
92.05089	0.7
108.10989	0.7
142.12071	0.8
194.37933	0.6
207.14183	0.7
215.14445	1.2
243.17580	1.3
261.18842	1.1
305.11890	0.9
321.20636	0.7
347.18958	2.2
365.15378	1.2
365.19705	16.8
366.20145	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	365.1968
Annotation	11-dehydro-TXB3
Peak:m/z	Relative Intensity
55.01864	1.3
55.88423	1.3
57.03456	6.2
57.49998	1.3
59.01378	5.4
83.05019	2.6
85.02957	12.8
87.04494	1.5
94.77447	1.3
101.02450	2.3
119.36429	1.1
175.51756	1.0
217.16008	4.6
219.17509	8.8
237.70384	1.3
243.17526	2.8
247.20735	1.4
259.20673	11.7
303.19623	7.1
304.20108	1.9
305.17514	2.1
321.20865	6.3
326.32697	1.2
329.17581	4.1
347.18753	6.2
365.19659	100.0
366.15805	1.9
366.20023	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	365.1971
Annotation	Spirocardin A
Peak:m/z	Relative Intensity
51.33672	3.3
51.49771	3.0
55.01880	9.6
56.31960	3.3
57.03452	19.3
59.01393	17.3
59.67609	3.9
61.80612	3.2
61.98848	4.0
69.00931	9.7
69.03462	3.6
69.24671	16.2
71.01392	4.3
71.05025	10.4
73.02936	14.9
74.21394	2.9
74.62917	3.4
76.55280	3.7
83.05029	66.4
85.02953	100.0
87.04524	5.3
93.03448	7.9
97.06584	10.5
103.09303	3.6
105.03412	3.2
107.05054	5.5
109.06599	5.3
111.04519	61.3
175.11247	3.4
191.14435	9.2
215.14450	6.4
217.15964	13.2
235.17043	22.8
243.17458	4.6
247.20741	5.5
257.19354	3.8
261.18619	8.9
273.18530	3.7
279.15982	13.6
279.82562	3.6
291.19763	29.1
329.23233	12.1
335.18692	4.3
365.19669	84.7
365.23480	8.5
366.19922	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	365.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	81.0
61.98825	100.0
70.80854	35.7
90.82783	30.8
102.93169	30.0
119.06335	26.8
122.65617	27.8
122.66519	24.6
125.87280	27.0
170.33928	31.9
201.02541	53.7
285.71979	29.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.233
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01373	1.7
61.05205	0.4
65.17025	0.4
69.15910	0.4
70.74770	0.6
74.20313	0.4
78.21578	0.4
83.05012	0.7
91.04058	0.5
93.07110	0.8
95.04968	0.5
97.06602	1.2
111.08120	1.1
116.07125	0.4
116.57710	0.4
121.10234	10.4
125.09723	4.6
141.12856	0.7
147.08189	1.5
147.14311	0.5
171.10240	1.0
185.11842	10.6
186.12138	0.6
197.11810	1.9
209.11952	1.4
211.13387	1.4
223.13422	1.0
247.20671	0.6
273.18643	1.9
291.19659	100.0
292.20001	9.2
364.42462	0.5
365.23260	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	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51716	0.6
59.01370	0.9
83.08947	0.7
86.55690	0.7
91.22399	0.7
113.04575	0.7
118.77546	0.6
153.31908	0.7
155.14409	1.3
163.11279	1.8
165.12849	2.7
181.12283	1.6
199.13388	30.4
200.10878	0.8
200.13693	2.0
228.89333	0.8
260.72696	0.8
343.08295	0.7
347.25879	4.6
348.26276	0.9
365.26944	100.0
366.27295	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	365.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65368	0.7
59.01379	1.2
63.68420	0.8
67.87951	0.9
70.51855	1.9
85.06593	2.7
117.16644	1.0
147.38120	0.9
162.55371	0.9
199.13414	1.9
234.80882	0.8
262.50644	0.9
279.19638	17.7
280.19922	1.6
287.96750	0.9
347.25845	9.1
348.26566	1.1
361.47403	1.0
365.26950	100.0
366.27310	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	365.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92370	3.7
52.77785	3.9
53.70461	4.4
59.01387	5.5
61.89103	3.8
61.98817	6.9
68.77081	4.2
70.50023	5.6
81.03662	3.8
102.77899	4.6
114.03516	4.2
184.39645	3.6
199.13446	10.1
214.63292	3.8
279.19778	11.8
283.85187	4.4
314.37952	4.8
347.25989	30.0
365.26898	100.0
366.27475	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	366.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76045	0.5
53.70653	0.5
56.04248	0.6
57.03451	1.5
61.98830	100.0
62.46537	0.5
70.15116	1.7
70.92598	0.5
123.04614	0.8
125.02443	13.1
149.02533	0.7
151.00389	1.8
151.04036	1.0
152.01189	1.0
153.01976	1.2
166.85515	0.5
167.04413	0.6
175.04053	2.1
177.01889	3.6
178.99915	1.4
199.04021	0.8
217.05124	1.8
243.51599	0.6
259.06216	0.6
275.05688	1.0
285.04062	12.0
286.04727	0.9
303.05093	10.8
304.05493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.0
59.01384	0.8
61.98833	100.0
71.80112	0.6
73.47198	0.6
77.79221	0.7
83.01386	1.4
95.69566	0.6
107.01444	0.6
123.04556	1.3
125.02449	18.2
126.02791	0.9
133.55412	0.7
149.02495	0.9
150.03339	0.6
151.00410	2.4
151.04027	1.2
152.01202	1.4
152.07123	0.6
153.01912	2.9
174.03221	0.7
175.04082	2.7
177.01926	4.2
178.99910	2.1
181.01396	0.7
189.05629	0.9
199.04129	1.0
215.28986	0.7
217.05113	1.8
237.19260	0.5
241.05220	1.8
259.06189	1.3
259.47440	0.6
275.05734	1.2
285.04083	13.5
286.04416	1.4
303.05103	16.1
304.05612	1.1
312.83517	0.7
365.19647	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	366.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	18.5
61.66736	2.3
61.90905	2.2
61.98824	5.3
62.08823	1.8
62.87221	1.8
68.22796	2.0
71.01395	8.2
71.42249	2.5
73.02937	3.3
85.02975	6.9
86.00109	3.0
87.00883	19.3
89.02457	2.4
90.12844	2.0
94.02959	2.1
110.02560	2.3
111.00867	4.5
113.02457	6.0
117.01977	4.9
121.05315	2.3
122.03774	2.2
122.06119	27.8
129.01956	4.0
134.06104	4.7
136.03706	2.1
136.07692	16.2
138.05562	2.1
139.15729	2.0
150.05611	90.2
151.05937	5.1
152.07211	8.7
162.05646	4.2
164.07175	4.1
165.58673	2.3
168.99992	3.8
172.01048	2.8
172.97659	2.2
176.07191	11.0
187.96373	2.3
192.95908	3.6
194.08199	4.9
198.04132	2.3
234.97070	2.2
239.99557	6.0
252.08830	3.1
274.20764	2.1
296.96994	4.1
312.10910	37.3
322.94940	8.1
330.11942	100.0
331.07773	2.2
331.12253	8.6
366.13998	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	366.192
Annotation	Isariotin D
Peak:m/z	Relative Intensity
57.03446	1.8
59.01369	2.4
63.04315	0.5
67.76298	0.5
69.03465	2.5
69.22079	1.8
69.22488	0.9
70.02982	1.1
71.01382	30.8
71.05020	1.3
71.80032	0.5
72.04552	3.0
72.39476	0.5
88.04043	8.8
96.04496	0.8
96.99313	1.3
97.98325	0.5
98.06116	19.9
98.21896	1.1
99.04519	1.9
100.07687	1.1
108.04543	0.9
108.08204	1.8
110.06128	3.5
114.01984	0.8
115.00375	22.1
115.44688	0.5
126.09247	5.4
138.09229	0.6
140.28328	0.5
158.37366	0.6
167.70439	0.5
169.07401	0.5
176.95866	0.5
180.13878	3.0
180.42494	0.5
181.84923	0.5
218.70589	0.4
250.18105	3.7
251.16499	19.9
252.16826	1.4
290.93433	0.5
303.22964	0.5
304.19205	1.6
307.08582	0.9
322.20264	13.5
323.20615	1.4
328.22098	1.3
335.73877	0.4
348.18195	1.3
366.19193	100.0
367.10797	0.8
367.19547	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	366.192
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
65.53367	3.2
111.77391	3.4
291.19608	3.9
292.19971	24.6
320.23175	5.4
325.81888	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	366.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	3.7
59.01359	4.1
65.59886	2.4
70.97246	4.0
104.42007	3.1
113.09711	7.3
114.10040	5.6
152.11623	3.2
164.00250	3.0
168.38998	3.2
171.10226	3.4
200.14319	3.2
201.11369	21.1
202.11731	27.7
213.11316	10.8
214.11690	17.0
235.98756	3.2
238.60237	3.5
292.19894	12.0
310.20947	9.1
328.22058	100.0
329.22491	5.8
330.23007	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	366.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80571	4.6
61.98818	6.8
69.80730	11.0
83.05946	4.7
87.11221	4.7
94.91184	4.9
105.58747	4.4
116.92863	5.0
127.50600	4.5
137.91728	4.1
139.53394	4.7
269.50809	5.1
301.21454	5.9
338.76663	5.5
366.20428	100.0
367.20892	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	366.2048
Annotation	Bambuterol
Peak:m/z	Relative Intensity
50.34902	0.7
57.39566	0.7
70.51336	1.5
93.58490	0.7
94.98103	0.8
145.35240	0.9
241.24748	0.8
301.21704	4.6
302.22189	1.0
347.90741	0.8
366.20465	100.0
367.20786	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	366.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98265	9.5
98.22665	39.0
198.02010	10.6
223.20129	11.8
263.16434	24.0
265.18015	77.5
281.17230	10.9
328.46902	12.2
349.23782	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	367.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53831	0.9
58.00579	0.7
59.01360	1.3
60.27951	0.7
66.95991	0.8
67.01886	13.3
69.37017	3.6
71.01370	4.2
72.99306	0.8
73.02950	1.1
78.95930	1.1
85.01032	2.0
85.02958	2.9
89.02432	1.1
94.35214	0.8
98.21760	1.4
99.04540	5.6
101.02438	0.8
111.00885	100.0
112.01223	2.8
113.02439	3.7
115.02077	6.8
117.01956	1.0
125.02462	1.3
129.01941	1.1
133.01422	1.8
143.03506	46.6
144.03841	1.7
151.00072	1.4
157.03163	2.6
157.91464	0.8
168.99977	1.5
187.02524	2.0
187.04199	6.2
205.05228	1.8
277.07327	4.6
296.49179	0.9
367.10513	10.0
368.10962	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02972	2.1
59.01381	10.1
59.55054	0.7
60.97536	2.2
61.98824	3.1
64.57830	0.7
69.22647	3.1
70.02972	11.0
71.01383	1.3
71.05019	16.0
85.02934	1.2
87.05637	6.6
87.07807	0.7
88.97028	30.4
92.75165	0.7
99.04517	4.8
106.17946	1.0
109.02956	1.4
115.05125	1.6
116.07178	2.6
121.02916	1.6
128.03615	0.8
129.05653	2.1
130.03316	9.6
135.04498	1.8
146.08234	90.6
147.05980	3.9
147.08571	3.4
161.02448	1.2
179.03543	1.5
209.04637	0.8
211.49232	0.8
217.11916	18.7
218.12236	1.3
273.12399	1.0
275.10666	1.5
277.12268	100.0
278.12598	6.9
308.21616	0.8
367.03110	0.9
367.10086	6.1
367.21185	2.1
391.82297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1053
Annotation	Cnidioside A
Peak:m/z	Relative Intensity
52.89997	0.7
57.03435	1.1
59.01383	7.7
61.01009	2.5
67.01888	4.8
67.07868	0.7
69.03458	1.2
71.01383	38.6
71.42865	0.9
72.99306	3.4
73.02951	5.3
78.95907	2.7
81.03448	1.3
83.01403	2.0
85.01023	19.7
85.02953	27.2
87.00880	1.9
88.04047	1.3
89.02441	4.1
92.92785	1.4
94.92525	2.4
95.01375	2.6
95.91582	0.9
97.02956	2.0
99.00842	1.0
99.04514	2.7
101.02431	4.4
107.20826	1.0
110.89887	1.1
111.00886	48.9
112.01231	1.4
113.02452	30.0
115.00425	5.1
115.02085	57.7
116.92844	1.0
117.01957	7.8
119.82677	0.8
125.02466	6.4
126.90493	0.8
127.02087	10.6
129.01930	9.6
131.04628	1.6
133.01425	10.4
133.03159	0.8
136.98779	0.8
141.00459	1.2
141.28339	0.8
143.02094	5.6
143.03491	18.7
143.11873	0.9
144.02100	0.9
144.03754	1.1
145.03151	7.9
150.98941	1.7
151.00127	9.9
152.95908	1.3
157.03130	24.3
161.04572	0.9
166.97528	2.2
168.99934	8.3
169.01224	1.1
169.03058	5.7
170.96985	2.3
171.01576	1.2
173.00943	2.9
176.98067	1.6
186.04607	1.2
187.04189	42.0
187.10870	4.8
188.04530	1.9
194.99095	3.2
205.05217	16.7
210.96533	1.0
211.00996	1.2
212.98868	1.5
216.97246	1.0
217.05278	2.6
224.93394	4.7
232.94691	1.0
247.06377	2.4
268.92212	2.4
277.07370	33.0
278.07718	1.7
280.95551	3.2
290.90714	1.5
292.90295	1.5
292.95532	1.8
304.95517	1.8
306.88043	1.3
307.08463	3.5
322.96701	3.3
330.91171	1.1
337.09525	1.0
367.10541	100.0
368.10883	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81658	1.1
56.39747	1.0
59.01362	2.4
59.89024	1.1
69.45835	2.6
72.00906	12.8
103.05540	1.2
143.23500	1.0
147.04521	40.1
148.04868	1.9
161.04382	1.0
164.07164	100.0
165.07495	4.3
196.27875	1.2
207.82010	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94476	41.3
59.01366	100.0
61.98826	65.2
68.41064	47.6
79.59993	39.4
94.74167	39.7
96.95984	87.2
103.73040	41.0
171.47452	47.4
194.92749	49.6
264.24118	44.2
367.11005	49.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	69.7
59.15929	14.3
59.43556	14.1
61.98833	28.5
63.17499	14.8
69.59668	44.6
69.60053	29.7
93.55799	16.6
94.32322	14.6
99.06003	17.9
123.81728	15.7
130.08665	17.4
130.90260	14.8
135.04541	18.2
136.47980	16.1
155.67140	16.4
171.85567	16.9
194.34087	14.3
237.48151	20.0
331.25436	17.4
367.17328	24.2
367.21228	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	69.7
59.15929	14.3
59.43556	14.1
61.98833	28.5
63.17499	14.8
69.59668	44.6
69.60053	29.7
93.55799	16.6
94.32322	14.6
99.06003	17.9
123.81728	15.7
130.08665	17.4
130.90260	14.8
135.04541	18.2
136.47980	16.1
155.67140	16.4
171.85567	16.9
194.34087	14.3
237.48151	20.0
331.25436	17.4
367.17328	24.2
367.21228	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	367.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26552	8.5
53.00964	8.3
55.01881	11.1
59.01387	57.4
61.98844	10.2
71.01378	99.6
73.02943	18.7
83.01406	9.2
84.50995	7.7
85.02934	58.3
87.00899	14.8
89.02463	13.7
89.95197	10.8
90.23867	8.9
95.01373	18.4
97.02978	8.6
101.02460	16.7
111.00887	11.2
113.02457	65.1
121.02958	12.8
125.30927	8.5
126.26060	8.4
136.05312	14.6
138.06862	18.0
152.08456	79.4
153.09219	100.0
161.04573	9.4
161.09761	7.6
165.09196	19.9
176.03458	9.0
184.56012	9.0
193.05083	9.6
205.12341	85.0
206.12787	8.6
217.93199	9.7
223.13495	10.3
230.09575	9.5
323.10895	10.2
323.77628	8.7
367.09714	9.0
367.17627	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36052	6.5
52.30512	7.1
54.58232	6.8
56.90580	7.6
58.05638	6.6
59.01356	12.4
61.98828	12.8
66.91889	6.8
69.35497	36.7
73.02948	10.9
77.53819	7.2
78.95928	7.8
98.22729	12.9
154.42375	6.6
161.02415	7.1
182.58174	6.9
199.13437	25.0
243.44041	7.2
263.12213	7.2
364.25854	6.7
367.21277	100.0
368.21552	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	367.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.61903	6.9
61.98835	15.1
70.46484	11.6
71.01374	7.2
73.02956	11.9
73.43143	6.7
82.99243	5.8
84.78655	6.1
85.02950	7.0
85.70274	6.6
89.85381	7.7
90.74129	6.9
97.63943	5.9
101.02465	9.4
101.22541	7.0
116.05146	5.6
121.02972	24.8
125.87250	7.6
171.10297	17.8
192.95816	7.5
209.04547	9.4
367.21228	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	5.3
57.03449	5.8
58.00590	1.5
58.99215	0.7
59.01378	81.8
60.01706	1.5
61.98828	2.1
69.03445	2.2
69.40075	3.7
71.01379	58.8
71.05016	0.9
72.01720	0.9
72.99310	2.9
73.02948	22.3
75.00854	1.7
81.03467	0.8
83.01385	13.4
85.02955	27.9
87.00886	3.2
89.02442	29.3
95.01393	3.4
97.02930	3.8
99.00880	9.9
101.02441	66.8
102.02776	1.9
105.80665	0.8
109.02917	0.9
111.00894	4.9
113.02454	18.0
115.04054	1.3
119.03538	2.0
119.26788	0.7
125.02436	4.1
129.01939	1.7
131.03502	20.0
131.04451	1.2
132.03874	1.0
134.03732	2.3
139.04005	1.1
143.03490	3.7
149.04572	8.3
159.03011	2.6
161.02576	1.0
161.04567	14.9
168.74524	1.0
173.04622	1.0
193.05078	3.4
210.80223	0.8
212.19370	0.8
215.05614	1.0
216.10204	0.9
217.10777	1.5
233.06659	3.0
235.11862	100.0
236.12085	5.1
367.16074	73.4
367.20837	1.9
368.16452	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	367.1609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62029	0.8
53.92862	0.8
57.19248	0.8
59.01378	99.9
60.01709	1.2
61.98840	1.1
69.03445	2.0
70.57903	1.3
71.01387	6.9
72.33632	0.9
73.02954	5.8
77.20668	0.8
77.44473	0.9
78.30869	0.8
83.01379	3.5
85.02943	3.1
89.02437	4.4
89.29881	0.9
90.70429	0.9
99.50476	0.9
101.02442	8.6
103.17370	0.8
109.62601	0.9
113.02454	13.5
119.03476	5.4
131.03477	1.1
143.03564	1.1
144.90860	1.0
145.08705	100.0
146.09058	4.4
151.48123	0.9
161.04529	4.2
187.09752	2.9
217.10718	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78173	1.5
59.01380	100.0
63.06878	1.4
66.33765	1.7
71.01392	12.1
73.02950	5.7
80.51623	1.4
85.02968	5.8
89.02447	2.2
99.00851	2.0
101.02425	8.4
105.24873	1.5
109.53300	1.7
113.02457	6.1
128.03456	1.6
138.14935	1.6
138.63037	1.7
159.02930	1.8
161.04550	15.4
287.92450	1.7
295.40811	1.7
307.17590	29.4
308.18079	2.0
331.90710	3.5
367.20947	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	367.2489
Annotation	Cortol
Peak:m/z	Relative Intensity
57.03449	2.9
59.01384	5.0
61.98831	2.8
69.69803	3.0
71.01400	1.2
74.02107	1.0
78.95908	2.5
83.05020	2.5
86.53855	0.9
87.91936	1.1
98.22578	2.0
100.34461	0.9
113.09715	12.3
116.19115	1.1
137.09692	2.5
139.11313	1.5
155.10777	1.6
167.10796	1.6
171.10208	2.5
177.12766	1.5
179.10754	1.9
195.13983	2.9
202.98776	1.7
216.93311	1.2
217.00209	2.2
249.22215	2.0
269.21130	3.7
291.19778	2.1
293.21234	100.0
294.21503	11.1
301.70840	1.0
303.19556	2.1
309.20737	4.2
331.19049	1.3
357.64578	1.0
367.16821	10.3
368.18390	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2641
Annotation	Chemanox 22
Peak:m/z	Relative Intensity
71.41637	0.5
96.84696	0.5
113.77543	0.5
115.87885	0.5
133.06590	2.1
149.09723	83.8
150.10043	4.5
183.45668	0.5
189.12975	0.5
205.15967	82.0
206.16304	4.7
279.60794	0.5
367.26398	100.0
368.26743	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	367.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
70.92050	65.1
85.88437	62.2
96.96070	62.6
119.59824	54.8
135.60143	61.4
195.21773	61.0
251.49959	60.9
276.07162	67.3
311.98343	67.8
367.20926	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	368.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.64952	1.0
78.10010	0.3
78.71850	0.4
153.01952	1.7
250.34427	0.4
255.57549	0.4
298.14191	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.8
59.01380	5.4
61.98837	3.0
65.53848	1.2
68.18535	1.3
71.01395	1.1
71.42934	1.2
73.02951	6.6
75.38980	1.2
78.79799	1.1
79.92762	1.2
83.05044	3.7
84.04554	6.0
85.02972	1.3
85.49487	1.2
95.05032	2.1
96.04598	1.5
97.02950	1.6
100.04094	5.8
102.05611	87.6
108.04548	3.0
108.25627	1.2
109.06598	1.9
110.06121	2.3
112.04050	4.4
112.07636	2.0
115.04025	2.2
121.63361	1.3
124.08677	1.3
126.05594	1.5
127.03979	1.6
128.03545	82.8
129.03889	2.4
132.79883	1.2
133.10258	3.1
135.04604	1.3
135.08224	1.2
135.70871	1.4
135.92363	1.2
138.05649	1.8
146.04601	100.0
147.04872	2.1
151.11316	4.3
156.60512	1.6
176.10857	2.2
177.09196	8.4
195.10240	3.9
200.14198	1.4
221.08232	1.3
239.09230	10.7
240.09650	1.6
309.06247	1.5
324.14514	4.6
350.12454	6.8
368.13510	63.4
368.20947	2.3
369.13776	5.6
391.86978	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.0
59.01376	7.4
61.98846	2.9
69.03460	4.1
70.80173	4.3
71.01381	2.6
73.02955	10.0
74.04388	2.5
83.05019	8.1
84.04555	10.1
95.05034	2.6
97.06551	3.3
100.04076	3.2
102.05606	77.7
102.06254	4.7
103.05959	2.8
109.06621	2.4
115.04018	3.2
128.03537	67.1
133.10243	7.1
146.04608	6.3
151.11293	4.7
161.09688	3.3
177.09256	11.0
195.10338	3.6
218.15506	2.6
239.09248	54.2
240.09702	2.6
274.84314	3.1
292.54846	2.4
298.73520	2.8
300.91318	2.6
324.14560	17.7
350.12491	29.9
368.13559	100.0
368.21024	12.5
369.13943	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	368.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05108	18.9
57.01805	16.3
59.01372	100.0
61.98835	39.4
65.31470	18.3
69.49325	16.5
69.77551	32.0
69.77932	28.8
71.01378	30.2
72.10239	15.1
78.91869	25.7
79.84928	16.7
81.78432	16.3
83.01420	17.5
84.42165	16.5
85.02923	26.3
88.02957	17.3
88.04029	23.1
89.02450	20.1
95.78569	17.4
98.22521	27.1
99.06680	19.2
101.02477	22.2
102.05612	93.3
128.03523	87.4
130.08702	54.6
146.04543	25.1
282.91470	19.1
323.09387	23.7
324.18140	24.2
339.08801	38.6
354.11157	27.4
368.13147	44.5
368.17514	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36996	0.4
52.28292	0.4
59.01375	0.8
70.65945	0.8
70.66307	0.4
78.95904	4.2
88.39566	0.4
89.50296	0.4
98.21948	0.4
121.02966	0.9
125.09694	0.7
127.11349	2.3
140.01189	1.5
152.99568	2.2
153.09172	0.7
156.08275	0.5
158.84694	0.9
160.84120	0.6
171.10271	100.0
172.10611	5.4
196.03807	1.0
214.04950	2.3
290.58463	0.5
367.89230	0.7
368.14722	7.8
369.14935	0.8
375.91287	0.5
386.41031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21863	2.9
59.01375	4.8
61.98829	100.0
65.38304	3.1
114.48695	3.0
120.43380	2.8
122.43721	3.1
131.59680	3.3
141.25475	3.5
143.88071	3.3
166.99448	3.3
200.62932	3.4
259.49387	3.4
286.23868	4.1
333.20850	5.4
368.23441	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	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49014	0.7
54.42592	0.7
55.55975	0.6
59.01390	0.8
61.98829	100.0
63.49450	0.6
69.72946	2.3
72.96118	0.6
138.03421	0.6
191.14371	0.8
261.18671	0.8
272.25952	0.7
305.17596	1.6
368.21600	2.8
369.22940	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	368.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.1
61.98831	100.0
62.93560	0.7
69.06644	3.6
69.07070	2.5
73.22331	0.8
73.41864	0.9
92.22459	0.8
109.00883	0.8
112.34211	0.8
124.99478	0.8
125.44817	0.8
139.82315	0.8
160.42966	0.9
165.08516	0.9
179.69766	0.8
291.77524	1.0
368.21521	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	368.1715
Annotation	Rosmarinine N-oxide
Peak:m/z	Relative Intensity
51.66429	1.6
58.02979	20.4
58.49131	1.8
59.01383	14.8
60.01688	2.1
61.98829	17.1
64.14239	1.8
71.01397	9.3
71.04640	3.2
71.05019	42.5
71.44655	2.1
80.14095	1.9
85.02986	4.5
86.03278	2.0
90.08623	2.1
92.97151	1.6
95.01401	1.8
95.05032	2.4
98.06129	2.2
100.07723	1.9
102.40475	1.7
109.06578	2.4
112.07694	8.1
112.98777	2.2
113.02459	6.0
126.05629	18.3
126.09282	2.2
128.03554	2.5
128.07204	3.8
133.02925	3.9
135.04526	4.3
135.08205	3.5
140.07195	16.2
142.08731	19.7
144.10321	20.0
146.08238	76.7
152.08430	3.4
153.09171	3.1
154.09587	2.0
161.02449	5.5
165.09215	2.2
170.08237	38.4
171.08640	3.7
171.10266	6.1
179.03540	3.0
195.10356	3.2
206.12726	2.7
239.09344	3.9
293.02637	2.2
306.17090	11.9
324.18167	6.5
333.14938	2.5
350.16019	25.3
368.17188	100.0
369.06332	3.2
369.18317	7.5
377.03958	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	368.9946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73730	2.3
59.01378	5.7
61.70545	2.0
71.01373	9.2
78.95921	2.4
80.74973	1.9
82.99890	3.8
85.02953	74.5
87.00861	3.7
89.85393	2.6
99.00874	3.6
101.02448	2.4
111.00886	23.0
112.20338	2.5
115.31895	2.5
119.05019	8.6
127.12446	2.4
129.01942	70.8
130.02269	2.8
132.98227	5.2
134.04771	3.1
141.00478	2.3
143.02003	59.4
144.02266	3.3
145.01439	2.4
149.00928	8.4
149.75694	2.1
150.98871	12.2
151.00148	10.1
156.89258	2.1
163.03996	10.4
165.04048	5.6
166.97560	2.2
167.05664	9.0
168.98492	4.4
168.99931	84.9
170.00053	8.0
173.00916	11.7
184.97667	10.8
191.01955	5.5
193.03619	4.4
194.97617	3.4
194.99135	8.9
201.00813	2.7
211.04637	23.3
212.98918	100.0
213.99054	13.1
219.01497	19.8
220.13972	2.2
226.98763	18.8
228.96574	2.9
232.95184	2.5
237.02516	18.0
250.09274	2.3
253.16756	2.3
263.00436	22.4
264.00674	3.0
270.97672	7.2
281.01501	14.8
282.95392	4.7
292.95639	3.5
295.04446	3.1
306.99521	12.4
307.99591	2.7
308.93301	28.0
324.88309	3.4
325.00430	13.4
326.00769	2.9
330.91080	4.0
350.98355	8.0
368.99506	6.5
386.11771	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	369.0072
Annotation	Unknow
Peak:m/z	Relative Intensity
64.09912	0.7
69.42620	2.9
69.87646	0.7
78.33415	0.8
83.07233	0.7
85.02950	99.7
86.03294	2.2
93.25264	0.9
96.96346	0.7
100.07204	0.7
111.00884	7.4
129.01945	100.0
130.02284	2.7
133.01428	1.0
143.02014	5.8
151.00105	6.8
168.99930	6.5
173.00928	15.9
176.98047	1.1
194.99109	2.9
211.04688	1.5
212.98929	8.9
213.99121	1.4
219.01625	0.7
237.02574	1.1
263.00394	1.4
281.02609	2.4
301.79883	0.9
306.99377	0.9
324.88474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
62.74486	1.2
67.01893	1.3
69.03457	100.0
70.03785	1.8
72.99294	1.8
79.01888	4.2
86.74203	0.9
95.01401	1.1
97.02950	17.2
99.00882	23.8
103.95733	0.9
123.00838	1.5
141.01944	9.0
147.68243	1.1
160.38019	1.0
183.10265	1.3
185.00912	52.0
186.01184	1.9
203.07043	1.5
280.67416	1.1
369.11823	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	369.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52616	1.5
53.55695	1.4
55.64856	1.4
59.01377	2.4
61.98827	3.3
69.03445	3.5
70.66564	2.9
84.84330	1.4
85.60453	1.6
97.79008	1.3
113.90650	1.5
115.12967	1.8
126.39913	1.6
132.02177	5.7
143.35851	1.6
146.03760	2.2
160.01668	12.7
164.04750	2.7
179.07106	7.2
185.00859	1.6
206.07191	1.6
222.06841	8.8
224.08389	2.8
225.05649	1.7
237.05594	2.5
238.06342	2.2
239.07097	1.5
240.07925	24.3
243.06598	3.2
250.06367	3.6
251.07031	4.3
252.07921	2.0
255.10269	4.8
256.10385	1.7
262.06442	1.9
263.07138	3.3
267.06589	3.3
268.07391	20.4
269.07742	1.9
278.05829	2.6
279.06537	6.4
280.07422	21.0
281.07996	3.5
283.09708	14.1
291.06985	1.4
292.07355	1.8
293.08194	3.5
295.06036	2.8
296.06860	14.9
307.06067	4.3
308.06927	21.1
309.07684	14.1
310.08148	2.7
311.09311	9.5
321.07626	5.9
322.08395	7.9
323.09195	37.3
324.06311	18.1
324.10010	13.5
325.06726	3.0
337.10736	10.1
338.11539	21.0
339.08713	100.0
339.12335	12.6
340.09039	14.0
340.12787	3.0
353.10284	4.1
354.11084	68.4
355.11395	8.1
369.13425	80.6
370.13602	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	369.1684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00185	2.3
55.75708	2.4
59.01375	21.4
69.58222	8.4
71.01378	13.8
75.06808	2.1
78.91889	6.0
82.02474	2.4
85.02938	3.0
89.02456	10.8
101.02450	6.1
102.05679	2.3
106.88433	2.2
113.02475	7.1
119.03514	6.0
119.15841	2.5
124.61163	2.5
125.26564	2.3
132.02216	3.5
147.01990	2.4
157.06671	2.4
160.01636	13.5
179.07169	6.9
189.90192	2.4
195.86127	2.7
222.06879	7.5
239.06996	2.9
240.07922	17.8
243.06696	3.0
251.07141	5.1
252.08049	2.9
255.10248	4.5
261.96198	2.4
267.06534	4.2
268.07477	22.7
269.07745	3.7
279.06635	7.6
280.07397	21.0
281.08014	3.6
281.58807	2.4
283.09756	14.2
293.08398	3.4
296.06842	13.7
306.04214	3.1
307.06161	4.2
308.06854	16.0
309.07626	12.8
311.09213	5.8
321.07755	4.5
322.08505	9.4
323.09265	32.1
324.06708	15.6
324.09891	15.1
337.10922	8.2
338.11609	14.9
339.08713	100.0
339.12225	6.6
340.09000	8.3
354.11063	61.4
355.11426	8.2
369.01639	2.8
369.13373	70.0
370.13745	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	369.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98823	4.9
63.40696	0.8
64.12360	0.9
70.80641	1.4
71.01385	5.2
73.02956	1.8
82.78376	0.8
83.01397	0.8
85.02975	2.1
87.00884	1.0
89.02413	1.8
92.44497	0.7
94.59582	0.9
101.02450	3.5
113.02455	2.0
115.00378	0.9
138.05696	0.9
142.70128	0.8
150.99612	0.9
156.04857	0.8
161.04558	2.7
171.45541	0.8
175.02524	1.0
186.35187	0.8
274.06952	0.9
309.15659	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	369.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20094	1.3
59.01365	2.6
61.98837	1.7
65.47285	1.3
66.98978	1.2
69.40239	5.6
71.01373	6.4
73.20582	1.3
75.00867	5.4
83.08586	1.2
91.04018	3.3
104.94699	1.3
116.92801	1.3
125.09718	3.1
145.58553	1.4
153.09125	1.4
155.14342	1.6
165.01695	4.3
165.09137	1.6
171.10233	12.0
195.13872	3.3
200.10451	2.9
200.98190	2.1
220.22876	1.5
221.08003	2.1
222.08727	100.0
223.09113	4.8
249.22275	1.6
254.07730	3.4
258.05194	8.7
277.18060	15.6
277.21698	11.4
278.22104	2.2
290.93005	1.5
293.21329	7.8
295.19193	7.3
295.22729	39.2
296.23090	3.6
311.22260	37.5
311.24948	1.0
312.22632	4.6
333.20474	94.8
334.20752	7.6
369.13541	2.9
369.18011	33.9
369.22742	11.8
370.18411	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	369.1822
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
56.76793	6.2
56.86490	6.8
59.01386	15.6
61.98836	14.3
68.36198	7.3
78.73821	7.1
101.21060	6.7
134.53575	6.2
171.10287	11.2
286.94543	8.5
291.19781	11.8
293.21118	15.0
309.20801	12.9
311.22287	36.8
331.18655	12.4
333.20633	25.2
337.14731	21.2
369.18198	100.0
370.18326	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1834
Annotation	beta-Yohimbine N-oxide
Peak:m/z	Relative Intensity
59.01377	27.8
61.98822	59.7
71.44162	16.7
71.44690	16.4
78.02557	17.5
81.58521	19.3
149.60609	20.4
151.48105	19.7
160.84262	25.5
165.93109	18.3
311.22076	29.1
333.20792	100.0
369.18033	47.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
58.53214	40.3
71.41912	58.9
80.26460	56.8
104.86103	50.8
177.72057	48.3
295.22693	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	369.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74627	26.6
59.01376	27.9
61.98827	100.0
66.34499	24.2
66.49380	25.1
67.33611	23.4
81.21715	28.4
98.22800	51.2
99.37347	22.5
108.20959	26.2
115.93423	25.2
149.18358	27.0
160.84251	44.3
170.88377	26.5
207.95284	28.2
331.18784	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.9
61.98827	20.8
64.27222	12.6
69.17206	100.0
74.73735	15.8
95.79235	16.3
98.21875	29.8
160.84245	22.2
207.74728	13.5
222.08730	20.8
333.20471	28.2
369.18329	17.8
369.88342	20.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2436
Annotation	19-Furan-2-yl-nonadeca-5,7-diynoic acid methyl ester
Peak:m/z	Relative Intensity
53.01835	1.4
61.98833	1.7
66.22707	1.9
133.10252	3.3
147.08209	2.1
163.11293	100.0
164.11626	5.9
179.10802	18.8
183.84093	2.1
193.12331	26.9
210.82530	1.6
301.21701	4.6
311.16953	3.3
337.21744	11.7
369.24356	80.0
370.10019	2.3
370.24472	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	369.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90165	0.6
59.01387	4.9
61.98813	2.6
65.45813	0.6
71.23596	0.6
71.43951	0.8
80.13345	0.6
88.51733	0.7
89.02450	2.1
91.04005	10.7
105.50943	0.6
113.09705	2.5
119.47094	0.6
179.14421	0.9
195.13901	14.7
195.15720	0.8
196.14241	0.8
217.35573	0.6
277.21741	14.9
278.22171	1.7
295.22775	100.0
296.23129	9.5
331.18747	0.7
346.80331	0.9
369.18335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3009
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
52.18631	1.4
54.43041	1.6
69.64732	5.7
74.68918	1.4
87.00867	1.7
98.21928	3.3
102.20692	1.6
105.01934	4.2
109.50518	1.4
121.70844	1.3
152.78522	1.5
157.88712	1.4
193.12357	3.5
229.38762	1.3
281.25113	3.2
305.28723	1.6
307.30078	65.6
308.30386	7.7
311.16656	1.9
329.59821	1.5
351.28983	18.0
352.29419	2.7
369.30090	100.0
370.30453	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	370.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
68.90948	0.8
69.06207	6.3
115.12886	0.9
130.55661	0.8
137.88870	1.0
139.11270	1.3
146.17651	0.9
171.10243	1.7
224.92752	0.8
232.35918	0.9
249.12512	0.8
281.16895	0.9
311.22241	3.1
312.22629	3.1
343.25717	1.1
370.18457	11.1
371.17950	9.1
383.07089	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62601	4.1
59.01382	8.8
61.98837	100.0
62.83488	4.5
71.20072	5.9
78.45426	4.4
87.19621	5.5
117.31824	4.5
121.03038	6.7
130.56393	4.6
160.84236	7.4
184.23212	5.0
252.30959	4.1
314.56516	5.5
334.20956	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	370.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98832	100.0
70.89860	2.2
86.03169	1.1
97.38073	1.1
133.58931	1.3
217.19672	1.3
217.25003	1.1
237.76442	1.3
243.20320	1.1
248.43666	1.1
250.07919	1.2
261.73553	1.4
304.38998	1.2
335.22137	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	370.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70791	8.6
61.98819	21.8
69.76890	38.1
72.62402	9.4
89.03946	27.7
115.05515	17.6
125.23259	10.0
145.72354	10.1
152.37096	9.4
157.05377	18.2
158.06119	18.5
160.84341	13.0
164.66132	10.0
269.91876	11.8
327.20731	100.0
333.20615	26.4
334.20880	36.5
335.21570	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	370.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47561	16.7
59.68439	17.4
62.09539	20.7
65.43996	19.2
69.20719	100.0
71.34885	17.6
106.93967	18.1
122.94904	17.8
160.84178	18.7
237.30078	20.3
370.20056	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	371.0442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66795	3.0
58.99594	15.0
59.01376	42.3
61.98836	7.3
70.40915	8.0
71.01368	9.8
72.38689	3.3
76.58272	3.2
78.18997	3.4
85.02962	3.7
88.04079	3.7
89.02437	10.9
98.21861	3.5
102.98595	100.0
119.03535	7.9
119.05032	73.7
121.02975	7.0
130.08716	19.3
151.00378	3.7
160.84167	4.5
162.83910	14.0
163.04027	13.0
166.02686	12.0
181.05020	12.1
187.46657	3.3
193.05023	13.1
208.07443	17.9
223.09767	26.3
371.13434	42.3
371.26740	22.4
371.88449	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	371.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33559	1.2
54.29321	1.0
57.03441	3.5
58.99657	1.2
59.01368	2.5
69.37719	6.1
80.91687	22.2
81.03472	4.4
82.03649	1.0
82.95426	4.0
83.01396	9.4
84.76704	1.0
88.04051	1.3
93.03465	3.4
95.01364	1.3
95.05026	4.6
97.02938	8.2
108.02215	1.4
109.02962	33.6
110.03253	1.4
121.02980	4.8
122.03743	3.0
123.03726	1.7
123.04534	18.6
125.02444	25.9
134.69739	1.1
135.04497	2.8
137.02460	49.6
139.04044	6.2
145.02942	2.0
146.03690	2.5
146.08264	4.4
149.00943	3.1
149.02454	7.1
150.03239	3.5
151.04004	14.1
159.04486	4.1
160.05316	1.6
161.02448	2.7
161.06058	5.6
162.01822	1.6
162.03159	1.7
163.04088	1.4
164.01164	4.7
165.01913	6.5
167.03517	2.9
172.89021	1.3
174.07031	1.4
175.03967	2.7
175.07645	2.2
179.03487	8.9
185.02315	1.3
185.40344	1.3
187.03961	6.3
188.04735	5.5
189.04051	2.2
191.01996	6.9
202.06369	3.1
203.01978	1.2
203.07144	15.3
205.05061	9.1
212.04854	1.7
217.08478	1.5
221.03101	1.3
221.08205	2.8
227.03316	2.6
227.07195	3.2
233.03088	5.0
243.06410	3.6
245.08159	21.1
246.08447	1.9
285.06210	4.0
289.07184	100.0
290.07495	7.3
310.13147	1.4
311.05399	49.4
312.05777	4.8
322.37115	1.3
327.07159	2.1
329.05237	2.9
352.45715	1.2
370.18893	1.5
371.06244	15.0
372.06335	2.0
378.99265	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0772
Annotation	7-Hydroxy-3,5,8-trimethoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.01366	1.4
61.98830	1.1
64.71050	0.5
75.70248	0.4
77.03963	0.5
84.02192	0.7
86.39177	0.5
109.97819	0.4
115.55151	0.5
121.02956	100.0
122.03294	3.6
128.11015	0.5
138.03429	0.5
149.02434	1.1
156.69505	0.5
162.23843	0.5
162.83936	0.5
167.41606	0.5
171.10213	0.5
179.03474	11.9
191.84534	0.5
226.91565	0.6
238.06194	0.5
289.21680	0.8
311.22382	0.6
333.20700	3.2
335.22025	1.4
371.07678	17.1
372.08139	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07748	0.3
51.47116	0.3
58.99603	15.8
59.01382	5.5
61.98832	2.8
63.89369	0.3
68.07889	0.4
71.01381	0.6
74.99100	2.3
77.58248	0.3
81.00128	0.4
90.43509	0.4
102.98598	100.0
103.98995	1.5
120.99669	3.2
151.03951	0.5
163.00717	3.5
163.04066	0.6
165.01941	2.0
177.01872	1.9
179.03519	2.0
180.04202	1.6
192.04318	2.8
194.05836	1.8
195.06610	2.0
207.06613	2.6
209.08170	2.2
240.31889	0.4
298.04858	0.4
301.35208	0.4
309.03873	0.4
371.07657	0.9
371.16748	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.6
56.85592	1.3
59.01378	77.6
59.93263	1.3
61.98815	3.7
67.55321	1.4
69.03453	100.0
69.33692	7.6
71.01383	16.2
72.99328	2.1
73.02942	26.8
82.38778	1.5
83.01384	6.6
85.02934	2.7
89.02448	6.4
95.01367	1.7
97.02950	18.4
99.00883	23.1
101.02438	20.0
102.98588	3.9
108.30250	1.5
110.86095	1.7
113.02456	9.2
116.25928	1.5
131.03535	2.4
141.01945	8.1
149.09724	10.6
161.04535	2.1
162.83914	2.1
166.05096	4.8
177.01944	2.7
179.09996	1.7
179.11530	1.7
185.00909	57.8
185.11809	3.6
186.01245	1.6
192.04123	1.6
241.05351	6.0
288.51068	1.4
329.07275	1.7
371.13391	17.3
372.13663	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	19.7
61.98828	7.1
69.23751	20.8
73.02941	7.2
76.86791	4.1
84.32458	3.5
167.10762	100.0
191.10747	8.2
216.56664	3.7
235.57887	3.6
253.18040	16.5
273.18558	7.6
299.08939	4.4
317.17557	16.7
330.39749	4.6
335.18652	68.7
336.18710	4.2
358.82233	3.9
371.20581	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	371.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.3
61.98827	1.8
69.48908	7.8
71.01368	3.0
73.02942	9.8
76.20580	1.5
83.01399	1.8
85.02961	1.5
92.71384	2.0
101.02467	3.6
113.02453	3.4
162.65375	1.6
162.83868	1.9
164.26707	1.5
164.58107	1.5
167.10767	100.0
168.11136	4.5
181.12305	2.1
193.64075	1.7
209.11815	3.1
333.17157	2.4
371.18015	1.8
371.24533	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	371.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42813	36.4
59.01369	100.0
61.52695	38.9
61.98829	94.6
65.92817	39.0
66.95078	43.6
70.63704	74.0
80.60559	38.9
230.90703	42.1
267.79007	45.7
391.01273	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23917	18.0
57.03446	16.3
59.01384	33.2
61.98838	100.0
70.33328	26.0
70.33657	26.0
75.38714	19.4
117.52145	15.5
121.85484	16.1
126.52602	14.9
131.08292	72.8
162.83937	17.7
170.37427	15.0
186.55411	16.4
207.17020	16.7
335.18649	70.6
371.29141	38.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27322	22.5
57.55715	19.7
59.01377	100.0
66.82821	23.3
70.31291	34.8
71.05025	25.1
72.96996	24.1
76.19521	22.0
81.03461	31.8
94.24746	21.2
100.87993	25.5
106.80685	24.4
119.78051	21.5
121.03012	24.8
125.09727	88.8
134.09026	22.0
148.00798	21.8
151.07736	37.5
162.83873	45.9
167.07124	67.1
171.10252	36.9
183.71651	22.1
215.12857	81.4
241.96071	22.4
249.11551	28.6
285.14801	29.6
303.16003	91.6
321.17111	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2072
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
50.81705	0.4
51.07835	0.4
51.49783	0.4
55.01879	7.0
57.03448	9.2
58.00594	1.3
59.01379	68.4
65.55377	0.4
69.03455	1.3
69.70647	0.6
69.71022	0.7
71.01382	100.0
72.01722	1.1
72.99308	1.7
73.02947	36.1
74.03272	0.5
75.00877	1.5
75.82950	0.4
81.03478	0.8
83.01382	16.6
84.01714	0.4
84.02196	0.9
85.02950	46.9
86.00107	1.4
86.03284	1.0
87.00883	4.4
89.02445	22.7
95.01381	7.1
97.02943	2.5
99.00879	14.4
99.01532	0.8
101.02441	83.8
102.02818	1.5
109.54317	0.4
111.00855	2.1
113.02450	43.1
114.02800	0.9
119.03505	9.9
121.06521	0.5
121.75069	0.4
123.08175	0.6
123.80912	0.4
125.02451	1.8
129.01932	2.2
131.03534	0.9
137.09764	1.7
143.03505	6.8
149.04622	0.7
159.02985	11.6
159.04233	0.8
161.04556	59.2
162.04903	1.5
179.05562	1.2
205.03517	1.1
205.51001	0.4
209.15451	9.4
210.15810	0.8
213.22661	0.4
279.15955	0.4
341.09479	0.5
371.20712	60.8
372.21048	7.1
392.05905	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2186
Annotation	TMC-96
Peak:m/z	Relative Intensity
52.94063	0.9
53.34312	0.8
59.01379	7.8
62.72678	0.8
69.22803	1.8
69.23222	3.9
73.02979	1.3
76.70280	0.8
81.03457	12.4
83.05026	52.5
84.05354	1.3
87.60965	0.8
89.02428	1.2
100.07690	14.8
102.98588	4.0
121.02906	1.0
122.39395	0.8
127.03967	1.0
130.08734	2.0
132.35635	0.9
155.48543	0.9
173.11833	3.3
188.33051	0.9
198.11324	0.9
199.18172	9.5
225.16122	10.9
243.17145	30.7
244.17447	1.6
269.15051	2.0
309.21875	1.4
327.22659	1.1
353.20807	8.2
357.71091	1.0
371.21872	100.0
372.22104	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18047	0.7
66.75131	0.8
67.10008	0.7
71.21124	1.1
81.06036	0.8
88.50601	0.8
97.93140	1.9
99.92587	86.0
100.92598	3.9
100.93350	4.4
115.92072	10.4
116.92107	1.3
116.92860	10.5
118.89984	77.4
119.89968	2.8
119.90764	6.6
134.89478	7.1
135.90256	28.9
136.90253	1.6
141.93649	2.0
150.88959	1.2
163.11371	1.0
199.75305	0.9
225.23190	0.8
336.13989	22.3
337.14175	3.1
337.20593	0.8
372.11630	100.0
373.11890	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	372.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.8
57.61724	1.1
59.01379	34.4
61.98823	2.6
62.14246	1.0
68.12103	1.2
71.01380	11.9
72.04529	1.4
73.02947	2.2
75.37952	1.1
84.04533	3.7
85.02943	3.6
87.00886	1.6
89.02451	12.3
101.02430	2.5
101.52405	1.0
102.05617	21.2
110.06121	1.8
110.65067	1.1
113.02451	3.5
114.09220	2.1
119.03458	2.5
128.03543	44.0
130.08731	3.9
131.08559	1.3
136.07681	1.3
138.09264	19.2
139.11319	7.6
143.03510	5.0
146.04594	3.1
150.09219	1.9
155.08783	1.0
164.10834	2.3
164.12132	1.0
165.09134	1.7
166.09622	1.3
177.07916	1.5
180.10320	1.6
181.12346	5.9
183.10272	10.5
184.42732	0.9
192.10309	5.7
197.11855	4.6
199.13440	1.3
210.11429	2.6
219.70068	1.1
225.11349	5.3
233.06619	4.2
241.10716	2.1
243.12360	24.8
266.17593	2.3
268.15582	9.7
310.16422	1.8
311.10327	2.0
312.14578	3.9
354.15555	5.6
354.19699	2.0
372.16623	100.0
373.17093	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	372.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72475	2.1
59.01374	19.8
61.98829	100.0
68.00005	2.4
69.50466	5.0
69.50858	3.1
71.01374	2.4
162.83940	16.2
167.10832	4.0
263.73639	2.2
274.52905	2.4
290.83295	2.3
371.95667	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	372.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79573	4.7
61.98828	100.0
67.48735	6.7
94.64302	4.9
115.39162	4.6
117.23209	5.1
128.98438	5.7
150.01079	6.0
162.83894	17.7
187.28387	5.1
223.52266	5.8
239.95197	5.3
248.08414	5.1
310.86682	5.9
319.43164	6.2
371.88446	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	372.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04146	1.4
53.29771	1.5
56.62793	1.4
61.98830	100.0
65.61649	1.5
88.28928	1.5
100.17361	1.6
106.12433	1.3
111.81564	1.4
132.73071	1.4
154.07224	1.5
229.34093	1.6
234.86456	1.4
246.39980	1.4
292.93878	1.4
397.75412	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45123	1.0
61.98829	100.0
64.13908	0.9
90.19115	1.0
100.42073	1.1
183.39082	1.1
288.95355	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.6
61.98830	100.0
71.44113	3.0
84.25623	3.5
86.33962	2.9
134.40762	3.3
169.05945	3.1
173.97675	3.1
289.17984	5.3
290.18466	17.8
372.18851	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04710	4.1
50.29285	3.9
61.98543	7.6
61.98831	100.0
69.52287	14.7
73.34916	5.0
83.02501	4.5
97.02966	5.0
115.30471	4.2
123.04736	4.3
140.02200	4.6
162.83891	5.0
192.95898	5.4
217.08623	7.8
329.24902	5.4
365.54721	4.7
372.17755	4.8
373.19949	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	372.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18585	1.4
60.47924	1.6
61.98831	100.0
63.26687	1.3
64.57585	1.3
69.77048	2.7
70.66002	1.3
73.69762	1.3
74.97022	1.3
151.37048	1.4
217.27867	1.6
248.52780	1.7
270.74628	1.7
271.20630	3.1
315.19623	4.0
322.85660	1.5
373.15588	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	372.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94984	4.1
55.22909	4.9
59.01367	5.1
61.98832	100.0
74.12976	4.0
85.50307	3.9
159.95044	4.1
162.71555	4.2
162.83810	5.0
177.28421	4.6
192.95879	5.7
283.74234	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	372.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76181	14.4
59.01381	25.4
61.98817	47.5
69.81165	35.4
69.81566	27.4
71.36889	12.9
82.95387	22.2
91.05497	16.7
96.95961	15.1
99.54327	14.9
102.11648	13.4
104.87951	15.1
107.84108	15.8
117.07134	22.2
124.00677	26.7
131.25742	14.5
132.81224	13.8
145.68596	14.9
153.06589	15.9
160.07709	41.5
192.95923	22.3
242.49637	14.1
273.88126	16.0
329.22424	100.0
372.21817	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	372.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
66.46913	60.4
70.16143	59.5
71.11159	100.0
105.40145	65.2
193.79613	76.5
238.19647	64.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18616	1.3
50.27498	1.2
59.01376	13.1
59.34742	1.5
60.30136	1.5
61.98822	4.6
69.59402	5.4
71.01368	8.5
72.99284	1.5
73.02951	1.7
78.12183	1.4
81.59511	1.2
83.01382	5.5
85.02922	1.9
87.00877	5.2
89.02431	4.3
99.00880	13.4
101.02435	1.7
101.28194	1.3
102.98589	2.0
109.02952	10.9
111.00947	1.9
113.02494	1.4
115.00367	18.3
121.02986	1.7
121.06581	3.5
127.00362	1.9
128.98988	1.4
133.02957	4.5
135.04510	5.7
139.00386	3.1
145.02928	2.8
147.04532	7.8
148.05368	2.9
148.07686	1.5
149.06082	83.0
150.06430	4.4
157.01442	2.0
159.02986	2.1
161.02444	25.5
161.04491	1.9
161.06017	1.9
162.03159	1.5
163.04021	4.3
165.01909	1.4
165.05528	5.2
174.03136	2.0
175.02461	12.8
175.03990	14.9
177.01950	24.3
177.05487	2.1
178.02423	2.4
179.03432	1.8
188.04706	2.1
189.05544	4.0
190.15623	1.5
191.03552	3.4
193.05061	17.2
205.05046	2.0
206.02164	4.2
219.02974	30.4
220.03247	3.0
227.02017	2.1
231.06454	1.8
233.04559	22.3
234.04852	1.7
237.04028	43.1
238.04355	3.8
249.07751	3.7
275.05621	4.6
277.03522	33.9
278.03857	2.5
282.56696	1.3
293.06711	11.0
319.04538	8.1
337.05640	100.0
338.05960	9.8
343.83893	1.4
367.07870	1.5
373.03305	21.5
373.10370	2.0
374.03519	1.9
393.88321	1.4
395.48401	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1139
Annotation	Methyl syringate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
57.36179	0.6
59.01381	22.7
61.98809	1.0
62.98342	0.7
67.71100	0.7
70.87041	0.8
71.01381	6.3
73.02927	1.9
75.00881	1.2
83.01418	0.9
85.02952	2.2
86.18414	0.6
87.00879	3.0
89.02444	4.2
93.03488	0.9
95.01373	1.0
99.00844	0.8
101.02461	4.0
102.98566	1.1
108.02158	0.8
113.02447	2.7
119.03494	1.2
123.00875	2.0
124.01670	1.1
125.02477	0.9
127.07178	0.6
129.01964	0.8
136.01645	0.8
137.02428	3.6
138.03235	5.8
139.00333	1.2
139.04045	4.7
139.11945	0.7
140.39424	0.7
151.04016	2.8
151.07643	2.3
152.01117	0.9
152.04790	2.9
153.01926	2.5
153.05579	6.1
158.00421	0.7
161.04599	1.4
163.00374	1.1
165.01949	5.6
167.07111	0.9
178.02733	1.3
179.03529	3.0
179.07256	0.6
180.00655	24.4
180.04228	6.8
181.01396	8.1
182.02150	2.6
182.30928	0.8
184.55759	0.7
194.02176	1.0
195.02985	49.6
196.03720	11.3
197.04541	5.9
211.06122	19.0
215.97891	0.8
225.04057	3.4
228.59018	0.6
239.05592	0.9
343.06708	1.4
358.09045	7.6
373.11386	100.0
374.11670	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	373.1504
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
59.01378	100.0
60.01711	0.7
69.21957	0.5
70.38152	0.5
71.00329	0.6
71.01382	7.9
73.02943	1.7
73.04060	0.9
74.02486	1.5
83.01389	1.2
85.02991	2.6
87.00893	1.3
89.02454	0.8
99.00896	1.0
101.02451	4.7
102.98608	1.7
104.03569	0.6
106.04247	1.5
109.02953	0.8
113.02448	3.2
129.10338	0.9
133.02986	1.0
135.04535	1.9
151.07648	30.9
152.08009	1.3
153.02052	0.5
159.03036	1.3
161.02438	2.2
161.04547	12.8
161.05830	0.8
163.11229	0.7
169.09766	0.8
170.02603	0.6
179.03548	1.3
195.03069	1.1
232.27838	0.6
313.13046	0.8
329.18127	0.8
333.81909	0.6
343.19858	1.3
373.11401	1.5
373.20920	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	373.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68544	13.5
51.38553	13.3
52.96562	13.4
59.01374	100.0
61.98834	23.5
64.54543	16.6
70.65800	23.6
70.88638	13.5
79.97585	14.7
82.41330	15.2
108.14773	13.6
126.57822	16.8
149.68919	15.6
154.19965	14.1
360.76218	16.2
367.22418	14.4
374.24451	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	373.1867
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
54.41196	0.3
56.09008	0.4
57.03455	0.4
59.01380	100.0
60.01720	1.2
61.98834	0.6
69.03455	0.6
69.69109	0.5
69.69473	0.7
71.01380	8.5
73.02948	9.4
83.01390	1.9
85.02961	1.5
89.02449	4.7
101.02448	7.2
101.36712	0.3
104.54591	0.3
113.02457	4.7
119.03533	1.5
131.03531	0.8
135.04617	0.4
137.48521	0.3
143.03531	0.6
149.04539	0.4
152.07263	0.4
161.04614	1.0
179.05664	0.7
229.81264	0.4
241.62352	0.3
331.17520	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01884	1.3
57.03444	1.1
58.00610	0.9
59.01381	100.0
60.01734	0.7
70.11075	1.3
71.01383	40.7
72.99300	1.0
73.02946	1.1
83.01395	2.0
85.02959	8.5
87.00905	0.9
89.02448	48.3
90.02789	1.6
91.02173	0.6
95.01363	3.0
95.76163	0.5
99.00917	0.9
101.02449	28.9
109.16908	0.6
113.02448	16.8
119.03509	27.3
120.03864	1.0
131.03510	1.8
143.03528	2.8
149.04594	1.6
155.24510	0.6
161.04550	2.4
179.05605	2.5
181.43575	0.6
193.12325	5.6
211.13367	0.7
213.04683	0.6
265.66382	0.6
335.71609	0.6
373.18652	37.7
374.18878	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	1.4
69.90500	4.1
70.51915	1.2
71.01373	6.2
73.02950	1.8
78.80189	1.3
84.11573	1.4
85.02966	1.6
89.02439	3.7
101.02461	4.3
103.85371	1.2
103.88880	1.2
113.02437	3.2
119.03518	2.4
146.69727	1.3
166.63184	1.8
201.11304	1.5
217.10677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
50.61082	1.0
52.44673	1.2
59.01380	100.0
60.01692	1.6
61.98809	1.1
71.01379	4.8
71.44907	1.2
75.47130	1.0
85.02953	1.1
86.28647	1.0
89.02482	6.2
94.54598	0.9
101.02408	3.0
109.06577	1.2
110.03693	1.5
113.02441	1.4
119.03467	3.1
157.29439	1.0
161.04536	1.2
171.10233	2.6
201.11362	1.6
217.10565	1.1
262.00546	1.2
283.19238	3.9
373.11194	1.5
373.22223	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	373.1866
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01881	0.8
57.03428	0.5
59.01379	100.0
60.01701	0.5
67.51568	0.4
71.01385	8.0
71.09588	0.7
73.02943	5.9
83.01405	1.3
85.02943	3.1
87.04524	1.2
89.02444	4.6
95.01399	0.7
101.02447	7.2
113.02450	3.2
119.03491	2.5
143.03578	0.8
151.11276	0.5
161.04582	1.4
169.12387	0.8
179.05637	0.6
331.17584	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
57.03448	1.0
58.00621	0.5
59.01379	100.0
60.01714	1.4
61.98827	0.8
70.18684	0.8
71.01382	14.8
73.02949	8.1
75.00870	0.4
83.01396	3.0
85.02956	5.9
87.00890	0.8
87.04504	1.7
89.02448	7.9
95.01408	1.0
97.02926	0.4
99.00900	1.2
101.02445	12.3
106.68339	0.3
113.02454	7.7
119.03504	4.0
125.02447	0.7
131.03542	0.7
135.04631	0.3
143.03542	1.2
151.11276	0.6
159.03021	0.4
161.04547	4.6
169.12372	0.8
179.05583	1.7
195.70775	0.3
255.69235	0.3
313.16547	0.3
331.17545	3.9
373.18622	0.9
373.26343	0.5
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
50.28262	0.3
52.70712	0.3
55.01874	0.8
55.37001	0.3
57.03440	0.7
59.01381	100.0
60.01720	1.2
61.98843	0.4
67.37746	0.4
69.03438	0.3
69.96912	1.0
71.01382	12.9
73.02942	5.1
81.10052	0.3
82.95428	0.7
83.01379	1.8
83.26678	0.3
85.02948	4.9
87.00899	1.9
89.02454	4.7
95.01415	0.6
99.00905	1.5
101.02447	9.2
109.76500	0.3
113.02447	5.3
119.03516	2.0
125.02431	0.5
131.03497	1.7
143.03543	0.8
151.11308	0.7
159.03113	0.5
161.04572	6.2
161.05830	0.4
179.05678	0.9
203.05690	0.7
207.05588	0.4
209.68855	0.3
217.73466	0.3
221.06702	3.3
243.12509	0.4
331.17661	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	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01703	1.0
69.55128	2.5
71.01389	3.6
77.79006	0.8
85.02966	0.9
89.02449	5.2
101.02463	2.9
109.06603	1.0
113.02471	1.8
119.03527	1.9
120.38115	0.6
122.92219	0.7
125.09743	2.1
127.07634	8.6
127.08347	0.8
171.06630	5.2
171.10362	2.2
187.09871	1.9
201.11409	3.1
215.21863	0.7
232.00694	0.7
315.09549	0.9
373.18710	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06732	0.5
59.01380	100.0
60.01714	1.1
61.89676	0.5
70.24952	1.0
70.25290	0.5
71.01383	11.6
73.02946	7.4
83.01398	1.7
85.02946	3.5
87.00865	0.6
89.02447	8.9
91.74666	0.5
95.02956	0.6
98.17155	0.4
101.02439	8.7
107.03782	0.6
108.38355	0.5
113.02457	5.0
119.03458	2.9
122.06133	1.1
131.03534	0.9
132.04575	1.7
143.03554	1.0
149.04602	0.7
152.07182	3.0
161.04622	2.2
297.12668	0.6
331.17700	2.1
341.11496	2.8
373.13428	0.7
373.22217	0.6
374.08655	1.1
383.56491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	23.8
63.19123	6.1
64.96636	5.0
76.55854	5.1
121.10229	17.9
125.09744	7.8
134.43536	5.5
148.60899	5.6
185.11768	13.0
227.32288	5.4
245.19125	10.7
291.19672	70.4
298.15903	6.9
313.17856	100.0
314.18219	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	373.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61154	0.9
59.01377	14.5
61.98845	1.6
67.30489	1.0
69.76283	2.3
69.76646	2.1
71.01361	1.0
77.07327	1.1
93.03470	2.0
98.21870	1.4
120.70264	1.0
136.44434	1.2
165.11545	1.7
165.12846	20.9
165.14091	0.9
166.13173	1.5
244.10739	3.1
247.18690	1.2
247.20682	12.5
248.20972	1.6
270.76697	1.2
273.18594	6.1
291.19666	100.0
292.19974	8.1
313.17841	13.5
373.19998	15.6
374.19733	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2385
Annotation	Corymbi-7,13E-dienolide
Peak:m/z	Relative Intensity
54.03845	0.5
55.53423	0.5
59.01363	1.1
61.61644	0.5
61.98831	9.2
71.01383	39.8
84.02174	1.9
90.91720	0.5
97.02966	0.5
98.69241	0.6
122.20097	0.5
192.95816	0.6
199.98781	0.8
257.18018	0.5
301.21719	13.4
302.22153	1.0
311.23782	7.3
329.25003	1.1
331.19183	0.7
373.23834	100.0
374.24170	13.4
374.28879	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.9491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14027	0.8
57.99654	0.8
59.01377	70.3
60.56845	0.8
63.99764	0.7
69.79022	2.0
73.99465	0.9
79.60481	0.8
85.00462	1.1
98.75463	0.9
127.93211	1.0
127.98055	1.3
132.98203	1.1
143.95090	0.8
144.94670	1.4
154.95529	1.8
157.97658	2.4
171.97029	24.9
172.97284	1.2
174.99237	32.7
198.94545	2.5
199.98761	62.2
200.99097	1.4
215.95988	85.3
216.96289	3.7
217.00278	100.0
319.81006	1.0
374.99133	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	374.1221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49917	2.1
59.01384	25.9
61.98832	4.0
98.02472	5.3
100.04049	9.1
102.05610	2.7
108.02209	2.0
112.45613	2.1
127.33156	2.0
128.03575	6.1
129.01935	3.2
135.11794	3.1
138.01704	3.9
140.03311	3.1
145.45607	2.4
150.01711	15.0
159.08136	2.4
161.09755	8.1
166.04936	6.5
168.02774	64.4
174.99295	10.0
177.09210	3.3
193.57330	2.4
196.13928	2.1
199.98932	3.3
213.11438	2.4
215.96034	3.7
217.00281	24.5
245.07912	36.0
286.14337	4.3
312.12213	3.9
330.13156	20.5
356.11090	7.5
374.12216	100.0
375.12448	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	374.122
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39874	0.9
59.01380	15.4
60.01710	0.8
61.98833	7.9
63.33140	0.8
71.01392	0.9
79.50539	0.9
85.02954	1.5
90.43523	0.8
98.02491	4.9
100.04057	7.5
101.02426	1.8
102.05619	2.1
110.02496	0.9
122.78964	0.9
128.03548	3.4
129.01880	1.0
133.10242	1.8
135.11838	4.0
138.01738	2.8
140.03310	3.2
141.14325	0.9
142.04919	1.8
146.04630	1.2
148.03844	2.1
150.01707	9.3
152.03271	1.5
159.08235	2.6
161.09714	5.2
163.11253	1.7
166.04868	5.3
168.02786	43.0
169.03053	1.4
174.99208	2.4
177.09229	1.6
178.04753	1.1
199.07462	2.5
201.09096	1.2
215.96037	1.7
217.00281	8.3
217.08530	3.2
219.10187	1.9
227.06914	2.4
229.08542	1.5
243.16075	0.8
245.07948	30.7
246.08327	1.5
261.00702	0.9
263.08969	1.1
286.14166	1.8
312.12244	2.5
330.13223	8.2
356.11264	6.0
374.12177	100.0
374.99677	1.2
375.12482	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	374.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97033	0.7
59.01379	9.4
66.03480	3.5
69.61409	0.8
73.96300	0.9
74.51641	1.0
82.02986	9.5
88.04076	1.0
93.74657	0.9
94.02971	1.0
108.04549	0.9
110.02477	40.0
111.00860	2.0
111.02022	15.3
122.02465	3.1
122.95719	0.9
124.04029	1.1
130.08742	75.1
131.03720	0.9
131.04636	3.7
131.09093	2.3
140.03552	4.9
146.98404	0.9
152.03510	7.8
153.03052	5.0
166.97482	1.2
168.99898	1.2
173.38792	1.0
174.99202	2.3
200.05621	21.7
201.02644	1.6
201.12364	0.8
210.96365	1.1
217.00319	9.5
243.06204	100.0
244.06454	4.8
356.08914	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99926	4.6
59.01379	100.0
60.01709	9.0
61.10429	5.4
61.98819	4.9
69.61731	16.9
70.58652	4.9
71.01387	22.0
89.02444	19.2
101.02455	17.4
102.05659	5.1
113.02445	9.3
119.03503	20.0
151.11264	11.2
156.22018	5.0
169.12372	6.8
174.99258	15.4
195.10303	14.9
213.11203	7.7
217.00264	51.0
248.68652	5.2
374.18872	13.2
391.89728	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	374.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	91.5
60.55637	6.0
61.98821	15.6
66.16550	6.7
66.18172	6.6
69.29920	34.5
71.01353	15.1
84.50687	7.1
89.02462	7.2
96.56470	6.6
98.22623	13.6
98.87561	6.6
102.05650	13.3
104.98186	9.4
128.03511	10.0
152.03528	10.5
168.25150	5.3
174.99266	29.4
215.96124	8.6
217.00284	100.0
374.21436	18.5
389.23581	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	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.44635	5.3
61.98827	35.7
69.13302	12.5
69.13704	16.7
71.01387	12.1
86.96073	5.1
89.02444	11.4
89.51925	4.9
98.16224	5.1
98.21907	12.1
101.02451	7.1
106.08498	4.9
122.75820	5.7
162.88011	6.2
174.99217	28.2
217.00314	82.8
278.61227	5.3
374.99042	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	374.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	68.3
61.98843	7.5
69.49992	20.8
85.45343	5.7
164.83553	7.6
171.96983	6.7
174.99268	28.7
199.98773	7.4
201.85602	4.9
215.96034	10.0
217.00281	100.0
283.35297	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	374.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93294	4.4
51.72638	4.3
59.01373	75.9
61.98817	14.3
68.11781	4.2
69.48383	4.1
70.64233	6.0
88.63252	4.2
98.22535	6.4
112.54124	4.8
125.87321	10.1
164.83540	13.2
170.95985	5.9
174.99216	22.2
215.95938	6.1
217.00294	100.0
352.81717	6.5
365.93259	4.6
373.99786	10.1
374.21484	4.8
374.99142	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	374.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	51.8
59.55207	4.5
61.98815	15.7
62.01734	3.9
67.68337	4.6
69.78881	12.8
69.79231	4.1
70.59621	5.0
80.12717	4.1
83.47359	5.2
84.34077	3.7
86.07743	5.0
96.95978	4.9
98.22683	4.3
111.04433	5.8
174.99217	21.8
217.00282	74.8
220.00195	5.7
259.20605	4.9
273.63919	4.8
287.20172	37.7
314.27390	4.9
331.19119	100.0
332.19431	8.6
374.24316	5.6
374.99054	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	374.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49117	2.8
59.01371	9.4
61.98828	51.6
69.21755	2.8
69.94260	9.8
86.28500	2.7
88.04758	2.7
100.90710	3.0
110.03759	15.9
111.04471	3.3
217.00261	8.7
243.17484	6.3
259.20621	6.7
287.20270	15.5
293.21179	4.8
303.19559	6.2
307.18967	5.8
331.19147	100.0
332.19284	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	44.3
61.98832	18.2
65.48933	3.5
69.62949	8.0
91.86920	3.4
98.22620	5.8
99.74360	2.9
101.85300	3.1
109.59971	3.2
174.99236	14.0
199.98799	4.8
217.00291	51.1
232.10924	11.7
259.21014	3.2
287.20102	19.6
290.18848	4.4
300.95416	3.3
331.19135	100.0
332.19412	10.4
374.24463	98.8
374.99158	4.6
375.24780	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11242	2.0
52.19299	2.1
59.01384	22.2
61.98832	100.0
65.86321	1.9
69.80900	5.5
69.81291	4.7
70.14761	1.9
71.01381	22.2
72.01709	2.6
72.98897	2.1
73.09050	2.3
84.02171	2.5
98.22511	2.7
125.17390	2.3
174.99297	4.7
215.96275	3.6
217.00316	21.6
217.77301	2.3
293.17563	2.4
302.22131	8.1
307.19275	4.0
312.24237	4.9
331.19238	6.5
374.24194	83.7
375.24542	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	374.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	6.7
61.98831	100.0
69.29655	6.2
69.30067	4.1
83.05015	1.9
88.53523	1.7
105.22411	1.6
108.06241	1.6
110.03742	8.4
111.04525	5.3
126.69648	1.7
174.99217	2.2
182.31244	1.7
192.03716	1.9
217.00223	8.6
243.17635	3.9
259.20599	4.9
287.20264	9.4
291.19717	2.8
303.19611	3.3
331.19168	59.2
332.19434	8.2
374.07541	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	374.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.5
61.98830	100.0
71.41814	1.7
217.00366	8.7
252.63008	1.7
256.98395	1.7
275.20248	4.1
315.19363	1.8
371.59540	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	374.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.6
61.02785	1.5
61.89040	1.4
61.98830	100.0
69.66994	1.8
69.67343	5.3
70.54762	1.4
71.04983	1.6
78.91477	1.4
93.08611	1.4
96.67538	1.3
98.21939	3.2
111.48169	1.5
171.97021	2.0
174.99200	6.3
199.98763	1.9
215.96140	1.8
217.00278	19.4
223.75179	1.5
235.16986	8.5
247.65138	1.2
264.93307	1.4
275.20190	10.5
293.21213	13.0
315.19403	13.8
331.19086	3.5
375.21182	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	374.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31358	1.3
59.01379	18.3
61.98830	100.0
71.18739	1.3
74.69876	1.5
174.99219	6.5
199.98811	2.6
217.00317	16.5
267.25974	1.8
320.90027	1.3
327.46887	1.5
331.19028	4.3
374.24432	1.7
374.98663	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	374.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11242	2.0
52.19299	2.1
59.01384	22.2
61.98832	100.0
65.86321	1.9
69.80900	5.5
69.81291	4.7
70.14761	1.9
71.01381	22.2
72.01709	2.6
72.98897	2.1
73.09050	2.3
84.02171	2.5
98.22511	2.7
125.17390	2.3
174.99297	4.7
215.96275	3.6
217.00316	21.6
217.77301	2.3
293.17563	2.4
302.22131	8.1
307.19275	4.0
312.24237	4.9
331.19238	6.5
374.24194	83.7
375.24542	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	374.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32251	0.2
59.01384	2.6
61.98828	1.2
67.39342	0.2
69.40308	0.3
69.40594	1.2
83.54864	0.2
85.66065	0.2
98.22613	0.5
101.06074	1.2
124.07642	0.6
132.73523	0.2
165.10258	0.3
174.99268	0.8
206.13028	0.3
215.95920	0.5
217.00311	3.2
232.10910	10.0
233.11308	0.5
246.16066	0.3
272.17603	0.4
274.15753	0.3
287.23740	0.3
289.17926	1.6
290.18741	2.9
316.16605	1.7
318.18356	0.6
331.19012	0.7
358.21341	0.7
374.24487	100.0
375.24826	11.8
375.28708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1297
Annotation	Loganate
Peak:m/z	Relative Intensity
57.03436	2.7
59.01379	71.7
59.03067	0.9
61.98829	1.3
63.17187	0.9
69.03455	75.3
70.03757	1.4
70.95499	0.8
71.01384	25.4
72.99290	1.2
81.03455	2.1
85.02932	5.8
87.00879	5.5
89.02442	27.5
93.03461	2.4
95.05027	30.8
96.05387	0.9
99.04515	10.7
101.02437	15.4
107.05022	12.3
109.06589	2.6
113.02450	37.5
114.02781	1.4
119.03503	9.5
125.06082	5.0
133.06599	2.5
138.04671	0.9
149.04570	1.1
151.07648	9.2
161.04562	2.4
167.85056	0.8
169.08710	25.3
170.09039	1.0
174.99225	5.5
179.05586	3.3
213.07683	100.0
214.08089	5.5
217.00308	16.2
244.65318	1.0
291.40802	1.0
309.47659	1.1
375.12943	63.5
376.13263	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	375.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27038	1.0
59.01377	100.0
60.01716	2.1
61.98822	8.0
63.41148	1.3
67.01901	1.7
69.03453	72.7
71.01382	33.8
72.42693	1.2
73.02937	2.3
80.68295	1.2
81.03466	3.1
82.98980	1.1
83.01408	1.6
85.02949	7.9
87.00860	2.6
89.02444	35.4
94.78946	1.2
95.01402	3.3
95.05016	8.4
99.00893	1.7
99.04501	6.8
101.02441	16.6
105.03455	2.4
107.05009	2.5
109.02923	2.3
113.02455	14.1
115.00357	3.0
119.03493	15.1
121.02940	2.4
121.06599	13.0
125.06081	6.0
133.03052	1.5
135.04527	1.4
139.07661	2.4
143.03493	5.0
147.04439	1.5
149.00958	1.4
149.04927	2.1
149.06062	11.4
151.07645	31.8
161.02414	6.2
161.04517	2.8
169.08707	7.8
174.99252	9.2
175.04042	2.4
177.01918	3.8
179.05602	3.0
193.05064	1.7
195.06633	17.7
216.98154	1.9
217.00276	30.0
219.02980	5.1
233.04509	2.8
237.04018	5.6
277.03580	3.6
293.06631	1.3
307.19730	1.2
337.05573	12.6
339.05997	2.0
374.98965	1.6
375.03036	1.9
375.08386	2.5
375.12930	38.5
376.13306	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	375.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98828	4.3
70.82672	5.2
71.38991	2.9
81.95344	3.5
84.98347	3.5
101.30557	2.9
109.06616	4.8
109.23280	2.6
123.08124	3.4
125.09774	4.2
127.91250	3.0
137.06085	8.1
167.07104	10.4
171.10312	5.9
174.99251	21.0
201.11360	8.9
213.11403	3.2
217.00307	77.3
218.00687	4.2
303.15900	5.6
321.17102	24.2
328.11188	2.8
339.18005	6.5
374.99255	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	375.1578
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	64.9
69.08665	29.3
71.79109	3.7
71.96362	3.8
74.56848	3.7
82.05728	4.4
98.22635	7.0
109.06626	4.3
137.06067	5.0
143.71729	4.4
159.30231	4.5
174.99193	27.1
196.87267	3.9
217.00298	100.0
222.09367	4.5
246.57901	3.5
247.07465	5.2
261.14807	5.4
275.16516	4.7
285.14798	6.4
303.16049	15.7
321.17139	36.9
324.91666	4.1
374.99030	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	375.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95116	1.2
56.61116	0.9
58.62870	0.9
59.01380	13.9
59.54701	1.0
60.18063	1.0
61.98813	1.1
62.52636	1.0
68.74757	0.9
69.03442	2.1
69.68047	1.5
69.68377	1.6
71.01383	9.7
80.91677	8.9
94.04233	2.5
95.05014	1.0
98.03745	7.3
99.92579	3.8
118.54635	0.9
174.99278	6.6
177.09177	3.5
190.09824	1.1
192.11545	7.8
205.12341	3.0
216.15007	1.0
217.00285	16.8
218.09435	2.4
220.12489	1.6
220.14687	38.3
221.15471	100.0
222.15822	7.0
229.15947	2.3
231.17361	1.3
236.10542	83.1
237.10979	4.7
254.85561	1.1
271.20721	3.0
283.14410	1.0
289.21674	3.7
293.17596	43.4
294.17816	3.7
318.09467	2.4
321.15323	2.0
323.29025	1.0
333.20706	23.1
358.08545	2.8
375.17825	10.4
376.21667	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49935	0.6
59.01380	11.9
61.98816	0.7
63.96240	55.6
69.36189	2.9
79.95737	100.0
80.96506	5.2
81.73425	0.7
96.96019	4.2
98.22565	1.6
98.95483	0.7
119.98913	0.7
130.22360	0.7
132.99634	3.3
158.96657	0.6
171.10257	2.5
174.99271	4.3
175.07991	5.5
183.13855	5.3
191.07475	36.8
192.07700	1.4
194.92857	1.0
195.13921	2.2
201.11298	3.3
217.00298	13.8
263.09641	0.8
277.21771	3.0
293.21243	5.1
295.22775	13.3
295.26105	0.9
296.23285	1.5
357.17450	4.4
375.18445	47.1
376.18799	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	375.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
66.79399	0.5
69.71636	1.5
74.99052	3.5
93.00140	0.5
98.22631	0.7
100.43516	0.5
102.35655	0.5
104.00944	0.5
105.86046	0.5
143.05324	1.2
159.08464	10.0
161.06433	2.3
192.98114	1.0
209.01308	2.6
217.07225	0.9
275.05887	1.1
277.07419	2.5
289.07584	2.0
291.09097	98.8
292.09277	10.8
309.10187	0.9
357.13770	2.5
359.15353	100.0
360.15494	15.9
371.79050	0.5
375.18488	10.8
376.18524	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	375.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37472	0.5
57.77278	0.5
69.72114	1.1
69.72504	1.1
74.99076	3.2
81.31755	0.5
83.86119	0.5
93.00108	1.3
96.70303	0.5
111.06994	0.5
113.14693	0.5
119.58902	0.6
128.02953	0.4
143.05293	1.1
149.00961	0.8
159.08485	13.5
161.06390	3.0
192.98067	1.0
209.01260	3.1
217.07188	1.9
233.01236	0.5
261.04431	0.8
275.05875	1.2
277.07602	3.1
289.07495	2.2
291.09113	100.0
292.09241	12.8
309.10376	1.0
357.13843	2.1
359.15372	96.4
360.11044	0.8
360.15549	15.4
375.18460	9.2
376.18689	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58741	1.9
57.28321	1.6
58.33126	1.8
59.01384	46.2
59.41387	2.0
69.83765	4.6
69.84096	2.1
75.92536	1.8
91.05059	1.8
91.69286	1.9
95.05008	3.3
111.71676	1.6
111.87901	1.9
121.10245	29.3
122.10625	2.4
149.93564	1.6
171.10272	63.8
172.10657	2.2
174.99252	3.0
177.16487	1.9
185.11668	2.4
207.10091	2.1
217.00224	5.0
231.21181	3.9
232.15688	1.9
256.37927	1.8
275.20181	100.0
276.20438	7.9
278.11340	8.6
293.21252	91.7
294.21454	9.1
297.18488	3.9
315.19385	52.1
316.19669	4.2
317.21136	3.7
375.16989	5.2
375.21439	37.9
376.21689	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	375.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	5.7
59.01377	25.6
61.98832	4.1
65.76066	1.5
96.96037	1.9
98.21865	3.5
113.09735	19.5
121.06641	2.2
130.91095	1.4
167.10782	1.9
169.19908	1.3
171.10416	1.9
174.99243	2.2
195.13887	3.0
217.00334	5.8
217.12111	3.5
235.13155	1.8
235.38731	1.5
247.09612	2.1
275.20316	2.2
293.17789	2.3
293.21216	79.3
294.21606	6.6
315.19403	100.0
316.19635	8.2
317.21146	2.9
349.27377	1.7
375.16980	2.5
375.21326	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	375.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04674	2.0
59.01377	22.2
61.98821	3.7
62.48058	2.1
63.70576	2.0
66.94777	2.2
71.45117	2.1
73.98312	2.9
81.21651	2.3
81.26767	2.3
102.86241	2.3
114.68453	2.3
125.09738	4.2
174.99252	3.9
185.11789	11.9
190.57675	2.2
197.11884	2.6
217.00276	13.8
293.21198	100.0
294.21490	7.4
297.21902	3.0
314.92477	2.3
315.19415	38.2
316.19827	2.5
331.20898	5.3
375.20535	13.2
376.20596	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	375.2539
Annotation	Broussonetone C
Peak:m/z	Relative Intensity
55.01878	47.5
56.02215	1.0
59.01373	1.3
61.07318	0.5
61.98825	0.7
69.89789	0.5
71.10250	0.5
72.87361	0.4
72.91733	0.4
73.02945	30.5
80.94830	0.4
127.39449	0.4
148.89651	0.5
150.26596	0.5
158.01540	0.6
209.24411	0.5
217.00198	0.8
227.91882	0.5
250.64626	0.4
293.17609	1.1
295.09991	0.6
301.21695	7.6
302.22156	0.9
319.22757	4.2
375.25375	100.0
376.25690	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	376.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	17.8
61.98829	2.9
69.49984	6.4
79.05529	2.3
84.04549	5.5
85.02924	3.3
98.21931	3.0
100.04044	13.8
101.02425	1.5
102.05611	100.0
108.04618	1.6
128.03554	28.7
143.08643	2.5
146.04596	67.0
147.04930	2.1
158.35080	1.3
159.11789	11.0
160.84152	2.3
161.13380	2.6
174.90433	1.4
181.07492	2.0
185.09705	3.3
187.11235	5.2
196.09811	2.2
202.12415	5.7
203.10793	2.2
218.00534	2.3
225.06444	1.7
244.17079	2.2
247.09740	3.9
270.14999	3.4
286.14651	1.5
288.16034	18.6
289.16272	2.1
314.13885	2.7
332.15021	7.6
341.06131	3.0
358.12952	1.5
375.27496	3.1
376.14023	22.8
376.27869	2.8
377.14703	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	376.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98824	16.4
70.16240	21.7
71.01377	16.8
77.46536	11.2
78.68614	10.8
79.39366	11.5
112.84697	10.3
130.08754	13.2
154.22150	11.4
197.29314	10.7
289.45154	10.9
307.90393	11.2
376.22589	16.1
377.25278	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	89.5
61.98825	55.7
70.42428	56.8
83.66256	23.1
101.02493	36.1
130.91676	26.2
137.06133	23.0
149.06192	25.1
163.61754	29.9
175.99503	37.3
201.11348	28.0
217.00269	49.9
219.00748	24.9
222.43375	25.1
226.57147	28.0
305.17526	100.0
321.17096	77.4
322.17337	66.5
341.19830	44.1
349.23764	36.3
377.23196	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
59.15330	8.7
61.98828	30.0
77.22612	8.6
89.46850	8.1
99.46638	8.8
101.02422	9.0
123.19875	8.8
217.00221	10.0
218.00830	12.9
238.81718	9.2
246.13083	10.2
331.57086	11.3
376.25104	11.0
377.19635	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.0
69.24562	11.6
71.05027	2.0
75.81335	1.9
83.05019	2.6
85.31277	1.8
97.06554	9.4
106.20334	2.1
109.06611	2.4
127.49774	2.1
135.04495	1.9
173.13339	2.8
199.40013	2.1
201.12875	10.6
217.16078	10.8
217.18030	2.2
219.13829	4.6
219.17587	2.0
235.16985	4.8
237.16310	3.2
252.86324	2.2
255.17537	4.6
260.63574	2.0
264.99521	2.1
271.20679	3.5
299.16730	3.0
306.94406	2.6
317.21149	18.0
333.20721	100.0
334.20981	12.3
351.21597	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	376.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	45.3
60.43515	10.2
61.98829	35.7
69.65029	13.4
69.65367	30.3
86.36187	11.0
95.62899	13.1
98.04451	12.3
115.97034	14.5
141.51274	11.8
143.09035	12.8
144.67134	13.1
201.31848	11.7
217.00253	24.7
219.17426	11.9
233.42339	11.3
289.21695	38.3
333.20700	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	376.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80091	1.7
59.01386	2.3
62.29416	2.0
69.03447	2.1
69.18504	2.2
70.73777	2.4
83.52620	1.9
97.06597	5.7
135.04523	3.9
135.25023	1.9
148.95486	1.8
166.38527	2.3
201.12909	4.5
203.10788	2.6
217.16028	2.2
219.13910	6.2
219.17545	10.5
251.16219	2.0
299.20187	5.0
301.18127	10.3
317.21204	67.8
333.20712	100.0
334.21097	12.9
376.17184	2.2
377.18341	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	376.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
62.65768	3.6
69.57368	14.9
78.47241	3.4
80.01931	3.1
98.22649	6.5
140.27654	3.6
147.02547	3.3
159.25500	3.5
161.68073	3.0
195.19521	3.4
199.90768	3.6
246.48439	3.7
257.18851	4.7
273.18552	12.7
301.18005	20.9
327.19858	4.9
333.17053	6.6
333.20694	100.0
334.21088	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	376.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.9
62.34548	1.2
63.46978	1.2
69.03468	2.1
70.04987	3.7
71.01382	2.4
71.64694	1.1
79.95737	33.1
80.91691	1.6
80.96112	1.3
80.96511	6.4
82.95433	3.1
94.04247	5.4
95.05055	2.0
97.02972	2.8
98.03732	16.7
98.22528	1.2
99.92587	9.1
106.98100	9.7
124.00737	8.3
133.35942	1.3
134.37560	1.4
155.32770	1.1
157.02498	1.1
158.97179	1.3
159.89400	2.8
178.01793	3.4
190.17798	1.3
218.00754	1.9
220.14688	2.0
221.15298	8.0
222.15791	12.7
228.58836	1.4
229.15926	3.1
231.17586	2.5
236.10526	6.2
237.10896	12.7
250.07552	15.8
271.20718	6.9
274.19412	1.4
275.52295	1.3
289.21722	8.1
290.21854	1.6
291.92319	1.2
294.17987	6.6
306.86133	1.4
314.10052	1.4
322.15784	1.2
333.20715	43.7
334.21127	3.1
354.80670	1.5
358.08676	10.0
376.21637	100.0
377.21988	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	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	40.0
59.34130	3.8
60.32538	3.9
70.51776	3.6
71.01387	32.8
71.42899	3.9
74.14119	4.7
74.90926	3.7
87.00882	11.2
89.02440	33.3
95.05119	4.7
101.02453	12.3
113.02438	12.1
119.03464	10.5
133.01419	5.4
133.02905	4.3
135.04530	9.6
161.02420	4.3
161.04584	5.4
179.03554	10.0
179.05560	24.0
215.03259	18.9
219.12138	4.1
295.92010	4.1
341.10910	100.0
342.11255	8.3
377.08542	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	40.0
59.34130	3.8
60.32538	3.9
70.51776	3.6
71.01387	32.8
71.42899	3.9
74.14119	4.7
74.90926	3.7
87.00882	11.2
89.02440	33.3
95.05119	4.7
101.02453	12.3
113.02438	12.1
119.03464	10.5
133.01419	5.4
133.02905	4.3
135.04530	9.6
161.02420	4.3
161.04584	5.4
179.03554	10.0
179.05560	24.0
215.03259	18.9
219.12138	4.1
295.92010	4.1
341.10910	100.0
342.11255	8.3
377.08542	73.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69354	23.1
55.79737	23.6
59.01374	100.0
61.98821	52.2
69.57349	21.3
70.71981	21.0
70.82637	40.9
87.17106	22.5
154.12495	24.1
161.02379	29.7
217.00356	28.7
224.31377	23.2
241.01955	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88652	0.9
59.01380	19.6
59.54305	0.9
60.56819	0.8
61.98827	3.3
63.00435	0.8
69.79508	2.0
69.79868	1.9
71.01387	3.6
72.99296	1.0
85.02937	1.1
89.02438	3.4
96.96009	9.3
101.02425	1.8
108.04560	7.7
114.93478	1.1
117.03510	1.2
119.05013	6.0
122.06152	1.4
123.00861	0.9
136.07655	4.0
137.02411	1.0
142.46593	0.9
161.04541	1.7
163.03987	2.5
179.03452	4.4
184.07655	1.8
188.97157	1.8
191.00290	1.0
193.01819	2.2
199.70633	1.1
200.05948	2.0
212.05937	3.7
214.12314	3.6
218.99750	2.6
227.08266	24.0
228.08592	1.7
230.98170	1.1
235.02884	2.6
242.10626	16.2
243.10907	1.4
246.91843	1.4
247.02814	2.1
257.12964	100.0
258.13315	7.8
261.00647	5.5
273.00879	7.3
273.18738	1.0
290.91089	1.2
332.08777	1.2
345.10834	12.7
346.11185	1.7
347.11310	2.7
377.12775	1.1
377.17856	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	377.1425
Annotation	Go 6976
Peak:m/z	Relative Intensity
54.17972	2.0
58.09378	1.6
58.12666	1.6
59.01420	1.9
61.98807	4.7
70.46361	3.6
84.93880	5.7
96.95994	1.9
99.92587	74.8
100.92664	3.4
100.93359	14.7
101.93410	2.2
115.92078	26.6
116.92866	100.0
117.92828	4.4
122.26283	2.0
254.79817	2.1
277.21841	6.6
292.52960	2.1
293.17545	7.5
308.07193	3.2
359.13010	2.5
377.14197	56.9
378.14465	10.3
391.12326	4.1
397.67026	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	377.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	59.7
60.47019	3.2
61.98827	9.3
71.01397	4.8
73.02943	5.1
82.95423	4.2
84.20809	3.0
89.02452	3.6
90.39059	3.5
96.71024	3.6
99.83408	3.5
101.02448	3.8
130.08824	3.2
135.04619	3.4
137.09700	15.7
141.96362	3.7
155.10777	100.0
171.10283	28.8
179.31615	3.6
181.08798	3.9
199.09770	22.9
217.10811	39.7
258.14270	3.7
273.13483	21.3
291.14493	86.7
292.14871	5.2
315.08472	7.0
333.15527	46.4
341.10699	6.8
377.15668	16.4
378.06967	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	377.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01721	1.3
61.98836	0.6
69.39492	1.2
73.02944	0.7
117.28817	0.3
128.03606	0.5
146.04582	0.8
161.04430	0.4
163.24011	0.3
180.22560	0.4
188.06937	0.4
196.53618	0.4
197.55658	0.4
200.12686	0.3
203.12798	0.5
231.61792	0.4
339.20193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	22.5
61.98844	100.0
67.25030	16.0
69.34679	17.5
69.87797	31.3
69.88129	24.3
84.31971	16.1
92.56002	16.9
184.58937	18.2
198.49109	18.0
212.52264	19.7
219.97797	51.2
238.88635	18.3
247.19807	17.1
377.98483	16.0
385.58331	16.0
393.82043	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51141	5.9
52.22851	5.2
53.01282	4.8
59.01371	9.1
61.98837	36.7
63.37486	4.5
68.22344	5.2
69.36690	9.7
69.37067	14.4
69.47806	4.7
98.22670	6.6
205.12241	7.0
219.13887	12.3
285.18628	49.2
286.18808	7.4
300.19675	32.0
317.21188	11.4
330.20758	100.0
331.20996	7.7
346.20297	10.6
377.09747	5.5
377.16675	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	377.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.3
61.98830	4.3
62.39875	1.2
65.45268	1.0
69.96400	2.4
78.91158	1.0
80.05055	8.6
87.53674	1.2
92.19078	1.0
98.21950	1.5
116.92886	1.3
146.70885	1.0
187.17249	1.0
191.84534	1.0
205.12303	7.3
219.13884	65.4
220.14334	7.8
231.17496	1.3
236.35217	1.0
252.13522	1.1
256.20682	1.3
285.18594	7.7
300.19565	6.9
330.20734	100.0
331.21045	12.5
377.18469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56853	1.0
59.01369	1.7
61.98815	3.9
69.03421	1.3
70.99300	1.1
95.45370	1.1
109.05341	1.0
109.66409	1.2
111.06890	3.9
112.07679	1.3
205.12308	8.0
219.13896	75.1
219.97740	2.4
220.14273	5.7
285.18536	9.2
286.18869	1.5
286.21777	4.3
300.20267	2.2
330.20721	100.0
331.21115	13.0
377.20389	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13123	0.7
55.76965	0.8
59.01379	100.0
61.98810	2.4
66.17008	0.7
69.38071	2.6
71.01385	8.8
73.02937	3.7
79.09667	0.8
83.01367	2.0
85.02955	6.0
89.02439	2.8
94.26774	0.8
99.00860	1.7
101.02441	8.5
104.81207	1.0
113.02437	3.9
119.03487	1.3
161.04536	3.1
335.20734	13.3
336.20895	1.8
341.10785	1.2
377.08746	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	21.1
61.97384	1.0
61.98817	2.5
65.99278	0.9
70.36897	2.0
79.55415	1.0
80.81200	1.2
96.96033	3.3
99.92609	1.6
125.09692	1.9
141.12909	1.2
154.75514	1.0
171.10271	32.6
172.10664	1.5
194.39195	1.0
219.97578	1.1
223.08080	1.0
227.33008	1.0
249.22218	1.3
255.86192	1.1
258.98807	1.1
259.20554	1.4
265.14719	5.8
277.21719	38.8
278.22137	2.9
281.62991	1.3
295.22778	100.0
296.23102	9.3
317.20972	33.8
318.21356	2.6
361.19809	1.8
377.23041	30.5
378.23322	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	377.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.1
61.98822	1.2
69.14713	4.3
76.83049	0.6
97.98707	0.7
125.09721	2.6
141.12834	1.1
151.04216	0.7
151.11293	2.3
226.58722	0.7
249.22166	1.6
251.23749	1.8
295.22775	100.0
296.23163	8.9
317.20963	30.5
318.21289	2.6
377.19174	0.9
377.23132	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	377.2332
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
51.47309	1.6
59.01379	2.8
61.98829	2.2
64.10777	1.5
69.75891	4.5
75.14989	1.5
96.96028	1.7
98.22690	1.6
104.73759	1.3
178.35307	1.7
219.17575	13.7
220.17902	1.4
233.78879	1.7
248.10616	1.3
263.16617	2.6
273.22183	3.3
317.21210	100.0
318.21558	10.3
377.16840	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2334
Annotation	Melissoidesin M
Peak:m/z	Relative Intensity
51.30489	1.8
54.36766	1.9
56.65815	2.2
59.01387	4.0
61.98833	100.0
65.51821	2.4
65.86967	2.3
79.47872	2.4
98.22689	4.7
102.75436	2.0
111.63654	2.3
169.35597	2.2
178.24820	2.4
219.17599	17.1
271.20883	3.0
273.22339	4.2
317.21213	91.0
318.21436	11.3
324.92352	2.1
334.21045	12.9
377.18484	4.6
386.35355	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02864	0.8
54.82946	0.8
55.92562	0.9
57.03439	6.8
59.01382	1.8
61.98829	90.0
69.62628	2.0
69.63012	2.0
83.01404	4.6
83.52285	1.0
91.74637	1.1
98.22616	1.7
119.05034	2.9
119.48682	0.9
125.02448	100.0
126.02781	3.9
148.64990	1.2
152.99626	1.8
167.03468	1.1
172.63213	1.0
189.05554	2.7
291.50351	0.9
315.08722	15.0
316.09027	2.4
349.23877	2.2
379.17285	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	378.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43487	0.4
59.01378	1.4
61.66166	0.4
61.98833	100.0
70.97910	0.4
72.31634	0.4
80.17153	0.3
89.02432	0.4
91.92217	0.4
109.40903	0.4
111.74717	0.4
118.03268	0.5
153.05682	0.5
179.59323	0.4
180.06657	0.8
209.00572	0.4
266.62207	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06337	1.1
61.98831	100.0
69.55128	1.0
70.81660	1.9
70.90363	1.1
97.39230	1.1
104.29394	1.4
110.15643	1.2
134.59480	1.3
219.97653	1.7
322.37274	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	378.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
110.44199	1.2
155.63455	1.0
175.96724	1.1
179.10860	1.0
198.34103	1.2
200.69182	1.1
219.97775	2.1
318.21710	6.4
325.43893	1.1
333.20685	1.4
347.12152	1.1
379.24768	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99620	1.7
59.01375	7.0
59.71545	2.1
61.98835	15.4
64.04085	2.1
64.97085	2.2
70.88081	3.2
71.05025	10.5
80.96972	1.7
170.36548	2.4
219.17535	7.8
219.97729	5.0
233.79326	2.0
243.69707	2.3
246.09399	2.3
263.16486	27.8
264.91083	2.4
288.74554	2.3
335.22266	100.0
336.22739	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	378.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.7
59.90974	3.7
61.98830	16.6
64.72263	3.6
70.17221	5.8
70.17548	6.5
71.05006	7.8
84.10631	3.3
98.22675	4.5
109.96489	3.2
122.03728	5.1
139.31664	3.7
164.40689	3.5
215.68259	4.7
217.60928	3.7
218.28598	3.7
219.97736	6.6
241.09686	4.4
287.16635	22.1
302.17685	3.6
305.17560	50.3
335.22290	100.0
336.22592	12.7
362.87146	4.1
379.21124	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	378.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	4.9
61.98822	13.0
67.07551	1.6
70.58120	2.7
71.05035	2.6
74.19940	1.6
83.05025	2.5
151.18759	2.0
185.21109	1.6
213.11284	3.9
214.04350	1.7
215.13092	2.0
219.97723	3.6
247.20667	4.5
261.22195	19.2
262.22754	2.1
263.16440	4.5
273.22278	9.7
289.21829	3.7
291.19669	78.9
291.22916	3.0
292.19904	6.8
335.22275	100.0
336.22665	10.3
343.21243	2.0
343.25040	2.7
379.43521	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	378.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	5.0
61.98821	9.8
70.99437	2.6
71.05014	3.1
74.00100	2.3
75.94640	2.5
79.13459	2.2
79.84942	2.6
81.03426	4.4
84.01797	2.1
110.79543	2.5
117.18578	2.2
153.41301	2.4
219.17572	26.4
219.97711	6.1
261.22241	17.9
272.26849	2.4
273.22232	6.5
291.23117	3.0
308.25668	2.6
335.22263	100.0
336.22580	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	378.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98818	15.5
69.39994	14.4
78.47609	2.8
98.21893	3.9
154.55374	3.5
168.74294	2.7
202.11774	2.8
219.97821	8.6
231.65736	2.9
261.22098	6.1
291.19672	7.7
335.22260	97.0
336.22656	15.6
378.98154	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	378.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81160	2.3
56.52884	2.6
59.01363	7.1
61.98830	12.9
63.04981	2.3
66.32349	2.4
67.51435	2.6
70.16807	4.6
70.17129	2.9
70.33186	2.3
71.05026	8.8
125.87386	3.6
181.60741	2.3
203.14406	3.2
207.84467	3.0
219.17549	10.2
219.97775	9.3
222.98274	2.4
263.16541	32.7
266.45416	2.5
291.19467	3.9
331.15482	3.1
335.22256	100.0
336.22519	10.3
379.39859	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	378.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.0
61.98823	6.9
64.18128	1.8
65.95659	1.6
69.60358	3.9
69.60755	2.9
71.05038	2.0
91.04053	1.8
95.05006	1.7
97.06576	3.3
98.21887	3.2
125.09721	2.0
135.08159	4.0
144.22853	1.8
145.63112	1.7
185.11861	5.1
219.97948	2.1
243.17543	3.1
255.68141	1.8
261.22235	3.4
273.22244	36.6
277.17841	1.7
287.16568	9.5
305.17596	22.9
316.57254	1.6
327.71786	1.8
335.22284	100.0
336.22717	11.2
379.21136	4.4
383.46530	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	378.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16966	2.5
53.36588	2.4
56.40415	2.2
59.01375	8.3
60.00907	16.7
69.50477	7.3
69.50896	4.3
69.53089	2.4
72.80926	2.7
97.06602	2.9
98.21917	5.4
124.42455	2.5
130.17725	2.6
160.00539	2.6
171.65907	2.8
225.96815	2.9
227.75116	3.0
231.28050	2.8
249.88416	2.6
261.22256	4.5
263.80106	2.9
273.22205	31.4
317.17679	6.6
335.22266	100.0
336.22662	9.1
378.19272	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	378.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.8
59.01376	4.8
70.96696	1.6
97.06568	1.5
140.71182	1.4
150.42749	1.6
186.99518	1.5
261.22183	25.6
262.22632	3.1
273.22211	15.8
274.22217	1.6
289.21640	2.3
291.23364	8.8
335.22260	100.0
336.22525	13.2
386.07297	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	378.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	65.9
61.98835	65.9
69.51556	65.3
71.87985	15.4
77.47305	14.4
102.05611	100.0
128.03499	50.7
146.04602	44.2
149.87169	15.5
153.84451	15.2
156.97476	15.8
166.75624	17.7
189.12903	25.7
236.26311	17.2
303.19577	18.7
309.31784	17.9
337.82385	16.6
378.15555	30.1
379.17212	36.4
379.21271	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38687	31.9
59.01370	74.5
59.63060	30.1
59.98439	41.4
61.98827	100.0
63.24460	26.5
64.76163	28.6
70.65076	51.7
98.87567	27.9
147.28682	29.1
200.07610	32.7
209.11813	52.2
219.97859	38.9
305.17499	68.2
306.17960	78.2
315.81058	27.6
323.18375	37.9
341.19684	42.2
379.21378	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0832
Annotation	Preussomerin EG3
Peak:m/z	Relative Intensity
57.24250	8.4
59.01382	86.3
61.98822	14.7
64.66445	8.2
68.99589	9.7
70.25338	11.9
70.25664	12.9
71.01367	34.4
78.95884	19.3
82.95412	30.2
85.02940	16.2
87.00847	8.4
87.79604	8.8
89.02433	31.0
96.97000	11.6
99.00866	17.8
101.02423	23.7
111.00857	29.6
112.98730	29.4
119.03519	12.3
119.05025	61.8
121.02958	42.7
129.01936	14.7
130.08734	74.9
133.01755	18.6
134.04710	11.0
135.04495	13.3
145.95998	8.4
166.97499	10.7
168.99843	13.8
173.00809	10.9
179.05539	23.3
181.04997	17.3
199.00937	11.5
217.00201	17.7
336.99072	10.4
341.10846	14.3
343.10556	90.3
379.08051	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	379.158
Annotation	DMH-1
Peak:m/z	Relative Intensity
50.61349	1.0
64.99005	1.0
69.83398	2.4
69.83780	2.1
78.72508	1.0
84.69597	0.9
84.93867	9.9
87.88031	0.9
93.98605	1.2
99.47297	1.0
99.92587	73.0
100.92590	4.3
100.93365	19.8
103.43737	1.0
115.92091	18.4
116.92863	100.0
117.92867	5.6
135.56802	1.1
180.83661	1.1
193.91718	1.1
299.57504	1.2
317.15576	1.5
335.16931	1.9
352.43030	1.0
361.14920	2.4
373.93524	1.0
375.12622	1.9
379.15802	66.1
380.16000	11.9
393.13596	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	379.1611
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.99564	1.7
59.01378	100.0
61.11032	1.8
61.52820	2.1
61.98816	2.9
68.58427	1.7
69.34374	6.1
69.34772	3.1
71.01012	3.3
71.01384	51.3
73.02947	9.5
75.00911	2.3
83.01369	2.9
85.02957	12.6
86.00099	1.9
86.42183	1.8
87.00888	4.3
89.02443	87.3
90.02806	1.6
90.17725	1.7
95.01404	2.2
98.22612	3.7
99.00856	2.5
101.02441	38.5
102.98634	1.9
113.02467	12.3
114.02845	1.8
119.03491	13.9
127.87039	1.6
130.42810	1.6
131.03497	30.3
134.04634	1.9
139.99348	1.8
143.03432	2.9
149.04555	49.4
155.10762	4.9
157.08638	2.3
162.83876	3.7
179.05580	5.9
191.05608	16.8
192.05861	2.0
199.09711	5.8
208.21222	1.9
233.06520	1.8
247.11940	1.9
266.55771	1.8
277.73001	2.2
292.56918	1.8
354.87073	1.9
379.16055	31.6
380.16278	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	379.176
Annotation	Hebeirubescensin G
Peak:m/z	Relative Intensity
53.15020	0.7
59.01218	1.0
59.01522	1.6
69.11814	4.4
83.05166	0.8
89.54610	0.7
95.05182	0.7
98.07502	0.6
98.21880	1.7
98.71727	0.6
108.48007	0.6
116.15952	0.6
125.02639	0.8
125.05341	1.2
125.06311	7.5
135.04683	0.9
135.08392	1.9
137.09966	0.7
140.31070	0.6
148.54875	0.7
161.02551	1.0
178.17558	0.6
178.69057	0.6
179.03732	0.8
179.07343	1.8
185.13512	0.7
187.14896	6.1
203.14488	1.0
214.02809	0.6
225.16647	2.4
231.14146	2.7
233.15616	0.9
241.16187	1.3
243.13971	1.2
243.17726	1.3
252.35091	0.6
253.16130	1.1
257.15558	0.9
259.13589	0.9
259.17236	0.9
261.14951	12.1
262.15411	1.0
271.17035	7.1
273.18777	2.5
275.13089	1.8
284.14285	1.5
284.88284	0.7
287.12952	6.4
287.16266	1.1
289.18234	1.2
299.16486	4.8
305.13943	9.1
306.14478	0.9
315.16052	1.3
317.17545	14.7
318.17807	1.3
333.17056	2.0
335.18726	2.1
343.15466	2.4
361.16550	94.2
362.16846	11.5
379.17572	100.0
380.17865	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1766
Annotation	2,3-Didehydrocinnzeylanone
Peak:m/z	Relative Intensity
51.12159	0.3
57.03454	1.5
59.01361	0.9
61.98823	0.6
64.26886	0.3
69.03439	0.4
69.13422	1.9
71.01326	0.3
73.26528	0.3
74.28590	0.3
78.31390	0.3
81.03465	0.4
83.05013	1.9
97.06582	1.2
107.05044	0.3
109.06619	0.7
111.35497	0.3
119.05048	0.5
123.08213	0.3
135.08145	1.5
148.06038	0.3
150.47166	0.3
151.07658	1.7
175.11275	0.4
177.12936	0.7
179.07123	0.4
189.12849	1.6
191.14386	2.3
203.14415	0.7
229.15945	0.6
243.13924	0.7
243.17526	2.4
245.15550	0.5
245.19107	0.8
255.17491	1.1
259.17014	1.9
260.17505	0.3
261.18652	0.8
271.16995	2.8
272.17282	0.3
273.18619	3.8
274.18909	0.3
289.18033	1.5
291.19583	1.2
299.16556	1.4
305.17636	1.4
317.17569	6.9
318.17792	0.8
333.17004	0.7
335.18604	3.1
336.18808	0.3
341.19662	0.4
343.21024	1.4
361.16428	1.0
379.17596	100.0
380.17947	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	379.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.59776	8.5
98.22700	2.1
105.54287	3.0
125.09718	4.3
169.12225	2.3
177.98169	2.3
185.11823	9.2
196.63460	2.3
201.11371	5.0
213.11324	24.8
215.12761	6.0
243.12279	4.1
267.64334	2.6
343.21036	4.3
343.24908	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	379.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95507	0.6
57.03453	2.2
59.01380	100.0
60.01705	1.3
60.70581	0.7
61.98814	0.7
71.01382	2.5
73.02950	1.3
75.00885	0.7
83.01413	1.2
83.05047	2.2
84.46494	0.6
84.47033	0.5
85.02975	1.7
87.00895	2.2
88.90679	0.6
89.02431	0.9
101.02448	3.8
112.98811	1.2
113.02454	1.0
122.95901	0.7
125.02454	7.2
130.08694	0.6
133.02943	1.5
135.04538	6.0
137.09795	0.6
149.00945	4.6
161.02432	4.4
161.04584	1.8
165.09238	1.8
175.04005	0.6
179.03470	4.4
228.20216	0.6
231.13934	1.0
235.13356	0.9
243.17505	2.0
245.15532	1.2
261.18558	1.6
262.02560	0.6
271.17001	1.2
273.18665	3.0
275.16617	1.0
289.18112	1.3
297.04001	1.6
317.17484	1.5
319.17639	8.4
320.17877	1.2
335.18655	12.2
336.18930	1.3
379.17603	68.8
380.17941	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	379.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50872	0.2
56.10569	0.2
58.41392	0.2
59.01379	100.0
60.01720	1.2
67.63112	0.2
69.20952	0.2
69.62160	1.0
70.19158	0.2
70.99921	0.2
99.68675	0.3
132.96480	0.2
140.48534	0.2
197.91919	0.2
277.16660	0.4
343.21240	0.6
379.17679	0.4
387.68787	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2489
Annotation	CHEBI:66714
Peak:m/z	Relative Intensity
69.03457	12.6
71.05872	3.9
141.45827	2.9
143.91602	3.2
247.20674	5.1
305.21188	5.2
319.22781	100.0
320.23114	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	379.2487
Annotation	Cordobic acid 18-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.0
61.98841	0.6
68.86391	0.4
69.34941	1.7
87.96356	0.4
91.19009	0.4
91.75110	0.4
110.54983	0.4
287.20331	0.9
289.21722	0.6
297.34219	0.4
299.20343	0.7
319.22852	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	379.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29587	1.2
59.01379	100.0
60.01711	2.3
61.56036	1.2
61.98827	2.0
126.26989	1.3
262.13876	1.5
275.86514	1.8
292.20114	1.6
336.22592	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	379.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23304	65.2
64.00536	74.9
68.49748	61.6
70.35072	100.0
70.35410	97.0
78.29882	66.6
148.83942	71.8
221.94685	67.1
283.46350	80.8
297.58258	75.2
320.31824	68.0
397.68558	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.0617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.6
71.01369	1.4
72.95388	0.9
78.95908	33.4
82.04119	1.4
85.16352	1.0
87.00921	1.0
87.42169	1.0
96.96047	11.5
96.96961	73.8
103.92008	1.2
104.33807	1.1
106.47246	1.2
107.03634	2.7
108.02048	3.2
108.90205	1.2
111.00872	5.9
126.03110	1.6
129.01907	1.5
130.08731	4.2
133.01570	21.4
139.04024	2.1
150.04214	100.0
151.04585	2.1
166.85829	1.4
166.97493	3.6
184.00967	1.7
201.02557	6.2
205.99886	1.1
210.96519	3.6
241.30508	1.3
248.01068	1.4
248.51910	1.0
282.08432	70.6
283.08737	4.4
306.88104	1.7
329.26245	1.4
391.06808	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1561
Annotation	trans-zeatin-9-N-glucoside
Peak:m/z	Relative Intensity
51.33694	1.4
58.98302	1.7
59.01109	2.5
59.01378	25.2
61.98814	2.2
69.71762	5.0
71.01384	35.3
71.01775	1.9
71.05022	7.2
85.02970	3.3
88.04037	5.3
89.02448	10.1
99.04528	3.0
101.02456	7.8
113.02467	3.5
116.05042	1.7
118.89969	3.0
119.03511	1.9
128.07225	2.1
146.08243	63.2
147.08582	2.5
161.04578	2.4
174.99228	1.6
177.83131	1.5
196.66098	1.8
217.00299	5.5
228.22536	1.7
298.32675	1.6
308.13504	4.4
323.13742	1.8
362.14334	2.0
380.15610	100.0
381.15939	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	380.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30661	1.7
59.01380	8.9
61.98829	100.0
69.18695	1.7
70.52901	2.7
83.05026	2.7
174.99223	2.7
217.00337	11.7
218.84433	1.6
247.17624	1.7
317.17514	3.6
331.14316	2.0
380.22507	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	380.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	8.7
61.98829	100.0
63.50921	1.7
69.43097	7.8
73.98049	1.5
75.21397	1.5
81.13800	1.5
93.16122	1.7
97.06604	2.2
129.11874	1.8
184.21095	1.7
185.11729	1.9
213.43317	1.9
217.00249	9.5
217.02084	1.9
227.33356	1.8
235.13318	2.7
289.18243	2.4
304.70474	2.0
308.19315	1.6
317.17407	2.2
345.17184	2.0
381.23074	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	380.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
70.31654	1.4
74.98386	0.8
96.99427	0.7
108.99420	0.7
109.20671	0.6
118.43339	0.7
127.09997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	9.8
60.20255	2.5
61.98835	100.0
69.72900	2.7
69.78606	8.3
72.56948	2.4
76.57903	2.3
90.50214	2.2
94.43037	2.3
94.68533	2.8
174.99248	4.9
177.77855	2.7
217.00346	17.8
218.46167	2.5
291.19440	3.6
313.84521	2.4
383.65027	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	380.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72489	1.0
54.00378	1.2
54.55754	1.1
55.67611	1.0
59.01357	3.2
61.98831	100.0
62.65904	1.2
69.16265	7.3
98.21937	2.2
98.63442	1.3
177.16440	1.3
217.00276	3.5
277.18088	4.3
279.19498	1.5
295.19293	6.1
381.26398	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	380.2078
Annotation	7-Angeloylrinderine
Peak:m/z	Relative Intensity
51.66693	0.8
52.88903	0.8
54.08221	0.9
57.03453	2.4
59.01375	3.7
59.32441	0.7
61.98816	1.0
69.03466	4.1
71.01381	1.1
71.05013	1.5
72.04550	1.4
84.04552	8.9
85.02938	1.1
85.06557	0.8
98.06123	3.1
99.04520	3.1
102.05610	25.7
109.90064	0.8
114.09235	3.2
128.03540	11.2
130.30608	1.0
130.45372	0.8
140.10811	12.2
146.04604	2.9
152.10863	1.6
158.76811	0.9
183.09016	1.0
217.00291	2.9
251.16510	38.7
252.16869	2.9
309.20450	1.2
336.21835	13.2
362.19882	4.7
380.20782	100.0
381.21118	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	380.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77750	0.9
59.01375	1.8
61.98829	100.0
70.13640	2.6
72.11536	1.3
130.38962	1.0
149.94960	1.1
161.43706	1.1
164.71992	1.2
318.54391	1.3
333.20795	6.0
334.21075	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	380.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85193	2.3
61.98828	100.0
68.74226	2.4
69.14056	10.6
86.70917	2.5
98.16997	2.5
158.86763	2.4
174.84419	2.3
232.48183	3.3
234.75243	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	380.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55106	8.1
52.67223	7.6
57.03460	11.0
59.01379	46.7
60.61830	7.8
60.84597	9.2
61.98816	36.1
69.03449	7.8
92.73997	7.3
95.79720	8.0
101.39508	8.0
114.57939	9.9
174.99277	15.2
217.00287	61.5
247.20595	22.3
317.17618	10.1
321.85083	8.9
322.65201	8.9
337.23865	100.0
338.24197	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	380.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01707	1.4
63.20301	0.5
68.05618	0.5
70.94955	0.6
75.39925	0.4
87.18507	0.4
93.05923	0.4
131.11903	0.5
157.82516	0.5
158.32036	0.5
172.45319	0.5
176.69199	0.5
204.79477	0.5
236.48994	0.5
266.04297	0.6
311.65399	0.5
320.25931	0.8
339.22531	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1321
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82962	14.0
58.37952	14.1
59.01372	81.2
61.98819	17.5
69.59032	54.5
71.63618	12.0
78.95901	24.6
93.54722	14.1
94.29116	11.5
103.69720	13.9
111.99386	14.3
152.99585	51.6
165.63980	14.0
217.00363	100.0
264.45926	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	381.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	97.0
61.98820	91.6
62.51483	19.5
66.57499	20.0
69.21116	36.1
69.21520	100.0
98.22673	38.0
103.60971	23.9
132.75320	20.3
156.03329	18.9
159.61336	20.4
167.44135	21.3
182.08209	30.3
183.10252	96.9
217.00284	78.4
281.14005	42.0
325.12799	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54325	0.7
57.91855	0.6
59.01362	0.7
59.96718	1.7
61.98826	1.4
67.28845	0.7
69.10851	3.3
74.99075	25.0
91.02212	45.1
92.99615	1.2
93.00138	13.0
122.73834	0.7
143.05333	1.8
159.08472	100.0
159.26547	0.6
159.70811	0.7
160.08708	5.2
161.06387	10.4
177.09370	1.1
204.95105	0.7
217.00388	0.9
365.11060	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	381.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
96.96004	62.0
99.92585	40.5
100.93378	8.5
110.08713	8.2
115.92066	24.2
116.92863	100.0
118.38596	7.0
119.06668	8.4
124.38007	8.5
149.02921	8.2
240.91516	9.3
381.17380	68.4
381.23212	93.7
382.17450	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	381.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97286	1.0
55.01870	3.8
57.03457	2.5
59.01382	36.3
69.82105	1.2
71.01385	33.4
73.02953	15.3
77.24854	1.0
83.01377	7.5
85.02956	19.1
87.04556	0.9
87.08176	1.1
89.02435	8.7
95.01392	1.9
98.29325	1.1
99.00868	6.4
101.02446	40.9
111.00871	1.4
113.02454	16.5
131.03531	2.6
143.03529	2.4
149.04573	1.3
159.02994	3.3
161.04564	12.2
217.00334	3.3
229.55553	1.1
249.13435	100.0
250.13768	6.1
267.69965	1.0
305.51514	1.1
381.06122	3.2
381.17703	20.0
382.17831	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	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.1
57.03450	3.2
58.00595	0.3
58.22253	0.2
59.01378	33.0
60.01714	0.4
61.98831	0.3
69.03454	0.9
69.34767	0.2
69.71568	0.3
69.71896	0.5
71.01381	30.0
71.05023	0.6
72.01715	0.7
72.99311	1.1
73.02948	18.4
73.06590	0.7
74.03278	0.5
75.00879	0.7
81.03430	0.3
83.01387	13.6
85.02951	19.1
86.00101	0.8
86.03293	0.5
87.00888	1.3
87.04520	0.4
89.02442	3.9
95.01376	2.3
97.02969	1.5
98.22523	0.3
99.00885	5.2
99.04632	0.2
101.02442	42.4
102.02780	0.7
103.03997	1.7
111.00896	1.0
113.02451	13.2
115.04047	0.4
119.03515	0.8
125.02436	2.0
127.04006	0.3
129.01933	1.2
143.03491	1.8
143.07072	0.5
145.05064	0.7
159.02988	2.8
161.04561	14.7
163.06107	0.9
164.83644	0.3
177.01903	0.4
187.85388	0.2
217.00224	0.2
229.07135	0.8
235.11859	100.0
236.12209	4.7
247.08200	1.0
381.17645	28.8
382.18045	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	381.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01718	0.9
61.86978	0.5
64.30254	0.3
69.40636	2.1
71.01385	1.2
101.02469	1.2
158.09041	0.5
159.10307	0.5
161.04469	0.6
170.14331	0.5
174.99365	0.8
183.10263	0.7
194.86684	0.4
217.00290	2.2
234.50990	0.4
257.14340	0.5
321.19217	2.6
366.15976	0.7
381.12057	0.4
381.18411	0.9
389.08936	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	5.0
57.03452	5.6
58.00585	1.2
59.01381	91.7
60.01704	1.0
61.32615	0.6
61.98832	31.4
67.88335	0.7
69.03446	2.1
69.67213	2.9
71.01385	74.6
72.01729	0.9
72.99297	3.3
73.02949	28.5
75.00885	0.8
76.78067	0.6
82.12742	0.7
83.01393	16.4
85.02950	31.5
86.00098	1.2
87.00871	4.0
89.02449	36.9
95.01375	4.2
97.02945	2.2
98.22556	1.5
99.00891	9.9
101.02448	77.6
102.02772	1.2
111.00890	6.3
113.02454	23.0
115.04020	1.7
119.03440	1.4
125.02492	3.6
129.01990	1.6
131.03514	23.9
141.01936	0.7
143.03500	3.5
149.04565	11.1
157.08719	1.2
159.02968	3.2
161.04576	19.5
191.05582	1.3
203.52342	0.7
215.05556	1.4
217.00270	2.9
231.12422	1.3
233.06647	4.5
249.13429	100.0
250.13718	6.2
293.08948	1.0
295.52411	0.7
381.17667	93.4
382.17947	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	381.1918
Annotation	Viguilenin
Peak:m/z	Relative Intensity
57.03450	0.5
58.00581	1.1
58.48373	0.3
59.01381	2.3
61.98830	14.6
69.03448	0.5
71.01372	0.8
73.02939	1.5
80.16058	0.3
83.05054	0.3
87.00880	1.5
87.04500	1.0
101.02413	0.6
109.02954	0.6
112.98796	1.4
113.06051	1.9
121.02956	0.4
125.02429	1.3
125.09708	0.4
126.02777	0.4
129.01967	1.0
133.02933	1.5
135.04520	3.3
135.08162	1.2
136.04887	0.6
137.09743	1.8
144.04466	0.4
149.00925	1.8
155.10837	0.4
159.04514	0.5
161.02455	2.9
163.04155	0.5
163.11311	0.4
164.01814	0.5
179.03474	2.2
189.06693	0.5
217.00298	0.4
217.15967	1.0
219.03117	0.8
219.17647	0.4
231.17694	0.5
233.19019	1.1
241.40475	0.3
243.17526	0.6
245.19064	0.7
249.13478	0.5
250.01987	0.4
255.17606	0.7
259.17215	0.5
261.18597	0.5
263.20187	1.2
268.07480	0.5
273.18591	1.0
275.20096	0.6
291.19620	1.7
293.03140	0.5
293.17480	0.5
309.20465	0.3
319.09320	0.4
319.19037	0.4
326.10382	0.5
335.18628	0.5
337.20184	34.4
338.20511	3.5
381.19174	100.0
382.19443	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	381.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.2
57.16467	1.6
59.01376	6.4
61.98829	8.0
69.03465	7.7
69.34607	5.8
71.05008	2.6
98.21867	3.9
98.69496	1.6
99.04506	6.5
101.28041	1.7
112.99383	1.5
123.18055	1.6
156.84990	1.8
159.24271	1.5
159.63052	1.5
172.14459	1.9
175.29105	1.6
217.00262	6.0
238.29305	1.7
251.16519	100.0
252.16959	7.8
309.04416	2.1
335.22278	2.7
345.22699	7.3
397.54224	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	381.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	2.6
69.14365	3.0
69.14764	2.7
71.01373	4.0
73.02953	1.4
76.37408	0.9
85.02955	1.9
89.02435	1.4
101.02444	4.7
113.02439	2.2
119.03497	1.2
161.04588	2.7
206.44803	0.9
217.00356	2.8
321.19159	10.2
322.19296	1.1
345.15564	7.4
381.19257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	2.6
69.14365	3.0
69.14764	2.7
71.01373	4.0
73.02953	1.4
76.37408	0.9
85.02955	1.9
89.02435	1.4
101.02444	4.7
113.02439	2.2
119.03497	1.2
161.04588	2.7
206.44803	0.9
217.00356	2.8
321.19159	10.2
322.19296	1.1
345.15564	7.4
381.19257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63721	0.9
53.98128	0.7
56.06372	0.9
59.01379	15.5
68.60986	0.8
69.77822	2.0
69.78212	1.5
74.48023	0.8
74.64445	0.7
141.12839	2.6
152.99538	0.9
153.10873	0.8
155.14482	1.1
174.99217	1.2
177.21220	0.9
209.89938	1.0
217.00285	4.7
253.25424	1.4
281.21289	1.1
281.24756	2.2
297.24503	1.0
299.25909	100.0
300.26254	8.4
319.22592	3.0
321.24142	4.7
349.98422	0.9
363.28998	3.2
365.23154	1.4
381.26248	22.8
382.26508	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	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55186	0.4
52.55505	0.4
54.30219	0.4
55.76917	0.4
59.01380	3.1
61.98809	1.0
71.44324	0.6
80.67280	0.4
84.23604	0.4
88.21164	0.4
109.06538	0.6
127.70847	0.4
134.07382	0.4
137.06001	0.6
137.09779	0.4
138.06859	2.2
149.06044	0.5
151.07587	1.7
170.05815	3.6
174.99232	1.4
192.11560	0.6
199.13336	0.6
199.80215	0.4
217.00278	6.2
233.19083	1.7
235.20663	1.8
249.18562	0.8
251.20187	2.8
261.18677	0.5
267.19748	0.4
277.18066	80.6
278.18402	7.0
279.19626	24.6
280.20010	2.4
293.30505	0.4
295.19131	100.0
296.19449	9.1
345.24463	1.3
363.25400	17.8
364.25708	2.7
381.26456	8.8
382.26797	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	0.6
62.26441	0.5
71.05038	0.7
96.67809	0.4
107.20393	0.5
109.77917	0.5
125.09669	0.5
127.11257	0.5
129.48608	0.5
138.06850	1.2
151.11250	0.7
152.99667	0.6
153.12842	3.9
163.11331	1.5
165.12842	4.1
169.12408	0.6
170.05856	1.8
179.10765	11.0
181.12343	35.0
182.12679	1.7
195.10254	3.0
197.11783	3.0
199.13390	100.0
200.13716	5.3
215.12894	2.8
286.38107	0.5
317.21252	0.6
363.25323	5.1
381.11105	1.1
381.26563	4.6
382.19980	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
68.87643	0.4
69.41141	1.9
72.75101	0.4
86.23479	0.4
101.05989	0.5
102.95741	0.4
109.06533	0.8
137.06023	0.8
138.06874	3.1
149.06041	0.7
151.07637	0.8
164.08441	0.8
170.05797	1.7
192.11456	0.7
233.19067	1.7
235.20642	1.0
251.20175	2.8
259.16989	0.6
265.17862	0.5
277.18079	80.3
278.18430	8.3
279.19647	24.8
279.22144	0.4
280.19812	2.6
295.19144	100.0
296.19473	10.1
345.24036	0.4
363.20837	0.8
363.25418	17.9
364.25616	2.4
374.09866	0.5
381.26450	6.3
382.26913	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50481	1.0
53.95604	0.9
55.28185	0.8
56.32501	0.9
56.83938	0.9
59.01370	7.7
61.98831	100.0
69.41191	5.2
93.65958	0.9
98.22686	1.1
99.24792	1.0
112.42708	1.0
129.58763	1.0
137.76854	1.0
148.40407	1.1
151.11250	1.1
163.88785	1.1
171.10191	1.2
213.13043	1.4
225.14929	1.3
237.14926	1.6
291.19601	4.2
309.20758	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	382.187
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80945	0.4
59.01377	0.4
61.98829	100.0
62.01628	0.3
69.62260	1.0
69.62606	0.4
166.25195	0.3
196.66127	0.4
231.74242	0.4
319.19208	1.1
335.22299	0.9
336.22562	1.1
347.18668	0.9
359.40436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	100.0
69.38430	13.8
72.10950	4.3
89.60089	3.3
91.57522	3.5
262.54065	4.1
300.69803	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	382.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
68.22849	2.5
70.97040	4.4
82.10291	2.4
106.49789	2.8
119.35404	2.6
129.22342	2.4
322.23511	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	382.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31226	1.9
59.01381	100.0
61.98825	3.3
63.64593	1.5
70.17728	3.5
84.69146	1.6
98.21844	2.0
105.19842	1.5
128.62401	1.7
135.51320	1.5
266.16556	1.6
309.00458	1.6
325.18378	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	383.0621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.06039	1.1
59.01371	4.8
61.98835	1.4
69.03457	100.0
69.37086	2.3
69.37472	2.5
70.03781	2.1
71.01376	2.8
72.99310	2.0
79.01894	2.4
85.02951	1.9
87.00908	1.5
89.02449	1.6
97.02950	20.1
99.00881	20.4
101.02480	2.1
118.58189	1.2
121.02975	2.9
141.01897	6.2
153.05602	1.6
180.04286	1.7
182.02129	1.7
185.00909	46.1
195.06706	1.4
197.01604	1.4
197.04532	3.4
197.97855	1.3
383.06161	7.9
383.19406	2.4
391.04587	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.077
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
57.24946	2.6
59.01383	3.7
61.98826	5.8
67.80014	2.7
70.27737	3.0
74.24486	2.4
89.56244	2.8
115.92120	4.0
121.02957	100.0
122.03188	3.4
122.30293	2.6
137.09752	2.6
165.12701	3.3
171.10339	3.3
191.03476	8.0
225.05515	6.5
225.47246	2.9
291.19794	17.9
295.06082	10.4
309.20773	23.8
311.09177	12.5
313.07114	15.2
339.08777	15.2
346.97223	3.3
383.07672	33.0
384.08060	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	383.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	88.5
61.98838	72.2
64.12112	9.4
69.03470	11.6
70.45421	19.0
71.01360	17.3
71.29287	8.9
72.68550	12.2
73.02937	11.4
85.02951	12.3
87.00873	17.0
89.02424	19.4
96.95971	17.8
99.00851	31.7
101.02430	22.1
112.98803	60.0
119.05011	13.5
135.04515	12.4
160.03958	17.6
161.02390	23.2
161.04419	28.5
161.07237	9.4
163.03940	61.7
164.04707	24.2
172.00119	20.8
172.95889	12.2
173.00967	14.7
178.06404	35.6
179.03532	20.6
179.07133	39.2
191.03499	50.3
191.07126	15.1
194.05905	19.6
203.03619	10.4
205.04993	19.4
209.08211	21.6
221.04601	11.4
221.08096	23.0
226.42514	10.2
237.08009	10.8
247.02235	13.3
251.09306	11.5
262.04886	24.8
265.07214	94.0
277.07089	53.6
295.08203	100.0
303.46408	10.2
323.07767	14.2
323.17010	39.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.7
59.01370	2.5
61.98824	1.1
69.03455	100.0
70.03793	1.1
70.66082	0.7
71.01388	2.0
72.99316	1.6
76.88968	0.7
79.01887	3.0
85.02991	1.2
95.01395	1.3
97.02950	20.3
99.00877	24.2
100.97931	0.7
106.97147	0.7
109.02975	0.7
118.67622	0.7
123.00878	0.7
133.10184	0.7
141.01947	7.9
141.26918	0.7
153.09187	1.7
153.80762	0.7
177.09235	1.4
185.00911	54.0
186.01277	1.5
203.00276	0.8
203.01950	3.5
222.08594	0.7
227.34395	0.7
347.17191	1.2
383.09628	5.8
383.20810	3.0
384.10184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83934	1.4
56.99804	1.8
58.00564	1.7
59.01376	18.6
60.99284	4.6
61.98814	6.6
68.99824	2.7
69.03445	2.6
70.95741	2.3
71.01371	13.3
72.99300	12.6
73.02943	2.8
75.00865	2.3
81.24550	1.4
83.01404	1.5
85.02940	2.5
86.00095	20.8
87.00880	10.6
97.02970	1.7
99.00851	10.0
100.98802	3.4
111.00887	16.2
112.98058	2.8
112.98809	39.5
113.02419	1.9
113.99611	18.1
115.00344	2.7
116.01170	8.1
119.05025	3.5
124.98785	4.0
127.00341	3.5
128.01207	10.6
129.01932	6.2
140.98309	2.1
141.99083	17.4
142.99921	7.1
144.00610	2.3
151.04025	3.1
153.05560	2.6
154.99846	1.9
161.02443	20.7
161.04532	1.6
163.03969	3.5
172.00133	100.0
173.00729	6.6
174.01622	1.5
176.04771	16.9
177.01868	2.9
179.02020	2.5
179.03497	33.2
180.03827	3.1
185.08083	2.3
191.07144	5.3
194.05827	46.8
195.06310	2.2
204.04167	1.6
207.06467	1.7
209.08188	84.9
210.08481	5.7
220.03766	1.7
222.22217	1.6
232.03706	1.9
235.06100	2.2
237.07761	2.3
247.06076	2.8
251.09192	2.6
265.07059	2.2
267.08737	5.8
279.08755	16.2
281.06680	4.1
281.10202	1.7
296.40189	1.5
307.08008	2.3
323.07715	48.4
324.07816	2.7
339.10861	12.9
353.08844	9.0
383.04892	2.4
383.09796	39.5
384.09967	5.0
400.91846	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	383.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	26.8
61.98811	17.9
69.45693	6.4
82.80437	5.7
83.41069	5.4
93.85851	5.9
96.26585	5.4
123.12495	6.3
124.33475	5.7
127.88819	6.0
171.44632	6.5
183.10336	6.3
185.11841	100.0
186.12178	7.3
383.07596	12.3
383.14679	6.2
383.20468	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	383.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70383	3.3
54.18619	3.6
54.91335	3.8
57.60077	3.8
59.01376	31.8
61.98835	22.1
69.13770	21.4
71.01379	17.1
73.02978	4.8
74.18550	3.6
85.02950	7.0
89.02443	5.5
101.02431	8.5
113.02441	10.3
115.15098	3.5
122.64446	3.3
139.08737	4.3
147.04529	4.4
161.04547	6.1
161.09610	4.8
179.10718	11.1
179.61447	3.9
188.08475	12.1
203.10785	100.0
204.11012	4.4
212.57571	4.0
229.15565	4.4
257.08539	3.6
323.17062	10.7
339.19144	4.9
356.21722	5.7
383.14459	11.1
384.21475	10.8
398.54617	4.4
401.31223	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	383.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.8
57.03433	2.8
59.01380	78.7
60.01715	1.2
61.98830	11.2
69.03448	0.8
69.15333	3.8
71.01383	38.6
72.99297	0.9
73.02946	12.9
75.00877	6.5
81.03469	1.2
83.01389	8.0
83.05023	1.1
85.02950	18.6
86.00079	1.2
87.00878	3.8
89.02444	9.3
95.01386	3.3
95.38054	0.9
96.44878	0.8
97.02935	1.1
99.00896	4.3
101.02447	31.6
107.05031	0.8
113.02443	14.8
119.03493	2.7
121.06600	3.0
121.10265	1.9
123.04476	1.9
125.02396	1.5
129.01933	4.1
130.26991	0.9
135.04578	2.5
137.09726	36.2
138.10049	1.2
143.03448	1.1
147.08173	3.5
159.03032	2.0
161.04532	6.7
161.09717	2.1
163.07628	2.3
163.11288	59.1
164.11606	3.2
175.11240	1.6
185.09776	1.0
187.07602	6.2
187.11240	1.2
188.08293	1.3
192.64082	0.9
203.10780	87.1
204.11115	5.4
219.05110	3.3
221.11850	12.5
261.13443	1.9
323.16986	1.4
333.65945	0.9
365.16025	21.8
366.16190	1.8
380.14835	0.9
383.17108	100.0
384.17444	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	383.171
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42739	0.2
57.03443	1.5
59.01378	3.6
69.03455	0.2
70.91116	0.2
71.01385	2.2
71.44630	0.2
72.99338	0.2
73.02936	0.6
77.44694	0.2
78.43383	0.2
83.05014	0.3
85.02956	1.0
87.00861	0.5
88.89418	0.2
89.02435	0.7
93.03442	0.3
95.01423	0.2
96.96014	1.2
97.02965	0.4
101.02422	1.2
107.05036	0.3
112.98819	0.5
113.02443	0.6
119.03526	0.2
121.06583	0.6
123.04518	0.4
123.08164	1.7
123.36680	0.2
133.02957	0.6
135.04536	2.8
145.06612	0.2
147.04527	2.3
148.05310	0.3
149.00919	0.7
151.07664	3.0
151.11301	0.4
159.40250	0.2
160.08873	0.7
161.02429	0.9
161.04561	0.7
161.09740	2.1
163.07657	0.8
173.06088	0.8
175.11351	0.4
177.09224	0.7
179.03474	1.2
179.10777	3.7
185.09737	0.3
187.07654	3.6
188.08429	13.3
189.08748	1.1
202.10002	0.6
203.10776	100.0
204.11102	7.0
205.05029	0.2
213.06963	0.2
221.11818	3.1
222.12225	0.4
293.03009	0.4
297.06616	0.4
324.05783	0.2
383.16852	1.3
383.21085	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10555	0.5
51.62596	0.5
53.66037	0.6
57.03449	4.2
59.01382	15.9
59.34130	0.6
61.30382	0.5
61.98824	1.1
65.31288	0.6
69.03465	3.7
70.82597	0.7
71.05006	2.0
72.99310	0.8
79.19804	0.6
80.36655	0.8
84.99329	1.1
86.01654	0.6
87.00871	16.9
98.03721	0.7
99.04513	9.7
103.00383	7.3
107.09798	0.7
112.98810	16.7
130.99869	2.2
133.33195	0.6
145.73824	0.8
168.07689	0.7
181.12393	0.8
251.16513	100.0
252.16872	9.2
271.17712	0.6
383.17175	6.3
384.17401	0.9
396.76230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06744	0.5
54.45114	0.5
55.58831	0.4
59.01377	4.9
59.06181	0.4
74.66445	0.5
80.83719	0.4
96.69896	0.5
205.12393	1.1
301.21729	100.0
302.22061	9.7
311.42874	0.5
346.82169	0.5
350.47620	0.4
383.07104	1.6
383.22028	44.1
384.22272	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	383.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01121	0.5
59.01380	3.7
60.07141	0.5
66.54482	0.5
69.62177	2.0
69.62536	0.9
91.10653	0.5
193.10236	0.6
201.68512	0.5
301.21732	100.0
302.22040	11.1
383.22031	43.6
384.22330	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	383.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11073	3.5
59.01358	6.2
61.54254	3.1
70.23129	4.9
163.09985	6.5
163.11288	74.2
164.11578	5.2
198.34703	4.5
248.20329	3.5
301.21683	100.0
302.22147	11.7
321.22278	6.0
325.18393	10.7
339.23199	16.0
340.23587	7.3
383.21854	42.5
383.26028	30.4
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
56.05864	0.6
57.03442	0.7
59.01365	2.0
61.98836	1.2
67.09798	0.5
69.03487	0.7
69.38834	2.9
70.96957	0.6
71.01362	0.6
79.69501	0.5
88.66024	0.5
89.02447	0.7
91.03992	1.3
91.37914	0.6
97.06597	1.0
114.47756	0.5
125.09740	3.8
127.11333	1.2
135.08215	0.6
137.09732	1.8
139.11229	0.6
141.09262	1.1
153.09233	1.1
155.10698	0.9
163.11264	1.0
163.82825	0.7
164.11713	0.6
171.10306	3.7
178.83180	0.6
185.11888	1.4
199.09795	3.9
200.10568	3.2
201.11334	4.1
201.81808	0.5
206.15446	0.7
213.11371	1.1
215.18182	0.6
218.96094	0.5
245.18999	0.6
247.20599	3.9
273.18625	1.0
274.14413	0.5
281.21378	0.8
291.19653	15.4
292.19855	1.5
309.20715	100.0
310.21097	8.5
314.06015	0.8
329.02811	0.6
347.15460	1.4
383.13306	1.4
383.19022	0.6
383.24362	2.0
403.95810	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.244
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
61.98822	2.3
69.31369	1.4
69.31770	3.9
69.54644	0.9
73.02926	1.1
84.29980	0.9
91.04002	1.8
97.06599	1.1
102.47971	1.0
125.09696	2.9
127.11255	1.4
131.08307	1.1
137.09798	1.4
141.09221	2.4
155.10831	1.0
171.10344	4.8
191.37639	1.1
199.09744	4.0
200.10596	4.6
201.11385	4.5
247.20732	3.3
263.20215	1.2
291.19675	12.9
309.20721	100.0
310.21045	9.0
383.24274	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	383.255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	1.5
61.98827	100.0
70.39322	1.7
70.99475	2.0
128.12515	2.0
241.87460	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	384.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	4.8
59.01374	2.2
61.23499	1.0
61.98569	0.8
61.98828	7.6
69.37304	2.9
69.37714	1.6
78.95905	8.0
95.33115	0.9
97.06584	10.8
123.08149	5.5
125.09730	100.0
126.10062	2.6
136.08051	0.9
140.01155	2.2
143.10735	1.1
152.99609	1.0
169.08733	2.9
187.09761	89.9
188.10016	4.6
196.03687	1.9
214.04933	2.7
291.03506	0.9
384.14304	42.5
385.14655	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	384.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.0
61.98831	100.0
63.02340	1.0
69.60281	3.6
102.05602	5.5
128.73442	1.1
139.81067	1.0
216.77142	1.1
293.21207	1.5
306.90753	1.0
350.98026	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68254	0.6
52.33073	0.6
59.01407	0.6
61.98832	0.9
63.56516	0.6
69.03449	1.1
79.05285	0.7
80.33310	0.7
111.87566	0.7
152.75545	0.6
263.06635	0.7
319.22845	4.0
331.19601	0.8
341.20996	2.1
384.21582	100.0
385.21902	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	384.2152
Annotation	Propioxatin B
Peak:m/z	Relative Intensity
52.19782	0.5
52.65635	0.5
68.10902	0.6
69.54189	1.6
71.56762	0.6
75.66823	0.5
81.99094	0.6
84.78043	0.5
91.65096	0.5
131.19585	0.5
132.37602	0.6
143.16791	0.5
195.58000	0.5
223.31131	0.6
301.21722	2.0
302.21707	0.6
311.22232	2.6
319.22696	3.7
341.20993	2.2
384.21548	100.0
385.21927	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	384.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56048	4.1
55.12741	4.4
59.01367	3.9
59.70000	4.0
61.98817	19.5
63.73656	3.9
65.57648	5.2
69.59704	10.1
69.60097	8.9
70.37420	4.2
88.23341	4.4
89.03983	23.4
115.05539	10.2
117.35101	4.5
129.52721	4.2
157.05305	14.9
158.06113	21.8
169.66985	4.3
311.21957	6.2
341.22327	100.0
342.22623	14.9
361.63077	4.9
384.21469	85.6
385.21719	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	384.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24293	1.1
54.21938	1.2
59.01381	100.0
60.01714	1.3
61.98817	1.2
63.08744	1.1
70.66405	1.1
70.67144	1.1
71.15485	1.6
151.65347	1.3
152.75212	1.1
156.56674	1.2
159.56706	1.2
162.92825	1.1
168.72382	1.4
183.38388	1.1
192.46408	1.1
301.21722	3.3
302.22070	14.4
310.02484	1.3
384.22400	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	384.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46514	0.6
65.71646	0.6
69.28249	0.6
70.21680	1.1
80.02204	0.5
85.02951	100.0
86.03291	2.6
98.22604	0.9
111.00866	3.5
129.01945	77.1
130.02286	2.5
166.97495	1.9
173.00911	23.3
210.96521	2.3
396.50797	0.6
403.70425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
62.28352	0.8
67.01889	1.3
70.70668	1.2
71.01379	2.6
83.75284	0.8
85.02949	100.0
86.03297	2.7
89.02438	1.1
90.97145	2.4
96.95998	1.2
101.02445	1.1
111.00883	19.6
124.21246	0.9
129.01941	75.4
130.02319	1.9
131.60579	0.9
156.79616	1.0
156.98152	1.7
158.99757	21.5
159.01015	1.8
160.07678	2.1
166.97768	4.0
173.00917	26.4
174.01172	1.0
174.49013	0.9
184.97681	39.4
185.97963	1.5
206.99741	11.7
207.99991	1.2
210.96582	7.9
223.08275	1.2
225.00989	1.9
227.02388	8.5
228.96628	11.9
234.99263	4.9
236.97107	0.9
253.00317	12.0
278.98242	22.0
296.99283	11.4
297.99692	1.5
322.97064	2.8
325.11157	0.9
328.45068	0.9
340.98169	5.3
384.97144	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	385.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31389	0.5
55.00783	0.4
56.48174	0.4
59.01368	0.9
60.09081	0.4
61.98802	0.5
70.21101	0.4
70.21414	0.9
71.91293	0.4
73.74679	0.4
74.93714	0.5
91.01852	0.5
92.80083	0.4
93.03465	1.6
110.29395	0.4
110.69009	0.4
121.02972	5.6
126.67252	0.4
135.04497	2.8
137.02390	0.5
149.02451	31.9
150.02844	0.9
150.06836	0.5
151.07584	0.6
152.01167	2.9
162.06851	0.8
163.04013	4.5
163.07588	1.2
164.04797	34.4
165.01929	1.6
165.05128	2.1
169.05058	1.8
179.07123	10.2
180.07838	1.7
181.08693	2.2
193.01416	13.4
194.01770	0.7
208.03775	37.5
209.04185	1.7
223.06114	100.0
224.06496	5.1
382.98972	0.4
385.11548	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	385.114
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
59.01380	0.7
61.98777	0.4
63.81240	0.4
63.98572	0.4
69.29887	2.2
74.16167	0.4
89.02435	0.7
93.03451	1.0
121.02959	5.4
130.41389	0.4
135.04501	2.4
149.02443	34.7
150.02806	1.3
152.01161	3.6
163.04015	5.3
164.04793	40.5
165.01889	1.6
165.05130	1.8
167.03517	0.7
169.05060	1.0
179.07132	10.7
180.07404	0.5
193.01408	16.5
194.01816	0.9
208.03767	40.5
209.04132	2.2
223.06114	100.0
224.06444	5.8
233.04640	0.5
265.07294	0.7
311.62628	0.4
334.33176	0.6
359.92300	0.5
385.11496	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
51.81041	0.4
53.74872	0.4
69.72958	1.6
86.36240	0.4
93.03479	1.2
121.02947	8.8
134.03716	0.6
135.04529	2.3
149.02440	78.6
150.02792	3.0
152.01118	1.2
163.03998	3.1
164.04791	77.7
165.01953	0.6
165.05092	3.9
167.43880	0.5
169.05074	0.8
179.07133	25.2
180.07454	1.1
193.01396	7.8
193.03122	0.6
201.06593	0.5
208.03767	24.6
209.04091	1.3
223.06108	100.0
224.06415	4.8
255.03777	0.5
265.07214	1.4
306.86014	0.5
326.68048	0.6
336.22403	0.5
385.11209	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61272	0.4
59.01384	0.8
59.63974	0.3
69.20852	1.3
69.21250	1.0
93.03465	1.0
99.00881	0.4
109.03004	0.5
117.90613	0.3
121.02953	8.3
121.03835	0.4
134.03737	0.5
135.04538	1.7
143.46432	0.4
149.02441	71.3
150.02779	3.0
151.04034	0.4
152.01126	2.2
161.02448	0.5
163.04021	3.0
164.04794	71.9
165.01898	0.9
165.05122	2.5
169.05078	0.8
179.07138	22.8
180.07465	1.0
193.01421	8.8
208.03767	23.0
209.04173	1.0
223.06108	100.0
224.06467	6.4
243.75095	0.3
265.07147	0.9
385.10849	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15554	1.6
54.31648	1.5
55.01876	3.8
57.03933	1.3
59.01383	18.9
59.30788	1.4
61.28698	1.3
61.98822	2.8
66.77077	1.3
69.03458	100.0
70.03777	1.8
71.01370	6.8
72.99302	3.4
79.01875	3.5
85.02949	4.1
89.02444	5.0
95.01409	2.2
97.02950	21.1
99.00874	26.8
108.32786	1.5
113.02451	7.5
126.46432	1.5
135.11798	2.6
141.01964	7.9
155.10782	4.1
159.11806	4.7
161.09731	5.2
179.10754	19.4
185.00912	73.0
186.01163	2.7
199.09724	2.0
203.10828	8.1
221.11761	2.4
223.04315	2.3
223.09734	9.3
265.10922	1.8
309.08554	1.9
385.11273	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32369	0.6
55.60414	0.7
57.28275	0.6
57.40740	0.6
59.01378	31.2
59.17685	0.6
70.85771	1.0
71.01381	14.4
83.01370	1.0
85.02948	4.1
89.02448	11.4
95.01379	1.2
101.02457	4.7
102.37823	0.6
103.77126	0.7
113.02462	6.3
119.03498	3.1
120.05845	0.7
133.10248	2.2
135.11800	13.5
143.03516	1.0
159.11746	2.0
161.04588	0.8
161.09732	9.7
166.05627	0.6
177.12901	1.2
179.10773	100.0
180.11110	6.0
203.10788	1.9
221.11823	1.6
223.09747	78.8
224.10051	6.4
246.28792	0.7
265.10809	1.2
385.14902	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81324	0.4
54.85651	0.4
57.16043	0.4
58.52998	0.4
59.01380	100.0
60.01712	1.3
61.98862	0.5
69.13363	1.4
69.13772	1.2
71.01386	0.6
73.02950	1.0
101.02447	0.8
113.02501	0.5
135.04591	0.5
151.04065	0.5
161.02466	1.8
176.04793	1.1
179.03581	2.5
179.04968	0.4
191.07179	2.8
194.05923	0.7
252.72256	0.6
288.60028	0.5
347.17212	0.5
385.22430	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.169
Annotation	(-)-Fiscalin B
Peak:m/z	Relative Intensity
59.01365	0.4
61.98827	1.2
66.15411	0.4
68.37920	0.4
69.65325	1.2
74.13496	0.4
79.95727	1.9
96.96010	92.8
97.95933	0.6
98.78603	0.4
128.67766	0.4
136.72127	0.4
150.54129	0.4
155.98033	0.4
222.72064	0.4
275.20230	0.4
297.07828	0.4
349.20197	3.8
355.08279	0.6
370.10492	0.7
385.16904	100.0
386.17197	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	385.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61929	3.7
57.03437	9.1
59.01364	9.1
61.98832	37.8
69.07993	13.1
69.08414	13.8
75.00887	4.1
79.52000	3.1
85.02986	3.9
87.04498	5.4
91.03986	5.3
95.56667	3.8
113.09737	13.8
125.09742	10.6
127.11285	8.8
141.09207	5.5
156.89113	3.7
165.09206	6.0
171.10287	9.9
193.08392	6.1
199.09679	4.2
201.11333	71.0
202.11644	5.7
213.11319	35.6
223.09509	54.2
223.16959	17.2
235.09560	22.1
241.09285	5.3
249.11044	9.0
259.05988	7.7
263.20068	10.5
291.19684	6.9
293.20996	5.4
301.69833	5.1
304.80075	4.6
309.20621	12.5
311.22324	33.4
327.21774	100.0
328.22253	9.1
331.18832	44.5
349.19974	22.1
385.13220	4.0
385.17648	86.1
386.17923	8.2
409.61206	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	385.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	20.3
61.98819	44.6
69.94025	41.7
69.94362	14.5
83.05025	31.4
84.38113	15.4
102.24968	13.7
111.04524	44.9
135.04517	48.3
153.33989	15.9
161.02425	16.5
179.03464	25.3
207.98959	14.1
219.02834	15.8
293.03171	23.5
331.19028	100.0
332.19186	14.6
340.52151	15.8
355.79907	14.8
377.40677	15.9
385.17767	33.8
391.26346	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55769	12.8
59.01368	19.6
61.98853	29.1
65.97401	11.4
74.33295	12.1
121.02975	100.0
127.93244	13.1
136.64845	11.8
141.56998	12.6
164.12372	13.7
181.39218	12.6
279.07294	11.6
313.07291	25.5
321.91083	12.7
385.09122	25.8
385.17593	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	385.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.3
57.03447	2.5
58.00589	1.1
59.01378	61.4
60.01712	0.8
63.30075	0.3
69.03457	0.7
69.31245	1.6
71.01382	56.6
72.01723	0.8
72.99305	1.1
73.02946	11.6
75.00878	0.7
78.46124	0.3
81.03445	0.6
83.01389	3.8
83.05045	0.4
85.02950	19.6
86.03315	0.4
87.00878	1.6
89.02444	28.8
90.02802	0.4
95.01382	4.3
95.05020	1.5
97.02947	5.0
97.06558	0.3
98.21864	0.6
99.00888	3.6
101.02442	30.5
102.02766	0.8
105.07137	1.7
107.05061	0.5
108.05816	2.5
109.02982	0.5
109.06582	1.6
111.04526	0.8
111.08154	0.6
113.02452	24.7
113.06083	2.4
114.02797	0.9
119.03506	9.5
121.06608	0.5
122.03735	1.2
122.85232	0.3
122.87519	0.3
123.08192	2.6
125.02467	0.9
125.06086	6.4
129.01952	0.6
131.03491	0.9
135.08217	0.5
136.05295	2.7
137.06104	1.7
138.06870	20.4
139.07672	8.2
143.03522	2.3
147.08119	0.6
149.04581	0.6
149.06062	1.0
151.07648	18.8
152.04866	2.4
152.08432	37.1
153.09210	100.0
154.09564	5.0
159.02980	3.7
160.25990	0.3
161.04552	17.9
161.09726	0.4
162.04909	0.7
163.11324	1.9
164.04785	0.4
165.09219	2.1
166.38403	0.3
167.07123	1.8
179.05627	2.7
187.11282	0.9
189.09235	1.0
190.10046	1.6
205.12326	30.6
206.12665	1.7
223.06068	0.5
223.13380	17.1
224.13689	0.7
385.18680	7.8
386.18912	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.0
57.03457	2.2
58.00596	1.6
59.01379	100.0
60.01724	0.7
61.98829	1.1
69.03452	0.9
69.42458	0.6
69.42873	1.3
71.01382	57.7
71.94571	0.3
72.01723	0.7
72.99303	1.7
73.02947	4.3
81.03465	0.3
83.01385	2.5
84.02151	0.4
85.02953	11.4
87.00888	2.3
89.02445	72.5
90.02780	1.3
95.01387	3.1
97.02942	1.3
97.56544	0.3
99.00883	1.3
101.02448	34.6
102.02809	0.5
105.10307	0.4
107.05016	0.7
109.96617	0.3
113.02457	22.5
114.02749	0.4
119.03506	30.5
120.03848	0.5
123.08170	1.9
125.02434	0.6
125.09670	0.9
129.01994	0.4
131.03519	3.1
131.78484	0.3
135.08139	1.1
143.03490	5.5
146.56940	0.3
147.08145	1.7
149.04579	2.3
153.08037	0.6
153.09216	10.7
154.09525	0.6
159.02995	0.6
161.04555	6.3
163.11365	0.4
165.09102	0.5
171.10252	0.5
179.05608	13.5
180.05887	0.5
187.11298	2.4
189.09146	0.7
190.10013	0.8
205.12343	11.6
206.12604	0.9
208.93709	0.4
223.13315	1.3
259.85312	0.4
385.18704	4.9
386.18488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02003	0.4
59.01375	0.4
61.98831	100.0
63.81494	0.3
69.07884	2.5
73.17551	0.3
75.97413	0.3
76.15048	0.3
92.70352	0.3
128.10820	0.4
130.08749	4.0
187.62488	0.4
239.80859	0.4
276.75812	0.4
322.20349	2.1
385.16708	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02870	1.6
59.01383	4.7
61.98804	4.0
69.75599	7.6
70.42383	2.1
71.83723	1.8
77.23437	1.5
80.28613	2.0
82.83746	1.9
83.05026	73.2
84.05333	2.9
98.21877	1.8
119.21140	1.9
137.27010	1.8
140.53419	1.9
259.20651	7.7
291.19568	2.3
303.19647	100.0
304.20114	10.8
309.20691	6.4
325.17825	11.9
326.17996	2.5
340.78802	2.1
385.12634	2.5
385.19876	35.8
386.20126	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	385.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	3.7
69.09846	1.4
69.10251	4.2
83.05025	100.0
84.05379	2.0
120.62969	0.8
205.12306	1.0
259.20697	2.4
273.22192	2.6
303.19647	97.4
304.19925	7.6
317.21115	6.4
318.21725	1.0
339.19272	2.3
385.19949	33.0
386.20007	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	385.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.3
61.98831	17.8
63.52544	6.7
64.07330	6.6
69.48258	30.3
91.65765	7.2
98.21935	12.2
114.03972	8.0
145.33360	6.8
226.64461	7.7
301.06192	7.3
311.22232	100.0
331.18985	17.4
386.22815	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	385.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	42.1
70.47808	100.0
167.14783	44.9
184.68272	53.1
243.80121	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2234
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.02244	1.7
53.04029	1.8
59.01372	7.1
61.98830	16.5
69.72095	6.3
74.84790	1.8
83.28732	1.6
91.04002	3.3
122.03780	2.1
157.51031	2.3
167.14397	4.0
223.20706	2.5
249.18582	8.3
267.19650	100.0
268.20016	7.0
275.16544	15.8
293.17599	73.4
294.17953	6.7
311.18817	14.7
311.22061	4.4
336.42801	2.1
349.20090	6.9
367.21106	8.9
385.22308	67.4
386.22708	7.6
400.06995	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92311	0.3
57.03429	0.5
59.01365	1.4
61.98832	0.6
67.24420	0.2
67.70774	0.2
68.45605	0.2
69.34086	0.9
89.02426	0.4
91.04013	1.1
97.06587	0.8
98.21710	0.2
100.80912	0.3
117.92805	0.3
123.08163	0.6
125.06110	0.3
125.09727	3.5
131.08279	3.0
139.11281	0.7
141.09241	1.9
141.12860	0.8
143.10814	0.3
151.07590	0.3
153.09212	1.6
155.14424	1.7
157.12375	0.7
169.08733	0.4
170.13197	0.4
171.10344	1.6
173.09341	0.5
173.95042	0.3
181.15930	0.5
183.13905	0.4
185.11870	0.4
199.09720	0.5
200.10519	3.5
237.22411	0.3
239.23738	0.5
249.22198	2.4
265.21747	1.2
267.23267	1.1
275.20154	0.9
283.23007	0.6
293.21246	10.2
294.21561	1.0
311.22275	100.0
312.22610	9.1
331.19153	0.8
333.04254	0.3
385.25894	1.4
385.30728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.5
59.01371	1.7
61.98819	1.2
69.78418	1.2
69.78764	0.9
70.68269	0.5
81.74263	0.5
89.02422	0.5
91.04014	1.4
97.06605	1.2
98.22591	0.6
99.87791	0.4
114.58440	0.5
123.08151	0.6
125.06126	0.6
125.09743	3.5
127.01760	0.4
131.08267	2.8
138.95772	0.5
139.11284	1.1
141.09209	1.4
141.12862	1.2
153.09219	2.0
155.14363	1.6
157.12323	0.6
171.10286	1.9
171.13881	0.7
173.09270	1.1
185.11801	0.5
199.09702	0.8
200.10558	3.2
201.11270	0.5
204.21869	0.5
249.22195	2.6
261.78928	0.4
265.21735	1.0
267.23273	1.3
269.00067	0.5
275.20224	1.2
282.13901	0.4
283.22809	0.5
293.21231	11.3
294.21561	0.8
302.70078	0.5
309.20706	0.7
311.22278	100.0
312.22583	9.0
331.18976	3.0
349.20239	0.6
385.21848	13.8
385.26038	1.7
385.30350	1.0
386.22385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10849	5.7
61.98830	100.0
64.39719	6.8
69.81905	17.3
69.82257	8.4
105.93797	5.7
229.14526	10.5
385.29562	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	385.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	72.1
69.90041	100.0
95.95275	27.1
98.22569	54.0
102.77071	29.7
129.30962	25.0
139.14235	28.8
163.47893	30.1
171.83177	32.1
179.56097	34.8
201.40257	30.6
209.01340	29.2
223.21841	29.7
325.18390	78.7
342.30280	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53684	0.4
53.01545	0.4
58.02973	3.7
59.01387	0.8
60.93823	0.4
61.98837	1.6
69.26466	1.9
83.06142	1.5
85.07690	0.6
91.91444	0.4
112.07684	0.9
129.10345	5.3
131.08272	100.0
132.08701	2.2
166.94707	0.4
173.09326	22.3
174.09642	0.8
185.37538	0.4
226.82936	0.5
276.26361	0.5
293.21130	0.9
311.22369	2.5
323.30786	0.6
331.19083	1.2
338.50455	0.5
385.26187	2.0
385.30695	30.8
386.31137	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	386.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.3
60.40877	1.1
61.98834	100.0
85.71186	1.2
91.15897	1.3
112.70329	1.4
211.84793	1.1
211.92059	1.1
275.81116	1.4
305.17599	1.4
368.09915	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	8.8
61.98833	100.0
67.61665	3.2
72.53213	2.7
93.74206	2.5
101.67236	3.3
109.72678	3.4
146.04037	7.2
162.83926	3.4
165.50392	2.9
182.79646	2.9
386.21188	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	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.9
61.98829	100.0
62.81887	1.0
70.82919	1.8
71.05027	1.1
77.25118	1.1
121.66903	1.2
139.96269	1.3
157.97804	1.4
294.19785	1.2
351.21695	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	386.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
61.98831	100.0
69.34232	1.1
77.96638	1.3
85.65556	1.1
108.64940	1.1
114.31565	1.0
157.15630	1.1
193.77861	1.1
245.77377	0.9
340.98923	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.106
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59101	0.5
58.71606	0.5
59.01368	2.3
59.27372	0.4
66.00962	0.6
66.17162	0.4
67.27965	0.4
70.96757	0.6
75.31617	0.4
77.11275	0.5
78.03496	2.4
92.31184	0.5
107.03654	1.4
108.02054	2.4
121.05211	0.6
122.02485	100.0
123.02834	3.1
126.03094	1.4
133.01561	9.4
134.03600	4.5
138.70753	0.5
149.03448	1.1
150.04211	19.2
162.03119	0.8
164.05791	11.1
178.06244	0.8
192.05292	19.9
196.11012	0.4
204.05301	4.9
218.06924	0.7
220.04779	1.0
228.05273	1.7
246.06372	2.9
264.07278	3.9
287.58878	0.5
387.10602	11.8
388.10733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	67.3
70.28269	5.8
70.28594	6.7
71.01378	38.1
72.79035	4.3
72.99311	5.0
76.73172	3.9
78.95903	20.5
85.02934	29.6
87.00858	10.6
88.98810	17.7
89.02447	56.2
90.93563	3.8
92.92793	16.9
96.96967	10.0
101.02448	20.8
108.90211	23.2
110.89925	10.6
111.00867	18.4
113.02426	12.8
116.97217	6.1
117.25236	4.1
119.03475	18.7
127.14201	4.5
129.01953	5.1
145.55661	4.5
161.04468	5.5
162.92078	4.8
173.54916	4.6
179.05652	24.7
191.02003	10.3
258.37650	4.0
261.02280	5.5
310.05637	4.2
341.06937	8.7
341.10834	100.0
342.11127	7.1
342.85962	5.4
360.17874	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	387.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01602	0.9
59.01379	44.5
69.37378	2.1
69.37747	3.8
71.01379	18.2
83.01386	1.7
85.02941	3.0
89.01925	1.8
89.02446	21.5
95.01398	1.6
100.74010	0.9
101.02439	11.4
113.02447	8.2
119.03508	9.1
149.02399	2.7
165.05556	1.1
165.32008	1.1
177.01927	30.7
178.02507	1.6
179.05650	1.7
188.69231	1.0
192.04283	47.5
193.04829	2.7
207.06627	100.0
208.06941	5.2
225.07780	5.2
239.05392	1.2
259.04605	1.3
259.66638	1.0
291.74780	1.0
358.45053	1.1
387.16724	1.4
387.21332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61438	0.7
59.01381	52.9
61.98814	2.9
64.53628	0.7
71.01386	22.1
71.15362	1.3
74.02460	1.8
78.91893	1.2
83.01382	1.4
85.02970	4.1
89.02448	23.7
89.03008	1.4
95.01353	1.2
95.05018	0.8
101.02452	14.3
101.81094	0.6
113.02448	8.2
119.03505	10.2
121.02952	1.4
121.12523	0.8
123.34145	0.8
129.06691	2.5
130.94661	0.8
149.02457	3.8
149.04529	0.7
165.05623	1.7
177.01939	35.9
178.02461	1.5
179.05585	1.0
185.48633	0.7
191.03516	1.1
192.04286	55.5
193.04924	3.6
207.06619	100.0
208.06992	6.1
225.07654	7.9
239.05739	1.0
254.61029	0.9
300.21140	0.9
348.52457	0.7
357.17844	2.5
387.16550	2.3
388.00500	1.2
400.46976	0.8
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	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01382	70.0
60.01697	1.0
61.94336	0.6
70.39504	1.6
71.01019	1.1
71.01385	15.0
72.99262	0.9
73.02972	0.7
85.02948	3.9
89.02451	13.7
95.01360	0.8
101.02445	9.4
113.02444	5.7
118.98093	0.7
119.03486	5.5
139.97043	0.6
143.03474	0.8
157.98045	0.7
163.11285	5.4
179.08784	0.6
207.10258	10.5
223.06021	1.4
225.06598	0.9
325.54108	0.8
369.15222	0.7
387.16608	100.0
388.16980	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	387.1661
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.55888	0.7
59.01380	9.8
70.03039	2.0
71.01382	4.3
73.02943	9.6
85.02950	2.0
89.02432	2.3
95.01404	0.9
95.05016	1.4
97.66547	0.6
101.02433	2.1
101.11021	0.6
109.06541	0.8
113.02435	3.2
119.03508	1.1
121.06605	1.0
129.37598	0.7
147.04539	3.1
161.04579	0.8
161.09688	1.0
163.11302	8.3
164.07164	7.1
164.11700	0.7
170.01007	0.6
181.12347	66.7
182.12685	4.5
193.05128	1.1
207.10251	2.3
212.83937	0.7
223.13486	0.9
225.11322	100.0
226.11664	5.7
249.11298	2.6
255.16000	0.9
267.12393	1.9
327.14493	0.9
340.02103	1.0
351.18155	0.8
387.16220	1.9
387.24045	1.8
388.17587	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	387.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86893	0.7
59.01380	5.0
61.98832	16.2
69.63239	1.7
70.91485	0.7
79.95743	1.4
80.00692	0.8
94.59165	0.9
96.96011	73.8
104.12869	0.8
138.63667	1.0
148.02440	1.0
148.16391	0.8
171.10284	1.2
217.10899	1.6
244.48207	0.9
311.54324	0.8
318.24579	0.9
387.18481	100.0
388.18774	8.9
413.57074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46034	0.2
59.01369	0.6
61.98830	0.9
70.44136	0.4
70.44476	0.3
74.33897	0.2
75.40891	0.3
79.49981	0.2
79.95756	1.4
85.66755	0.2
96.96013	74.5
97.95916	0.5
98.22601	0.2
112.12783	0.2
146.42795	0.3
248.73729	0.3
309.46661	0.3
351.17960	0.3
351.21814	0.7
387.18481	100.0
388.18811	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	387.194
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97547	3.7
54.94824	3.7
59.01369	13.2
60.26047	3.9
61.98829	91.7
68.28033	3.8
85.02939	7.2
99.08176	5.7
115.80202	3.8
115.99579	3.8
127.07674	8.2
146.08200	10.7
171.10315	8.4
182.00029	4.3
211.13359	15.6
229.14363	10.4
233.11644	13.0
277.12277	11.1
327.21753	4.4
329.23212	32.8
349.20285	4.2
351.21704	100.0
352.22040	11.8
387.19217	87.2
388.19638	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	387.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.4
57.03445	2.7
58.00592	1.4
59.01380	100.0
60.01703	1.0
61.98838	0.4
68.99809	0.4
69.03484	0.4
71.01382	62.6
72.99326	1.9
73.02947	8.6
74.02469	0.4
75.00848	0.5
75.15144	0.3
81.03466	0.4
83.01389	5.1
84.02145	0.5
85.02954	19.0
86.03309	0.4
87.00871	3.6
89.02447	58.9
90.02782	0.6
94.92922	0.4
95.01385	4.6
96.96008	1.7
96.96960	0.9
97.02935	1.0
99.00874	3.0
101.02445	43.9
102.02812	1.0
111.00900	0.8
113.02452	27.8
114.02761	0.5
114.73021	0.3
119.03505	27.1
120.03825	0.6
123.04501	0.3
125.02448	1.7
129.01884	0.4
131.03497	2.5
135.04524	1.1
136.05304	0.7
137.02458	0.6
138.06842	0.8
143.03523	4.5
149.04570	1.5
151.04057	0.6
151.07680	0.9
152.08435	6.9
153.09248	2.1
155.10803	0.6
159.02994	2.6
161.02448	0.9
161.04558	14.1
162.78560	0.3
163.02711	0.5
163.11308	1.2
179.03975	0.7
179.05602	6.7
180.06023	0.4
188.10307	0.3
207.10229	1.2
207.13828	0.7
210.12686	1.1
225.14978	5.2
249.00851	0.5
357.06094	0.5
357.21497	0.5
372.17969	1.2
387.20374	57.3
388.20663	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	387.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.1
57.03451	2.0
58.00600	1.7
58.26677	0.3
59.01382	100.0
60.01715	1.1
61.98854	0.7
69.03451	0.4
70.95798	0.4
70.96145	0.4
71.01384	67.6
72.01733	1.2
72.99312	2.1
73.02950	8.4
74.99114	1.3
75.00876	0.5
83.01392	3.9
84.02193	0.4
85.02954	16.6
86.03291	0.6
87.00890	3.0
89.02448	64.6
90.02795	1.0
95.01398	4.6
97.02969	0.7
99.00883	2.7
101.02448	39.5
102.02789	0.4
110.84193	0.4
111.00843	0.3
113.02455	28.1
114.02748	0.8
118.98100	7.9
119.03510	26.9
120.03845	0.8
125.02465	0.9
127.90312	0.3
131.03506	2.3
137.09720	0.6
143.03514	4.9
146.50583	0.4
147.11769	0.5
149.04547	2.5
149.09702	0.3
153.09224	0.4
159.03008	2.8
161.04562	17.1
163.11269	0.5
165.05548	0.3
165.09267	0.4
173.09712	3.2
174.10446	0.4
176.09435	0.3
179.05615	6.5
189.12860	24.8
190.13211	1.7
206.53732	0.3
207.06593	0.4
207.13902	7.9
225.14857	0.7
387.20267	8.2
388.20407	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2028
Annotation	Sedumoside H
Peak:m/z	Relative Intensity
51.37281	1.0
55.01866	3.1
57.03436	2.8
59.01380	22.0
61.98809	4.8
62.56215	0.9
62.86825	0.8
63.72453	0.8
71.01382	17.4
73.02950	8.6
83.01388	5.8
85.02956	12.4
86.00108	1.4
87.00826	1.3
89.02454	3.3
99.00869	2.5
99.04523	1.1
101.02442	16.7
109.82082	0.9
113.02458	6.1
122.17456	1.1
122.25577	1.1
141.01927	1.0
186.99265	1.0
225.14902	3.5
351.21713	1.8
387.20233	100.0
388.20636	10.9
411.46402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94854	16.0
59.01378	49.8
61.98817	24.7
69.26918	100.0
69.50551	18.1
87.00961	18.6
123.04526	20.3
141.01654	31.7
193.37633	18.1
302.24860	19.1
315.15701	22.7
319.18945	29.8
387.25342	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	100.0
60.89841	38.7
61.98832	64.7
70.80686	52.1
141.01701	59.7
179.98158	43.0
224.49518	40.1
255.46227	38.9
342.18930	43.1
368.16718	41.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.4
61.98830	100.0
70.62813	2.8
79.95746	1.5
83.04997	1.2
90.18222	1.2
96.95998	5.5
156.57401	1.2
160.84566	1.2
387.96826	3.0
389.16519	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
60.01705	8.6
66.03885	7.1
68.81997	7.0
71.01385	34.9
87.00910	8.2
89.02452	31.6
96.96027	9.2
101.02432	29.4
112.98741	7.2
113.02459	15.1
116.92879	29.0
119.03527	9.3
127.21210	6.4
133.02937	7.6
133.72806	6.9
135.04436	11.3
149.00934	9.1
152.88586	7.6
153.16426	6.6
155.89276	7.0
161.02428	17.3
179.03493	11.0
183.10283	55.0
232.79028	8.3
270.78754	8.2
333.88632	6.9
361.76105	8.8
389.18069	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1695
Annotation	ZM 336372
Peak:m/z	Relative Intensity
50.04916	0.5
57.03464	0.6
59.01380	66.7
60.01720	8.2
61.01784	0.7
61.98820	1.4
69.47928	1.3
70.15922	0.5
71.01383	13.5
72.01713	2.4
73.02960	0.8
78.28910	0.5
79.54451	0.7
83.01393	1.3
85.02943	2.9
86.03281	0.6
89.02444	13.2
90.02771	1.8
101.02446	9.0
102.02779	2.2
104.78660	0.6
109.06631	0.5
113.02444	3.8
114.02759	1.0
119.03521	4.3
120.03826	0.7
131.29163	0.6
137.48946	0.6
138.21436	0.5
144.96562	0.5
149.02490	0.8
150.02855	0.8
163.11278	1.9
163.74612	0.6
164.04778	0.5
164.11591	3.4
165.05411	0.8
165.83949	0.5
166.05325	0.7
207.10333	4.3
208.10579	8.1
210.04353	0.6
223.06154	0.8
224.06444	1.6
225.06639	1.6
226.06935	1.8
237.39897	0.5
265.74924	0.6
279.46753	0.6
295.10776	1.0
327.44119	0.6
339.21912	0.6
357.10861	0.6
388.16937	100.0
389.17252	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	388.177
Annotation	Epistephamiersine
Peak:m/z	Relative Intensity
58.25873	0.6
59.01381	8.7
61.98814	1.6
71.01382	2.1
71.44970	0.8
72.00912	10.4
73.02936	2.5
85.35934	0.8
89.02457	0.8
91.05547	1.4
101.02466	1.1
103.05553	1.5
117.14743	0.8
118.06647	2.5
119.03515	0.9
124.04072	0.8
128.06299	0.9
135.04507	0.8
135.08134	1.4
143.08638	3.8
145.10268	0.7
147.04526	37.4
148.04852	1.4
161.04590	0.9
161.09805	4.3
162.16174	0.7
164.07164	100.0
165.05653	1.1
165.07500	4.2
178.08740	1.1
185.11765	1.1
190.05124	6.3
193.05090	1.2
204.10327	2.5
205.08685	3.9
223.09734	1.0
227.09563	1.9
256.16296	1.3
257.17633	1.0
261.49579	0.8
352.15485	3.2
370.16537	10.5
388.12390	1.6
388.17618	27.6
389.17859	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	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23464	1.2
61.98832	100.0
70.46799	2.1
80.01778	1.1
89.84383	1.3
98.22546	1.7
225.80385	1.2
245.56166	1.6
308.58615	1.2
325.20255	1.9
371.03177	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07697	1.5
59.01387	3.2
61.82821	1.5
61.98831	100.0
70.90331	2.8
71.50909	1.6
74.72888	1.5
96.96032	3.1
98.21851	1.6
102.83501	1.5
130.96216	1.7
354.43777	2.0
411.49741	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	388.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.68243	0.8
61.98829	100.0
62.54805	0.7
69.88362	1.8
69.88699	0.8
73.12189	0.9
73.14689	0.7
79.95743	0.8
96.96005	5.3
98.22614	1.1
137.18417	0.9
145.88358	0.8
156.10512	0.8
199.82944	0.8
296.20306	0.8
325.20135	12.5
389.16260	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	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06039	0.6
58.47271	0.6
61.20837	0.6
61.98829	100.0
63.03191	0.6
69.66953	1.1
69.67280	1.2
71.03686	0.6
78.95892	0.6
83.82903	0.6
96.95969	0.6
110.60244	0.7
130.41261	0.6
235.14716	0.7
330.85535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31195	1.5
58.18464	1.6
61.98829	100.0
69.65235	6.8
92.47095	1.8
153.77356	1.5
164.90411	1.5
205.66856	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	388.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07815	1.3
58.11176	1.3
61.98830	100.0
71.55051	1.4
72.16331	1.4
96.96030	7.5
99.76820	1.4
100.88348	1.6
130.22449	1.9
143.09502	1.4
146.36772	1.5
168.15408	1.4
246.55611	1.7
268.22775	1.4
380.29092	1.7
389.16354	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	389.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84087	2.8
54.90233	3.2
59.01363	14.2
61.98835	17.3
71.01374	5.1
89.02473	3.3
176.01164	47.4
191.03506	100.0
192.03795	5.5
198.06491	3.7
227.80507	3.8
245.01154	3.7
295.61920	3.3
390.17816	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	389.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26449	0.8
56.99789	0.7
59.01380	100.0
60.01701	1.0
71.01398	2.4
71.44830	0.7
72.79704	0.7
72.99334	1.2
73.02962	1.0
85.02959	2.2
87.00888	1.7
89.02452	1.1
101.02467	2.3
106.04273	0.8
107.05037	5.6
108.93336	0.6
111.00883	1.6
112.98828	1.1
113.02433	1.3
117.88128	0.7
133.02992	0.9
134.03790	1.4
135.04529	66.9
136.04910	3.1
145.06194	1.3
147.49612	0.8
149.00949	2.5
151.00368	0.9
153.01962	2.8
161.02489	2.3
161.04550	5.1
161.92410	0.9
167.07117	8.0
173.00914	0.8
179.03578	1.8
184.97073	0.7
190.17928	0.8
191.02121	1.2
216.99162	1.6
272.09106	1.4
297.09882	2.6
343.11563	0.7
389.14886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90759	0.6
59.01378	100.0
61.98825	2.2
70.65105	0.9
71.01392	2.7
85.03018	0.8
89.02447	1.1
101.02460	1.7
106.04266	0.8
107.05033	5.6
113.02438	1.4
114.26899	0.5
123.04536	1.4
135.04524	63.6
136.04900	3.3
153.05614	2.1
161.04549	4.8
167.07132	8.2
169.61134	0.6
189.79068	0.6
226.97945	0.8
297.09967	3.1
298.10123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12449	1.0
51.77211	1.2
59.01378	100.0
60.01713	1.8
61.98830	7.5
63.38046	1.2
71.01379	29.6
72.99301	1.6
78.35288	1.1
79.30772	1.0
85.02957	4.3
87.00867	2.6
89.02444	46.6
91.15990	1.3
95.01384	2.4
101.02437	19.8
113.02438	12.7
119.03504	20.6
126.44146	1.1
131.03458	2.3
134.03711	7.9
143.03523	4.5
148.01544	1.0
149.04559	2.0
149.06090	14.2
152.04805	1.5
155.07330	1.0
161.04578	3.7
164.93855	1.0
167.03447	1.2
167.07100	1.8
176.01144	21.6
177.01575	1.8
179.05588	6.7
186.05524	1.2
191.03496	31.4
192.03920	1.6
286.13885	1.4
328.51416	1.3
329.12402	19.1
330.12515	1.4
389.18570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76446	0.5
59.01377	16.9
62.24393	0.6
64.92525	0.6
71.01383	2.8
72.00938	1.3
72.99303	0.7
83.05016	0.9
85.06598	0.6
87.00890	6.8
89.02435	1.2
97.06609	0.8
101.02427	1.5
103.00354	2.1
112.98813	7.6
113.06084	5.9
113.09768	1.5
130.99850	0.8
134.03717	1.3
143.10779	6.2
146.08272	1.4
147.04523	3.4
148.04846	2.2
149.00906	1.5
150.03200	0.6
161.02541	0.7
161.09749	0.8
164.07169	8.3
165.05540	0.7
165.06203	0.6
165.07513	5.9
193.05042	0.6
195.17499	0.8
204.52287	0.6
226.84883	0.6
239.16588	0.8
240.53578	0.6
255.69519	0.6
257.17575	100.0
258.17935	8.2
258.20621	1.1
309.81146	0.6
354.19061	1.3
371.16824	1.7
389.17963	7.7
390.18335	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98845	3.0
71.01383	18.1
73.02955	14.1
75.59013	1.8
83.01383	3.0
84.83533	2.0
85.02972	5.8
89.02483	10.6
95.01399	2.4
101.02443	8.8
113.02453	15.0
114.59082	2.2
119.03512	5.3
119.04965	1.9
161.04607	5.1
165.26787	2.0
329.16046	4.0
389.18127	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	389.1818
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
51.13162	0.9
56.78040	0.8
57.03442	1.3
59.01380	60.4
61.98808	1.2
62.27321	0.8
68.47226	0.8
71.01384	21.9
71.44714	0.8
71.99548	0.8
72.99310	0.9
73.02951	5.8
83.01383	2.7
85.02955	5.8
89.02444	15.6
95.01375	1.2
101.02438	15.8
102.98579	0.9
109.03011	1.2
113.02441	7.6
116.92878	3.4
117.24865	0.9
119.03494	5.6
121.02945	1.3
130.23949	0.9
135.04587	1.7
147.11768	3.1
153.02202	0.8
160.94066	0.9
161.04514	0.8
209.11845	9.7
227.12903	1.8
329.16296	0.9
389.18140	100.0
390.18539	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	389.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	16.8
66.08185	4.5
66.19412	4.2
71.44313	4.9
78.91887	11.3
80.91692	6.4
107.08662	17.4
119.08612	5.0
122.19824	5.1
123.08176	5.1
124.49150	4.6
125.09708	10.0
135.33971	4.5
135.93599	3.8
137.09717	5.6
141.09244	5.2
199.09775	15.6
207.10017	12.3
209.07921	12.4
213.11325	5.3
222.08667	10.0
245.19135	12.9
289.18100	10.6
301.17764	4.8
307.19180	100.0
308.19388	10.2
311.16150	10.5
329.17386	79.9
330.17715	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	389.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01119	1.7
56.87143	1.3
57.29231	1.4
70.66823	2.4
77.93166	1.4
80.05041	1.6
87.00883	1.9
88.23672	1.3
94.01317	1.5
95.27187	1.3
96.43340	1.3
97.50723	1.2
107.03785	2.3
108.04568	4.3
114.34605	1.6
126.05611	35.9
191.29922	1.4
205.12291	1.8
268.17050	1.7
284.20187	5.4
285.18515	2.3
299.20163	5.4
300.20969	12.0
301.21448	1.7
344.34775	1.4
346.20221	100.0
347.20560	8.0
389.23401	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	389.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	2.3
70.02348	1.3
70.98161	2.1
78.41938	1.4
108.04555	5.0
126.05608	69.3
127.05958	1.7
152.28745	1.3
158.60030	1.4
221.03091	1.3
343.16235	1.5
346.20230	100.0
347.20465	13.6
356.98386	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	389.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
69.33953	49.0
71.01374	16.8
72.99342	13.3
73.02951	13.6
89.02425	15.1
101.02449	12.7
147.51578	11.9
161.23726	10.2
185.11870	35.7
257.17560	13.1
346.98120	10.8
389.21048	30.2
389.25330	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	9.3
70.36981	1.2
71.44733	1.5
85.52763	1.1
87.04515	42.2
99.37835	1.6
119.87661	1.0
119.93571	1.3
126.74941	1.1
234.39432	1.2
292.62497	1.4
301.21741	8.5
332.19293	2.0
389.26956	100.0
390.27246	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	389.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.88757	73.5
71.22028	75.4
72.95882	76.4
85.90762	80.8
180.07849	77.4
235.22552	73.2
288.64081	77.6
339.10693	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2544
Annotation	bhos#24
Peak:m/z	Relative Intensity
51.25698	0.5
52.11296	0.5
52.18887	0.5
55.28199	0.6
57.03440	1.5
58.00590	1.8
59.01376	19.4
61.98816	1.6
71.01392	0.8
71.05003	1.1
73.02944	3.3
79.39679	0.6
82.42430	0.6
83.05045	0.8
85.58081	0.5
87.04491	1.3
90.90034	0.6
97.06606	2.0
98.22637	1.1
99.04503	1.1
115.07672	1.1
121.10240	5.0
123.08160	1.0
125.09736	4.4
127.11274	3.9
135.04576	2.6
135.63245	0.6
137.09727	1.2
139.11285	1.6
143.10785	0.9
146.13097	0.5
149.02426	0.8
151.11249	1.0
153.09224	0.9
155.10783	2.6
157.12311	2.6
164.04834	0.6
165.05521	1.3
165.09158	0.7
169.12329	1.6
171.10301	2.1
188.07094	0.8
201.11320	9.0
202.11586	0.7
223.06067	1.3
257.17664	0.7
263.20038	1.0
293.21173	1.7
299.22189	1.2
311.22278	2.4
329.23306	7.0
330.23618	0.6
341.23383	4.1
359.24396	30.3
360.24640	2.8
371.24323	10.0
372.25089	0.8
389.25421	100.0
390.25729	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	389.2696
Annotation	Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3b,5b,6a)-
Peak:m/z	Relative Intensity
69.03457	14.1
87.04516	42.2
88.04826	0.5
99.07675	0.6
166.40364	0.5
169.56264	0.4
211.16234	0.4
234.51668	0.4
301.21710	8.4
302.21933	1.0
319.22781	1.0
345.27823	0.5
389.26953	100.0
390.27313	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	389.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40622	2.0
59.01380	100.0
63.21109	2.1
69.71193	6.5
72.35461	2.5
140.25018	2.2
146.87471	2.8
343.66544	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	390.0677
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71038	0.5
58.93946	0.5
59.01376	2.4
61.98831	100.0
69.95576	1.3
74.58690	0.5
90.25050	0.6
98.22533	0.6
166.28859	0.6
178.02803	0.8
193.05107	1.8
215.90564	0.5
217.00357	1.0
350.59781	0.6
361.54953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.7
61.05317	0.4
61.98829	100.0
68.29671	0.4
69.13347	2.0
87.00875	0.8
96.96021	0.7
101.69720	0.3
125.76002	0.4
128.03609	0.4
133.02963	0.4
134.03679	2.1
135.04530	1.4
149.00932	0.6
149.06151	0.7
161.02486	1.8
178.02727	0.6
179.03558	1.0
193.05057	5.0
199.07359	0.4
253.66302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06704	10.3
59.01383	100.0
61.98826	42.5
70.93082	10.8
71.01388	19.4
71.43306	10.3
73.02949	64.1
74.03293	10.1
78.55585	10.2
81.43618	10.2
83.01378	16.9
85.24113	12.0
101.02439	42.1
109.35899	11.0
109.84504	10.5
112.82787	11.5
127.76433	13.6
139.77879	10.9
143.10767	50.5
185.11742	12.3
192.21072	10.5
213.99652	12.2
258.33685	9.8
269.55688	10.5
309.30847	11.0
321.01004	11.7
383.40939	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	390.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00423	8.6
56.31821	7.8
59.01361	9.6
60.84352	8.4
61.98818	43.9
71.46439	10.3
73.07924	8.2
73.44442	7.4
89.03981	17.9
105.20638	8.8
115.05539	16.0
157.05330	20.7
158.06113	41.5
161.89111	11.7
172.88330	8.0
209.38667	9.6
231.11360	18.3
267.39264	8.0
333.76355	10.5
347.17572	100.0
348.18045	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86669	1.0
54.40157	0.9
59.01377	2.6
61.98829	100.0
63.69225	0.9
69.68305	2.3
69.68704	1.7
74.84730	1.0
77.37685	1.0
79.95732	5.4
83.05036	2.6
96.96001	17.9
106.06100	1.1
132.98500	1.1
138.99944	1.1
171.10324	1.6
185.11856	2.1
221.27431	1.1
329.54007	1.3
391.17883	13.5
391.29492	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	390.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05112	1.3
59.01381	2.6
61.98829	100.0
69.80228	5.3
81.67617	1.8
112.98848	2.4
123.04229	1.4
133.02921	1.7
135.04485	4.4
135.19795	1.4
139.04851	1.4
161.02449	4.5
179.03462	3.1
208.94579	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	2.3
59.66072	1.4
61.98830	100.0
71.46902	2.4
124.34131	1.5
134.02934	1.7
145.33356	1.3
198.29266	1.3
253.32707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	2.5
61.98831	100.0
68.19312	0.9
70.05679	0.9
70.80316	1.2
85.64184	0.9
89.29230	1.1
96.96005	3.4
97.02946	1.2
135.04413	1.2
161.79761	1.0
193.08522	1.4
230.75783	0.9
247.20760	1.0
291.19641	2.8
309.20560	4.7
313.17935	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47534	0.5
51.30944	0.5
61.98829	100.0
69.55649	1.8
96.96024	1.2
98.21879	1.0
104.41499	0.5
131.88811	0.4
153.77773	0.5
155.70915	0.5
157.81015	0.5
222.11449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49648	0.7
61.98831	100.0
69.90700	0.8
71.10783	1.1
102.80304	0.8
155.61649	0.8
190.79645	1.0
194.38019	0.8
308.66953	0.8
330.84332	0.9
358.51096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77171	1.8
57.69935	1.8
59.01377	3.4
63.75676	1.9
70.83372	2.0
72.14485	1.9
81.06765	1.7
85.02951	6.3
89.02455	2.2
92.92786	6.7
94.92519	4.5
108.90195	8.3
110.89923	2.8
111.00884	100.0
112.01222	3.3
112.09152	1.7
112.98850	2.1
129.01840	1.7
136.98814	2.1
156.20778	1.8
166.97522	71.4
167.97841	1.9
176.39174	1.9
192.95457	5.9
210.96515	100.0
211.96913	2.7
213.03485	1.6
240.90735	2.8
243.16113	1.7
283.25000	1.9
391.06821	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	391.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37584	2.0
55.66712	1.7
58.75318	1.6
59.01377	32.9
61.98830	5.8
69.54977	3.4
69.55358	3.7
69.95523	2.0
71.01378	4.3
78.91879	2.3
82.95415	2.7
85.02934	2.7
87.00893	2.8
87.77624	2.1
89.02457	2.5
92.05064	2.8
96.95969	1.8
112.03974	2.3
118.06598	5.3
122.06132	21.2
124.07657	6.6
134.03751	27.8
134.06111	7.5
136.07681	6.3
138.05600	5.1
146.06114	8.7
148.04047	13.2
149.06065	8.2
150.05605	14.1
152.07158	6.0
160.04041	31.0
161.02406	3.8
161.04807	14.1
161.07253	2.7
162.05580	9.5
164.07059	2.6
173.04799	4.8
174.05534	2.3
178.02750	14.5
178.05099	15.8
179.03427	2.9
182.06129	2.0
184.06203	2.5
191.03497	2.1
191.05815	3.5
193.05080	63.1
195.06761	1.9
199.12424	2.5
211.08907	2.4
212.10814	2.5
217.00276	2.3
224.10893	17.0
225.10329	5.6
226.10864	1.9
227.08194	5.4
228.09000	5.4
230.08202	3.9
230.11821	4.5
237.06631	5.5
240.09061	4.0
241.09944	2.2
241.13364	3.7
242.06953	2.9
242.11888	21.5
243.11308	19.8
251.08180	4.9
252.09019	33.6
253.09416	3.0
255.07684	4.1
255.11398	8.1
256.08423	2.3
257.09180	5.3
260.12933	6.3
261.12210	3.5
266.07123	2.0
267.11386	100.0
268.11880	9.6
269.09274	3.1
270.10089	4.7
284.07932	3.8
285.12457	92.8
286.12820	5.6
293.09317	7.2
303.13516	16.9
311.10382	25.2
329.11411	75.0
330.11758	7.9
347.12466	17.6
355.10159	6.8
373.10379	43.8
374.10336	2.5
391.11496	49.0
392.11899	5.3
410.28510	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65474	5.0
59.01376	23.9
61.98831	100.0
67.87292	5.1
69.46667	24.7
75.30231	5.0
76.52234	5.0
79.32069	5.2
83.39852	5.5
87.00880	18.9
94.25714	4.8
106.19399	4.5
109.06591	32.8
121.06567	7.9
125.09708	31.9
127.07645	6.5
139.11276	19.8
171.10254	33.1
183.10275	12.3
187.09787	24.7
201.11295	37.1
267.15677	5.3
275.16415	16.3
277.22018	5.9
293.17560	55.6
294.17941	8.5
302.08624	7.1
311.18613	17.6
319.15512	9.8
337.16760	26.9
348.18869	16.3
355.17688	43.5
391.15268	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	391.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55022	0.5
59.01366	2.1
61.98834	5.1
69.57150	1.1
69.57549	1.5
79.95737	14.3
80.96518	4.1
90.77443	0.7
95.95245	4.0
96.96012	100.0
97.02952	1.6
98.21909	0.8
99.92616	0.6
124.29705	0.6
139.11281	1.6
171.10307	2.3
176.98608	0.8
185.11838	1.4
211.13434	1.4
217.00513	0.7
291.45734	0.7
293.21179	4.9
300.75775	0.8
311.22336	5.3
312.22842	0.7
372.02151	0.7
391.17963	60.9
392.18335	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	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	0.8
59.01381	100.0
60.01723	0.6
60.54740	0.6
69.85252	1.4
71.01375	5.5
71.01667	0.5
73.03008	0.6
80.19854	0.6
85.02965	1.3
87.00898	1.5
89.02457	7.6
95.01410	0.6
98.21928	0.8
101.02435	3.1
113.02451	2.7
119.03504	3.3
125.02473	1.7
134.30560	0.5
135.04494	3.7
138.68513	0.6
143.03522	1.1
146.08208	0.9
149.00917	1.7
161.02493	2.4
161.04576	0.9
179.03555	1.7
179.05667	1.6
181.68668	0.5
310.88791	0.6
391.13080	1.3
391.19763	1.9
391.23846	1.0
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
52.93663	0.5
59.01379	100.0
60.01725	0.9
62.34046	0.4
65.68459	0.5
70.99791	0.7
71.01380	4.3
85.02953	0.6
87.00899	0.9
89.02441	6.4
101.02411	2.2
112.98848	0.9
113.02493	1.3
119.03513	1.6
133.02983	1.4
135.04578	1.8
143.03535	0.5
149.00893	1.0
161.02434	0.6
161.04631	0.9
179.03525	1.0
179.05640	1.5
258.10822	0.5
309.07709	0.7
334.36130	0.5
339.05396	0.6
391.19904	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02966	1.5
59.01379	10.4
60.49173	0.9
60.54219	0.9
61.98825	3.0
64.75548	1.1
69.03447	2.6
69.43277	5.4
70.02965	5.9
71.01377	1.3
71.02501	1.5
73.04079	7.8
85.04054	2.0
97.02964	1.3
97.07836	1.2
109.04050	2.4
113.02456	1.2
116.07178	63.9
123.04594	1.2
126.06744	5.0
127.05170	8.2
127.08788	1.9
131.04968	1.6
141.01970	1.4
144.07774	10.3
174.05618	6.6
202.12370	9.5
208.02582	1.1
217.00392	3.3
230.12982	11.1
257.09274	1.3
263.14078	2.1
274.12100	7.0
302.64954	1.1
374.17200	2.2
391.19879	100.0
392.20129	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14299	0.5
59.01381	100.0
60.01723	1.1
61.98824	1.2
71.01386	7.1
72.27904	0.4
73.02943	0.6
76.78058	0.5
80.67014	0.5
85.02966	0.8
87.04271	0.5
89.02449	12.9
101.02451	5.0
106.06646	0.6
113.02454	3.8
119.03510	6.1
121.57738	0.5
143.03534	1.6
158.43231	0.5
161.04616	1.1
162.02187	0.7
179.05605	3.0
200.80247	0.5
247.84427	0.5
295.54489	0.6
331.17712	1.4
391.20139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.5
59.01381	100.0
61.98838	3.3
64.75243	2.0
69.52264	1.7
71.01377	18.4
73.02944	11.5
76.15424	1.5
82.18460	1.6
83.01385	3.4
85.02953	4.4
88.85695	1.5
89.02444	13.6
91.91095	2.0
101.02453	16.6
113.02467	7.5
119.03516	4.8
119.31935	1.9
123.79793	1.7
141.09213	2.2
143.03513	2.2
149.04510	1.9
161.04576	6.9
167.39597	1.4
173.86826	1.5
179.05489	3.1
179.66269	1.8
181.58730	1.9
187.13390	6.8
217.00249	2.4
253.14481	2.9
331.17630	2.2
349.18768	12.2
359.48163	1.9
391.13327	1.8
391.27130	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	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01707	1.0
61.98820	1.8
62.97339	1.0
63.19143	0.9
63.50044	0.8
87.00865	1.2
112.98814	1.3
133.02963	2.5
135.03593	0.9
135.04504	4.5
149.00919	2.2
161.02446	2.4
179.03548	4.7
191.07152	1.1
200.66782	1.0
339.05096	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
59.01380	100.0
60.01713	1.4
69.89579	0.9
69.89913	0.5
71.01382	4.3
85.02954	1.0
87.00892	1.5
89.02446	5.4
95.83996	0.4
97.65693	0.4
101.02429	3.3
107.71267	0.4
109.02943	0.4
112.98824	0.7
113.02480	1.6
119.03500	2.4
133.03021	1.0
135.04532	3.3
143.03528	0.7
149.00987	1.9
149.04611	0.6
161.02501	1.4
161.04620	1.1
179.03488	2.0
179.05644	2.0
220.72925	0.4
222.03551	0.5
292.09930	0.5
313.07327	0.5
331.17563	0.5
339.05109	1.1
391.20129	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	0.7
59.01380	100.0
60.01705	1.0
69.44923	2.0
71.01382	10.9
72.72215	0.5
72.99309	1.0
73.02959	2.1
80.40132	0.4
83.01407	1.4
83.93831	0.4
85.02945	2.8
87.00901	1.4
87.04541	0.9
89.02441	11.8
98.22638	1.1
99.00906	1.1
101.02441	9.7
109.18408	0.5
112.98830	1.6
113.02446	5.4
119.03506	7.0
131.03500	0.5
135.04526	3.8
143.03574	1.3
149.00952	1.5
156.18233	0.5
161.02516	1.2
161.04555	5.2
161.05702	0.6
169.12344	0.7
173.16008	0.6
179.03566	1.6
179.05669	2.7
201.11310	0.8
219.03099	0.8
293.03027	1.0
331.17737	2.0
339.05490	0.7
405.21207	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56717	0.4
57.74768	0.4
59.01381	100.0
60.01698	0.9
61.98841	1.0
71.01391	3.3
71.43001	0.4
73.02939	0.7
83.65302	0.5
85.02959	1.2
88.11582	0.4
89.02446	3.4
95.07666	0.4
98.85021	0.4
101.02456	2.6
113.02478	1.5
116.07207	0.6
119.03524	1.6
153.92981	0.4
161.04581	0.8
179.05602	1.0
282.05981	0.4
331.17755	1.6
391.20099	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01380	100.0
61.98837	1.1
67.20112	1.0
71.01385	17.3
73.02953	4.8
82.95403	1.7
83.01398	2.2
85.02967	6.2
87.00879	3.2
89.02448	9.9
98.46840	0.8
99.00867	2.2
101.02435	14.8
113.02415	6.0
117.25556	0.9
119.03477	4.7
131.03525	5.9
135.04552	2.6
143.03537	1.3
149.00893	1.0
159.02971	1.2
161.04567	17.7
179.03456	2.0
179.05608	2.1
221.06621	11.8
313.07217	0.9
327.17221	0.9
331.17661	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	391.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01726	0.8
61.98828	0.6
71.01384	6.1
73.02949	1.0
85.02964	1.1
87.00901	1.6
87.25932	0.4
89.02451	9.1
94.81490	0.4
95.01370	0.6
99.62006	0.4
100.17229	0.4
101.02440	3.0
106.06628	1.2
109.03036	0.4
112.98812	2.2
113.02441	2.8
119.03506	4.7
119.05000	0.6
130.08784	1.8
130.65750	0.4
133.03001	1.5
134.03745	1.1
135.04536	4.7
135.64584	0.5
143.03558	0.8
149.00966	1.3
150.05649	0.8
154.06255	0.5
161.02490	2.5
161.04608	1.7
163.04051	0.5
164.07159	0.6
170.15495	0.4
175.04225	0.5
177.01991	0.6
178.02710	1.1
178.99876	2.3
179.03511	3.3
179.05614	3.3
183.93896	0.4
219.03038	0.6
222.03525	0.7
230.25398	0.4
239.01942	2.1
241.01385	0.5
271.16748	1.7
293.03140	0.6
309.07800	1.6
331.17712	0.7
339.05106	0.9
356.09735	1.1
357.14554	0.9
391.19638	3.1
392.19391	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01710	1.1
61.98844	0.6
69.58863	2.2
71.01402	0.5
103.05560	0.5
112.93922	0.6
112.98848	0.7
123.81702	0.5
133.02994	0.9
135.04568	1.5
149.00935	0.7
161.02380	0.6
179.03534	1.2
208.27130	0.5
229.14531	0.7
238.63618	0.5
339.04895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35604	1.2
50.61831	1.2
57.03394	1.2
59.01374	13.4
61.98811	2.0
62.51588	1.1
63.64178	1.0
64.38268	1.1
66.51582	1.0
69.03446	1.9
69.31194	5.9
80.91654	7.3
83.05016	1.5
93.03457	3.6
95.75633	1.2
97.02940	2.6
97.06588	1.4
99.92564	3.4
111.08107	1.3
123.08199	1.6
125.09673	1.3
137.09669	4.8
151.03865	1.4
151.07639	3.8
152.08408	4.8
163.11266	4.0
165.12842	4.8
166.01257	2.1
167.37137	1.2
171.10257	1.6
179.14436	1.5
181.12305	2.9
193.08453	12.2
207.09976	5.2
209.11732	1.9
209.15425	2.8
219.10028	2.2
223.13243	2.2
227.17972	1.5
245.11638	2.5
245.19130	2.3
247.20564	5.8
248.10226	5.2
248.21158	1.5
261.64630	1.3
280.11703	1.4
287.16498	1.6
291.16461	2.3
291.19644	37.3
292.19946	1.8
309.17471	2.9
309.20682	59.7
310.21024	4.7
313.14386	2.4
313.17773	16.3
314.18109	1.9
331.15305	8.8
331.18875	100.0
332.19263	9.6
391.20850	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	391.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.6
59.01387	14.7
61.98837	8.9
69.03451	5.6
69.75562	2.4
69.75915	4.9
73.67747	1.6
80.91686	8.1
83.05043	2.4
85.02953	1.6
96.96032	11.6
97.02952	47.2
98.03284	1.8
98.21867	1.8
99.92583	7.8
106.14212	1.6
111.04546	6.2
113.51592	1.7
123.08199	2.9
125.09749	1.8
133.03003	1.7
137.09717	9.5
151.11282	4.0
161.02518	2.2
171.10240	7.5
187.91727	1.4
193.08466	8.5
195.13957	2.0
196.98947	1.8
207.10045	3.6
221.11833	3.6
233.11661	4.6
239.12799	2.4
247.20668	5.7
261.11063	5.9
262.11853	100.0
263.12283	5.9
273.14590	1.8
273.18677	2.0
287.16336	3.1
291.19681	63.2
292.19998	6.1
309.20709	85.8
310.21109	7.5
313.17798	6.8
322.12720	3.6
331.18939	68.1
332.19180	3.0
374.11942	3.7
387.94229	1.4
391.17764	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	391.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	11.8
61.98828	5.6
65.86680	1.9
69.30813	9.4
71.01390	2.3
80.18030	2.2
80.91704	6.9
99.92592	3.6
111.08167	4.4
115.58801	1.7
130.56973	1.9
139.07690	4.9
153.12898	2.8
167.10713	2.2
169.12381	2.8
175.98706	2.1
181.26004	1.7
209.11621	9.0
219.09981	5.6
221.11543	2.0
222.08809	5.1
242.02299	2.1
248.10318	5.0
249.11047	3.8
253.10497	2.9
263.20142	2.3
273.18677	4.1
291.19644	13.0
303.19305	3.4
309.20728	40.7
310.21115	3.7
331.18921	100.0
332.19156	12.4
349.23746	6.2
363.16476	2.6
370.04346	2.0
391.16647	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	391.2103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37579	4.7
59.01384	38.6
61.98826	9.6
80.02680	5.8
81.03476	4.2
83.05012	20.6
84.02156	5.3
84.33060	4.7
89.02459	38.1
104.31499	4.6
125.09756	5.8
134.30545	4.5
137.09727	45.8
139.11272	12.9
151.11165	5.1
153.09216	9.5
155.10773	24.5
167.10715	4.7
171.10260	52.0
193.08432	18.5
193.12297	15.0
207.09938	6.0
211.13499	5.9
214.20390	4.3
242.96140	4.6
245.37598	4.4
247.20430	4.7
268.27408	4.4
275.20035	13.7
287.20090	9.3
291.19659	50.8
293.21252	10.2
309.20770	93.9
310.21024	8.3
331.18881	100.0
332.19296	8.3
391.25092	49.3
392.25415	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	391.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64708	2.8
54.57743	2.9
57.03431	3.2
59.01382	45.6
61.98802	3.7
63.03225	3.3
68.48744	3.3
69.35894	17.2
80.91676	3.2
83.01389	13.5
83.05058	6.5
95.05013	4.0
96.96012	3.8
97.06573	4.3
101.52977	3.2
104.95365	3.4
110.03721	3.6
123.04568	6.0
125.09718	16.8
139.11325	15.6
163.11299	8.2
165.12808	15.9
167.10735	7.4
168.52528	3.2
175.07535	3.8
181.12381	5.3
182.34605	3.4
191.10794	3.3
193.16071	5.9
209.11821	100.0
231.10007	47.6
232.10204	5.8
247.20651	13.2
265.21790	5.8
273.18643	4.5
281.21042	4.3
287.20010	5.0
291.19659	95.3
292.20023	7.2
309.20746	99.3
310.21014	5.8
317.17340	4.0
331.18994	19.7
331.22565	3.1
391.21072	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	391.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27882	0.6
53.54010	0.6
54.75333	0.6
59.01368	2.8
71.01383	5.1
71.96303	0.5
72.99308	41.9
75.00852	0.6
88.04111	0.6
89.02445	47.5
109.98585	0.6
198.77037	0.6
235.17046	1.8
275.20251	1.3
278.28696	0.7
293.21213	4.3
294.21503	0.8
301.21722	14.9
302.21960	1.6
308.60834	0.7
319.22720	1.6
391.24896	100.0
392.25162	11.6
401.95358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08491	1.8
52.15345	1.7
56.24058	1.7
59.01381	6.8
65.91813	1.7
72.94120	2.3
80.75680	1.7
139.04016	3.2
167.03473	10.1
170.48573	1.9
200.77554	1.7
333.20731	19.1
334.21457	100.0
335.21829	6.5
376.22421	10.2
391.25037	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	391.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	91.4
70.12413	69.4
78.41075	22.8
97.70320	27.7
98.22620	29.8
158.40903	27.2
192.85590	30.2
255.23384	100.0
406.85229	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01285	17.9
59.01369	39.6
64.41521	19.1
66.25369	17.2
69.44332	88.7
93.41022	20.9
129.57780	16.8
255.23283	100.0
358.62338	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	4.3
59.01381	77.1
60.01729	0.9
61.98832	11.6
69.13682	2.8
71.01393	2.7
71.05017	2.7
73.02968	0.8
73.93817	0.7
81.10962	0.6
83.05006	0.8
85.02966	0.9
85.06581	4.1
87.04519	0.8
97.06592	1.6
101.02463	1.2
109.06590	3.0
110.13394	0.6
111.08204	0.7
113.02427	0.7
115.07652	10.1
119.03500	0.6
123.08185	1.9
125.09723	0.7
128.03578	0.9
135.08200	1.9
138.06868	1.0
141.09225	1.8
143.10765	1.8
153.09222	6.4
155.10762	1.1
157.12367	1.9
161.04675	0.7
173.11809	2.1
176.66826	0.7
177.12880	1.2
179.14424	1.5
184.00156	0.9
187.13420	3.0
189.35533	0.6
197.15500	2.2
210.74908	0.7
217.00325	0.9
229.09744	0.9
259.19073	3.6
318.50491	0.7
331.17697	1.1
331.24915	15.7
332.25104	1.5
347.10345	1.6
373.25827	1.0
391.09348	6.1
391.27026	100.0
392.09616	0.9
392.27356	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	3.9
58.00588	0.8
59.01381	28.9
59.85493	0.5
60.01722	0.6
61.98831	18.2
69.29404	2.5
71.01369	1.2
71.05010	0.6
72.33234	0.5
73.02932	1.9
87.04507	2.8
88.89819	0.4
89.02408	0.7
97.06598	1.7
101.02462	1.3
109.06608	1.4
113.02367	0.5
113.09725	1.2
123.08172	2.5
124.31547	0.5
125.09715	1.3
127.11295	1.8
135.04533	0.8
135.08144	1.3
137.09729	0.8
139.11363	1.1
141.09212	1.8
143.10777	2.1
149.64377	0.5
151.11269	0.6
153.09235	2.7
154.51291	0.5
155.10783	2.0
157.12354	1.6
161.04572	0.5
169.12317	1.3
169.28293	0.5
171.10216	1.9
174.34973	0.5
187.13396	1.6
201.11356	0.9
217.14505	0.8
263.20264	0.7
265.21564	0.7
297.20663	1.0
315.21857	1.8
325.23743	0.6
331.17654	0.9
331.24838	2.8
343.24866	4.1
349.18820	0.7
359.24261	2.0
361.25958	39.9
362.26248	4.8
370.40768	0.5
373.21164	0.7
373.25873	10.1
374.26282	1.3
391.27011	100.0
392.27313	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	392.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56806	1.5
61.98835	2.8
69.30457	8.0
91.05553	5.2
93.77203	1.7
98.21938	2.5
117.07108	7.2
160.07663	10.2
231.11302	5.6
255.68797	1.7
319.22675	3.7
333.20239	5.2
349.19260	17.8
349.23752	100.0
350.20020	2.8
350.24118	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	392.208
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	4.7
59.01371	12.6
61.13314	3.3
61.98828	100.0
69.47258	12.7
77.55268	3.7
83.05040	10.4
84.02201	4.5
85.02946	22.7
99.92593	7.3
110.03716	3.6
111.04528	9.9
117.15856	3.5
181.47318	3.3
263.16531	10.3
275.20169	9.8
287.20123	7.6
291.19858	5.0
331.19107	12.9
349.20026	10.6
349.23822	53.2
350.24133	5.6
356.19098	4.8
386.84912	4.1
393.22852	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44567	0.7
59.01371	1.7
61.98832	100.0
69.18158	4.0
83.23783	0.8
87.26218	0.6
135.04585	0.7
161.02457	1.9
161.79240	0.7
174.17134	0.7
179.03557	1.1
203.18404	0.8
236.91829	0.7
349.20148	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.244
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79669	3.2
57.77388	3.6
59.01371	12.9
61.98823	14.7
63.96176	3.8
69.92691	3.9
71.42752	4.0
73.97927	3.5
75.37119	3.2
80.10323	4.0
80.96516	26.3
82.96120	3.9
97.60522	4.4
111.92953	21.7
132.29898	4.1
139.11301	4.6
147.61624	4.0
171.10278	11.1
176.10542	3.8
193.08377	5.3
207.10088	7.0
211.13371	4.3
231.34422	3.4
233.11584	12.1
273.22186	4.8
293.21155	8.1
306.08902	3.9
310.19278	8.0
311.22299	68.8
315.19266	9.3
319.22705	12.0
333.20493	11.3
349.23849	100.0
350.24020	14.1
378.62936	3.9
392.16330	11.6
393.15738	6.7
393.22879	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	392.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62170	5.3
55.98981	4.5
59.01357	5.0
59.20490	4.9
61.98843	6.0
89.95736	4.7
98.21891	16.5
99.92573	6.7
101.00068	5.4
112.08159	4.9
152.22183	5.1
186.72771	5.4
219.17453	6.3
263.16568	50.2
264.16867	7.2
314.46814	5.2
349.23837	100.0
350.24295	11.1
393.13409	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	392.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	14.5
61.98816	12.4
70.59138	11.0
78.95915	20.3
79.30257	7.6
94.24767	7.7
152.99580	16.8
172.53423	10.4
180.07436	9.1
180.53404	10.1
215.58704	8.2
263.16516	36.9
277.21793	10.7
295.22763	28.7
349.23724	100.0
358.19214	8.8
392.15268	11.4
393.19617	40.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	18.2
59.15872	7.5
61.98827	8.5
76.76894	8.9
99.57101	8.1
126.61528	7.2
132.99539	7.7
150.73000	8.0
162.28804	8.5
219.17549	11.6
263.16577	47.8
349.23883	100.0
350.24164	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	392.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14000	3.3
57.22938	3.4
59.01379	9.9
61.98814	3.9
64.95937	3.4
67.31419	3.2
69.30978	20.6
69.64867	3.5
71.01399	3.3
80.91676	4.3
84.02742	3.3
99.92595	8.0
115.92102	5.7
116.92832	11.3
125.00255	4.2
195.42976	3.6
222.08728	27.4
236.10371	6.9
273.22272	18.1
311.22208	7.9
317.21307	21.5
319.22781	3.5
333.20651	22.1
349.19879	6.8
349.23862	100.0
350.24182	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	392.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20749	3.5
51.91994	3.0
59.01385	6.5
59.51030	3.2
59.98941	3.2
61.98833	23.2
69.61107	4.3
69.61473	12.3
71.05030	3.0
79.01402	2.6
80.02689	7.3
81.03429	2.9
84.02148	11.7
85.02942	19.2
95.04961	4.1
99.92590	12.3
110.03736	12.3
111.04539	5.2
112.86196	3.3
114.03234	8.2
175.55920	2.8
182.61172	2.9
195.23016	3.0
210.41887	3.3
219.17574	6.2
233.11507	3.8
245.28619	3.4
257.19135	8.6
263.16449	27.7
275.20209	21.1
291.19696	3.3
310.21072	6.2
319.19165	11.2
349.23828	100.0
350.24149	12.8
387.64746	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	392.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75185	3.3
57.90833	3.0
59.01398	6.3
61.98827	8.7
69.47564	12.3
69.74813	2.9
83.20948	3.4
91.93633	2.8
94.39454	3.3
96.56703	2.8
99.66821	3.1
99.92542	3.9
137.40126	3.0
190.00156	3.1
273.22372	4.8
322.07022	3.2
332.15509	8.0
332.19168	4.2
349.23831	100.0
350.24158	13.8
416.09698	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	392.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37069	1.1
59.01384	2.5
61.98839	3.1
69.53783	4.3
98.22617	3.0
113.94035	1.4
175.86115	1.4
244.07593	1.3
293.21109	3.4
311.22235	4.6
319.22696	3.8
333.20584	8.4
349.23816	100.0
350.24158	10.6
395.65225	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	392.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98826	7.3
66.26755	1.3
70.96431	1.4
97.76985	1.0
106.68027	0.9
119.11372	1.1
136.41531	1.0
170.88400	1.4
213.80759	1.1
233.11668	1.3
245.92766	1.1
262.43784	1.1
286.15436	1.1
319.22723	4.5
333.20773	1.3
349.23825	100.0
350.24173	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	392.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
68.04279	22.0
69.63073	82.1
70.24687	22.0
70.36877	23.0
71.01374	53.2
86.87999	22.1
96.96001	82.2
98.22618	45.2
102.78727	20.9
118.45083	21.2
120.26376	26.3
125.09663	40.9
149.35280	28.0
289.72189	22.9
295.99008	23.6
311.16742	48.2
337.97427	26.3
393.26929	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	393.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84904	0.9
59.01379	88.8
60.01708	2.9
60.99302	13.5
61.98829	6.4
62.62610	0.9
66.85506	1.0
69.30333	2.3
69.30743	3.0
71.01391	7.8
72.01714	1.2
73.02941	1.4
76.74708	1.0
85.02942	2.5
87.00828	1.2
88.98806	100.0
89.02444	5.1
91.54073	1.1
99.92574	2.4
100.93359	1.6
101.02453	6.2
102.21136	0.9
113.02455	2.8
115.92022	1.5
116.92856	3.6
119.03476	1.9
125.02471	1.2
129.66847	1.0
134.03673	1.1
147.04597	1.3
150.05638	1.4
161.04570	1.5
179.03418	1.0
179.05661	1.6
185.11873	1.7
211.64912	1.0
213.14873	1.8
268.56512	1.2
285.91617	1.0
287.04016	1.3
331.72198	1.1
333.19229	7.0
358.14557	1.0
364.72958	1.3
374.16901	1.2
374.93707	1.5
393.07382	1.4
393.21341	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	393.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.3
61.98819	1.8
69.83524	1.3
69.83887	1.2
71.01389	1.2
73.02956	7.4
73.39391	0.7
81.03455	2.2
83.01392	1.2
87.00869	0.9
101.02444	1.3
109.06577	1.3
111.04524	2.6
125.02452	5.0
139.45853	0.6
149.02451	0.8
151.00308	0.8
151.07642	18.2
152.07997	1.0
161.02373	0.7
177.05571	0.8
195.06618	100.0
196.06956	5.6
201.54909	0.7
219.06612	0.8
357.11899	11.7
358.12061	1.2
393.14786	1.8
393.21274	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	393.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	25.3
64.05442	14.3
70.46497	21.6
71.01362	16.5
83.85152	13.4
85.42356	12.2
94.00266	11.3
97.16391	10.5
109.06585	23.1
152.99529	13.4
167.07140	75.4
167.79681	12.4
171.10255	50.2
182.15822	11.3
201.11336	100.0
213.11261	14.0
237.11273	23.0
321.17062	58.8
334.15552	23.8
339.17984	43.1
357.19073	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.5
55.37127	0.6
57.03442	3.1
58.00591	1.7
59.01377	100.0
61.98829	1.9
69.03458	1.5
69.30131	1.6
69.30541	2.0
71.01381	59.4
72.01713	0.7
72.99303	2.0
73.02941	21.1
75.00860	0.8
81.03448	0.7
83.01384	11.2
85.02949	24.4
87.00878	4.4
87.04523	1.3
89.02444	32.7
95.01392	3.6
96.95989	0.7
97.02962	2.2
99.00887	6.9
101.02441	55.3
102.02757	1.3
103.04028	2.9
111.00875	3.2
113.02444	18.4
115.04011	1.6
119.03500	8.5
125.02454	2.6
129.01976	1.5
131.03506	16.8
139.04024	1.4
143.03523	4.2
145.05031	1.0
149.04553	5.6
157.08722	1.2
159.02983	2.5
161.04564	13.4
163.06136	5.8
175.58134	0.7
179.05644	3.3
180.10582	0.9
191.05641	0.7
205.07170	3.5
215.05508	0.9
229.07074	0.7
233.06665	2.2
246.63528	0.7
247.11974	3.5
261.13416	47.8
262.13828	2.4
279.38327	0.7
333.15515	1.8
347.17432	1.0
393.17670	70.9
394.18228	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	393.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60668	0.4
55.01871	1.2
55.45940	0.4
57.03448	1.1
58.00595	1.7
59.01378	100.0
69.03454	1.2
69.22633	2.3
71.01382	43.1
72.01707	0.7
72.99296	2.8
73.02946	32.1
74.03323	0.5
75.00874	0.9
81.03456	1.1
83.01385	4.6
85.02951	13.5
86.00079	1.0
86.92776	0.4
87.00880	8.8
87.04506	4.6
89.02445	46.1
90.02783	0.5
95.01404	2.0
96.66351	0.4
97.02975	1.5
98.21859	0.8
99.00880	1.2
101.02443	51.7
102.02804	1.0
103.04012	19.6
113.02451	10.2
114.02800	0.5
115.04009	7.5
119.03503	20.5
125.02468	2.8
127.04037	1.9
129.25940	0.4
131.03499	9.0
131.04431	0.5
133.05092	0.6
134.54626	0.4
143.03502	13.4
143.04605	0.8
145.05077	6.1
149.04532	0.8
161.04628	1.8
161.19327	0.4
161.33000	0.4
163.06122	45.7
164.06509	1.5
179.05634	6.7
182.91922	0.5
205.07155	25.8
206.07504	0.9
247.11974	1.9
265.09299	2.7
316.18390	0.5
393.17709	4.8
394.17651	0.6
405.28503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19369	0.4
55.10531	0.4
58.16156	0.4
59.01376	0.9
61.98830	0.7
83.05064	0.4
87.35972	0.4
93.03490	0.6
109.04604	0.4
114.59285	0.4
117.03422	0.7
119.05030	100.0
120.04599	0.6
120.05383	3.8
145.02971	3.3
155.56721	0.4
159.69914	0.4
201.11346	1.5
221.06152	0.7
221.84158	0.6
229.10857	1.2
229.13478	0.8
230.11868	0.8
247.14540	1.7
249.15221	0.4
273.12448	42.5
274.12802	2.9
321.16907	0.7
393.18204	16.0
394.18573	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	393.2053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06535	1.0
57.96808	1.0
59.01380	9.4
61.98823	1.8
69.35412	4.2
75.00876	9.9
78.95904	16.0
95.05025	2.9
96.96946	2.9
100.83309	1.0
114.93436	1.3
117.89094	1.2
147.98700	1.1
151.11296	1.6
152.99585	22.8
165.75726	1.3
171.10274	21.3
172.10527	1.8
174.99280	2.4
187.58356	1.2
190.64174	1.3
220.46799	1.1
230.22069	1.1
267.09259	1.2
269.07071	2.6
272.67224	1.5
277.21741	29.5
278.21829	2.3
295.22781	100.0
296.23135	8.8
311.16748	1.1
327.12643	1.4
329.14194	1.8
347.15158	2.5
349.16873	3.7
350.24023	1.9
369.00476	1.4
393.19595	47.3
394.19864	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	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59350	0.5
52.74820	0.5
59.01379	100.0
60.01707	0.9
61.98819	1.1
66.19033	0.5
69.16029	3.5
71.01386	4.3
73.02948	2.3
83.01388	0.7
85.02943	2.6
87.00871	0.6
89.02451	0.9
100.83115	0.6
101.02468	4.1
113.02495	1.7
161.04535	3.1
333.19193	6.7
334.19638	0.6
393.21378	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	393.2131
Annotation	JBIR-56
Peak:m/z	Relative Intensity
54.38583	0.6
55.01854	0.9
57.03456	0.7
57.40457	0.7
59.01380	59.3
61.98829	7.1
70.78887	1.1
71.01383	23.3
72.99289	1.3
73.02952	1.2
83.01377	1.3
83.39681	0.6
85.02943	5.1
87.00885	1.0
87.07412	0.6
89.02444	26.3
95.01398	1.9
100.11707	0.6
101.02444	17.4
113.02444	9.0
119.03502	10.3
139.50607	0.7
143.03482	0.7
161.04546	1.0
167.14455	1.5
168.92210	0.6
179.05655	1.3
185.15431	0.7
211.16338	0.7
213.14948	15.7
214.15297	0.7
231.16066	3.7
309.56476	0.7
333.82913	0.6
337.26724	0.8
357.25934	0.8
393.21301	100.0
394.21634	10.9
399.92975	0.6
410.91177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18828	0.6
59.01382	100.0
60.01709	0.8
61.98832	2.8
65.65836	0.8
66.34972	0.8
69.31661	0.7
69.63187	0.8
69.63521	2.6
71.01367	1.1
84.99305	0.8
86.77209	0.6
87.00888	1.2
89.93131	0.9
98.21897	0.8
111.78852	0.7
112.98818	4.7
116.56184	0.7
133.02983	1.0
135.04541	5.7
161.02516	2.9
163.04059	0.8
179.03473	4.6
189.41628	0.7
219.03082	1.9
289.21716	6.6
293.03052	3.5
313.11911	0.7
315.19678	1.3
333.20636	4.7
351.21634	1.0
408.52780	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	15.2
61.98823	12.7
66.74268	6.0
71.01369	12.7
80.91674	17.1
82.88956	7.3
91.43567	6.8
97.06618	5.5
99.58239	5.6
99.92574	28.9
100.93336	8.6
103.03012	6.0
104.96157	5.3
115.92078	15.5
116.92847	28.0
222.08733	100.0
223.09004	6.9
236.10284	23.8
251.39688	6.4
282.09418	7.1
311.22235	34.4
333.20480	77.5
350.24051	25.4
376.13541	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	393.2284
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
57.19689	5.4
59.01360	5.7
61.98845	25.1
64.03152	4.0
65.04031	5.0
65.89053	4.7
69.63924	9.3
69.64252	7.0
75.12049	4.0
80.29272	4.1
88.58447	4.4
93.27567	3.9
98.08334	4.4
108.35895	4.4
155.76639	5.8
174.42163	4.7
201.43840	4.6
273.18655	6.8
298.80267	4.8
301.18002	32.4
305.21219	10.9
319.22787	10.2
323.22205	7.2
333.20752	100.0
334.20987	12.0
350.24261	11.2
393.15771	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	393.2282
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
50.94790	1.5
59.01379	3.9
61.98819	1.7
66.85990	1.6
69.19993	1.7
69.56494	4.6
75.00867	4.7
77.61026	1.5
97.06611	3.8
135.04585	2.2
151.31245	1.9
167.02498	1.6
198.96672	1.6
217.16026	2.0
219.13869	9.2
258.41876	2.0
299.20084	2.6
301.18060	11.8
321.14651	2.0
333.20709	100.0
334.20923	10.3
351.21765	2.5
366.52484	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	393.2282
Annotation	Melissoidesin P
Peak:m/z	Relative Intensity
50.65521	1.8
52.23419	1.7
55.03566	1.8
59.01392	4.4
61.13258	1.9
61.98823	3.6
65.19682	1.8
65.45004	1.9
69.03442	1.9
69.95771	3.6
71.35802	1.7
74.99599	2.0
75.00863	7.1
79.54019	1.8
89.31391	1.9
95.05051	2.4
97.06592	12.1
135.04530	3.5
146.85999	2.0
170.32535	2.0
173.13391	4.2
191.14331	2.0
201.12836	13.1
205.15973	2.0
217.15910	11.2
219.13924	4.9
230.52225	2.0
235.17017	4.8
237.16376	5.4
253.19691	4.1
255.17529	5.5
255.34712	1.9
271.20596	4.9
281.56567	2.0
299.16418	4.8
301.18008	2.3
306.49344	2.1
333.20688	100.0
334.21207	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	394.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70146	2.9
51.62423	2.8
56.51844	3.1
59.01368	9.1
61.98827	100.0
66.96201	3.4
69.57850	14.4
82.65236	3.3
93.03481	5.7
94.37679	3.8
98.21885	3.9
117.03461	7.6
119.05016	36.2
130.43925	3.6
145.02968	30.4
149.14531	3.3
152.99564	4.4
163.04008	8.0
174.05594	8.7
211.37483	3.7
231.11395	6.1
299.10400	4.3
300.10757	6.5
314.20493	3.6
394.14825	49.3
395.16162	40.7
412.72009	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	394.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	5.2
61.98829	100.0
69.58024	2.2
77.03461	0.6
89.02483	1.1
101.02457	1.3
117.03502	1.2
119.05045	5.2
127.07661	2.6
127.50450	0.8
128.08014	2.7
145.02946	5.0
163.04022	2.4
168.29065	0.8
171.06650	2.1
171.78682	0.8
172.06921	1.3
174.05591	0.8
198.50339	0.9
231.11432	2.3
275.10394	1.1
393.21106	0.9
394.14563	2.4
394.21848	1.8
395.16061	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	394.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92775	1.6
56.85558	1.6
59.01399	2.4
61.98830	100.0
69.82471	5.4
88.36177	1.5
98.21917	2.9
101.71362	1.8
102.54060	1.4
102.85155	1.5
102.99799	1.4
335.22366	2.0
361.86517	1.5
394.18573	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	394.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13081	4.8
59.01376	7.9
61.98539	8.8
61.98831	100.0
66.14348	4.8
71.24951	5.0
75.00864	20.8
79.52800	4.6
99.92577	14.8
101.51923	5.1
124.53408	5.5
171.10205	12.6
218.61676	5.3
312.22647	20.0
316.19702	9.8
319.22391	6.9
320.23129	6.9
333.20706	6.2
356.75644	5.2
394.15945	5.2
395.15872	7.0
404.61884	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	394.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70070	3.0
52.57497	3.8
53.69987	3.2
61.98836	11.6
69.03442	4.4
69.38181	9.5
69.38579	6.6
76.17674	3.6
83.87718	3.6
98.22799	5.1
98.57710	4.1
116.92909	4.0
124.56367	4.1
125.02462	4.9
135.00902	8.1
151.00385	4.9
259.20630	36.5
260.20819	5.6
268.07416	12.3
297.08643	3.8
303.19641	100.0
304.19824	9.6
332.22150	5.8
351.21765	64.2
352.22092	9.3
393.94577	24.9
394.22519	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	394.2596
Annotation	Unknow
Peak:m/z	Relative Intensity
60.15493	21.6
61.67142	22.0
69.55853	100.0
69.56240	40.7
70.84676	21.0
106.18958	26.6
136.97284	23.3
146.65019	22.8
153.32974	24.0
154.04480	26.0
154.86638	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	394.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04105	68.0
61.12528	72.3
63.74303	71.4
70.01237	68.7
70.75359	100.0
135.95419	64.1
181.15764	77.7
273.58118	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	36.1
60.90055	1.2
64.56938	1.2
69.22623	5.8
71.01385	13.4
73.01730	1.2
85.02927	3.9
87.00858	1.6
89.02449	15.6
95.01374	1.7
101.02439	8.4
113.02479	6.1
119.03497	5.7
119.05036	2.6
121.02914	4.5
127.97015	1.2
133.02902	2.2
135.04520	1.9
137.02487	1.6
153.05594	6.9
161.02423	2.2
167.86717	1.3
179.03505	1.5
180.04289	2.3
182.02162	4.1
197.04546	22.4
211.06090	3.1
239.05589	11.6
297.50397	1.3
299.07504	1.4
359.09818	100.0
360.10245	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	395.161
Annotation	LGK974
Peak:m/z	Relative Intensity
59.01380	4.8
69.68295	0.6
70.72920	0.8
70.73270	1.1
71.01373	3.2
71.79511	0.6
73.02935	1.3
79.64912	0.6
83.01393	0.8
83.05011	1.2
85.02987	1.3
87.00945	0.9
89.02461	0.9
95.01436	0.6
101.02454	3.7
110.50190	0.6
112.98849	0.7
113.02428	1.6
117.03465	21.0
119.05029	100.0
120.05354	3.4
121.02937	1.6
132.05869	0.7
134.03745	1.2
135.04517	2.1
144.04538	1.8
145.02953	73.5
145.06578	2.4
145.65952	0.6
146.03305	2.8
147.04538	0.8
149.00885	0.8
153.09105	0.7
161.04597	1.8
162.03256	0.7
162.05554	4.1
163.04010	27.3
164.04329	1.3
172.07632	4.4
173.11812	1.1
174.05586	17.9
175.05891	1.0
179.03432	1.0
205.14816	0.7
231.11377	19.9
231.13652	1.0
232.11653	1.6
249.12418	11.0
271.35840	0.7
275.10388	14.7
276.10449	1.2
351.18100	0.8
395.16083	93.9
396.16409	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	395.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	3.5
56.11877	0.3
56.99836	0.4
57.03445	3.5
58.00595	0.8
59.01379	39.5
60.01708	0.4
61.98807	1.4
69.03435	1.1
71.01382	36.4
71.42996	0.3
72.01700	0.4
72.99310	1.1
73.02943	20.0
74.03268	0.3
75.00851	0.7
81.03449	0.4
83.01388	15.0
83.05018	0.3
85.02950	22.3
85.06577	0.3
86.00084	1.2
87.00867	2.0
87.08157	0.8
89.02442	4.3
89.46409	0.3
95.01392	2.8
97.02943	1.4
97.08857	0.3
99.00883	6.7
101.02444	51.7
102.02769	0.9
103.03999	1.5
107.44801	0.3
111.00880	1.1
112.98801	0.7
113.02453	15.3
114.02787	0.6
115.03979	0.3
117.03431	1.0
119.03523	0.9
119.05030	4.4
121.02984	0.4
123.00972	0.3
125.01630	0.3
125.02459	1.9
127.04018	0.4
129.01965	1.2
134.92271	0.3
135.04533	1.3
143.03494	1.9
145.02943	4.1
145.04974	0.8
157.08746	0.6
159.02992	2.8
161.04567	16.9
162.04927	0.4
163.04001	1.1
163.06114	1.1
174.05641	0.7
179.03505	1.1
231.11459	1.1
233.06830	0.6
247.08263	0.8
249.13428	100.0
250.13756	5.8
275.10538	0.5
289.11987	0.8
293.38965	0.4
395.19455	28.9
396.19717	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	395.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.2
55.42099	0.5
56.66572	0.5
57.03455	3.1
57.03683	0.5
58.00590	0.7
59.01380	37.4
61.98818	0.6
71.01384	35.2
71.06870	1.0
71.99043	0.6
72.99286	0.7
73.02570	1.3
73.02950	20.6
75.00859	0.9
80.60136	0.6
81.03439	0.8
83.01386	13.6
83.55303	0.7
85.02953	24.9
85.06571	0.8
86.00104	1.0
87.00864	1.6
87.08134	0.9
89.02451	5.0
93.65534	0.6
95.01379	2.5
97.02943	1.6
99.00881	7.3
101.02448	49.2
102.02766	1.0
103.04002	2.4
111.00853	1.7
113.02463	15.7
117.92470	0.8
119.03517	1.3
125.02451	1.4
126.08195	0.6
129.01889	0.9
143.03485	2.2
145.05019	0.8
159.03027	3.7
161.04555	16.7
162.04887	0.9
163.06113	1.9
171.10272	8.6
229.07159	0.9
242.08517	0.7
247.08224	1.4
249.13434	100.0
250.13779	4.8
273.44016	0.6
278.65598	0.7
298.78650	0.6
326.41031	0.7
395.19220	35.1
396.19638	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	395.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82743	1.5
56.63346	1.4
57.65761	1.2
58.70232	1.4
59.01376	2.4
61.98831	41.2
64.08212	1.4
66.46387	1.2
69.79736	3.5
71.05009	10.3
71.65437	1.4
74.28225	1.8
77.10776	1.2
81.03490	1.7
99.04519	1.9
102.76621	1.4
133.02979	3.2
135.04526	2.8
161.02432	2.0
177.01883	3.2
219.17542	6.9
263.16501	31.5
264.16730	1.5
293.02988	1.6
306.69611	1.6
335.22272	100.0
336.22626	10.4
402.88760	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2438
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
51.96915	1.7
58.00623	1.6
58.47196	1.7
59.01369	4.8
61.96223	1.7
61.98813	4.7
63.17701	1.8
68.63376	1.7
69.03448	1.6
70.98365	2.2
77.85327	1.6
81.92763	1.6
97.94698	1.5
133.02942	3.9
138.17586	1.7
149.87161	1.8
150.01077	1.6
161.02448	2.4
197.32178	1.5
197.67801	1.9
230.70897	1.8
247.20636	2.6
259.20267	2.0
261.22217	27.4
262.22577	2.6
271.97403	1.7
273.22232	17.3
274.22513	1.9
289.21503	2.1
291.19727	51.0
291.23172	6.9
292.19943	5.1
335.22266	100.0
336.22577	11.6
395.17886	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	395.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10370	3.6
57.12947	3.6
59.01377	14.5
61.98839	16.1
65.00303	3.1
69.51201	12.7
70.01214	3.3
94.24582	3.3
95.05036	3.8
99.00893	10.8
99.92608	10.2
125.09768	4.7
151.07608	5.1
157.15738	3.3
169.85674	3.7
178.98804	3.2
196.47232	3.2
221.84932	3.1
223.49193	3.1
261.22110	4.1
273.22305	38.3
274.22449	3.4
294.05447	4.0
295.06183	8.2
321.17026	5.5
335.22263	100.0
336.22540	7.9
376.97842	5.1
394.98734	9.8
395.20892	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	395.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29458	1.9
54.14675	1.5
57.03458	2.4
59.01376	6.2
61.91145	2.0
63.80603	1.9
65.41493	1.8
70.64261	2.0
85.02949	4.4
107.67016	1.9
122.53864	1.9
126.38310	2.2
168.15871	2.1
213.52145	1.8
236.43060	2.0
261.22244	27.3
262.22656	2.3
271.20575	2.2
273.22296	12.1
289.21588	3.0
291.23312	7.3
331.18961	2.2
335.22278	100.0
336.22733	9.4
395.17807	5.6
414.27509	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	395.2438
Annotation	ent-13R,15-Dihydroxy-14S-acetoxy-1(10)-halimen-18-oic acid
Peak:m/z	Relative Intensity
50.45348	0.9
59.01379	100.0
60.01718	1.0
61.98831	10.8
70.58752	0.9
75.60131	1.0
76.61906	0.9
83.14622	0.8
90.40170	0.8
135.04506	1.4
138.34175	1.0
161.02527	0.9
172.16716	1.1
287.20300	1.8
350.87686	1.1
352.22119	2.4
395.24759	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2591
Annotation	Neurymenolide B
Peak:m/z	Relative Intensity
51.36375	1.6
57.03449	33.7
69.72542	4.3
78.62247	1.4
108.65299	1.6
131.57957	1.5
163.11292	100.0
164.11626	6.9
219.13913	35.3
220.14151	3.0
336.46704	1.7
337.21863	2.3
368.21497	2.1
389.00772	1.7
395.25894	98.1
396.26248	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	395.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
61.04938	1.1
61.98808	2.9
81.50527	1.1
85.06596	2.5
95.31889	0.9
96.27212	1.0
114.26896	1.0
128.80249	0.9
162.27724	1.0
233.18994	1.6
277.18082	2.6
309.20724	32.3
310.21082	3.1
395.28015	100.0
396.28192	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	395.2801
Annotation	12,20-Dihydroxy-19-acetoxy-14-methylenegeranylnerol
Peak:m/z	Relative Intensity
50.74332	1.4
52.52612	1.3
61.98828	3.0
69.32854	1.4
69.53091	2.4
69.53479	3.1
78.64412	1.4
81.07094	3.8
95.53127	1.7
104.45042	1.5
113.05885	1.6
120.05782	2.0
121.23753	1.5
127.23869	1.7
135.11798	2.9
163.11295	30.9
181.12393	1.7
188.36003	1.5
197.71956	1.4
199.13402	44.2
199.15262	3.1
200.13618	3.2
218.03748	1.6
313.17804	1.7
345.24350	3.2
363.25101	1.7
364.48776	1.6
377.26807	2.2
388.20010	1.6
395.27988	100.0
396.28436	10.1
418.30148	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	395.28
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21568	1.4
61.98812	3.7
70.36053	2.5
76.49944	1.4
84.59262	1.2
85.06586	2.2
99.00689	1.4
112.49140	1.4
118.68475	1.4
163.09995	2.6
163.11278	33.5
194.87662	1.3
220.13417	20.9
277.70663	1.7
309.20724	29.5
310.20865	2.6
395.27988	100.0
396.24783	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41897	3.1
56.06983	2.5
59.01384	33.0
61.98845	25.1
62.14212	2.5
64.95245	24.8
65.30621	2.6
69.02031	2.3
69.25372	2.5
70.02982	4.0
71.01387	7.1
71.05025	14.1
71.13219	2.3
71.13616	2.4
74.99093	48.7
88.37051	2.8
98.73181	2.8
99.04511	3.5
101.02469	5.0
101.82521	2.8
104.27361	2.4
120.99637	10.8
128.01749	15.6
129.72894	2.8
141.19147	3.1
145.04404	3.1
146.04634	3.6
146.08241	59.9
148.01706	5.5
149.06047	7.4
161.02376	3.6
176.01155	51.4
177.01782	3.2
191.03508	89.9
192.03821	4.6
217.11917	9.9
219.02980	3.2
234.52782	3.4
238.60938	2.8
275.10690	27.1
277.12289	44.0
309.09451	19.3
337.05652	6.8
397.11075	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	396.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81996	0.4
57.53867	0.5
61.98832	0.7
63.39214	0.4
69.69193	1.6
78.00652	0.4
81.48207	0.4
81.80715	0.4
96.96019	1.0
97.93119	1.1
99.92586	55.8
100.92597	3.0
100.93275	3.2
115.92076	8.5
116.92870	8.0
118.89978	100.0
119.89980	4.0
119.90771	4.5
134.89487	5.2
135.90253	17.9
135.91302	0.9
136.90263	0.9
141.93634	0.8
150.88908	1.0
155.95229	0.6
160.92513	0.4
172.93802	0.5
177.08716	0.4
277.51050	0.4
304.33594	0.5
345.24371	1.9
346.24664	2.4
360.13956	10.4
361.14227	1.7
363.25421	2.2
364.25684	2.8
396.11639	41.9
396.28500	1.0
397.11847	5.7
397.22745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42518	0.5
61.98829	100.0
80.70647	0.5
84.00893	3.1
109.70737	0.6
172.87918	0.5
184.91684	0.5
185.12029	0.6
222.08720	1.0
238.06192	0.9
264.54578	0.7
285.07059	1.6
292.64453	0.6
311.22391	2.0
333.20633	0.9
351.23386	0.7
396.19992	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	396.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21154	0.3
54.42442	0.3
56.76973	0.4
59.01363	0.5
61.98829	100.0
69.74933	1.2
69.75300	0.4
99.18749	0.3
168.77867	0.4
194.79132	0.3
217.00374	0.5
315.19821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
67.12922	0.4
69.62977	1.4
69.63360	0.8
70.39268	0.4
93.48615	0.4
174.84196	0.5
217.00217	0.5
315.19711	1.2
404.05679	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24767	1.1
61.98829	100.0
69.23748	7.0
77.85657	1.0
98.21944	2.2
140.39551	1.4
143.67668	1.1
227.20171	3.6
228.20448	9.5
307.08209	1.3
308.39108	1.0
396.21783	1.5
396.28259	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	396.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07980	0.7
58.23348	0.7
59.01375	4.1
61.98829	100.0
64.60271	0.8
71.01378	2.7
77.56771	0.7
87.00934	0.9
89.02470	1.9
98.21775	1.5
101.02459	2.2
115.87702	0.8
119.03526	1.2
126.55933	0.7
157.60167	0.8
223.99661	0.8
239.11572	0.7
397.13333	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	396.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.8
59.80981	0.6
61.98828	100.0
63.96228	1.5
64.97044	0.5
69.64214	1.5
77.80325	0.5
80.22586	0.5
98.78082	0.5
103.52414	0.6
127.60307	0.5
189.54330	0.5
217.00404	0.6
221.27199	0.6
222.42363	0.5
270.84558	0.5
291.85153	0.5
374.17099	0.5
390.15424	0.5
397.20691	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85661	0.6
61.98829	100.0
68.54871	0.7
70.25352	0.5
70.99078	0.6
75.76189	0.5
87.47852	0.5
90.75809	0.5
131.79288	0.6
149.36153	0.6
202.89909	0.6
205.04054	0.6
228.97673	0.6
251.94643	0.6
272.04672	0.5
354.67496	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.7
61.98832	100.0
69.38384	3.2
84.86333	0.6
92.05679	0.7
96.96001	1.3
135.04321	0.7
217.00142	1.2
261.01672	0.8
268.07285	0.8
272.91232	0.7
274.34137	0.9
296.73260	0.8
392.58942	0.8
402.08505	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06529	1.2
59.01374	3.0
61.98830	100.0
64.77805	1.1
72.40580	1.0
73.15800	1.1
85.25838	1.1
108.35686	1.0
114.39391	1.1
134.97025	1.0
157.58786	1.0
162.13824	1.1
191.72824	1.2
195.61650	1.1
198.81662	1.4
219.45428	1.3
244.62936	1.3
337.23682	3.5
415.92966	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02289	1.0
57.07542	1.1
59.01365	3.3
61.98830	100.0
70.92145	1.4
80.72898	0.9
101.65932	1.1
133.02931	1.2
217.00420	1.6
276.18176	1.0
336.22751	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	396.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98528	1.4
53.99601	1.5
59.01378	15.3
61.98830	12.5
66.91366	1.5
69.48112	3.6
69.48500	2.3
71.01372	3.4
73.02948	24.1
79.28658	1.4
86.08099	1.3
98.21924	3.0
103.04066	2.1
180.96426	1.4
233.19176	3.0
241.86490	1.5
247.20590	2.3
261.22369	3.5
263.20172	25.8
264.20334	2.7
266.03018	1.6
273.22293	4.1
275.20209	4.3
277.21756	14.2
307.19107	2.8
309.24411	15.2
310.24948	2.5
353.23328	100.0
354.23593	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	396.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67783	23.2
59.01368	83.6
61.98828	100.0
69.54173	33.4
69.54572	62.4
69.78230	22.8
107.15739	24.7
122.88091	24.2
130.17828	21.5
133.90756	25.4
214.32698	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
72.06969	80.0
73.80624	80.9
78.74379	74.7
96.67685	82.6
99.78696	80.0
182.05185	84.2
210.08055	86.2
226.53549	75.3
304.14294	78.5
415.09332	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	396.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	25.2
67.04590	15.9
69.55820	54.1
77.16348	16.9
79.95744	20.3
80.40815	17.6
96.96017	37.6
99.92617	24.1
100.85424	14.3
118.89959	55.1
133.36267	16.7
158.48749	18.2
245.78426	16.5
256.24231	18.8
301.21579	28.5
346.24649	53.4
364.25809	100.0
396.28290	20.3
397.22629	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.0
61.98832	12.4
63.94468	2.0
64.95249	25.3
70.02969	6.8
71.01383	4.1
71.05010	16.4
71.41992	1.6
74.00700	2.8
74.99099	58.8
77.39763	1.6
82.02960	2.4
87.05649	4.5
96.96027	1.9
99.04541	4.4
101.02425	3.4
109.02945	2.4
111.05727	2.1
115.00381	2.3
116.07232	1.9
118.98052	3.1
120.99652	16.0
128.01775	23.9
130.03329	5.3
145.04398	4.7
146.08235	83.5
147.05968	2.2
147.08609	1.9
149.06097	11.0
158.81778	1.8
161.02377	2.0
175.03998	1.8
176.01074	1.8
177.01758	4.7
191.03491	2.4
192.03830	5.1
199.09869	2.1
217.00209	3.2
217.11955	12.0
219.02991	3.2
237.04065	6.2
269.50671	2.1
275.05975	2.3
275.10706	29.0
277.03659	2.5
277.12277	45.0
278.12524	2.1
297.10318	2.1
309.09457	23.6
337.05655	6.9
337.18649	6.3
361.15558	2.0
397.11057	100.0
398.11145	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	397.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.7
59.15153	1.1
61.98826	2.2
71.01395	1.8
112.44704	1.1
134.89478	2.4
135.04541	17.3
163.04012	100.0
164.04370	4.0
171.10361	1.5
178.06360	74.6
179.06700	3.7
185.01006	1.5
193.08698	98.4
194.09048	4.8
217.00320	3.0
256.63007	1.6
352.51483	1.3
361.16263	1.8
370.40735	1.2
371.90677	1.2
397.07260	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59254	1.3
54.03350	1.5
59.01372	3.3
61.98821	4.3
69.58181	2.9
69.58561	2.6
80.02688	2.0
80.91676	2.7
81.07088	3.0
95.05021	2.0
98.22669	1.5
98.75080	1.2
107.05068	1.8
109.06625	2.8
110.92792	1.3
125.87251	1.6
135.92407	1.2
137.09697	3.3
159.09720	1.9
169.12350	2.0
191.14377	1.3
217.00249	2.8
271.20645	41.9
272.20972	4.7
303.19754	3.2
315.19635	100.0
316.20038	12.4
397.19904	15.5
398.20523	2.1
418.67444	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95855	0.4
54.30115	0.5
55.99268	0.5
59.01376	0.6
60.39561	0.4
61.98830	1.4
63.09982	0.4
69.03464	0.8
69.38438	1.1
69.38837	0.8
70.24409	0.5
74.43326	0.4
76.86127	0.4
77.14186	0.4
79.95744	12.8
80.96514	0.8
94.98086	1.4
95.95236	2.3
96.96014	82.6
122.97570	4.0
133.85617	0.5
138.97160	0.6
164.46104	0.4
183.17554	0.7
279.23322	0.8
301.21729	5.8
330.63382	0.5
397.22632	100.0
397.33102	3.1
398.22986	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	397.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78009	15.9
59.01372	55.8
61.98822	100.0
63.63097	16.8
69.23099	94.6
130.79179	16.5
215.12872	17.3
229.14418	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22438	2.3
59.01375	5.6
60.22008	2.2
61.98824	11.7
73.02930	3.7
83.05045	6.1
83.08572	2.3
87.97699	2.9
97.06605	6.3
99.08144	2.8
101.06134	3.6
111.04525	17.5
115.07634	5.2
122.03737	2.6
136.05304	3.7
140.04825	9.1
141.05539	6.1
141.09218	16.0
147.12924	2.5
153.12860	51.5
160.77568	2.6
169.12375	6.1
179.10791	33.7
181.12303	8.3
197.11833	22.3
199.13408	100.0
200.13829	5.9
215.12900	6.2
217.00316	5.0
223.20703	4.8
229.14423	17.4
237.14859	3.8
249.18513	3.9
254.85701	3.1
255.16026	50.6
265.18057	2.9
267.19656	64.6
268.19925	6.4
275.16516	8.2
277.18167	3.2
281.17569	7.6
283.19138	3.7
293.17639	17.5
295.19278	3.8
311.18652	41.5
312.18875	4.9
361.23889	2.7
379.24863	23.7
380.25427	4.8
397.10352	11.0
397.25919	31.3
398.26270	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	397.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01714	0.9
61.87449	0.9
61.98827	4.5
69.37605	4.4
71.01358	4.2
85.02959	2.3
89.02501	1.8
107.05019	1.0
113.02458	2.4
134.19897	0.9
135.55035	0.9
176.73894	0.9
189.12859	1.2
218.80727	0.9
221.23059	1.0
243.17642	1.2
337.05197	3.8
361.16537	10.0
394.85287	1.0
397.18326	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
61.98830	3.5
70.50436	1.2
71.26424	1.7
72.24991	1.4
83.05049	1.6
84.04547	21.1
102.05599	1.6
103.00334	1.7
120.01268	8.8
127.09293	1.5
128.03526	2.2
135.11790	1.5
146.04587	2.0
161.02531	2.0
162.02309	100.0
163.02670	2.8
183.01213	2.6
187.97980	1.3
209.02850	2.9
210.03563	4.0
225.05804	6.8
255.04198	1.4
267.16043	10.7
398.17712	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	398.109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	9.9
61.98820	7.5
69.77010	6.2
70.55212	2.1
78.95903	11.9
96.96963	2.6
118.50171	2.2
126.86967	1.9
134.03745	56.2
135.04509	5.4
149.06075	25.2
153.67088	1.8
165.02223	1.7
178.02745	12.7
193.05052	100.0
194.05461	2.7
279.40411	2.2
355.10364	3.0
357.09076	2.6
361.96829	2.2
399.09851	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	398.132
Annotation	Dafadine-C
Peak:m/z	Relative Intensity
60.83323	1.5
62.65538	1.5
69.62844	5.8
73.45271	1.6
93.63194	1.5
99.92587	69.2
100.92592	4.1
100.93322	2.2
115.92074	7.5
116.92857	9.1
118.89980	100.0
119.90012	3.6
119.90778	4.7
121.15680	1.7
134.89465	4.7
135.90263	23.0
154.20490	1.5
171.17581	1.6
329.86066	1.6
333.20645	3.1
362.15616	12.8
363.15714	3.3
398.13190	78.6
399.13345	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	398.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98821	92.5
69.17487	53.8
69.17873	71.8
74.79533	27.1
97.32474	23.2
108.14556	31.6
124.57607	23.3
129.32755	26.2
194.97165	25.3
246.12505	24.5
249.39662	28.5
263.68832	26.1
330.48099	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	71.6
61.12814	9.7
61.98823	100.0
66.27707	10.2
69.75635	8.7
69.92286	33.5
71.01391	24.5
83.01424	10.5
86.63573	11.1
89.02432	18.6
98.15062	10.4
100.14166	10.2
101.02415	20.6
107.37087	9.8
113.29975	9.4
130.09395	10.0
191.24074	11.7
289.77917	9.3
363.18024	34.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1947
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03206	1.6
59.01394	2.4
60.75414	2.0
61.98811	2.5
70.73489	2.0
70.73824	2.5
78.95905	5.7
84.62666	1.6
96.96774	1.9
155.14409	4.7
160.12469	1.6
163.88593	2.1
201.14972	100.0
202.15257	3.9
214.04785	2.4
242.86354	12.5
287.07510	1.7
292.21786	1.6
343.96109	2.1
361.92670	18.9
362.92566	3.7
398.19525	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94530	1.8
59.01376	2.3
61.98831	100.0
66.59100	1.8
70.45625	3.2
71.41054	2.1
77.39096	1.9
85.03808	2.4
99.74078	1.7
121.42848	1.9
175.71373	1.7
262.90994	1.7
352.55173	2.2
411.37137	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	398.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60727	0.8
59.10670	0.9
61.98831	100.0
64.60394	0.7
71.06915	1.2
125.12388	0.9
127.90179	0.8
314.18378	0.8
343.23975	0.9
344.93790	1.0
364.55011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99405	0.5
61.98832	100.0
70.10165	0.5
70.61345	0.6
91.22884	0.5
91.23432	0.6
103.22737	0.6
156.90283	0.6
214.41548	0.4
313.72940	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.218
Annotation	Unknow
Peak:m/z	Relative Intensity
59.69239	0.5
61.98828	100.0
67.33739	0.5
69.54108	1.0
69.54517	1.4
83.75996	0.5
87.10494	0.6
113.58022	0.5
128.14752	0.5
187.05321	0.5
248.73027	0.5
382.20154	0.5
386.99033	0.6
418.01166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14703	8.3
56.02079	7.9
65.42908	8.3
69.45805	19.8
69.46185	16.6
70.02042	8.7
81.04842	7.1
83.69179	7.5
99.92602	63.8
118.89983	100.0
119.90746	11.3
135.90233	19.7
203.92609	8.6
318.55283	8.1
362.15561	16.6
398.13248	80.2
399.13483	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	398.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
69.94001	100.0
69.94337	68.3
247.71945	57.5
316.56296	51.9
323.72049	53.5
343.19199	51.7
411.89319	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98828	28.2
69.62529	7.1
78.86378	2.0
90.15282	1.8
103.00449	3.6
103.01501	76.2
108.03823	2.2
133.90773	1.9
146.75574	2.2
177.25705	1.9
242.66756	2.0
250.13191	2.0
251.07066	3.9
289.18195	2.3
295.06110	33.4
296.06265	3.8
307.19144	5.4
317.04260	3.8
399.10764	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	399.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	4.5
57.03441	14.3
58.00584	4.6
59.01085	5.6
59.01381	100.0
60.85311	3.7
61.98825	38.8
63.45119	3.8
69.29752	6.9
69.30151	20.2
71.01388	35.3
71.97054	3.7
72.99310	73.7
73.02950	5.1
75.00874	52.8
83.01408	5.7
85.02944	10.7
85.98273	3.7
87.00875	64.1
87.04529	18.0
89.02444	20.8
97.02978	14.8
98.03604	3.6
98.21851	6.5
99.00870	18.9
101.02457	13.9
105.01942	13.6
111.00877	9.0
112.98801	15.4
113.02482	4.5
115.00364	6.9
115.04003	8.7
119.03554	6.4
120.90120	3.9
121.02975	18.5
123.00902	25.2
124.01668	6.1
124.98811	4.9
129.01967	12.0
130.99866	67.1
133.03058	4.9
135.03004	92.8
135.04544	7.5
138.03236	40.3
139.03986	11.7
141.01941	21.9
142.99857	26.2
145.01479	4.9
147.03055	4.9
153.05580	51.9
161.02382	19.0
162.03192	4.8
163.04007	12.2
174.01688	8.0
175.04022	6.6
176.04797	12.4
177.01949	16.5
177.05591	9.6
179.03522	16.1
179.05611	3.9
179.07124	4.7
180.04234	8.3
189.01956	14.1
190.02715	10.4
191.03537	13.3
191.07181	12.0
192.04221	11.9
193.05170	4.3
194.05798	16.0
195.06648	14.3
196.03807	7.0
197.04550	42.2
203.03531	13.6
204.04262	6.4
205.05055	11.5
207.06682	10.6
209.08141	19.5
211.06129	13.3
219.02988	13.6
219.10265	5.3
220.03821	7.6
233.00980	10.3
233.04369	5.1
234.05356	8.2
235.06104	7.9
236.06680	4.7
237.07611	8.9
239.05655	4.1
247.02538	10.9
248.03308	16.5
249.07585	7.8
251.05522	5.4
251.09218	7.8
261.00433	6.6
262.04831	9.2
263.05591	46.7
265.07199	10.8
267.08810	8.3
276.02869	4.9
277.07220	45.4
277.12167	4.7
278.07455	5.0
281.06674	13.0
291.05106	5.7
295.08206	67.2
296.08786	6.0
321.05963	8.9
339.10901	6.0
363.16483	5.8
381.08588	5.5
381.74411	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18303	4.2
57.03439	21.6
59.01385	85.3
69.79519	3.9
71.01385	24.4
71.43030	5.6
72.99306	11.3
73.02946	7.3
75.00869	20.9
79.24082	3.9
83.01376	6.5
85.02940	12.3
87.00876	43.2
88.31468	4.0
89.02451	12.8
99.00875	36.5
101.02448	16.9
111.00900	21.9
111.24551	4.0
112.98824	52.3
115.00384	5.2
123.00871	6.8
124.98777	5.3
128.03543	10.9
129.01945	31.4
130.99884	12.6
135.02968	24.6
135.04541	6.9
138.03238	18.3
142.99870	100.0
145.01395	5.9
147.02994	16.3
153.05609	10.1
173.00909	51.5
174.01707	58.4
177.01950	16.9
177.05513	7.2
180.04205	4.2
183.10146	4.3
191.02000	11.9
191.03621	4.3
192.04337	21.2
195.06517	10.8
207.06628	21.4
225.07726	24.5
229.72400	3.9
247.05997	6.4
251.05530	5.6
261.00345	4.5
263.05634	9.7
265.07080	10.1
277.07007	7.4
291.05237	6.9
312.16440	4.5
315.60413	4.5
323.07498	5.3
372.67740	4.1
399.09213	25.5
399.26453	5.2
400.19922	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	399.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67798	1.6
55.01874	1.9
57.03453	13.8
59.01381	40.9
60.01716	1.6
61.98824	7.6
67.01894	2.3
69.03468	1.7
69.80650	4.7
71.01376	20.3
71.32486	1.6
72.99312	61.5
73.02944	2.7
75.00876	43.4
83.01395	4.2
85.02968	8.0
85.31562	1.9
87.00877	100.0
87.04517	5.2
88.01212	1.7
89.02444	13.3
96.96011	1.9
97.02980	3.8
99.00885	7.7
101.02424	8.7
103.00363	2.7
105.01932	5.4
108.99266	1.6
111.00895	6.7
115.00359	3.3
115.04047	4.8
117.01941	3.3
121.02986	5.9
123.00880	12.0
129.01959	12.1
130.99864	39.0
133.02969	1.8
135.03004	84.4
136.03343	1.9
138.03230	22.1
139.04004	5.7
141.01935	13.6
145.01424	2.8
147.03001	6.2
148.07773	1.7
149.02414	2.4
153.02011	2.1
153.05577	24.7
159.04510	1.7
161.02490	8.3
163.04070	1.7
166.02895	1.7
173.02402	1.7
174.01834	1.5
175.04025	1.6
176.04807	4.9
177.01926	12.8
177.09236	2.0
179.03497	6.0
181.05136	1.9
183.58229	1.5
188.20638	1.4
189.01930	7.9
190.02715	4.0
191.01993	3.2
191.03532	8.3
191.07179	5.6
192.04280	12.6
194.05890	4.8
196.03824	2.6
197.04550	25.0
203.03537	6.7
204.04248	4.6
205.01385	4.0
205.05066	7.4
206.05774	1.6
207.06598	7.9
209.08185	8.7
211.06088	8.5
218.05830	4.1
219.02937	7.2
233.00951	6.1
233.04526	2.2
234.05359	5.1
235.06183	5.4
236.07146	1.9
237.07658	3.6
239.05707	2.4
247.02411	7.3
248.03214	13.0
249.07645	5.0
251.09283	3.4
262.04889	5.6
263.05597	38.8
265.07172	6.6
267.08749	4.5
277.07159	29.5
278.07498	3.0
279.05035	2.8
281.06616	12.3
295.08215	41.7
296.08551	2.4
309.06113	2.2
321.06259	13.4
355.11401	1.9
381.08224	5.5
384.12042	2.1
399.09296	3.1
399.14667	9.3
399.19699	2.0
399.26175	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	399.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98832	5.2
71.01393	9.1
71.02110	1.6
73.02953	4.2
81.86731	2.0
83.01377	2.2
84.84093	1.3
85.02924	2.9
87.00913	1.6
89.02463	1.4
99.00984	1.6
101.02470	9.7
107.04996	1.9
113.02452	4.1
122.47730	1.3
126.29942	1.4
157.27155	1.4
161.02390	2.1
161.04587	2.9
162.40488	1.4
277.16562	15.4
296.94885	1.9
319.17596	3.5
320.18295	1.7
345.17047	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	399.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98818	8.5
69.64821	7.5
71.01356	3.2
75.43138	1.8
89.56648	2.0
102.98589	2.0
113.02436	3.3
123.37016	2.0
202.86266	2.1
227.24184	2.0
233.99644	2.0
267.16098	12.4
276.79776	2.0
357.74869	2.2
399.20862	3.4
400.19626	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	2.8
61.98826	1.8
69.71025	5.4
70.98331	1.7
72.67186	1.4
75.00863	2.5
78.41869	1.6
91.21327	1.3
99.15593	1.5
112.50902	1.4
112.51764	1.5
134.74054	1.4
203.52254	1.6
241.96381	1.4
295.48898	1.5
301.21735	100.0
302.22125	10.0
315.95383	1.5
399.14505	2.1
399.19418	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	399.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42856	1.1
59.01367	3.5
61.98827	2.0
62.15971	1.0
64.70296	0.9
70.17148	1.1
83.05029	35.6
129.24657	1.4
155.59740	1.4
163.06433	1.1
273.22372	1.7
317.21204	100.0
318.21600	13.4
327.94794	1.3
399.21497	46.1
399.29178	2.2
400.21957	5.3
415.05954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.8
61.76483	0.4
61.98830	100.0
71.01379	1.7
87.00888	0.7
87.61531	0.5
89.02469	1.0
99.00879	1.1
100.13302	0.4
115.00410	1.1
119.03551	0.9
123.04608	0.4
135.04565	0.9
149.06110	1.5
161.02464	3.2
175.02507	0.8
177.01910	2.6
184.97827	0.5
201.11485	0.4
219.03014	0.6
233.04622	2.0
237.03899	0.6
238.10844	0.5
260.78851	0.4
277.03476	4.7
319.04700	2.5
337.05615	2.4
351.50568	0.4
399.27228	0.5
400.05209	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	400.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
61.98835	59.4
68.67625	7.1
71.01381	56.7
73.02940	9.7
83.05051	8.1
85.02969	7.7
85.37431	7.6
88.43092	8.4
89.02448	35.9
90.66376	8.1
101.02460	20.9
113.02396	14.6
119.03516	17.4
128.03581	10.9
131.01366	7.7
135.04459	11.8
159.52063	7.7
161.04602	14.6
173.09521	9.0
174.39766	7.9
186.96095	7.3
221.11697	8.9
302.29462	7.5
329.81531	8.3
357.15604	21.7
360.27042	9.1
400.20328	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	400.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98829	50.1
69.08188	62.3
71.01390	67.8
73.02953	27.6
85.02967	23.2
89.02459	16.9
101.02451	41.8
113.02470	18.5
119.03505	11.8
120.56545	10.5
128.03542	24.0
159.03078	11.7
161.04564	51.4
174.23077	11.6
251.11423	26.0
252.11771	14.4
348.91187	10.9
357.15530	39.2
386.74255	10.0
400.15796	19.1
400.20392	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	400.1741
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.9
61.98831	100.0
69.40762	5.1
81.07098	1.7
83.05025	4.0
83.22225	1.4
84.00885	3.5
95.05038	3.1
98.08691	1.3
101.98136	1.9
107.05019	4.0
109.06568	2.7
121.02951	3.8
133.98943	1.5
137.09787	1.5
218.82822	1.5
258.58578	1.5
271.20663	29.8
272.20996	3.8
303.19666	4.1
307.88828	1.8
315.19650	41.9
316.20047	5.0
318.21445	4.4
356.18231	2.0
400.12067	3.4
400.17401	71.9
401.17697	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	400.1894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.9
60.00884	7.8
61.98829	78.0
66.11637	6.4
69.59160	21.6
78.18152	6.1
83.05022	47.5
115.92092	6.4
121.02941	16.2
139.05779	7.0
156.58618	6.6
259.20654	8.7
289.12369	8.5
303.19644	84.0
304.19833	9.6
319.22833	100.0
391.87903	8.3
400.19162	25.5
401.23114	42.8
412.99811	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.1
61.98817	29.7
69.15819	20.7
69.16240	32.9
71.01402	12.1
79.95734	19.4
85.02908	9.1
91.03997	17.0
93.58469	7.6
98.22636	13.7
119.03991	8.0
119.04781	10.7
128.84955	8.7
171.10263	11.5
198.12236	14.0
211.13297	13.4
261.22446	8.3
309.20636	11.6
325.03848	8.7
327.21759	100.0
373.66556	10.0
401.20175	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	400.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	47.7
61.98830	100.0
62.67489	12.3
69.40598	32.9
69.41002	35.4
71.01382	31.7
72.32481	12.1
73.02934	14.2
82.92593	11.3
85.02938	25.0
89.02429	15.8
101.02473	15.3
102.12932	11.6
115.11009	12.3
121.02908	21.0
127.09910	11.1
130.27325	13.1
161.00742	14.8
365.19571	20.6
400.23788	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	16.5
60.78232	6.2
61.98832	100.0
69.51683	14.2
69.52093	21.3
74.39527	7.1
81.02515	7.1
88.75491	7.6
95.91896	6.2
98.21885	13.4
125.93945	7.3
129.39194	7.1
135.17009	7.6
166.71594	6.5
281.72809	7.1
347.18604	10.7
353.23389	10.5
389.99997	8.1
395.74384	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	400.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28371	3.6
54.29140	3.0
59.01370	22.1
61.98831	42.2
69.62920	15.4
73.02912	3.8
73.86727	3.8
78.95925	8.8
81.30027	3.6
82.51543	3.8
88.07870	3.4
101.34283	3.4
121.02958	100.0
181.06642	7.3
225.05522	7.6
313.07123	30.8
357.06110	10.1
365.19766	5.0
401.08704	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06726	1.8
50.36290	2.0
59.01115	3.1
59.01380	40.8
61.23704	1.8
71.01383	26.6
71.25798	2.3
72.99302	12.2
73.02952	5.6
83.01402	5.1
85.02950	15.0
87.00884	54.5
88.01225	1.8
89.02448	39.4
92.92828	1.9
101.02437	11.8
106.13017	2.3
106.57917	2.2
108.90210	5.8
110.73139	1.9
110.89931	12.1
111.00875	5.4
112.89642	12.7
113.02436	12.6
118.94223	2.0
119.03520	9.7
123.00935	2.2
131.03522	3.1
133.01447	14.3
135.04556	3.1
138.03287	2.2
142.05096	4.1
143.03395	2.5
148.99138	4.7
149.02370	3.3
151.00227	3.7
152.93690	2.3
154.28682	1.8
154.86046	1.9
159.12059	2.3
161.02444	5.6
161.04619	3.4
163.03999	16.3
164.04807	10.3
165.33641	1.9
166.02711	4.9
175.04007	2.4
176.04823	9.4
176.96237	2.7
177.01930	2.0
178.06358	14.8
179.03563	8.1
179.05597	13.4
179.07150	31.5
181.05106	7.8
187.03983	2.9
188.45468	2.3
188.98181	1.9
191.03481	16.5
191.07111	5.9
192.04256	2.6
193.05029	5.6
193.08755	3.6
194.05835	8.9
203.03557	3.5
204.04221	2.4
205.05064	7.1
206.05801	6.3
207.06610	3.2
209.08273	12.7
219.02956	4.0
221.08261	5.5
231.03143	2.7
232.03593	2.1
234.05286	4.7
237.07521	4.4
247.02470	5.0
247.06201	2.6
248.92062	10.2
249.07645	6.9
250.91957	8.5
251.09169	4.4
251.29532	2.3
261.07874	2.5
262.04858	7.1
265.07175	58.1
266.07452	5.6
277.07129	18.2
295.08218	53.9
295.11282	4.3
296.08624	2.9
324.85123	18.4
325.09323	6.9
326.84921	5.8
341.10889	55.7
342.11371	4.1
355.10410	16.4
383.09979	6.2
401.05664	4.8
401.10913	100.0
402.11374	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	401.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61573	2.6
59.01381	21.3
60.03089	2.6
61.98814	6.0
69.84835	8.8
69.85197	4.1
71.01376	11.3
73.02938	4.4
84.89472	2.7
85.02982	2.9
87.00877	54.8
89.02455	14.7
96.96008	41.0
96.96941	4.2
99.00922	3.0
101.02425	7.9
111.73387	3.2
112.98799	3.4
113.02447	7.6
119.03497	7.8
121.02911	2.9
123.00864	3.5
124.24132	2.5
125.02403	4.1
133.02965	3.2
134.03772	17.6
135.04556	15.4
147.04474	3.4
149.00912	11.3
149.02332	2.9
149.06081	5.2
153.01979	4.2
153.05583	3.8
161.02399	19.3
163.04018	20.0
164.04829	14.7
165.05518	5.0
166.02727	6.2
167.03532	5.2
176.04779	8.6
177.02040	4.6
178.02711	6.1
178.06354	15.6
179.03511	14.1
179.05699	6.8
179.07108	29.9
180.03789	4.7
180.07378	3.0
181.05037	7.6
187.03847	3.6
191.03532	20.4
191.07224	5.0
192.04248	3.5
193.05048	39.1
194.05798	9.3
203.03552	6.6
205.04993	8.9
206.05771	9.6
209.08089	8.4
215.66228	2.8
218.05983	3.9
219.03021	5.4
221.08174	6.3
223.02187	3.2
234.05211	3.1
235.06236	2.7
237.07642	5.6
247.02492	4.5
247.06096	5.8
249.07761	3.7
250.04828	4.0
262.04800	6.6
265.07144	53.5
265.11838	2.9
266.07523	4.5
277.07141	28.0
278.07492	3.6
295.08243	72.3
296.08499	3.9
341.10904	22.2
355.10358	24.0
383.09891	8.1
400.99008	3.7
401.10852	100.0
402.11209	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57815	2.2
56.91505	2.3
59.01379	82.5
70.63218	4.7
71.01386	42.8
72.48598	2.5
72.99319	14.0
74.00101	2.5
85.02966	7.3
87.00892	8.1
89.02447	73.5
89.03001	4.0
93.22285	2.4
101.02437	24.1
104.15130	2.2
113.02447	20.5
119.03513	16.3
131.03545	3.0
133.01469	18.2
143.03520	3.0
151.06349	2.6
161.04550	6.8
179.05647	29.0
179.07149	4.1
188.29878	2.3
265.07111	5.8
341.10880	100.0
342.11014	6.0
350.22757	2.6
401.10739	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06222	2.4
59.01380	71.3
59.77531	2.4
59.94197	2.4
70.55751	4.9
71.01381	38.7
76.64671	3.1
83.01414	2.7
85.02949	13.9
87.00874	7.2
89.02450	54.7
101.02430	20.6
111.00874	4.8
112.89614	2.5
113.02439	18.6
118.84681	2.4
119.03511	16.1
127.80188	2.6
131.03465	2.8
134.03717	2.6
143.03453	7.0
151.00082	4.9
159.88702	2.5
161.04539	6.7
166.97588	3.1
170.04939	2.9
179.05615	19.3
179.07059	4.5
265.07077	6.6
295.08188	4.7
324.84952	3.8
341.10886	100.0
342.11102	5.9
401.10608	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.9
59.74757	0.7
60.38211	0.8
61.98812	2.2
64.17262	0.8
69.34319	3.4
82.16157	0.7
108.04525	0.8
117.11392	0.7
136.04044	0.9
147.55348	0.6
148.01701	0.7
158.04927	0.8
160.04065	0.7
166.02710	1.8
167.03580	0.7
176.01112	2.7
181.05104	1.3
188.03549	2.0
191.03499	2.8
194.02226	0.7
198.04413	1.8
203.03581	0.8
209.04594	2.1
209.07147	1.4
212.07401	3.7
225.06677	1.4
226.03725	3.8
227.08310	2.4
235.06152	1.3
237.10185	0.9
238.05103	0.8
238.08894	0.8
239.04655	3.1
239.08261	1.9
240.05228	5.1
241.06067	5.2
251.08289	2.2
253.06232	2.1
253.09705	1.2
254.06938	1.9
255.07716	8.7
256.08533	1.0
265.09671	0.8
266.08151	1.4
267.04111	12.7
267.07715	5.0
268.04684	1.2
268.08545	1.4
280.04907	1.0
281.05704	2.1
281.09299	6.7
282.06494	2.8
283.07224	7.7
291.07724	1.7
293.05725	2.3
293.09268	1.7
294.06616	2.6
295.07239	6.3
296.07404	1.2
299.06775	1.2
309.08832	11.8
310.08957	1.5
315.09796	4.1
325.08282	1.2
326.10059	1.2
327.09869	1.1
337.08307	8.0
338.08499	1.2
341.11511	2.8
369.10913	29.9
370.11243	2.6
371.11148	0.8
401.13531	100.0
402.13934	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	401.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20490	0.5
52.44181	0.4
53.76221	0.5
60.34925	0.4
69.33569	2.4
79.14418	0.4
79.99076	0.4
83.93077	1.1
84.15596	0.5
84.93871	11.3
85.93925	0.6
95.15842	0.5
95.29552	0.5
99.92590	100.0
100.92605	6.0
100.93367	14.2
101.93329	0.5
107.04977	0.4
115.92077	10.3
116.92864	53.4
117.92885	2.5
117.93601	0.6
121.02959	0.7
154.94400	0.7
182.93970	1.2
195.94717	0.9
196.95445	0.9
210.97072	0.5
233.75926	0.5
268.17047	0.5
271.20621	1.8
282.58975	0.4
293.61844	0.5
301.21643	1.2
302.22333	0.5
305.04919	0.9
320.07288	1.1
339.14310	0.7
342.12711	0.7
357.15137	2.6
371.13324	1.6
383.13004	0.7
389.14359	0.7
401.14240	73.1
402.14499	12.2
405.13541	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01880	5.9
57.03456	7.4
58.00594	1.3
58.75396	0.5
59.01380	92.2
60.01711	0.7
65.49929	0.5
69.03455	3.3
69.22737	2.9
71.01382	100.0
72.01718	1.3
72.99338	3.1
73.02948	31.3
74.91049	0.5
75.00877	1.2
78.36599	0.5
78.95932	0.8
81.03461	2.0
83.01385	16.2
85.02952	39.0
86.00095	0.9
86.03291	0.7
87.00887	6.1
87.04533	1.0
89.02445	51.3
95.01401	4.4
97.02953	4.9
98.96133	0.5
99.00881	11.1
101.02444	78.1
102.02768	1.2
107.05039	0.9
111.00878	11.6
113.02447	32.2
115.04015	3.9
119.03553	1.2
125.02442	10.6
127.04060	0.9
128.01158	0.7
129.01953	2.0
131.03505	28.9
135.04494	0.7
136.27278	0.7
137.02473	1.2
139.03986	0.9
143.03482	6.6
149.04555	15.1
157.46027	0.5
159.03018	4.7
161.04555	34.8
162.04935	1.1
179.03569	1.1
191.05714	3.0
215.05635	1.6
233.06641	8.7
234.06889	0.8
251.09286	1.6
269.10297	70.7
270.10696	3.9
293.08688	3.5
380.89462	0.5
401.14514	69.9
402.14954	6.4
424.21033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62795	1.8
56.61164	1.7
59.01380	100.0
69.71501	1.6
69.71845	6.4
71.01388	3.7
71.36835	2.0
89.02463	5.5
98.21928	3.6
102.58368	1.6
110.83285	1.5
117.37441	1.7
128.29247	1.6
132.69057	1.7
135.52789	1.8
146.03743	19.9
161.06090	3.9
164.04768	12.7
179.05789	2.1
179.07132	54.6
201.79076	1.7
341.10916	5.6
393.49149	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17107	1.1
53.03446	0.9
53.05165	1.0
56.44795	1.0
59.01379	100.0
61.98828	9.2
63.94902	1.2
69.29149	5.7
71.01373	8.4
75.00899	1.2
85.02949	1.5
87.00872	1.9
89.02441	7.8
101.02457	4.4
113.02499	3.0
119.03486	3.0
135.04509	7.4
146.03726	14.7
161.04816	2.0
161.06009	6.8
164.04840	10.3
165.05585	2.1
179.05803	1.5
179.07124	43.9
180.07515	2.0
193.05206	1.2
205.25662	1.2
221.11710	1.4
238.98018	1.5
260.97549	1.1
271.51639	1.2
279.85791	1.3
280.63751	1.3
365.18216	3.7
377.09375	1.4
401.06247	1.4
401.15222	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.9
61.98829	100.0
71.01414	0.9
79.50500	0.5
81.25520	0.6
85.02950	0.9
97.65199	0.6
101.02454	0.9
113.02473	0.7
127.42554	0.6
128.03523	0.7
128.10849	1.0
130.08743	18.5
160.01607	0.9
161.02458	8.7
175.04053	2.5
176.04735	6.0
180.23621	0.5
190.06354	0.8
191.07150	0.6
223.93993	0.7
269.17599	0.6
312.06717	0.8
327.08923	1.2
338.19714	16.6
338.23608	0.9
339.20029	1.6
342.11169	1.5
357.13449	7.8
358.13876	1.0
365.19553	1.3
401.21832	1.7
418.58722	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	10.7
61.88698	9.0
61.98803	17.2
67.60594	8.8
68.67139	8.4
68.77626	9.2
71.44407	13.1
78.43114	8.2
78.95892	30.6
80.16730	12.0
86.35347	8.1
87.52083	9.7
103.40767	9.7
121.02937	49.4
154.36864	9.5
159.34149	8.8
190.69452	10.9
191.32913	10.3
241.63365	11.7
287.11829	10.5
313.07159	10.1
319.22763	100.0
401.08832	22.3
401.22842	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23637	1.0
57.03438	2.0
58.53048	1.1
59.01386	5.8
61.98814	2.8
69.03459	17.7
69.80270	2.6
69.80627	2.0
71.05024	2.3
79.82833	1.1
89.02431	1.2
121.02944	3.8
132.48459	1.3
177.03143	1.1
247.20734	7.1
259.20648	1.7
275.01401	1.3
276.23984	1.2
286.73862	1.1
319.22769	100.0
320.23148	9.7
341.20847	1.5
344.94995	1.2
349.47339	1.4
401.17783	2.4
401.23090	50.2
402.23331	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	401.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	10.6
60.39454	5.8
61.98830	8.0
70.12691	5.2
83.05038	38.1
114.49088	5.9
121.02965	39.8
126.42251	5.5
284.89767	6.5
303.19638	100.0
313.07065	8.1
319.22931	10.9
401.08612	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	401.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84575	0.5
59.01384	4.8
65.10211	0.4
69.68132	0.9
69.68523	0.8
88.54637	0.5
98.08832	0.5
98.22555	0.9
109.80002	0.4
121.02959	0.9
148.11794	0.5
301.21741	0.8
319.22766	100.0
320.23114	9.2
341.20944	1.0
401.23059	58.4
402.23361	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	401.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	0.9
59.01379	4.7
61.98824	3.4
64.05096	0.4
69.03456	17.7
69.89087	1.3
70.03770	0.4
71.05019	2.2
78.95889	0.6
83.04996	0.5
89.44368	0.4
92.81236	0.4
97.13194	0.5
121.02982	2.3
140.05315	0.4
150.26349	0.4
247.20653	7.3
248.21040	0.8
259.20618	2.1
275.23810	1.6
289.09863	0.5
313.07175	0.6
319.22757	100.0
320.23083	9.4
341.21198	0.5
401.23083	54.0
402.23407	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	401.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31945	0.6
57.03449	1.9
59.01380	8.4
59.48819	0.6
59.61928	0.5
61.98820	1.7
69.03456	1.5
69.74026	2.1
71.01393	2.1
83.05038	1.4
85.02962	7.0
89.02451	4.8
91.04011	21.7
95.05028	0.8
97.02951	1.5
97.06606	4.6
111.92425	0.6
119.97009	0.6
125.06113	0.7
125.09747	1.3
126.85980	0.6
127.11288	1.1
128.52557	0.6
135.85965	0.6
137.09717	1.3
146.62090	0.7
154.48668	0.6
155.10793	0.8
164.58852	0.7
165.12817	1.0
167.14444	0.7
171.10269	10.6
177.12793	0.8
183.13901	6.0
185.11824	2.2
193.12335	1.7
195.13951	0.7
209.11821	1.8
211.13408	26.7
212.13739	1.1
221.11798	4.3
229.14456	13.6
239.12914	1.8
241.85739	0.7
291.19669	7.1
309.20718	8.6
310.20935	0.8
327.21759	100.0
328.22159	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	401.2698
Annotation	Dendroidinic acid
Peak:m/z	Relative Intensity
55.01871	3.1
65.56968	2.7
73.21925	3.1
81.03465	4.1
82.02728	2.7
99.04539	37.7
99.92586	8.1
101.03514	2.6
102.33968	3.0
103.05695	3.0
111.30262	2.8
118.03384	2.5
121.02969	14.0
134.29626	2.7
160.43420	2.9
194.28107	3.1
279.09503	2.8
301.21692	13.2
319.22891	12.6
401.09201	3.7
401.14008	4.5
401.26971	100.0
402.27277	12.8
411.69513	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	402.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52033	14.8
59.01378	24.2
61.98832	65.2
69.39783	14.5
69.74043	28.2
69.74435	27.4
71.01351	11.7
91.31338	12.4
91.31980	13.2
98.22531	30.4
100.80057	12.5
102.05611	74.3
105.78999	14.6
112.80553	14.1
121.40112	13.9
128.03551	83.0
144.92918	15.5
160.05325	44.7
162.03252	13.3
171.35352	14.9
175.07617	34.0
177.05600	26.4
178.02687	19.9
186.94455	14.1
193.05009	22.7
194.06042	19.2
206.01596	14.8
273.17004	40.4
329.14096	91.1
358.22379	17.1
402.21454	100.0
403.20663	17.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	9.3
59.01377	100.0
60.01723	12.7
61.98833	45.6
64.01890	5.3
71.01387	99.1
71.42173	10.8
72.01708	15.3
73.02943	44.4
73.10386	6.5
80.48285	5.9
83.01383	23.1
83.65112	6.5
85.02953	49.9
85.47989	5.7
89.02460	33.5
95.01398	7.7
97.02950	6.9
98.85799	6.0
99.00871	8.4
101.02452	70.1
102.02803	13.8
113.02470	34.1
114.02780	7.0
118.89748	6.5
119.03522	13.8
120.08157	13.5
125.02466	9.8
131.03493	6.1
159.03029	7.9
161.04559	54.1
162.04907	23.1
176.04065	6.2
259.07370	6.5
269.10312	38.3
270.10623	92.5
271.10809	6.0
359.17236	18.9
359.27676	6.9
402.14706	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02963	3.8
59.01381	14.1
60.49078	1.4
61.98839	9.7
69.13179	7.3
71.01385	6.2
73.04091	7.0
77.19623	1.3
79.15810	1.2
89.02435	2.2
97.04039	1.5
98.02501	3.2
98.22704	2.5
101.02447	3.1
105.90413	1.4
113.02460	1.6
114.01966	1.7
115.05132	7.3
122.09813	2.3
129.01973	1.8
129.10345	4.0
136.39233	1.4
151.08781	5.5
153.05438	8.4
161.67714	1.3
162.83949	2.3
166.08731	1.7
168.11430	40.8
169.11777	2.4
179.03513	2.0
186.12491	19.9
210.12494	83.2
211.12769	4.0
227.10321	1.6
228.13541	100.0
229.13794	6.3
241.10838	1.6
254.14966	1.5
272.16144	30.5
326.13562	4.2
370.16089	5.3
402.18903	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43996	0.4
55.27367	0.4
59.01376	1.4
59.08850	0.4
61.98819	0.5
69.69349	1.5
78.95905	22.2
79.95728	1.7
83.01374	0.9
89.02399	0.4
96.96001	100.0
96.96951	48.0
97.95994	0.5
98.21979	0.6
98.95614	0.7
109.02934	0.5
116.92857	0.6
121.02948	0.9
123.04444	0.5
125.02444	3.3
135.04433	0.7
148.64734	0.4
149.00911	0.7
149.02415	4.3
151.00365	2.1
151.04004	1.2
153.01936	27.0
154.02240	0.9
161.02402	0.6
179.03381	0.6
181.05121	0.9
206.99600	0.8
208.97662	1.9
223.96353	1.0
248.93181	0.4
249.00813	1.0
250.98709	4.4
343.01630	1.1
354.62070	0.6
385.02216	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.7
56.98109	0.6
59.01380	25.8
60.77607	0.5
61.98818	2.5
70.97743	0.9
71.01386	12.2
83.01387	2.3
85.02964	2.3
89.02444	12.4
95.01365	2.6
101.02442	8.6
108.59368	0.6
109.02969	1.4
111.00884	1.6
112.98809	0.9
113.02442	4.4
119.03529	4.9
119.05024	1.7
121.02949	1.1
123.00888	13.2
127.00371	1.6
131.03558	0.8
136.98802	1.4
137.02437	4.1
138.03235	12.4
139.00383	6.9
145.94632	0.7
151.00404	0.7
152.04839	1.3
153.01918	0.7
153.05576	2.6
162.83955	1.1
163.00316	0.8
165.01949	8.3
166.02669	1.9
177.01932	1.5
178.02322	1.0
179.03516	2.4
180.04271	4.3
183.20244	0.6
193.01414	21.8
194.01755	1.1
195.02954	0.7
195.06573	1.9
207.02962	1.7
208.03770	36.7
209.04031	0.8
223.06120	100.0
224.06438	4.8
281.19919	0.6
321.14618	0.7
368.13541	1.3
401.53290	0.6
403.12360	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	403.1245
Annotation	Theviridoside
Peak:m/z	Relative Intensity
52.84168	1.3
54.04078	1.2
59.01380	22.2
61.98829	10.2
70.04613	1.4
70.34318	2.8
71.01385	11.8
72.99291	1.4
83.01409	1.4
85.02953	2.5
87.00880	4.5
89.02439	8.1
93.03476	2.2
95.01383	6.0
95.60435	1.4
99.00906	1.6
101.02435	7.6
109.02934	3.6
113.02495	3.9
121.03011	4.0
123.00886	12.1
124.01665	2.5
125.02473	9.9
130.08679	1.6
137.02451	6.6
138.03226	22.0
139.00360	6.4
139.04031	14.5
149.02434	2.9
151.03978	2.0
152.04791	4.1
153.01939	4.4
153.05589	10.3
154.02769	1.8
163.00462	2.3
165.01941	26.2
166.02686	2.0
167.03537	1.8
175.00398	2.6
179.03465	3.7
180.00650	21.8
180.04271	21.7
181.01418	7.0
181.04715	1.9
182.02142	3.7
193.01425	24.7
193.05087	2.5
194.02029	2.6
195.02985	58.6
195.06654	6.2
196.03722	13.0
197.04495	3.6
207.03075	4.6
208.03769	30.6
209.04340	4.3
210.05338	1.7
211.06116	19.0
223.06107	98.4
224.06447	4.5
225.04111	5.7
241.07008	2.1
348.40607	2.0
358.08963	8.6
373.11386	100.0
374.11737	7.6
385.11310	22.3
403.12436	64.5
403.17798	2.7
403.99173	2.8
404.12781	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	403.1609
Annotation	Glu Ala Trp
Peak:m/z	Relative Intensity
51.10368	0.7
55.65039	0.7
57.03445	3.4
59.01379	84.7
60.01702	1.3
61.98822	1.6
68.98274	0.7
69.32182	1.7
69.32571	1.9
71.01387	8.5
73.02946	2.2
83.01381	1.1
83.05023	0.9
85.02962	2.1
86.57545	0.7
87.00882	2.4
89.02446	6.9
95.05005	0.8
99.04503	0.9
101.02468	4.5
104.42553	0.9
113.02464	2.8
119.03522	1.9
119.08684	1.8
133.10255	1.0
135.08128	2.1
135.11833	1.7
137.09755	4.5
161.09698	3.6
179.10803	3.5
181.08701	10.2
192.56267	0.7
195.66646	0.9
197.11832	51.3
198.12192	2.8
205.08708	0.8
223.09727	5.2
239.24565	0.9
241.10814	100.0
242.11169	7.7
271.15579	0.7
283.11816	2.1
319.24466	0.8
352.80804	0.7
403.16098	8.6
404.16144	1.0
406.09756	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22534	3.1
55.76092	3.0
58.46418	3.0
58.96699	3.3
59.01368	5.1
61.98829	100.0
64.73566	3.5
71.44114	3.8
93.36449	3.1
125.59589	3.5
140.56409	3.6
156.26041	3.1
242.79041	4.1
304.19928	10.4
318.35083	4.0
319.22824	53.9
320.23166	9.1
321.23492	29.5
324.55051	3.9
403.18918	8.1
403.23666	25.2
404.20468	28.6
407.09879	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	403.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22534	3.1
55.76092	3.0
58.46418	3.0
58.96699	3.3
59.01368	5.1
61.98829	100.0
64.73566	3.5
71.44114	3.8
93.36449	3.1
125.59589	3.5
140.56409	3.6
156.26041	3.1
242.79041	4.1
304.19928	10.4
318.35083	4.0
319.22824	53.9
320.23166	9.1
321.23492	29.5
324.55051	3.9
403.18918	8.1
403.23666	25.2
404.20468	28.6
407.09879	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	403.2257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54363	19.5
59.01353	33.4
61.98829	100.0
69.65294	70.1
72.69122	20.7
73.43367	20.1
98.22562	38.1
99.92595	65.2
135.34608	18.5
145.98453	22.6
167.66872	22.5
168.72250	17.1
195.13918	24.4
214.64044	23.0
239.12959	21.3
262.14612	19.3
313.13382	21.1
357.77130	25.2
403.18170	31.0
404.11624	59.4
409.32855	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30705	32.3
61.98825	100.0
62.67230	31.8
70.49918	60.1
70.50253	39.9
79.19328	33.7
85.12331	32.4
86.95182	31.9
101.31899	33.7
131.01169	42.8
131.67389	32.2
147.51047	32.7
161.58588	34.0
210.50102	37.1
230.62517	29.2
280.30246	34.2
407.04468	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21365	9.6
61.98826	100.0
67.31467	10.8
83.05045	17.1
99.92551	65.9
102.10573	11.4
115.92091	11.5
116.92856	46.4
167.99075	12.0
206.63597	11.7
291.09061	14.3
338.59161	13.0
403.12219	64.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	61.2
61.98826	66.6
69.44759	100.0
97.54670	21.4
194.62103	22.1
207.18542	25.3
403.24667	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50908	0.3
57.03445	1.0
59.01380	10.7
61.98835	5.4
67.75621	0.3
69.38911	1.4
70.83285	0.3
71.01384	1.6
71.05025	0.3
79.95758	0.8
83.05038	0.9
84.02177	0.4
85.02921	0.5
89.02441	4.3
91.04008	19.8
91.41534	0.4
92.04346	0.5
95.05021	0.3
96.96002	1.4
97.06600	0.7
99.08157	5.0
112.09823	0.4
125.09719	1.3
127.11293	2.3
129.09216	0.5
139.11249	1.7
155.10741	0.4
155.14398	0.9
165.12840	0.8
167.10640	0.5
167.14404	1.4
171.10268	6.8
183.13907	6.1
185.11716	0.4
193.12299	2.7
199.13416	0.7
209.11838	1.9
211.13402	35.7
212.13754	2.0
229.14449	18.9
230.14801	1.5
246.39639	0.3
269.17682	0.6
293.21307	2.1
311.22250	8.4
312.22525	0.6
329.23334	100.0
330.23651	8.4
403.14139	0.8
403.26321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.27
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.8
59.01380	6.9
61.98831	19.4
66.41322	0.6
68.49569	0.7
69.33236	2.4
71.01385	1.2
81.68888	0.5
83.05012	1.0
89.02455	3.3
91.04005	16.0
96.96015	0.8
97.06586	0.9
98.21889	1.1
99.08161	5.2
100.22453	0.6
125.09690	2.0
127.11262	3.7
139.11284	9.9
155.10735	1.1
155.94267	0.5
157.12328	1.9
167.14406	0.8
171.10269	26.1
172.10646	1.4
183.13948	2.6
185.11906	0.7
189.44087	0.6
193.12349	1.3
201.11279	1.3
209.11697	1.3
211.13394	20.1
212.13634	0.6
229.14438	11.7
230.14948	0.7
287.05383	0.8
293.21262	1.9
302.30573	0.6
311.22250	8.3
311.25696	0.9
312.22638	0.9
321.17145	0.8
324.40155	0.6
327.21686	3.3
329.23322	100.0
330.23657	9.1
403.14227	2.9
403.18839	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2854
Annotation	6alpha-Angeloyloxynidorellol
Peak:m/z	Relative Intensity
51.66433	0.3
59.98518	0.5
70.33614	0.3
71.29989	0.3
83.05021	4.1
85.02930	0.4
94.93592	0.3
101.06081	54.9
102.06422	1.3
301.21722	10.3
302.22055	0.7
308.38138	0.3
319.22650	1.4
341.81778	0.3
378.78061	0.4
403.28519	100.0
404.28848	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	403.3217
Annotation	3beta-Hydroxy-15-[3-methylvaleryloxy]-ent-labda-7,13E-dien
Peak:m/z	Relative Intensity
50.33265	1.3
54.38121	1.6
58.61164	1.3
61.98829	1.9
71.00224	2.5
93.03445	3.5
104.41822	1.5
106.04238	1.7
112.50385	1.5
117.62493	1.4
123.94215	1.8
144.86938	1.5
157.34088	1.6
330.95346	1.4
359.33176	100.0
360.33542	12.5
403.32147	63.5
404.32339	10.3
408.03934	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	404.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83109	1.0
56.15113	0.9
57.89884	1.2
61.98834	100.0
67.73269	1.1
69.80312	3.5
98.21908	1.6
121.93916	1.3
134.97072	1.0
187.75609	1.2
200.96265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40425	0.5
54.38409	0.5
59.01388	2.6
59.77637	0.4
61.98829	100.0
63.80785	0.5
71.44353	0.7
82.87736	0.5
103.60719	0.5
111.04568	0.6
133.02988	0.9
149.02379	0.9
160.84299	0.8
164.04785	1.2
171.10312	1.2
177.01941	0.7
179.07100	1.2
185.24886	0.5
223.32072	0.5
234.06111	0.5
280.51855	0.6
341.19812	1.0
344.93045	0.5
345.09918	1.2
405.12051	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	404.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32808	0.7
59.01401	0.9
61.98829	100.0
69.03448	0.6
69.35315	3.7
77.55449	0.7
78.02056	0.7
78.36445	0.7
78.52918	0.7
98.21880	1.3
103.43623	0.7
126.66662	0.6
162.20663	0.7
181.65407	0.7
215.61688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00349	0.6
59.01382	1.1
59.71590	0.4
61.98831	100.0
66.88427	0.5
69.56222	2.0
138.37033	0.6
161.34645	0.6
194.41057	0.5
209.11790	0.7
349.05603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23680	0.6
52.99869	0.5
59.01389	3.9
60.29197	0.6
61.90601	0.6
61.98829	100.0
71.01395	1.1
76.47214	0.6
76.67418	0.6
85.02969	1.1
89.02451	1.2
101.02431	1.0
138.90652	0.7
150.91936	0.7
162.57169	0.6
199.13451	1.1
202.18658	0.7
241.46353	0.7
367.21304	2.9
368.21564	4.4
404.19519	0.9
405.21591	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	404.2075
Annotation	Icacine
Peak:m/z	Relative Intensity
54.54219	4.6
61.98820	17.8
72.52921	4.7
78.95888	4.5
81.10534	4.5
83.05022	15.9
95.05021	5.4
99.92574	12.6
100.92637	23.3
100.93208	4.8
101.92398	35.6
102.93161	5.6
107.05022	5.8
111.04548	5.7
116.92860	6.7
117.91945	7.2
117.92802	10.8
118.92625	21.9
119.46988	4.3
159.08122	4.9
186.25015	4.2
189.12766	6.8
213.90999	4.1
215.14372	5.5
217.21992	4.4
243.17567	12.8
285.18500	8.6
287.20145	15.7
315.19464	4.9
317.17514	14.9
331.19037	6.6
347.18713	17.7
360.21558	5.3
404.14716	100.0
404.20724	87.5
405.14975	6.6
405.21207	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	404.229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74078	5.0
56.05712	4.0
59.01365	7.1
61.98831	100.0
69.14825	8.5
69.15228	17.7
78.23076	3.9
95.76778	4.1
149.63483	4.4
171.10275	5.5
187.33942	4.6
203.91666	3.9
305.60101	4.9
313.07492	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	404.229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20198	2.5
52.47194	2.7
56.62913	2.9
59.01378	5.4
61.98830	100.0
67.22588	2.4
69.03439	2.5
69.77986	8.9
72.26065	2.8
88.16290	3.1
98.21797	3.5
137.09384	3.1
147.01984	2.7
186.96550	3.5
194.55580	2.7
312.27008	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	405.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.6
61.98828	10.7
71.01388	2.6
73.02956	0.9
89.02456	2.3
101.02446	2.4
105.39417	1.0
119.03458	1.8
120.04586	1.3
122.06110	1.3
124.70997	1.1
134.06134	1.3
139.19629	1.1
149.06082	1.1
150.05551	1.4
158.45555	1.1
160.04085	1.4
161.04744	2.8
162.05612	3.4
165.05583	2.2
192.06645	1.3
195.06728	1.4
210.09369	1.5
226.05151	1.6
227.06030	1.4
228.06689	2.6
237.06755	1.0
238.07358	2.3
239.08171	1.7
241.07603	1.6
243.11560	1.8
253.09735	2.3
255.07733	3.4
256.06110	1.8
257.06879	2.0
265.06155	1.5
265.09760	4.4
266.07062	3.6
267.07745	9.2
267.11404	5.7
268.09735	2.1
269.09311	1.9
273.08890	2.1
278.06888	3.3
279.07739	2.0
281.06058	1.4
281.09317	31.4
282.09598	3.6
283.10989	5.5
285.12479	9.6
286.10614	1.8
288.13461	1.9
291.07764	1.6
292.08588	1.6
293.09360	15.2
294.09686	1.8
295.07227	12.2
296.08057	13.9
297.08716	3.7
311.10376	100.0
312.10693	7.7
329.11435	30.4
330.11752	2.4
357.13455	1.3
369.11896	1.2
373.10562	7.7
405.12842	6.6
405.21304	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	405.132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89015	11.7
59.01387	100.0
61.14877	11.1
61.98811	22.4
65.05210	10.3
70.44317	9.9
71.01398	24.3
79.05518	17.0
89.02425	14.2
101.02445	17.5
105.95607	13.5
112.98772	12.0
128.03526	12.5
128.40651	11.9
135.04544	19.7
145.10199	44.3
179.03439	23.9
183.10272	14.5
207.10280	92.2
234.05290	13.4
243.12352	27.4
243.15977	28.8
405.20712	19.5
405.25204	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	405.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	99.6
61.58042	17.5
61.98832	45.5
67.77004	15.7
69.03462	28.7
69.58915	56.0
71.01372	23.3
72.99316	23.0
73.02955	22.1
101.02444	21.0
108.18155	15.9
112.98738	18.0
132.61169	18.6
161.02486	19.1
179.03467	24.3
212.81056	17.3
219.06435	60.4
226.29008	16.8
301.20239	19.6
405.16409	31.8
405.21204	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	405.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99801	15.9
57.50805	14.1
59.01382	70.9
61.98837	33.4
69.15405	96.7
71.01379	26.5
73.02943	32.4
73.91763	15.1
83.05657	13.2
85.02941	15.8
93.61465	14.5
108.99155	16.5
109.74084	13.8
139.05653	15.4
140.25835	15.7
150.03116	25.8
165.05557	31.9
183.10344	17.5
189.06635	21.6
189.71295	15.8
191.14369	14.2
195.06737	14.5
305.11615	26.7
367.21265	100.0
384.00800	15.8
405.16632	28.1
405.21228	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	51.7
61.98833	100.0
71.01401	14.6
80.98170	8.5
110.70129	7.6
135.00916	11.8
135.90311	7.6
138.10699	7.5
148.37384	8.5
153.01962	18.7
153.42885	7.9
163.65750	8.1
164.62709	8.5
180.63887	9.5
243.11250	9.2
269.12949	14.7
299.66595	7.5
343.80435	8.3
362.55756	7.6
374.11459	7.1
387.10294	9.6
395.32809	9.2
405.11398	12.8
405.20822	14.7
405.25220	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	405.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.9
59.01381	100.0
59.87326	0.5
60.01704	1.1
61.98825	4.1
64.00037	0.5
69.93360	0.5
71.01379	4.6
73.02958	0.7
85.02975	1.7
89.02451	3.3
92.05954	0.5
95.01423	0.6
101.02429	2.6
113.02448	3.2
119.03528	2.0
121.10266	1.8
122.12094	0.5
161.04619	1.4
179.05661	1.1
183.10265	62.4
184.10658	2.0
207.10353	2.4
210.86670	0.5
221.90076	0.6
225.11395	1.4
226.55779	0.5
237.11391	1.1
243.12381	1.3
265.09848	0.8
267.07922	1.5
267.11459	0.7
268.33545	0.5
281.09286	3.6
282.09784	0.8
283.10962	0.7
285.12439	0.7
293.09323	1.3
295.07419	1.3
296.08221	0.7
311.10413	11.9
312.10974	0.9
329.11292	3.5
343.13187	1.1
345.15527	0.7
361.14215	1.0
373.10434	0.6
387.23907	1.0
394.33115	0.6
405.13065	1.3
405.25208	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.15797	2.3
61.98817	5.7
69.03466	3.4
69.12492	5.6
69.12901	13.3
80.50485	2.3
113.02422	3.0
113.05227	2.2
128.50591	2.4
139.11269	5.7
183.10265	55.7
184.10649	3.2
424.26437	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	405.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06062	0.5
54.09621	0.5
57.03448	10.6
58.00614	0.5
59.01380	100.0
59.15033	0.6
60.01724	0.9
61.98840	1.4
63.98738	0.6
69.28471	3.3
71.01385	2.6
73.02944	0.7
81.27306	0.5
85.02936	0.8
86.32080	0.5
87.00914	0.6
89.02464	1.4
96.96008	1.1
101.02457	2.1
104.47474	0.6
113.02484	2.5
119.03519	1.1
134.09117	0.6
139.11324	0.9
161.02489	0.8
161.04588	2.0
183.10263	47.5
184.10649	2.1
199.13443	0.8
207.10367	1.3
221.06644	0.7
225.11391	1.7
243.12486	1.5
273.17181	0.7
274.20245	2.9
284.52454	0.7
329.11646	0.6
345.15656	2.4
405.17667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33143	5.2
59.01387	9.3
61.98822	5.8
69.03356	6.1
69.94868	11.5
80.91685	100.0
83.18223	4.5
84.02164	4.6
97.02982	5.7
97.06557	7.1
98.21976	7.2
99.92596	25.2
100.25758	5.3
100.93354	6.0
148.74182	5.7
153.09219	7.3
193.08466	7.8
207.10100	5.2
209.11751	18.2
216.51125	5.2
219.09924	12.1
231.09969	15.4
231.12021	5.2
247.09450	19.6
249.11157	62.0
276.09781	34.8
289.18225	9.2
305.17526	27.7
323.18515	8.8
327.15878	8.3
336.09048	6.8
343.40988	5.2
345.17087	48.8
408.56509	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	13.5
60.05782	11.2
61.98838	100.0
71.43905	17.1
90.28562	15.2
94.70039	12.3
96.96000	49.2
125.09725	32.3
126.58273	12.1
135.08136	15.2
178.12593	11.1
193.51961	14.2
199.32394	12.8
201.11337	17.2
213.11342	15.7
287.16534	16.8
305.17581	40.3
384.60742	13.8
405.19449	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87574	7.4
59.01397	8.9
61.98826	38.4
66.91785	8.2
79.95738	48.1
85.62309	8.1
96.96008	100.0
99.92596	9.1
110.63010	10.0
143.05888	8.7
200.39301	8.1
309.45746	8.5
315.26926	8.5
329.51819	8.3
359.05396	13.4
405.06064	22.7
405.19708	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25895	27.9
62.32864	31.2
62.59619	28.5
63.58679	29.3
64.21994	32.6
69.48064	100.0
69.48452	56.1
76.33217	29.2
78.95918	49.7
91.82594	28.7
118.54967	28.5
126.89156	33.2
152.99596	54.8
158.88326	30.0
255.80533	31.3
315.04608	32.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43404	19.3
56.29927	20.1
58.99650	19.4
59.01365	25.4
61.98829	58.1
69.17573	100.0
77.49498	18.5
82.03389	18.5
87.04502	24.9
103.04051	19.0
152.58768	21.3
163.35291	18.4
345.20499	39.0
361.23599	27.6
387.25342	76.7
394.14468	21.6
405.26236	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51332	16.7
51.12235	18.8
59.01371	29.7
61.98833	100.0
68.19484	15.8
69.45995	60.9
71.81075	16.8
77.26011	13.9
77.68900	16.9
80.80019	16.9
90.71298	17.8
95.95234	18.3
96.96007	96.2
117.78854	16.2
122.50926	17.7
125.09720	42.6
128.85747	16.3
201.11333	18.9
209.97224	18.0
278.92233	19.6
305.17654	30.0
307.19113	20.9
363.21753	38.7
369.31158	23.8
405.19754	39.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45308	21.0
59.01381	28.7
59.69501	20.5
59.82320	19.5
61.98814	55.5
64.03209	17.9
69.45753	75.0
83.92164	18.1
87.00872	62.6
96.24150	19.7
103.04018	51.5
106.07584	22.7
116.92849	52.1
140.82745	23.4
265.14777	42.4
268.22418	19.4
356.58585	22.0
369.15042	59.6
405.26306	100.0
412.65683	24.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94867	17.5
55.09537	20.6
59.01371	26.1
61.98816	100.0
71.33130	19.3
83.25780	18.4
94.92516	27.4
100.88316	24.1
135.90443	17.3
356.43069	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44226	13.1
59.01377	18.2
61.93487	13.5
61.98827	29.0
63.60003	12.9
64.74336	10.9
69.19193	84.8
71.27339	12.2
82.77985	12.8
87.04510	100.0
93.59351	12.6
98.22603	25.5
167.17073	13.3
276.39972	12.7
317.21222	38.9
405.26434	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12004	32.1
59.01382	38.9
61.98820	100.0
74.56480	34.3
80.96521	77.6
87.36313	41.8
88.98795	48.7
89.02429	68.8
103.22359	40.4
122.79797	32.0
123.02278	33.2
135.16743	40.4
207.10588	47.5
317.89529	42.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	44.7
61.98819	87.2
65.86820	28.6
68.37831	33.8
70.76763	61.5
73.01201	29.7
87.04509	100.0
115.48077	30.4
135.55258	32.6
152.99565	44.5
153.23795	27.2
366.86874	38.4
405.26376	37.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.9
59.01112	1.9
59.01383	21.2
61.98838	11.0
71.01384	1.6
71.05019	1.3
73.02969	2.6
83.52826	1.4
87.04555	1.8
97.06578	2.2
101.02431	1.6
109.06614	3.0
111.87468	1.4
123.08134	2.6
125.09805	1.4
127.11331	1.9
135.08176	1.7
143.10820	2.4
146.70192	1.1
153.09212	2.3
155.10796	2.7
165.05595	1.3
169.12411	2.0
171.10332	1.4
201.11276	1.4
222.95735	1.1
290.33432	1.3
297.20734	4.0
313.23837	7.5
315.21759	34.1
316.22229	2.8
325.23853	3.5
327.21759	12.5
342.14679	1.3
343.24982	5.9
345.22900	15.2
346.22971	2.2
362.07101	1.6
387.23886	3.7
405.24976	100.0
406.05942	2.1
406.25232	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	405.2644
Annotation	3-Oxocholic acid
Peak:m/z	Relative Intensity
50.86834	2.9
52.62338	3.5
59.01378	21.0
61.20970	2.8
61.98837	3.7
62.52235	2.6
65.21793	3.0
67.01888	28.8
69.24190	10.9
69.24602	6.8
72.96591	2.7
78.95898	5.1
85.02953	10.5
103.04022	12.3
134.14317	2.7
152.99576	7.1
155.76521	3.1
160.74100	2.9
162.31848	2.9
205.17120	2.7
243.44528	2.9
301.21735	15.4
319.22787	48.6
320.22845	4.0
323.22375	5.8
345.20438	10.5
354.39645	3.1
361.23834	50.4
362.24283	3.8
387.25388	100.0
387.30328	6.2
388.25458	6.6
405.26480	55.1
406.26718	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	406.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42107	0.7
59.00895	0.7
59.01375	2.4
61.98824	1.8
62.17233	0.7
72.00907	11.7
79.60622	0.7
81.30614	0.8
82.54616	0.7
88.96373	0.8
91.05567	0.9
103.05607	0.9
136.93080	0.8
147.04532	30.7
148.04903	1.7
164.07181	100.0
165.07512	4.5
167.03711	0.8
195.06732	0.8
241.08328	2.8
259.98334	0.8
305.71625	0.8
308.04523	1.0
341.35110	0.8
367.94519	1.5
369.93719	0.8
406.07712	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1635
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
62.43810	0.4
66.81187	0.5
69.48782	1.4
81.82706	0.4
84.41897	0.4
116.92882	0.5
120.67641	0.4
129.96478	0.3
150.93346	0.4
162.23198	0.3
164.21649	0.4
209.11838	1.6
246.01453	0.3
305.17560	1.2
322.86661	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20956	0.5
52.29359	0.5
61.98830	100.0
65.60216	0.5
66.13539	0.4
67.32946	0.5
69.61815	0.7
69.62173	1.6
99.92598	1.1
111.63153	0.6
115.92120	0.6
116.92883	1.4
128.55557	0.5
181.24345	0.5
288.36166	0.5
291.68726	0.5
338.10559	1.2
346.14200	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88408	8.3
52.98109	10.4
61.98831	34.9
63.38440	9.2
94.02998	26.2
94.95699	8.9
104.03827	14.2
106.01752	13.6
121.04088	37.6
205.22705	10.3
248.56966	10.7
288.19666	55.9
297.19791	31.5
330.12070	11.8
332.18637	55.9
341.18707	32.5
359.19812	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	407.1114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91889	3.0
59.01380	100.0
61.98832	16.0
68.84629	3.7
70.79948	4.3
71.01379	22.5
81.01270	3.5
85.02934	7.8
87.00876	9.4
89.02444	23.5
97.22784	3.9
101.02440	14.3
113.02447	7.7
114.02796	3.8
115.00381	17.7
116.05092	5.7
119.03500	10.2
143.03346	3.2
161.02472	5.1
161.04579	8.2
163.91542	4.5
175.02501	34.4
176.04573	3.6
179.03326	3.4
179.05585	7.1
194.05949	4.2
204.80307	3.3
209.08162	16.2
255.30766	3.5
347.17050	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.8
59.01380	3.1
59.29848	1.4
59.63190	1.5
61.98843	8.0
69.88713	4.1
78.65874	1.5
78.95910	17.7
79.95745	31.7
80.96522	39.9
96.96018	34.2
96.96945	2.3
97.06557	1.9
97.11044	1.4
99.92635	1.5
113.09733	6.0
125.09689	8.7
127.11289	5.2
137.09746	4.5
151.11243	1.8
152.98372	1.6
152.99596	31.0
153.09206	1.6
155.10815	2.8
162.10857	1.5
163.20638	1.4
171.10281	5.3
174.16086	1.6
183.55794	1.9
185.11980	1.8
199.09747	1.6
201.11343	29.9
202.11690	2.5
209.11824	2.1
213.11295	17.8
215.12943	2.6
291.19611	4.0
296.43686	1.9
307.19232	3.5
309.20657	3.5
327.21793	24.7
328.21793	1.8
407.17493	100.0
408.17752	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	407.184
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14260	6.9
59.01382	100.0
61.98830	51.0
69.11600	10.6
69.12007	25.4
71.01382	7.5
90.60941	6.6
101.02458	12.2
128.03487	7.8
134.03764	11.0
134.75772	6.5
135.04515	18.5
162.03293	9.3
165.54276	5.9
192.81056	6.2
194.97902	7.6
275.09238	29.8
407.18176	8.8
427.26114	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	407.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98827	13.2
69.21262	17.1
71.01379	47.3
73.02925	7.6
75.41280	4.3
85.02948	6.2
87.00866	6.5
89.02451	72.0
89.22420	4.1
98.22617	9.8
101.02441	29.4
113.02419	13.0
119.03500	10.3
131.03499	28.6
149.04588	52.3
171.10284	24.6
185.11826	7.2
191.05528	13.9
253.09387	6.3
399.54059	5.1
407.19064	8.0
408.18616	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	407.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
61.98827	13.2
69.21262	17.1
71.01379	47.3
73.02925	7.6
75.41280	4.3
85.02948	6.2
87.00866	6.5
89.02451	72.0
89.22420	4.1
98.22617	9.8
101.02441	29.4
113.02419	13.0
119.03500	10.3
131.03499	28.6
149.04588	52.3
171.10284	24.6
185.11826	7.2
191.05528	13.9
253.09387	6.3
399.54059	5.1
407.19064	8.0
408.18616	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	407.1839
Annotation	Silafluofen
Peak:m/z	Relative Intensity
59.01366	62.6
62.22385	14.4
62.59277	15.1
62.76838	15.4
69.53623	25.3
69.53986	67.3
82.02397	14.5
93.12381	13.8
98.21873	21.7
104.43295	18.2
152.31429	14.1
204.49132	17.7
275.09042	21.2
314.42007	15.2
407.18445	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	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	11.5
69.63876	8.1
69.64264	9.3
71.01373	36.9
73.02946	9.7
85.02950	10.1
87.00880	6.5
89.02448	20.6
101.02441	23.0
113.02460	15.9
119.03516	12.5
138.75304	4.4
154.83112	4.0
161.04579	14.0
179.05655	5.1
249.43135	4.2
347.17114	32.6
407.13660	4.9
407.36526	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	407.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01379	100.0
60.01715	1.3
61.98835	8.6
67.67438	0.6
70.15987	1.6
71.01376	4.7
72.99300	0.7
73.02956	2.1
77.34262	0.6
83.01404	1.4
85.02972	2.2
89.02470	2.1
96.64752	0.6
98.22582	0.8
101.02428	3.9
107.05045	0.8
113.02463	2.0
119.03558	0.8
130.39275	0.6
135.04578	0.7
161.04605	2.1
165.09262	1.0
167.10721	0.7
171.10330	1.1
172.77966	0.7
185.11864	1.7
190.05164	1.0
222.65993	0.6
313.10886	1.4
331.12061	0.7
347.17114	19.0
348.17377	1.2
407.13541	1.8
407.18781	0.8
407.26672	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	407.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47356	0.5
59.01378	100.0
60.01717	1.1
61.98825	7.8
69.03483	0.4
71.01382	14.5
72.99282	0.6
73.02949	1.0
73.77849	0.5
74.41019	0.4
79.16187	0.5
85.02966	2.3
87.00916	1.0
89.02445	23.8
95.01422	0.9
101.02442	7.1
101.03080	0.5
102.38817	0.4
113.02444	7.3
115.00343	0.4
119.03503	10.6
119.04980	1.0
121.03021	0.4
125.02481	0.9
125.69622	0.5
131.03511	1.5
133.02950	0.6
134.45450	0.6
143.03517	2.5
149.04579	1.1
161.02438	0.9
161.04529	3.2
175.02509	2.0
176.99066	0.4
179.03964	0.9
179.05595	9.4
185.02254	0.7
255.02878	0.8
256.03854	0.9
347.17200	2.1
407.07803	1.9
407.19150	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
62.91951	0.7
71.01380	27.7
73.02950	2.0
83.01378	1.6
85.02966	3.1
87.00874	2.6
89.02444	43.7
90.02764	1.1
91.25202	0.9
95.01385	2.4
101.02441	14.1
109.02946	1.7
113.02449	13.1
115.04007	2.1
115.81789	1.0
119.03506	18.2
123.04487	1.2
123.20374	0.9
125.02439	2.0
127.65247	0.9
131.03488	1.6
133.02960	1.2
139.87312	1.0
143.03458	4.7
149.00949	1.2
149.04518	1.9
151.04033	1.1
161.02435	1.7
161.04552	4.0
179.05594	13.1
199.04034	1.6
202.69592	0.9
211.04002	1.9
213.05475	1.5
215.03404	1.2
227.03488	1.7
228.04347	1.9
243.03012	3.0
255.03004	12.0
256.03778	8.8
257.04468	1.5
269.04340	1.2
281.04510	1.4
283.02338	1.1
285.04120	2.8
297.04007	1.6
301.87726	1.0
332.82907	0.9
347.17157	2.3
349.58279	1.0
407.07748	28.8
407.19131	5.5
408.07980	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	407.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95132	0.6
57.03447	4.1
58.00585	0.7
58.02670	0.6
58.44411	0.7
59.01379	100.0
60.01712	0.7
71.01382	22.8
72.99310	0.9
73.02944	23.9
73.03360	1.3
81.59416	0.6
83.01397	6.0
85.02956	5.9
87.00896	1.8
87.04510	4.2
89.02448	11.6
95.01399	1.7
96.96030	2.3
97.06613	1.5
99.00871	4.6
101.02444	23.1
101.03091	1.4
113.02448	14.6
115.03735	0.6
115.07683	1.1
119.03481	5.2
119.05061	2.7
121.02917	1.0
125.02448	38.3
131.03546	1.3
137.02475	1.0
143.03540	2.7
149.00963	0.9
149.04541	1.4
155.03506	0.8
159.10329	0.7
161.02461	10.9
161.04549	11.7
164.01186	1.4
174.45895	0.6
178.05002	0.7
179.03535	0.8
179.05640	2.9
185.11761	0.7
203.12880	6.3
233.13033	2.4
243.06651	0.7
255.03029	0.7
259.11893	2.9
277.13004	1.5
287.05563	3.7
347.17123	7.4
365.18042	3.7
407.07852	2.0
407.19440	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	407.2049
Annotation	Ser Phe Arg
Peak:m/z	Relative Intensity
55.91441	4.8
59.01389	15.3
59.23765	5.8
61.59891	4.5
61.98833	26.0
65.47478	4.2
67.34126	5.5
69.70220	17.5
69.94370	5.3
70.46432	5.5
71.01382	28.6
71.40354	5.0
75.78973	5.1
80.91684	44.6
95.05042	7.8
99.92596	13.1
110.98952	5.5
121.02932	8.1
123.04585	11.2
123.59393	4.8
127.07658	18.2
153.09177	5.6
164.08534	4.9
171.10234	5.6
185.11792	5.5
197.11789	8.5
207.10013	22.4
209.11789	30.7
219.10052	9.1
221.07890	6.7
237.50774	5.9
260.10318	28.9
278.11349	100.0
279.11734	5.9
307.19116	34.4
325.20245	25.3
329.17322	51.1
347.18390	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	6.7
59.01377	75.3
61.98845	13.9
69.41172	28.0
73.32055	7.5
80.91683	72.3
84.44203	8.7
85.02972	8.4
91.12587	7.0
94.37285	6.7
97.31474	7.3
99.04561	7.3
99.92587	30.6
109.06573	11.1
111.08138	17.8
125.09728	23.8
140.05963	10.1
141.09250	9.8
153.09189	8.3
171.10301	14.5
183.56128	8.1
193.08485	13.3
197.11777	11.1
201.11333	58.4
209.08041	9.9
213.11211	37.0
219.10037	20.1
223.09546	100.0
235.09544	26.2
241.09373	11.6
260.10312	23.7
278.11429	39.9
289.17978	13.3
307.19214	29.9
325.20227	92.6
329.17371	44.5
347.18073	29.5
425.60822	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	407.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00905	3.8
61.98821	1.5
69.50873	2.2
72.54799	0.5
119.08676	0.6
153.08340	0.7
244.90649	0.6
259.20712	5.5
303.19659	100.0
304.20016	9.4
336.09607	0.6
346.20233	1.3
364.21280	3.3
371.16302	1.0
381.15033	0.7
407.13062	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
59.84159	0.8
60.00906	6.3
60.46811	0.8
61.98830	4.8
69.78740	2.6
83.05028	31.3
94.74153	0.9
126.05602	1.7
227.36234	0.9
259.20667	4.6
296.39166	1.0
303.19653	100.0
304.20032	9.1
334.20349	1.8
346.20093	5.5
349.23663	1.1
364.21292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99153	0.7
53.01478	0.8
59.01368	0.7
60.00903	11.9
61.98817	1.8
70.95872	1.1
78.34822	0.8
83.05026	44.7
84.05337	1.0
89.02438	1.3
108.04555	1.2
116.36366	0.8
122.99713	0.8
124.66972	0.8
126.05609	10.0
128.43687	0.7
183.90289	0.8
259.20581	2.0
303.19647	100.0
304.19995	9.1
315.71536	0.8
346.20169	18.6
347.20746	2.0
364.21204	4.1
367.73245	0.8
369.92212	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.96779	2.0
71.96754	21.1
78.95917	8.1
86.99107	34.4
88.97024	13.2
97.85062	2.0
105.00153	19.2
109.59614	2.1
128.06541	2.0
146.54886	1.8
152.99600	5.1
171.00639	4.2
183.01073	2.2
301.21768	10.7
319.22760	100.0
320.23129	9.9
407.22571	56.8
408.22955	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45964	5.6
59.01373	23.6
60.84884	5.0
69.86739	12.7
69.87071	7.8
75.00875	20.2
78.95905	22.1
80.02693	6.3
83.05034	18.4
83.15788	5.5
91.68955	5.1
96.96959	12.2
97.93135	6.7
104.29668	6.6
114.93425	14.8
120.10377	5.5
137.09731	24.4
139.11296	6.5
155.10776	22.7
171.10263	36.4
172.20221	5.4
193.12479	6.2
227.05986	7.3
247.20786	6.1
269.07086	16.0
291.19766	41.9
309.20743	100.0
347.15909	21.7
392.71777	5.5
407.17456	21.7
408.25146	10.0
432.17700	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	408.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.1
59.01380	14.3
71.01375	2.9
73.02951	3.0
80.08451	0.8
81.03462	0.6
83.01383	1.8
85.02954	0.6
89.02404	1.6
93.03451	1.4
95.01405	0.7
97.02936	0.7
101.02447	1.9
113.02445	2.1
119.03455	0.7
121.02946	1.6
125.02448	100.0
126.02800	2.5
133.02951	3.0
135.04538	1.2
137.02446	2.1
148.42627	0.7
149.02464	0.9
159.04405	0.7
161.02451	25.8
161.04512	1.4
162.02893	1.9
164.01117	4.9
165.01950	1.6
182.63393	0.8
187.03754	3.3
195.17284	0.7
212.25166	0.7
241.05302	0.7
243.06807	1.4
269.04474	0.9
287.05673	10.9
288.05994	1.3
289.42535	0.8
325.81897	0.8
329.28607	0.7
330.56540	0.8
335.11032	0.7
408.08087	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.101
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94670	9.0
58.33657	9.9
59.01383	19.1
61.11528	9.6
68.29428	10.6
68.71776	8.7
70.36807	8.6
72.52097	10.9
78.32603	9.7
80.17915	9.6
104.79746	10.1
114.98855	22.3
116.31844	10.1
117.00393	16.0
118.31460	11.3
134.04730	83.5
135.21355	9.5
141.00406	24.2
144.99927	27.2
153.72159	10.1
156.99962	14.0
175.97092	11.9
213.02544	28.6
216.03714	33.0
234.04784	19.2
242.00337	10.0
243.02928	11.3
268.08060	12.2
291.30963	9.7
295.78302	10.4
348.08011	100.0
349.07910	14.1
384.54123	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	408.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33318	0.4
59.01383	4.7
60.01725	0.7
60.65119	0.4
61.55525	0.4
61.98830	100.0
62.98525	0.4
64.43071	0.4
69.13445	2.6
77.66850	0.4
79.63765	0.4
125.46557	0.4
152.00977	0.4
152.32468	0.4
157.34821	0.4
161.04482	0.5
202.73380	0.5
223.50995	0.4
229.40338	0.5
313.44733	0.5
408.19424	0.6
409.14978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99402	0.8
59.01384	4.6
61.98832	100.0
90.08665	0.7
105.44756	0.8
121.94463	0.7
171.10277	1.3
172.10576	0.9
177.95609	0.8
267.57172	0.7
272.18777	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
61.77439	1.7
61.98830	100.0
69.82943	1.5
71.13828	2.0
77.32659	1.6
107.76883	1.8
196.90727	1.7
212.27806	1.8
314.56277	1.8
380.32776	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	408.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.22041	0.3
69.56306	1.5
73.55427	0.3
78.95934	0.4
83.26048	0.3
92.92833	0.4
98.22629	0.8
264.27750	0.4
403.38638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03648	11.5
59.87863	12.9
61.98839	100.0
78.95922	13.8
99.92601	14.9
106.97350	11.2
135.43964	12.5
171.10266	18.7
236.06122	13.8
291.19644	93.0
297.75272	13.7
365.23181	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	409.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99598	2.7
59.01378	4.1
62.89457	1.2
70.42017	1.2
71.01379	2.6
71.44297	1.5
72.44716	1.1
72.99300	5.7
78.95901	5.2
85.02957	1.2
85.82693	1.2
87.00880	100.0
88.98814	3.1
92.92804	7.2
94.92499	2.6
96.96964	4.4
102.98599	4.3
108.90204	9.1
110.89919	8.7
111.00871	10.1
119.05029	15.1
120.99612	1.2
124.96465	1.6
127.24548	1.3
131.04645	2.5
133.01450	2.4
140.85141	1.3
142.97528	13.2
154.97607	1.3
163.04004	3.3
166.97519	13.2
168.95444	5.2
179.77188	1.4
184.98604	2.6
186.96481	3.8
191.01927	2.9
210.96529	1.8
215.97134	1.2
228.90747	2.0
228.97568	80.9
229.97890	3.0
289.46106	1.2
310.97568	2.5
344.26962	1.3
387.98401	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77819	1.0
55.01872	3.1
59.01387	4.7
61.98833	1.7
69.03457	100.0
70.03792	1.7
71.01389	1.4
72.99332	1.4
75.99181	0.9
79.01910	2.8
91.99577	0.9
92.16632	1.0
95.01388	1.8
97.02955	20.1
99.00887	24.0
101.02464	1.1
141.01935	6.0
184.55121	1.1
185.00916	55.1
186.01315	2.1
203.01683	1.0
206.70140	1.0
306.84186	1.0
406.69507	1.0
409.11441	4.9
410.11633	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1768
Annotation	Isobrucine N-oxide
Peak:m/z	Relative Intensity
51.22014	0.3
51.88908	0.3
56.36796	0.3
56.93731	0.4
59.01362	0.6
61.98811	0.4
69.03452	4.5
69.39495	0.7
69.39881	0.5
83.27940	0.3
83.88354	0.3
93.03465	0.6
95.01395	0.3
97.02929	1.1
98.21746	0.4
99.00895	1.3
101.84824	0.4
107.05022	0.7
117.03480	1.0
119.05029	100.0
120.05370	3.6
132.05807	0.5
133.02997	1.9
134.03745	56.2
135.04541	31.9
135.05321	0.5
135.05626	0.5
136.04819	1.2
144.04564	0.6
145.02954	4.3
147.04524	0.6
148.05307	2.0
149.06084	32.6
150.06438	1.2
160.01694	1.3
161.02441	0.7
161.06068	1.7
161.12628	0.4
162.03207	0.7
162.05524	0.5
174.05597	0.5
175.02678	0.5
175.04060	1.6
176.03519	1.4
185.00941	2.4
190.05144	2.3
203.02043	0.5
203.78455	0.3
204.06648	3.1
216.10304	4.3
230.08266	0.9
231.09055	0.8
231.11359	0.6
232.09880	0.4
233.12968	1.9
247.10873	7.1
248.11653	2.3
259.10876	34.9
260.11127	2.3
263.14050	0.6
263.22064	0.3
273.08740	3.8
274.09589	12.7
275.10193	1.3
289.11935	31.6
290.12228	2.9
393.14609	1.0
394.15259	0.4
409.17673	37.7
410.17960	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	409.177
Annotation	Isobrucine N-oxide
Peak:m/z	Relative Intensity
61.98817	0.2
70.07400	0.4
72.86485	0.1
78.95884	0.2
91.05532	0.3
93.03474	0.4
107.62392	0.1
107.79890	0.1
117.03505	0.4
119.05032	100.0
120.05359	3.7
138.16499	0.1
144.04558	0.3
145.02934	1.0
162.05620	3.8
163.06041	0.2
172.07689	0.2
174.05623	0.8
213.11305	1.6
244.09779	0.2
245.12947	3.4
246.11330	0.6
246.13478	0.2
261.90662	0.2
263.14056	0.2
289.11942	24.6
290.12259	1.7
409.17697	13.3
410.18185	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	63.2
66.38736	5.3
69.24532	27.5
78.95892	7.5
81.06087	5.2
152.99504	7.9
205.12341	31.2
219.07567	6.6
220.14677	17.6
252.13637	15.1
315.19662	27.8
317.21204	14.4
333.19876	5.2
362.19742	100.0
363.20175	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22906	0.3
56.67386	0.2
61.98830	100.0
78.95920	0.9
80.25095	0.3
84.60965	0.3
92.18047	0.4
99.71429	0.3
111.05538	0.3
152.99623	1.0
191.85773	0.3
254.33110	0.3
263.16559	0.7
349.23846	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	409.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	23.7
59.97038	2.9
61.98829	100.0
71.46208	2.7
78.95905	4.6
107.32785	2.4
151.59247	2.7
152.99597	6.0
337.27930	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	409.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21572	0.6
54.02049	0.5
56.96413	0.6
58.66912	0.5
59.01372	1.1
59.46877	0.6
59.89606	0.5
61.98829	100.0
77.83234	0.5
78.95914	1.2
94.87253	0.7
99.92589	0.9
115.92029	0.7
116.92876	1.4
132.47311	0.6
152.99631	0.8
168.91458	1.0
200.45779	0.6
218.99127	0.7
305.17657	1.9
409.14066	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
59.01381	100.0
60.01704	1.8
61.98832	20.6
68.89328	1.0
71.01385	22.6
73.02943	7.2
80.42805	1.1
83.01393	2.9
85.02959	9.7
87.00896	2.1
89.02442	9.4
95.01423	2.1
99.00865	2.2
101.02454	20.3
113.02453	10.2
119.03517	3.5
125.87105	1.0
136.99901	0.9
143.03459	1.3
149.04573	1.1
149.50705	1.2
159.03008	1.9
161.04561	16.4
179.05626	2.7
187.13394	1.2
240.93671	1.0
277.12894	4.5
292.63870	1.3
305.16006	20.2
306.16373	1.1
331.17731	5.1
349.11569	1.2
349.18655	30.4
350.18958	2.6
409.17114	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.8
57.03450	3.6
59.01377	56.6
61.98830	4.1
63.97088	0.5
68.99815	0.6
69.03456	2.9
71.01379	39.4
72.01723	0.7
72.99311	1.3
73.02945	22.3
75.00874	0.7
83.00869	0.6
83.01383	15.9
85.02953	25.6
86.00089	1.8
86.03288	0.6
87.00865	2.9
89.02449	4.8
92.40589	0.5
95.01400	3.1
97.02956	1.8
99.00876	6.3
99.08185	0.5
101.02448	52.0
101.09740	0.8
102.02769	1.0
103.04005	1.9
111.00881	1.2
113.02452	17.3
115.08790	1.7
118.06669	0.5
119.03515	1.9
119.05035	0.7
120.97964	0.5
125.02451	2.0
128.03584	0.5
129.01965	1.4
130.20822	0.5
143.03467	2.5
145.05078	1.5
147.04521	0.6
159.03017	3.6
161.04562	19.4
161.50375	0.5
163.06148	1.2
164.07155	1.8
164.92767	0.6
198.03506	0.5
203.02026	1.5
205.03439	0.5
229.07054	0.8
247.08185	1.4
263.14984	100.0
264.15289	5.9
307.17508	0.6
349.18619	1.0
409.20752	30.5
410.20975	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47118	7.8
54.69806	8.9
58.10007	7.8
59.01382	24.6
61.98821	35.6
68.00385	8.0
69.35669	8.8
71.43854	9.4
71.44225	9.1
76.29699	8.8
78.95891	13.1
80.91679	28.7
94.22372	10.9
99.92589	13.6
107.76130	8.8
125.09702	15.0
152.99556	22.1
171.10255	16.0
180.18681	9.6
183.53188	10.7
193.08374	20.9
201.11368	68.2
213.11293	32.4
223.09581	92.8
235.09503	37.9
241.09386	18.5
242.48566	10.6
327.21854	100.0
331.18884	61.0
335.22433	9.4
347.89520	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	409.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.8
61.98831	21.2
69.18374	27.6
80.91681	37.5
85.02960	10.3
89.91940	5.0
96.95949	6.1
97.02990	11.0
97.06593	7.4
99.92599	24.1
101.93797	6.0
115.92090	5.6
130.73524	4.8
152.99583	9.3
165.12869	17.5
171.10301	12.9
184.29707	5.5
187.68373	5.6
193.08461	26.2
207.10065	16.2
211.13426	11.7
213.14893	9.1
221.11705	6.5
229.14473	12.2
231.10001	10.2
233.11659	89.6
234.11885	7.6
245.18710	6.3
249.10992	10.0
251.11421	28.6
261.11084	16.2
294.05566	6.8
327.21765	53.4
331.18689	12.5
349.19962	100.0
350.20459	8.9
409.21796	6.6
410.13898	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	409.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.1
61.98824	4.5
69.36469	6.4
71.05012	2.6
78.95900	1.9
80.01652	1.4
80.02682	4.2
80.91681	20.4
83.04989	1.8
84.02167	26.1
96.96020	3.3
99.92603	4.9
100.76044	1.7
100.93394	1.9
106.76670	1.7
125.09706	3.9
127.11302	9.6
135.08119	3.0
137.09717	39.3
152.99512	2.2
155.10782	60.6
165.09019	2.1
165.18956	1.7
171.10269	57.3
172.10625	2.0
193.08458	100.0
194.08862	3.3
195.08847	2.6
223.09470	2.5
237.09804	4.2
253.09319	2.1
258.32562	1.7
327.21765	7.5
331.18738	1.5
341.23453	1.7
349.19638	14.6
350.20239	2.5
373.23380	1.9
409.18878	3.1
416.10358	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2358
Annotation	1-palmitoyl-sn-glycerol 3-phosphate
Peak:m/z	Relative Intensity
52.85429	0.3
54.51693	0.3
59.81595	0.3
67.65864	0.3
69.21986	1.5
78.95905	68.4
85.00420	0.8
96.96967	5.2
103.72734	0.3
150.98053	1.9
152.99588	100.0
153.99895	1.0
171.00684	2.4
241.21758	1.3
255.23286	1.6
261.61331	0.3
395.42612	0.4
409.23596	19.5
410.24005	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	410.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38101	4.6
57.40504	3.3
58.01406	3.4
59.01378	45.4
61.98828	54.9
71.01384	24.0
71.41854	3.2
73.02935	10.6
81.29588	3.7
83.01377	6.6
85.02937	12.1
87.00875	6.9
89.02443	18.6
94.47704	3.5
101.02438	29.2
108.14774	3.6
113.02435	10.5
131.03516	6.4
134.04701	9.3
135.04439	4.1
161.04553	6.0
162.83946	4.3
164.53279	3.5
172.96759	3.3
177.30396	3.7
208.06940	3.5
235.11893	25.0
265.12753	4.6
367.16092	100.0
368.16318	11.1
375.12848	7.6
410.03217	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	410.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51122	0.5
59.01385	4.0
61.98828	100.0
71.01413	0.5
71.41862	0.4
89.02431	0.7
93.35346	0.4
101.69196	0.5
119.03544	0.7
134.18660	0.5
350.18881	0.6
376.70135	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66472	0.5
61.98830	100.0
69.29741	2.8
118.97242	0.7
120.05150	0.7
138.78740	0.6
164.60759	0.6
170.88470	0.7
192.78590	0.6
287.58853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04702	0.8
59.01363	1.2
59.75952	0.8
61.98831	100.0
69.32526	0.7
69.32842	4.4
82.95410	2.2
84.00901	3.6
84.95120	1.9
85.00428	1.2
120.53377	0.9
120.77443	0.9
125.19260	0.9
180.60414	0.9
209.11797	0.9
278.11383	1.1
289.22891	1.0
290.39658	0.8
307.19098	2.5
325.20193	2.6
329.17188	3.2
341.10043	0.9
347.18353	1.8
410.17813	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	410.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42456	1.1
59.01368	1.3
61.41826	1.1
61.98832	100.0
63.48296	1.1
66.70975	1.0
69.54193	4.1
99.06379	1.2
99.70670	1.1
99.92574	1.4
111.00917	1.5
123.62946	1.0
139.74617	1.0
150.02280	1.0
158.06493	1.2
173.95387	1.2
243.17534	1.3
266.40881	1.1
301.04813	1.1
325.20203	7.9
326.20529	1.4
345.70401	1.3
347.18469	3.7
410.17972	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	410.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	1.4
61.98828	100.0
121.71372	1.1
165.28242	1.1
218.53448	1.0
403.81647	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	61.6
60.26580	24.4
61.98820	42.8
63.28403	25.0
69.61674	100.0
69.62014	26.9
94.53056	30.4
126.39472	26.0
134.45723	29.8
185.62711	27.8
337.26569	31.6
337.80658	25.5
350.24054	37.6
423.22766	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22720	5.6
52.18534	6.2
54.75687	6.5
61.98824	15.5
64.80379	6.4
68.22189	5.1
71.42150	6.7
259.20615	6.3
303.19647	100.0
304.20007	7.3
323.56549	6.5
328.19244	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	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70989	27.2
61.27188	28.6
65.78469	28.5
69.38171	100.0
73.68378	31.0
89.39860	27.6
93.56826	33.0
142.15019	30.6
303.19498	34.3
340.37619	29.3
343.12653	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	410.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08220	19.9
61.98834	100.0
66.18132	19.2
70.96365	27.3
79.90746	21.6
108.35069	21.5
155.08556	17.8
164.58591	24.1
203.33238	20.9
303.19763	36.2
316.21411	22.0
330.55865	21.9
356.91605	21.6
357.48810	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10970	16.0
59.28242	17.0
61.98846	18.7
64.77161	17.4
69.24139	100.0
72.95914	17.3
98.21807	23.3
116.92886	17.8
194.61530	20.6
273.14029	23.4
393.09625	21.2
395.08969	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	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02026	18.5
58.91492	16.8
69.37048	100.0
79.64982	19.8
159.89288	19.7
182.46707	21.7
197.05174	17.9
198.62718	18.4
199.42291	21.4
215.98055	16.3
216.88940	21.1
310.01672	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29029	11.7
69.08469	100.0
97.38528	14.2
106.83109	14.0
123.85517	12.4
159.20325	14.2
174.91730	14.0
176.54974	12.7
203.70705	13.1
251.79622	14.2
403.36978	14.3
423.22034	13.8
425.25073	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	411.1268
Annotation	t(6)a
Peak:m/z	Relative Intensity
50.65396	0.8
59.01377	7.3
61.98827	7.4
65.52323	0.8
69.03458	2.7
69.11183	0.9
71.01386	1.9
71.41105	1.1
72.00908	27.3
73.80686	1.0
74.02470	20.5
78.74685	0.8
80.09349	0.9
82.95444	0.9
85.02937	1.9
89.02466	1.7
95.05030	1.6
98.73950	0.9
100.00407	52.2
100.04042	3.5
101.02460	2.7
113.02441	2.3
118.05107	100.0
119.05497	0.9
127.87022	1.2
128.61430	0.9
134.04747	1.3
144.03020	40.1
148.90941	1.1
150.01459	1.1
160.02647	3.3
161.04608	1.2
162.34924	1.0
162.83966	1.1
169.08640	1.1
175.36040	0.9
213.07658	2.3
268.95117	1.1
375.12973	7.4
407.51239	1.0
411.12833	1.7
411.18402	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03453	0.7
58.00577	0.4
59.01380	100.0
60.01708	0.8
61.98831	2.0
69.03452	0.9
70.25080	0.9
71.01381	21.7
72.01758	0.4
72.99321	0.4
73.02949	8.4
81.03461	0.7
83.01377	2.3
85.02957	4.1
87.00876	2.7
89.02447	2.6
93.16267	0.3
95.01427	1.4
95.05058	0.8
97.02944	1.8
99.00884	1.5
101.02440	7.9
109.06605	1.1
113.02455	5.0
113.41203	0.3
116.07207	0.7
119.03498	1.4
123.33390	0.3
124.01665	3.6
125.02457	2.1
127.05133	0.4
128.03514	0.4
131.03514	0.7
137.09731	0.6
138.06850	0.4
141.95056	0.4
143.03514	2.6
147.08191	1.5
149.04587	0.4
152.08435	1.3
153.09222	1.5
155.03568	0.4
159.03012	0.4
161.04590	3.8
161.09682	0.6
163.11293	30.0
164.11626	1.1
165.09218	0.8
165.39752	0.3
167.21977	0.3
169.74532	0.3
179.05641	0.3
187.11357	0.6
189.09215	0.8
203.05637	0.7
205.12173	0.5
207.10287	0.9
210.02209	0.4
225.11310	1.3
231.13943	2.1
237.97717	0.3
249.15001	1.5
273.11194	0.4
287.11441	0.5
298.33209	0.3
351.14304	1.9
369.15536	17.7
370.15820	1.4
373.68835	0.3
374.17087	0.4
375.17453	0.9
411.16556	23.1
412.16861	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	411.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.23131	3.8
57.92580	3.6
59.01378	43.1
61.98542	6.5
61.98835	100.0
70.59186	7.3
73.02963	3.5
125.66762	4.3
137.09697	6.9
168.46300	3.6
171.11464	4.9
197.02184	5.0
213.14977	74.5
376.18741	12.0
411.17706	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	411.2024
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
59.01378	100.0
60.01713	1.1
61.31667	0.7
61.98823	5.0
68.81055	0.8
71.01377	15.3
73.02940	24.2
77.81619	0.6
78.91886	0.8
81.03471	3.3
82.37080	0.7
83.01375	4.8
83.05028	9.6
84.03345	0.8
85.02959	3.7
89.02435	6.5
93.73171	0.8
95.01419	1.3
100.07688	1.8
101.02444	20.2
113.02448	10.6
119.03510	2.1
121.06641	0.7
125.02451	1.0
131.03528	2.5
137.09703	7.5
143.03506	1.4
149.04543	1.3
161.04541	4.0
179.05687	1.0
189.12807	1.0
199.18156	0.8
243.17169	3.2
357.05814	0.9
376.21075	1.1
411.27316	21.7
411.77533	10.5
412.27890	1.0
421.42596	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01724	1.0
61.98832	7.6
70.43835	1.1
71.01382	3.9
73.02944	2.2
77.57331	0.5
82.95421	0.6
85.02977	1.2
89.02444	3.7
96.96030	0.7
101.02452	1.9
113.02462	1.8
119.03498	1.4
121.68454	0.5
128.73030	0.5
216.91301	0.6
275.19684	0.5
307.19055	0.7
321.17075	1.3
327.21893	0.6
351.21826	2.1
411.20035	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
57.03451	0.6
59.01378	100.0
60.01726	1.1
61.77535	0.4
61.98837	1.2
69.31377	1.7
69.31800	0.8
69.34268	0.6
71.01376	15.1
72.99312	0.6
73.02944	21.5
83.01385	4.2
85.02959	3.9
87.00907	0.6
89.02433	5.8
94.65267	0.5
95.01415	1.4
99.00861	0.7
101.02439	15.7
113.02459	9.5
113.06378	0.6
119.03539	1.8
121.06652	0.9
125.02494	0.6
130.86433	0.5
131.03535	1.3
137.09726	6.1
143.03529	0.9
143.93828	0.6
161.04590	3.0
179.05742	0.6
184.84792	0.5
223.92004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95070	0.9
55.01858	0.9
55.66145	0.9
58.74595	0.8
59.01379	100.0
60.01724	1.4
61.98833	2.2
69.03454	0.9
69.17536	4.8
69.50061	1.0
71.01382	16.6
73.02946	37.5
76.57433	0.8
83.01389	6.0
85.02943	4.7
89.02441	8.4
94.37551	0.9
95.01363	1.2
101.02442	24.2
113.02449	10.9
113.69273	1.0
119.03513	3.3
121.47173	0.8
125.02483	1.3
131.03481	1.7
137.09712	9.1
139.63849	0.8
143.03487	1.5
149.04532	2.7
155.03432	1.2
161.04564	5.6
169.10733	0.9
189.12820	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36987	5.2
59.01372	16.0
61.98819	18.3
69.25638	18.7
80.91671	17.8
84.85571	4.8
99.08163	11.9
99.92553	9.5
139.11285	16.6
165.12810	5.5
171.10243	16.6
193.08455	46.0
205.12331	4.4
211.13324	15.3
221.11430	7.6
222.03552	4.5
229.14354	4.9
231.10059	4.9
233.11588	58.5
251.12662	17.2
321.17047	6.4
329.23297	45.4
351.21558	100.0
352.21887	5.6
411.22934	6.0
412.15524	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	411.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02670	0.6
50.51308	0.7
56.94593	0.6
59.01378	100.0
69.16503	4.0
72.92096	0.7
78.90971	0.7
79.98135	1.7
82.13533	0.7
82.79210	0.7
82.88393	0.7
151.58485	0.9
179.22508	0.8
218.01422	0.7
408.29535	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28424	1.1
59.01380	100.0
59.57133	1.1
61.98819	2.3
69.21907	5.9
69.22309	2.7
90.59138	1.5
91.51635	1.1
98.22713	2.3
122.45033	1.3
180.27586	1.1
192.14825	1.1
253.38971	1.6
308.19565	1.2
375.69067	1.4
420.18304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1113
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	19.0
66.60615	2.1
71.44861	2.8
72.64174	2.6
79.98118	5.0
80.25862	2.4
84.64293	2.2
94.92533	4.6
96.96013	26.7
99.00855	4.3
99.92585	73.2
100.92576	3.7
100.93335	4.2
113.89661	2.4
115.92084	14.5
116.92860	16.2
116.96867	2.3
118.89977	100.0
118.95868	2.6
119.89997	5.6
119.90771	7.8
134.89482	27.4
135.90260	24.0
187.99049	2.7
254.69370	3.0
311.22302	4.0
340.11285	11.4
358.12537	18.2
376.09134	3.9
376.13477	33.3
377.13660	7.3
411.23444	2.9
412.11078	28.5
413.11151	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	412.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13554	0.7
56.77571	0.6
59.01378	0.8
61.98830	100.0
67.38457	0.6
68.54622	0.6
82.95424	1.7
84.00920	1.9
84.95135	0.9
85.02285	0.6
162.22238	0.6
201.11325	3.8
204.34187	0.8
213.11342	2.3
241.09462	0.8
274.87106	0.7
327.21747	7.0
331.19193	0.8
406.21191	0.8
412.19476	9.2
413.19849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.67533	1.5
59.01374	11.0
59.37426	1.7
61.98828	100.0
67.59737	1.7
69.12676	10.8
89.02423	2.7
89.86871	1.7
248.26173	1.8
274.72675	2.1
339.08679	2.3
354.11234	2.9
369.68777	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	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01114	8.5
59.01379	100.0
61.98852	5.7
71.01377	8.2
89.02448	12.7
107.90966	6.5
115.58450	5.6
119.05014	8.1
136.71159	5.2
145.02896	7.3
162.83885	6.3
174.61276	6.1
215.12904	6.2
238.27463	6.5
245.27094	6.1
289.91547	7.1
314.85501	6.1
413.16293	7.0
420.88513	6.3
422.83569	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	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74545	0.2
53.35298	0.3
57.05890	0.2
59.01381	2.2
61.98831	100.0
66.17770	0.3
69.79547	1.0
69.79887	0.3
71.01369	0.4
87.00895	0.6
98.21893	0.4
120.37233	0.3
135.04585	0.4
161.02501	0.5
179.03447	0.3
205.16003	0.9
257.19128	0.4
275.20346	0.6
319.93250	0.3
349.20248	4.8
350.20346	0.6
406.75204	0.3
412.19858	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36564	1.2
59.01362	1.2
59.80711	1.3
61.98830	100.0
69.67789	4.6
72.68523	1.3
75.22807	1.2
98.21938	2.9
100.50188	1.2
162.83914	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	412.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
61.98830	100.0
260.15869	1.0
303.87531	1.1
331.19077	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.07541	1.7
73.00126	1.2
119.22889	1.5
132.21515	1.3
135.03903	1.3
162.84137	1.3
251.89279	1.4
386.33499	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	412.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
69.40930	29.1
69.41338	15.9
69.62452	9.2
88.66908	9.4
277.21759	10.4
299.03638	11.3
391.92468	10.9
402.30939	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
64.63102	13.7
72.87537	12.9
77.87150	16.1
99.92568	90.8
104.75093	16.2
107.95099	15.9
115.92014	26.0
116.92838	25.8
118.89967	36.5
134.89426	18.1
135.90253	23.7
137.82651	14.7
218.61478	14.9
251.57489	18.2
301.05310	17.1
376.13434	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	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20455	8.0
60.94666	8.0
61.98824	22.1
65.28528	7.6
71.10807	12.5
74.48696	8.1
77.84931	7.5
96.95998	24.8
99.92595	60.1
115.92031	10.5
116.92886	20.3
118.89992	100.0
134.89481	25.5
135.90283	20.3
181.37784	8.1
200.16788	10.2
265.81049	9.1
340.11441	11.4
358.12357	13.7
376.13416	33.3
388.24902	10.8
412.10977	16.8
412.90839	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	412.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07770	2.7
61.98830	100.0
71.05824	3.0
71.40677	2.9
99.92562	5.7
116.92910	3.0
130.73703	2.7
131.08220	2.9
146.24835	2.6
150.54033	2.8
212.61900	2.8
226.87579	2.8
252.21590	3.0
256.33679	3.0
295.22797	3.2
315.19623	4.6
317.33395	3.1
331.18851	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	413.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	42.0
61.41548	1.9
61.98825	5.3
71.01395	3.0
71.43310	2.1
72.89462	2.0
85.19883	2.1
101.02425	3.2
104.02650	3.9
113.02445	3.2
148.01634	4.6
168.53098	1.9
176.01157	63.7
177.01439	3.6
191.03503	100.0
192.03819	4.0
217.00255	2.5
249.89114	2.0
305.68808	2.1
364.59610	2.0
409.45285	2.1
414.19165	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	413.109
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34571	1.7
55.86885	1.6
58.20990	1.8
59.01378	30.3
61.79797	1.6
61.98818	6.9
71.01385	2.2
71.09187	1.5
82.95410	1.9
85.02911	1.9
87.00873	2.0
88.98939	1.9
89.02443	1.8
96.96024	2.7
101.02408	2.7
113.02406	2.5
119.05028	95.1
120.05350	3.2
128.98943	1.6
129.35689	1.7
148.01625	5.8
156.93912	1.6
163.04012	100.0
164.04376	3.8
176.01160	63.0
176.02687	3.2
177.01553	3.0
177.42938	1.7
191.03499	77.8
192.03804	4.3
211.07503	2.9
251.05540	4.2
289.11911	3.8
295.10953	2.0
297.50754	1.8
325.09192	7.4
346.17715	2.1
382.74799	1.9
395.16263	1.9
403.61673	1.8
413.10773	21.9
413.15649	2.7
414.10904	2.8
414.19086	5.1
429.96851	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	69.4
61.98828	6.9
69.17883	5.9
69.18288	9.1
71.01394	13.1
73.02944	16.9
76.08743	2.1
83.01379	4.1
87.00884	30.0
89.02462	8.4
89.19451	2.8
91.18761	2.5
98.21703	2.1
101.02438	11.7
105.03409	3.2
109.02970	9.7
112.98801	42.4
113.02448	6.9
121.66245	2.2
130.49953	2.7
131.03462	2.9
133.02968	23.7
135.04530	100.0
136.04829	6.2
137.02451	5.6
139.00374	8.2
149.00931	12.5
158.15286	2.7
161.02448	44.1
162.02785	3.7
163.03987	12.3
173.06067	11.8
173.40549	2.6
177.01938	5.6
179.02017	4.4
179.03503	60.4
180.03830	6.5
185.06104	11.2
191.03491	6.6
199.07657	40.5
200.08182	8.3
205.05029	6.8
219.02980	43.0
220.03374	2.8
223.23283	2.8
228.04440	3.1
229.05116	9.3
231.02831	3.1
243.06607	30.9
244.07245	5.1
267.13885	7.2
275.01993	3.8
281.13959	4.4
293.02945	37.8
294.03366	4.5
311.12863	4.9
414.19949	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	413.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.5
57.03440	3.3
58.93926	2.3
59.01381	80.5
69.52190	8.9
71.01382	21.0
73.02953	13.2
81.27742	2.3
83.01396	8.8
85.02948	14.6
94.01920	2.3
98.21926	4.8
99.00890	3.6
101.02439	35.3
113.02440	12.2
119.05009	23.3
134.04684	2.6
141.86859	3.8
142.87633	2.6
143.86545	6.7
147.04518	5.3
148.90994	2.7
161.04588	10.1
163.04004	25.4
164.06006	2.3
164.07153	12.7
179.03632	2.4
179.84203	11.0
189.05629	2.7
207.08749	85.6
208.09178	2.9
217.00278	12.6
326.99362	2.5
353.14551	100.0
354.14862	6.1
413.10815	4.2
414.19839	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	413.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.0
61.98831	9.8
69.20552	1.3
69.20967	1.9
71.80545	0.6
75.05908	0.6
79.95734	2.2
96.96011	96.4
97.95917	0.7
168.69753	0.5
321.17053	1.8
339.18103	0.7
413.20032	100.0
414.20230	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	413.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.4
61.98833	8.7
71.01379	2.9
73.02939	0.7
73.75833	0.4
76.59918	0.5
79.95752	1.7
85.02969	0.9
85.31264	0.5
89.02457	1.5
96.96011	86.1
101.02445	1.7
113.02444	0.8
140.20346	0.4
213.53931	0.4
240.58244	0.5
321.17102	1.1
323.69443	0.5
339.18173	0.5
385.94876	0.5
413.20010	100.0
414.20258	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	413.2181
Annotation	Tentoxin
Peak:m/z	Relative Intensity
55.01884	1.8
57.03445	3.0
59.01380	19.9
61.98828	14.5
67.48112	0.5
69.03458	1.1
71.01383	19.8
71.05054	1.0
73.02938	5.7
75.00879	0.6
79.95760	1.9
83.01399	3.6
85.02955	10.7
87.00877	0.9
89.02445	4.0
95.01408	2.3
96.96013	44.1
99.00904	2.0
99.04545	2.5
101.02444	10.6
101.03098	0.8
101.64137	0.6
102.05639	0.9
113.02452	6.7
119.03531	1.3
129.01947	0.9
161.04602	0.9
161.54482	0.6
185.29250	0.6
197.83521	0.6
233.15570	0.8
235.17026	9.7
241.34874	0.7
249.53526	0.5
251.16508	16.8
252.16997	1.0
273.37497	0.5
285.20773	1.3
347.13965	0.6
387.44907	0.5
413.21573	100.0
414.21768	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	413.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98837	6.8
62.98639	2.1
69.41924	5.6
71.01387	8.1
73.02931	3.9
74.68526	1.8
85.02966	4.6
89.02477	1.9
91.59688	2.0
100.65968	1.8
100.84061	1.9
101.02454	7.9
102.55530	2.0
113.02442	4.1
113.12518	1.8
153.20599	1.9
171.62613	2.3
207.75586	2.0
209.15549	2.8
216.77132	2.4
266.52930	2.3
353.19675	3.0
371.20633	10.5
414.19275	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	413.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70192	0.3
57.03450	0.4
59.01378	100.0
60.01710	1.0
61.98833	1.2
65.37145	0.3
69.49799	0.3
71.01381	5.4
73.02956	2.1
75.06051	0.3
76.66623	0.4
83.01398	0.7
85.02969	2.8
87.00877	1.1
89.02467	1.4
95.01418	0.4
99.00919	0.6
101.02441	3.6
103.28571	0.4
109.02966	0.5
111.00884	0.4
111.09975	0.4
112.98843	0.9
113.02458	2.5
119.03490	0.4
133.02983	0.9
134.03676	0.4
135.04549	3.0
139.00400	0.5
143.47441	0.4
144.66615	0.3
159.03094	0.4
161.02486	2.0
161.04633	1.2
163.04047	0.5
179.03534	1.6
179.60284	0.4
180.06520	0.4
195.10301	0.8
199.13408	3.2
200.08534	0.4
209.15515	0.8
219.02983	1.9
228.74091	0.4
244.07433	0.5
293.03293	1.1
353.19876	1.3
371.20801	4.7
372.21484	0.4
413.21915	1.2
414.19638	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
59.01381	100.0
60.01722	1.1
61.98833	9.0
69.65179	1.9
71.01385	5.6
73.02954	3.2
77.47366	0.6
83.01411	0.6
85.02969	1.3
89.02433	3.3
98.22539	0.8
101.02448	3.3
113.02486	2.5
115.05200	1.1
119.03538	1.0
121.67139	0.6
128.03554	0.9
129.90866	0.5
130.08749	2.0
170.11935	0.6
183.48204	0.6
282.20779	1.9
311.31430	0.6
319.04010	0.6
371.17252	0.6
413.18253	1.0
413.23547	1.6
414.19241	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	413.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01380	100.0
60.01717	1.0
61.98830	1.7
69.03447	0.2
70.11285	0.5
70.11655	0.4
71.01376	4.0
73.02937	1.5
83.01410	0.5
85.02942	1.4
87.00917	0.4
89.02438	1.5
95.01404	0.3
96.96013	1.1
99.00870	0.4
100.99110	0.2
101.02450	2.5
104.33295	0.2
104.57466	0.2
105.01942	0.5
113.02444	1.7
119.03513	0.8
119.05110	0.3
127.04776	0.2
135.04538	0.3
143.03514	0.2
161.02475	0.4
161.04649	0.8
164.63847	0.2
175.18877	0.3
211.73994	0.2
229.23080	0.3
232.58806	0.3
237.52808	0.2
249.76001	0.2
270.05600	0.2
272.36887	0.2
317.13403	0.2
318.85632	0.2
371.20795	0.9
413.21771	3.8
414.20306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10672	0.6
59.01380	100.0
61.98833	9.0
68.94967	0.6
70.84979	0.8
71.01390	2.7
73.02967	2.3
83.01371	0.9
83.27431	0.6
85.02972	1.5
89.02470	2.2
96.96038	2.8
101.02482	1.7
113.02481	0.8
115.57179	0.6
135.04683	0.8
152.52454	0.7
161.02316	1.0
213.81558	0.7
215.55109	0.7
323.18750	0.9
367.21246	0.8
413.19894	3.5
414.19162	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	29.2
61.98823	100.0
70.85123	62.3
72.99289	28.6
78.19933	27.2
79.73774	26.3
82.82965	28.7
88.27207	22.8
88.98806	56.2
89.02449	34.8
89.06136	26.4
90.33345	22.1
138.65820	36.7
150.88680	31.5
183.48074	29.2
232.96669	31.7
278.16003	28.1
283.55695	29.8
299.07159	30.4
301.21570	59.1
305.27847	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21512	0.3
59.01380	100.0
60.01713	0.9
69.23517	1.4
112.98816	0.5
120.89931	0.3
122.77328	0.2
133.02933	0.3
135.04512	1.2
141.13330	0.3
161.02505	0.6
161.80579	0.2
163.03960	0.3
167.22522	0.2
169.05544	0.2
175.04031	0.3
179.03532	0.6
184.75780	0.3
199.07753	0.3
219.03078	0.5
221.72379	0.3
241.85034	0.3
243.06781	0.4
261.18674	0.9
273.18735	0.7
293.03162	0.4
293.21161	1.4
353.23389	4.1
413.18396	0.3
413.25900	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00562	2.0
59.01382	13.9
61.98833	36.6
66.36280	1.6
71.01383	5.5
71.16915	1.9
72.69642	1.5
73.02943	27.5
85.02940	2.8
87.20197	1.7
103.04015	2.6
159.90981	1.8
194.46918	1.9
196.55920	1.8
220.01500	1.7
233.19164	3.4
245.17606	6.7
247.20827	2.1
261.18576	3.0
261.22174	3.8
263.20145	27.8
273.22296	3.5
275.19968	2.6
277.21762	11.9
307.19098	2.6
309.24295	16.9
353.23306	100.0
354.23730	10.6
413.21725	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	413.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
70.93248	2.6
70.93581	2.1
76.38558	2.6
86.23888	2.3
113.19454	2.5
174.76535	2.4
262.74789	2.1
321.68915	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	413.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.78867	1.0
62.31582	1.1
69.52156	4.9
87.70280	1.1
89.02408	1.5
118.05933	1.1
125.37122	1.2
135.00958	1.3
149.10883	1.2
233.24677	1.3
273.11789	1.3
299.95932	1.3
375.79916	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	20.6
60.05152	0.3
67.00395	0.3
70.48911	0.6
71.01368	0.3
72.00905	0.6
72.82805	0.3
72.99319	0.3
78.95926	0.4
82.95411	0.4
84.08199	0.5
87.00885	1.2
96.84395	0.3
107.04984	0.3
108.02182	0.3
109.79122	0.3
112.98775	0.3
117.00424	1.9
118.91399	0.3
121.02937	1.1
121.85130	0.3
127.18055	0.2
128.07198	1.0
130.08740	100.0
131.04613	0.2
131.09111	1.9
133.02954	0.8
134.03763	2.4
135.04527	3.0
149.00960	1.4
149.06096	0.7
150.04185	0.7
150.32341	0.3
157.03564	1.0
159.01476	0.8
161.01152	0.4
161.02429	1.9
172.01071	0.7
178.02721	0.8
179.03496	3.1
188.07809	1.3
193.05035	3.9
201.02556	14.6
202.02751	1.0
210.06235	0.5
212.07681	0.4
228.07329	1.7
230.08830	5.5
231.09000	0.5
238.06834	0.3
243.08389	0.7
272.09900	59.6
273.10092	5.7
282.08606	0.4
284.11005	0.5
293.03119	0.6
299.14600	1.3
301.16235	1.9
302.15872	0.3
309.14105	0.6
354.08533	0.4
354.19431	0.3
414.11151	7.2
414.19659	2.2
414.24570	35.7
415.11099	1.3
415.19681	0.5
415.24872	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	414.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	47.9
61.98821	36.6
89.02450	14.2
104.78323	9.6
105.54179	12.7
112.71598	11.0
113.39220	11.2
117.65142	10.0
131.59152	10.2
132.86124	11.2
134.25378	11.0
141.09383	10.6
153.19972	11.6
176.01155	26.8
177.01471	31.6
191.03450	19.7
192.03778	33.1
414.19220	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	414.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28571	8.9
53.89406	8.9
53.91286	7.4
55.18501	8.5
58.99595	18.7
59.01382	92.9
59.13951	8.8
61.98819	45.4
83.05031	15.5
84.84807	9.7
102.59879	8.2
102.98586	89.0
113.02470	9.2
134.03461	10.7
147.37039	9.7
150.66052	9.8
160.84251	50.2
179.03511	32.3
185.54945	11.3
194.05827	44.0
209.08165	63.9
234.58754	9.4
281.05920	9.0
286.37073	9.5
414.19174	100.0
415.24347	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25912	3.6
58.61842	3.2
59.01377	20.7
61.98831	100.0
65.14124	3.9
68.35193	4.0
71.01367	4.5
71.42500	6.1
73.02939	11.0
106.10690	3.7
110.29279	4.2
114.17320	4.2
114.99061	4.1
119.01041	4.0
159.04048	4.4
167.10756	4.8
168.15152	4.2
195.70763	4.6
414.19186	12.7
415.18396	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	414.2109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10818	0.4
56.47964	0.4
59.01373	0.7
60.03431	0.4
61.98830	100.0
69.24426	2.3
70.53986	0.5
72.84409	0.5
79.95735	4.5
80.96540	0.6
82.95416	1.2
84.00903	1.6
96.44976	0.4
96.96017	2.1
101.65860	0.5
101.92452	0.7
136.17685	0.4
163.00702	2.7
171.10329	1.2
186.09869	0.5
198.21596	0.4
202.61687	0.5
211.13383	0.7
250.94775	0.4
329.23291	5.2
330.23767	0.7
341.23422	1.3
410.25262	0.5
414.21002	12.8
415.17728	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	414.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
69.40319	35.2
69.40705	30.6
71.01369	45.0
71.30302	16.7
73.02943	16.0
89.02447	27.7
90.71640	18.7
101.02432	46.4
101.49603	14.5
102.78565	17.2
110.92598	14.8
113.02444	30.9
131.25482	15.3
161.04538	30.6
210.41447	18.6
331.91602	19.5
371.20673	37.0
414.19235	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32521	0.6
59.01397	0.9
61.98830	100.0
62.43017	0.6
69.42568	3.1
76.07496	0.8
84.02175	2.6
98.22583	1.3
115.23631	0.8
139.15915	0.7
227.14720	0.7
238.62646	0.8
271.20822	1.0
289.21823	1.6
333.20789	2.6
353.77856	0.7
355.18881	4.0
414.19153	1.7
415.20673	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	414.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22142	1.3
55.45634	1.7
59.01371	2.9
61.98829	100.0
62.93323	1.3
73.02951	3.6
96.95983	1.5
117.12806	1.3
122.89439	2.0
125.09707	3.7
156.20866	1.6
168.94701	1.5
171.10277	3.9
187.09639	2.2
260.99777	2.6
263.28638	1.7
414.09943	2.0
414.19199	5.2
415.16272	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	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98830	100.0
70.92611	0.9
76.58310	0.5
83.36678	0.6
102.05590	2.4
112.15547	0.5
121.02991	1.1
128.03546	2.4
128.33531	0.5
128.98460	0.6
142.24521	0.5
190.03726	0.6
194.53343	0.6
285.20834	1.8
309.45737	0.5
335.66321	0.5
414.19583	2.0
414.25171	5.0
415.25247	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	51.0
61.98818	45.8
69.03465	22.2
71.42786	14.5
80.42226	15.7
81.61811	13.9
90.87895	14.6
102.05579	14.2
111.17950	15.1
113.43839	13.9
114.34336	14.3
117.04314	13.4
128.03493	21.7
128.66353	15.2
160.84129	18.3
244.53656	17.4
414.18695	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	414.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81886	21.3
59.01369	61.9
65.10053	20.9
69.48026	100.0
99.83039	21.3
105.59463	19.6
170.96596	21.2
313.04651	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	5.6
57.03441	5.0
58.00615	0.7
58.08421	0.5
59.01379	48.7
60.01715	0.8
61.98805	0.7
69.03458	2.5
69.21782	3.3
71.01380	78.1
72.01721	1.0
72.99320	1.5
73.02946	36.4
75.00883	1.5
81.03455	0.8
83.01390	21.9
83.04998	0.7
85.02950	38.8
86.00105	1.1
87.00883	3.1
87.04529	0.9
89.02452	8.9
95.01384	5.7
97.02950	4.7
99.00874	9.7
99.04510	0.6
100.52382	0.5
101.02441	68.1
102.02789	0.8
103.04010	6.0
111.61515	0.6
113.02447	30.6
115.04015	0.8
119.03499	2.4
125.02443	6.1
127.87034	2.0
129.01993	1.4
143.03499	4.4
145.05061	1.5
152.99474	0.7
159.02982	8.7
161.04556	54.9
162.04866	1.6
163.06158	3.3
164.83594	4.3
200.80757	0.6
205.03520	1.5
229.07224	2.3
231.18126	0.7
247.08142	4.0
269.10294	100.0
270.10675	6.6
307.10251	1.0
309.23007	0.6
312.51398	0.7
385.76953	0.6
415.16028	36.1
416.16132	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	415.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.3
61.98830	3.1
69.49387	1.8
69.49795	1.1
73.02894	0.6
74.51756	0.5
79.95737	41.7
80.96516	9.6
90.89112	0.5
95.95232	2.1
96.96014	17.7
98.76036	0.6
114.60805	0.6
180.01022	0.6
228.83607	0.5
231.89986	0.7
261.22238	1.0
334.85968	0.5
385.16904	19.4
386.17203	1.8
415.17981	100.0
416.18298	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	415.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
69.03481	3.6
70.10236	4.0
70.10589	2.6
71.01382	42.2
71.01775	2.1
73.02948	83.8
77.43823	1.9
83.01390	21.7
84.14582	1.7
85.02957	7.8
87.00874	2.5
89.02450	16.4
98.22647	2.3
99.04462	1.9
101.02449	61.0
113.02463	13.5
119.03498	5.4
119.22308	2.2
131.03511	2.4
143.03511	4.4
149.04575	3.1
155.03499	2.1
161.04544	12.9
193.12318	11.8
196.55840	2.0
209.11839	5.1
229.92543	1.8
341.19708	2.4
355.17279	2.5
373.18445	9.3
415.19647	34.8
416.20160	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	415.1973
Annotation	6-Acetoxy-7-hydroxymyrcene-7-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01867	0.9
56.12847	0.7
57.03438	2.3
58.00597	0.7
59.01379	61.6
61.98812	0.9
69.03458	4.4
70.63338	1.0
71.01381	24.7
72.99307	1.1
73.02933	2.1
83.01378	1.8
85.02946	6.3
89.02444	19.2
95.01389	2.7
96.95983	0.6
97.25304	0.6
99.00880	0.8
101.01785	1.3
101.02441	20.6
102.07940	0.5
102.98595	0.7
113.02443	7.9
115.04004	8.6
119.03506	6.8
119.08636	1.0
123.08172	1.0
134.17107	0.5
135.04503	0.6
161.57181	0.6
167.07169	0.9
173.13330	3.6
217.12238	0.9
223.97079	0.7
235.13399	3.7
253.08601	0.7
253.14534	0.8
273.15445	0.7
333.63754	0.7
397.18707	4.7
415.19711	100.0
416.19907	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	415.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16703	0.5
59.01380	100.0
59.56694	0.5
60.01709	1.0
61.98826	2.1
63.32385	0.5
66.58859	0.5
67.02770	0.6
71.01392	0.8
73.02970	0.6
85.78781	0.5
96.96011	9.0
109.83527	0.6
120.03511	0.5
141.57736	0.7
145.92896	0.6
162.84064	0.7
164.83768	0.6
329.27148	1.2
336.82169	0.6
365.78830	0.7
415.21881	11.4
416.22150	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43998	0.3
74.99096	8.0
77.00666	77.6
78.01009	0.6
96.95993	0.5
99.92575	0.6
113.95203	0.3
117.25237	0.3
118.39238	0.3
118.89968	0.4
146.07378	0.4
147.08098	1.8
148.08386	0.3
149.09756	1.8
160.08864	0.5
161.09721	1.1
163.11276	2.2
166.01804	0.3
187.11270	2.7
265.12280	0.8
279.13806	1.1
280.14618	1.4
307.17078	1.0
309.16864	0.3
309.22235	2.2
321.18744	0.4
322.19171	0.6
337.21722	100.0
338.22061	10.1
415.11636	0.5
415.23126	17.2
416.23502	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01728	0.6
60.33509	0.5
70.67276	0.7
75.86943	0.5
100.46718	0.6
208.53615	0.7
312.65988	0.7
415.15549	2.1
416.16608	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.9
61.98831	100.0
65.51440	0.4
69.62914	0.5
69.63258	1.4
71.01364	0.6
78.91940	0.4
98.22617	0.8
119.03474	0.4
119.38792	0.3
137.28062	0.4
196.63518	0.4
233.43718	0.4
242.21013	0.5
254.08192	0.6
430.82925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14218	28.5
50.34619	27.1
69.63937	100.0
69.64302	47.2
98.22632	52.5
100.77197	25.0
124.34454	27.8
236.14822	32.6
316.57181	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	416.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.4
61.98835	0.9
65.02946	0.6
69.72240	1.2
69.72578	1.0
71.99900	0.5
93.03490	0.7
111.05999	0.6
118.02999	5.3
153.05608	0.7
160.04060	2.5
167.03514	1.4
192.08014	0.7
201.74805	0.6
226.08582	0.7
227.07117	3.1
239.05824	2.2
252.06653	2.4
254.08223	100.0
255.08536	7.8
389.57684	0.6
416.13574	7.7
416.19296	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1845
Annotation	Pistillarin
Peak:m/z	Relative Intensity
58.78466	13.7
59.01370	17.5
59.84127	13.4
61.98813	70.2
78.12916	13.9
82.25772	15.4
89.47276	18.0
100.22124	13.9
138.29459	14.3
138.42537	16.8
175.02229	13.1
263.16501	49.3
319.19333	19.9
331.18863	19.3
354.43539	16.5
380.21085	18.6
416.17389	100.0
417.05374	18.9
417.22751	56.2
443.76825	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02206	4.0
54.49686	3.9
57.03447	4.9
59.01359	16.4
60.00892	5.3
61.98835	24.3
70.75258	6.7
78.91875	17.2
80.91680	42.5
83.05025	23.9
103.23829	3.9
105.57886	4.0
116.92835	8.2
117.74728	3.6
162.92938	4.7
189.94431	3.7
242.18974	6.2
257.19012	4.6
261.22232	54.1
273.22256	26.1
275.20135	10.5
288.19778	20.0
289.21747	11.6
291.23325	8.4
301.21683	5.1
303.19638	11.1
319.19119	81.2
320.19470	5.1
327.19397	28.5
332.18710	42.8
333.18915	7.5
335.22260	68.3
345.19800	3.9
350.19778	5.1
355.18680	14.1
357.20471	100.0
362.19434	5.7
401.19009	7.4
416.18484	30.1
417.22586	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60385	14.6
59.01369	97.0
61.98838	89.8
61.99090	14.9
69.28649	86.6
75.07505	17.0
78.75366	18.5
80.33833	16.8
84.95157	14.5
96.00814	16.4
101.13950	17.9
151.00412	18.8
162.83868	26.6
166.02718	70.1
171.49265	15.9
181.05107	100.0
198.68504	16.2
402.13449	31.9
417.15097	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
61.98826	22.8
192.40599	19.9
272.40399	18.4
348.87354	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98819	29.0
68.66938	8.7
69.10482	56.6
69.44793	8.8
71.01376	16.8
76.50257	7.8
80.33073	8.7
88.05905	8.4
99.24500	8.7
101.02464	10.1
175.09882	9.8
183.12488	8.8
213.97881	9.8
232.11197	11.9
306.48563	9.6
405.31326	9.6
444.93500	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	416.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69366	14.2
56.41430	14.4
59.01374	64.5
61.98832	100.0
69.42509	58.6
101.02442	12.8
142.01825	12.3
160.25533	14.3
215.76572	16.4
296.51123	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	416.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27913	7.2
59.01382	100.0
61.98829	24.2
67.18134	6.3
69.32906	22.6
69.33305	17.0
71.01375	14.9
73.02965	18.2
77.78613	8.1
83.06561	7.0
85.02920	8.9
92.88325	7.4
96.41425	7.8
98.22704	7.5
101.02427	14.2
106.55610	7.1
137.02344	6.9
151.00348	11.9
162.83963	9.2
166.02739	37.6
181.05081	55.5
306.00681	7.3
408.35834	7.5
417.15436	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	416.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39712	0.5
50.47079	0.4
58.35468	0.4
59.01075	0.7
59.01378	13.9
61.32304	0.5
61.98830	100.0
66.56739	0.6
71.01403	0.5
71.03440	0.4
71.23375	0.6
111.08176	0.6
125.09711	0.8
223.84007	0.5
296.96399	0.5
346.28967	0.5
403.12598	0.5
417.21536	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2654
Annotation	(-)-Sphingofungin E
Peak:m/z	Relative Intensity
51.14844	0.5
59.01382	8.4
60.01723	1.0
61.98835	3.5
66.77598	0.6
74.02493	1.3
84.04549	9.3
85.02934	0.9
100.04066	1.1
100.07679	1.0
102.05612	53.1
103.05970	0.8
113.09744	1.7
125.09692	1.4
128.03542	61.8
129.03841	1.4
143.10820	1.1
146.04619	8.5
167.09639	0.6
177.41547	0.6
184.17033	3.1
212.16730	1.4
212.69795	0.7
226.18048	0.7
266.21213	1.7
266.66602	0.8
269.21265	2.5
280.26743	0.9
285.20804	0.7
287.22284	50.6
288.22592	3.7
326.26987	3.2
328.28540	0.9
372.27582	9.1
373.27945	0.8
398.25452	9.5
399.25912	0.8
416.26553	100.0
417.26862	10.7
422.09949	0.6
428.04218	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.9
60.79488	1.6
61.73307	1.7
70.80051	1.7
71.01376	6.2
78.95911	10.9
79.95760	2.0
85.02950	2.6
96.96017	35.5
96.96951	22.6
96.99299	3.9
97.93135	3.2
98.02486	4.1
112.98817	2.4
113.92583	2.4
115.08778	2.5
116.05054	4.0
128.03572	3.9
129.01936	11.7
130.08737	2.9
132.04572	6.1
132.98228	2.7
135.04530	2.4
144.04556	36.6
146.06125	12.0
158.06233	2.0
162.05719	2.0
171.05637	2.3
172.04041	2.2
181.05171	1.9
189.06715	11.9
195.99330	6.7
199.99515	1.8
206.01321	4.2
215.99799	2.0
218.01396	3.1
220.02847	2.7
224.83136	1.7
227.01439	6.7
229.02943	3.8
230.01387	4.4
232.02876	6.6
234.04446	3.6
239.01326	2.6
239.98141	8.4
241.97520	2.0
243.00850	11.9
245.02441	40.8
246.00752	2.9
248.02385	14.3
254.01453	2.3
254.82974	1.9
255.00937	2.9
259.00464	2.6
259.04019	8.9
260.02359	30.5
262.04019	12.3
269.02469	5.4
272.02408	11.3
274.04053	4.3
276.01910	2.7
286.03998	2.2
287.03503	100.0
287.06161	3.9
288.03809	3.6
297.05463	4.2
299.03503	6.9
301.01459	23.8
303.03012	7.3
313.05161	4.7
315.03055	3.2
319.09314	6.5
325.01297	4.2
339.03012	2.7
341.04526	46.2
342.04877	2.5
343.02628	9.3
357.04050	29.1
381.00620	2.4
385.03519	26.8
386.03558	3.5
386.24725	2.0
399.05161	3.2
417.06174	81.2
417.14771	3.6
418.06558	6.6
436.52911	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	417.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	41.1
61.98833	100.0
69.70316	17.6
69.70667	18.2
71.01354	14.9
89.02443	10.1
101.02399	9.6
104.69662	7.8
109.02953	50.8
131.70322	7.8
223.80582	8.7
230.48529	8.1
271.50983	9.5
322.69006	8.4
417.15448	32.9
418.67371	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38027	0.6
51.24440	0.5
55.01869	1.0
57.03448	1.1
59.01381	100.0
60.01721	0.7
61.98834	9.7
71.01384	23.4
73.02946	10.1
83.01414	2.0
85.02950	10.1
87.00912	0.9
89.02464	2.2
95.01398	1.9
97.03007	0.7
99.00891	3.5
101.02444	16.5
101.03091	0.9
102.05606	0.7
113.02457	9.2
114.02839	0.6
114.51743	0.5
128.03575	0.9
143.03520	1.7
159.03021	2.7
161.04567	36.7
162.04872	0.7
165.09193	4.6
215.86186	0.7
229.14494	0.8
357.15561	22.3
358.16049	2.2
417.17807	2.1
418.21133	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.5
69.44839	1.2
69.45311	1.2
69.69013	0.7
75.00864	1.6
78.95901	4.5
85.58619	0.5
94.47314	0.7
96.96968	9.3
97.93129	6.8
98.93909	2.3
113.92645	3.6
114.93444	3.8
126.85888	0.5
132.98198	1.5
136.03963	0.5
189.70152	0.5
262.39655	0.5
301.21671	1.7
319.22763	100.0
320.23135	8.6
328.82935	0.5
373.13510	1.1
391.22086	0.8
399.14758	2.4
412.63004	0.6
417.15747	14.3
417.20117	11.8
418.15527	0.7
418.20267	1.5
431.13773	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50124	0.7
57.03436	0.7
59.01385	3.2
61.98822	1.0
65.26234	0.5
69.03455	13.9
71.05022	2.1
75.00879	1.4
78.24651	0.5
78.95897	1.7
87.96463	0.4
96.96964	3.2
97.93133	2.0
101.21460	0.5
108.90054	0.5
113.92604	0.5
114.93414	1.5
132.73962	0.5
166.21274	0.6
196.81828	0.5
222.85321	0.5
247.20668	6.1
248.20964	0.6
259.20639	1.8
275.23758	0.8
319.22781	100.0
320.23123	9.0
321.10812	0.5
417.15317	1.2
417.20224	9.6
418.20575	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39809	20.3
61.98836	31.7
70.86490	21.9
75.00816	24.2
76.38042	23.7
78.38950	21.6
107.78988	19.3
135.80284	21.7
136.02768	24.7
170.48132	24.3
194.92679	27.9
225.93672	61.9
227.93393	30.2
319.64532	20.7
417.04276	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	417.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77608	28.9
59.01378	60.5
61.98827	100.0
62.38292	29.5
71.41435	31.9
111.75920	34.7
114.57550	30.5
126.89510	29.4
131.06622	29.7
171.88564	27.2
192.95840	36.0
298.24939	28.7
366.23172	30.1
418.22223	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10102	17.7
59.01375	49.6
61.98813	51.4
71.44487	23.2
81.94792	15.8
81.97829	17.6
95.04997	21.6
99.92587	22.4
128.43404	17.2
133.72121	19.0
143.23897	19.9
189.25385	18.2
192.95753	26.5
218.53484	18.4
243.16066	20.5
315.07703	18.7
335.22141	100.0
343.24905	68.9
355.24387	23.5
417.10107	26.8
417.22720	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.99381	0.4
60.01707	1.2
61.98831	5.5
68.13913	0.4
68.71349	0.4
69.49561	2.0
71.01392	0.4
97.06606	0.6
98.22668	0.7
103.92057	0.6
111.08219	1.4
113.02489	0.4
125.09759	1.3
152.65855	0.4
162.83875	0.5
173.08185	0.8
186.13000	0.4
187.09808	1.2
196.50998	0.4
269.23862	0.5
342.05154	0.6
381.82886	0.4
417.21481	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	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17154	0.4
59.01380	100.0
59.87849	0.4
60.01709	0.8
61.59845	0.4
61.98841	3.1
69.50789	1.0
69.51184	0.9
70.46788	0.4
74.25887	0.4
117.94228	0.5
155.30557	0.5
247.17523	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	1.3
61.98825	3.3
69.50907	2.4
83.67349	0.6
91.10252	0.7
98.21866	1.2
103.92002	0.8
123.52438	0.7
178.82257	0.6
194.10437	0.6
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
51.92416	3.6
56.79298	4.7
59.01379	100.0
61.93538	3.7
61.98818	11.6
64.67095	3.8
67.96891	3.8
68.02370	4.5
75.05260	3.7
75.28774	4.1
97.82209	3.5
122.11614	4.7
180.80563	4.9
235.18596	4.5
310.76849	4.6
417.18127	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	417.213
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86292	0.3
57.03475	0.3
59.01378	100.0
60.01693	0.8
61.98837	2.6
70.65229	0.6
73.02948	0.4
101.02489	0.6
111.08180	1.2
125.09743	1.4
173.08211	1.2
187.09850	1.3
271.12183	0.5
417.21335	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	417.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06338	4.5
56.27383	4.2
59.01374	18.3
60.72810	4.6
61.98827	12.7
68.41162	4.3
71.42322	5.1
79.90128	4.4
80.91673	18.0
96.95993	4.7
106.55638	5.0
141.45596	4.7
184.99513	5.1
261.22168	52.4
262.22644	5.6
273.22192	32.3
289.21643	10.3
301.21387	6.0
327.19336	33.7
335.22305	70.8
336.22604	6.7
345.19092	4.7
355.19086	11.1
357.20511	100.0
358.20734	7.6
401.19412	6.3
417.22583	78.0
418.23129	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
58.09140	1.9
58.40342	2.1
59.01381	18.6
61.98822	4.7
66.95729	1.7
69.03451	1.7
69.28291	2.7
69.28698	6.7
79.77557	1.9
80.91670	16.8
83.05009	2.6
92.36845	1.7
93.49388	1.7
96.94442	1.7
97.06598	5.0
127.69214	1.7
235.68880	1.9
261.22195	9.2
273.22223	46.1
275.20166	4.9
291.23392	1.9
327.19357	2.1
335.22263	48.7
336.22794	3.5
355.19031	3.4
357.20520	39.2
358.20917	4.0
401.19766	4.0
413.11108	2.1
417.22531	100.0
418.22763	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	417.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49187	1.7
59.01389	2.4
60.00902	2.0
60.04375	1.6
61.98821	6.7
69.46188	4.4
69.46570	3.8
69.96276	1.7
71.05030	2.7
80.91698	3.1
83.05026	14.3
85.00429	3.8
104.00256	1.7
154.24988	1.9
164.04419	1.9
219.17598	1.7
232.10895	2.9
246.66768	1.8
263.16473	8.4
273.95734	2.0
275.20047	2.1
276.20285	2.0
319.19189	17.8
320.19446	24.0
335.22198	11.2
349.23788	3.0
355.78015	1.9
357.20523	4.0
374.24490	100.0
375.24640	7.0
417.22760	16.7
418.22800	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	417.2644
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
52.74290	1.2
67.01844	1.5
69.95384	4.0
73.78053	1.1
83.05024	38.7
85.02934	1.7
99.04515	2.8
101.06079	100.0
102.06410	2.4
109.06644	1.5
122.52886	1.3
180.07127	1.8
243.17433	2.3
253.19545	3.1
259.20615	9.3
271.20685	39.5
272.20972	2.7
289.21738	4.8
373.27554	4.9
413.60596	1.5
417.26477	77.7
418.26880	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	418.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
61.98829	100.0
69.63797	1.7
75.10504	0.4
79.42809	0.6
130.27032	0.4
135.04518	0.6
152.30507	0.5
161.02397	0.6
179.03658	0.6
213.59067	0.5
251.94911	0.5
294.24097	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	22.8
61.98829	100.0
69.50173	1.8
71.01374	2.6
73.02961	1.4
85.02967	0.9
94.48992	0.6
96.96057	0.5
101.02467	2.2
102.02805	0.6
113.02483	0.5
140.58632	0.5
161.04630	2.1
162.04909	0.8
203.10803	5.3
208.56253	0.5
233.56177	0.5
269.10410	2.3
383.17236	0.8
418.20883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.0
61.98824	5.1
71.01364	2.1
71.43356	1.2
85.02952	1.0
89.02444	2.7
96.96014	3.2
101.02432	1.9
104.74586	0.8
108.24145	0.8
112.98869	1.0
127.92801	0.8
158.91187	0.8
184.08730	1.0
184.18340	1.1
212.08302	10.4
240.06586	4.0
241.07265	1.7
255.08865	100.0
256.09088	6.7
333.08740	1.3
359.16943	2.1
375.12979	2.3
419.10770	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94789	42.3
64.03978	37.4
74.09959	43.5
149.78778	42.7
163.25610	43.7
164.83598	100.0
177.55525	44.9
192.32951	39.9
254.21942	64.9
291.09097	76.0
359.15372	95.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90429	12.3
52.24594	12.0
52.73324	10.9
53.37299	11.7
57.86698	12.1
69.47377	28.7
69.47762	28.1
70.16913	12.7
102.18468	14.9
141.49538	13.6
291.09097	100.0
333.20694	65.1
334.21057	15.3
355.31009	13.8
359.15344	85.8
375.18564	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.26
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	32.1
73.02944	19.1
78.95906	17.7
93.55824	6.9
101.16891	7.2
110.98534	14.9
185.91507	7.9
244.07906	7.3
252.49782	11.5
283.22339	9.0
326.98096	8.2
343.26611	7.5
375.25412	100.0
376.25882	12.3
418.26788	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	419.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	3.1
71.01386	5.4
73.02954	1.3
74.04900	0.7
74.18999	0.8
85.02911	1.4
89.02454	4.7
93.03444	2.0
101.02459	4.0
113.02459	1.3
119.03531	1.3
121.02963	5.7
122.03759	7.5
128.77528	0.7
130.08780	1.2
131.03496	0.8
133.02988	0.8
135.04526	2.0
149.02451	26.9
149.04506	1.5
150.03229	51.6
151.03636	1.6
152.01204	2.5
161.04567	0.8
161.89726	0.8
163.04066	1.9
164.04793	16.1
165.05573	59.9
166.05922	1.6
169.05034	1.2
171.72368	0.8
179.07152	2.4
180.04282	3.0
183.10326	1.5
193.01425	9.2
194.95834	0.8
195.06624	34.7
196.07004	1.4
208.03773	19.8
209.04108	0.8
209.08148	1.5
223.06108	51.9
224.06511	2.8
227.12827	1.1
239.16565	2.6
371.11249	5.4
419.14340	1.3
419.22812	14.4
424.01596	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39877	1.1
57.75263	1.0
59.01379	5.1
59.92519	1.2
60.33381	1.2
61.98836	11.9
62.75101	1.1
69.16170	2.4
69.16579	4.9
70.18214	1.1
73.88163	1.1
90.10998	1.1
120.17571	1.2
146.20946	1.2
161.04578	2.0
188.08440	7.7
203.10774	100.0
204.11115	3.8
221.11832	4.2
383.12549	2.0
383.17130	22.9
384.17361	2.0
419.14825	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	8.5
69.03454	3.2
69.84904	2.3
69.85228	1.2
80.08569	1.0
84.31975	1.3
84.93878	3.7
91.96289	1.2
99.92590	68.2
100.92600	4.0
100.93363	9.8
115.92078	18.4
116.92860	57.7
116.93709	2.1
117.92871	3.0
180.62999	1.0
189.12836	1.7
247.20744	1.6
275.55740	1.2
288.15945	1.3
319.22766	17.0
320.07147	1.5
320.23218	1.6
321.23248	5.3
324.11728	1.6
389.14371	1.8
401.14310	2.0
419.15314	100.0
420.15433	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	419.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18266	0.5
61.98817	1.1
69.57272	1.0
69.57674	2.0
83.93105	0.8
84.93864	5.1
95.15035	0.6
99.92587	78.1
100.92634	3.9
100.93361	33.2
101.93390	1.8
115.92078	31.5
116.92163	1.8
116.92865	37.0
117.92857	1.7
148.10997	0.6
169.84393	0.5
182.93980	1.1
195.94725	0.7
229.45726	0.7
258.13269	0.6
271.20633	0.6
274.06613	2.8
318.05649	2.7
319.06375	0.8
319.22769	2.4
320.23117	1.2
321.23514	1.0
333.08041	0.9
334.08572	1.1
342.13058	1.1
357.15106	1.7
368.10843	2.1
383.13162	0.7
386.11972	7.4
387.12253	1.2
401.09311	1.3
401.14270	16.2
402.14392	1.6
419.15320	100.0
420.15479	15.7
433.13287	6.6
434.13565	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10968	1.6
56.57478	1.8
57.72107	1.6
57.84233	1.9
58.99567	2.5
59.01351	3.3
59.17974	1.8
61.98822	5.8
65.96957	2.1
72.00398	3.8
82.95425	2.3
88.23214	1.5
94.78008	1.5
110.29971	1.8
112.03544	8.8
114.93693	1.6
121.06654	1.7
187.66904	2.0
251.81560	2.0
291.71613	1.6
297.22302	10.1
303.21536	76.1
304.21973	6.9
313.21698	1.9
331.21115	13.4
341.21109	3.5
347.20706	9.5
375.20038	24.1
401.17535	1.9
419.18988	100.0
420.19388	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	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85113	1.1
59.01380	100.0
59.20243	1.1
61.98853	2.8
69.30063	4.8
71.01380	2.8
73.02969	1.6
86.00752	1.3
89.02428	2.1
96.55628	1.1
101.02468	3.0
113.02496	1.2
113.09863	1.2
122.37997	1.4
160.84267	2.1
197.11655	1.2
218.38916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.85113	1.1
59.01380	100.0
59.20243	1.1
61.98853	2.8
69.30063	4.8
71.01380	2.8
73.02969	1.6
86.00752	1.3
89.02428	2.1
96.55628	1.1
101.02468	3.0
113.02496	1.2
113.09863	1.2
122.37997	1.4
160.84267	2.1
197.11655	1.2
218.38916	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95827	5.7
58.52318	6.0
59.01377	11.2
61.98832	55.5
63.55377	6.9
70.82815	6.6
99.92580	100.0
100.93358	21.0
115.92057	35.6
116.92851	60.2
119.04956	7.6
121.02927	7.2
145.02975	7.2
156.90894	9.3
162.54723	6.9
193.34392	7.5
291.19733	17.1
319.22647	11.4
349.19357	8.1
386.11865	9.4
419.15158	79.8
419.28116	17.3
420.15100	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	47.0
61.98825	100.0
70.65132	59.5
79.95729	40.8
80.96484	32.1
96.96020	76.4
102.05618	32.9
129.33629	32.1
134.88902	35.5
269.94693	35.2
310.34750	34.3
419.17676	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87136	9.2
59.01368	28.3
61.98820	33.2
65.04678	9.0
71.05514	14.9
85.00446	100.0
86.08096	9.8
123.15974	10.5
300.23666	11.2
344.62759	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	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88592	11.7
67.04320	10.4
69.42052	22.8
69.42429	24.4
73.47728	10.4
85.00442	100.0
98.22594	29.1
107.13625	12.1
114.38998	13.1
165.42725	11.0
193.17523	12.4
220.27898	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	419.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	30.7
61.98840	91.9
69.59277	70.6
69.59616	38.6
76.86298	21.5
76.87581	22.8
82.95440	100.0
89.86884	23.3
91.08598	30.2
101.15089	25.5
143.76459	23.6
177.74303	23.2
250.20575	25.7
384.58130	26.2
423.25101	27.9
434.77841	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	38.1
61.98814	100.0
65.16278	14.7
69.49876	83.0
82.95428	47.8
84.00895	21.2
96.07865	14.6
114.90067	14.7
390.62289	18.2
419.23761	16.7
420.19995	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	53.4
60.28662	5.1
61.98837	15.1
65.20394	5.6
69.58575	23.7
82.95412	13.6
83.76619	6.4
84.95113	8.0
103.01505	38.4
121.02957	76.5
122.89389	9.1
125.87318	89.9
126.87341	9.3
127.87035	100.0
142.87592	10.4
150.35477	5.6
157.86311	19.8
159.85988	30.1
161.02414	15.5
162.92558	19.2
204.62796	6.4
220.14673	10.9
221.15440	19.4
236.10530	21.1
272.14478	5.7
293.17572	9.0
303.21494	26.9
375.19958	11.0
383.07068	11.2
419.18750	46.7
420.03519	7.3
420.27472	52.5
435.39786	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	419.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98040	1.5
59.01375	2.3
68.99813	2.9
70.49038	1.6
70.49415	1.2
70.99595	4.8
72.97525	1.5
73.01138	1.6
84.97527	1.3
86.99124	1.3
98.98491	2.3
98.99105	31.6
101.97811	2.6
109.33544	1.2
114.53255	1.0
114.98586	2.6
116.99391	2.1
117.00164	26.6
118.89967	1.1
125.86398	1.3
125.87328	23.8
157.86317	7.2
238.37154	1.1
301.21680	12.0
302.22095	2.0
327.23071	1.4
371.21631	1.3
376.04868	1.0
419.22589	100.0
420.22894	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	419.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02207	2.4
59.01380	71.7
61.81358	2.4
61.98829	6.0
69.56232	2.5
71.60806	2.9
84.12645	2.5
87.04515	100.0
123.39017	2.7
191.58128	3.2
196.73085	2.7
296.05905	2.9
438.07397	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	419.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
57.03437	1.4
59.01381	29.7
60.39737	1.0
69.51768	3.1
71.01380	10.7
73.02940	3.6
78.95867	2.1
80.04575	1.0
83.01374	2.2
85.02962	4.8
87.00883	1.8
88.37759	1.0
89.02467	6.0
93.03467	4.7
95.01386	1.3
98.22641	2.2
101.02444	9.1
111.36099	1.2
113.02457	3.8
113.06089	1.8
116.51772	1.1
121.02966	11.8
122.03772	11.8
125.02462	1.7
133.03070	1.2
135.04520	4.2
149.02449	36.7
150.03235	86.2
151.00385	1.1
151.03566	2.2
152.01085	3.4
163.04004	3.9
164.04808	25.4
165.05580	81.1
166.05908	2.8
178.50575	1.2
179.03493	1.5
179.07173	5.4
180.04286	4.8
193.01418	15.9
195.06628	48.1
196.06963	2.2
204.85368	1.1
208.03780	25.5
223.06120	76.7
224.06404	2.5
239.16481	3.4
257.17682	7.0
273.07532	1.3
274.58310	0.9
287.05582	1.0
291.65063	1.1
292.82486	1.0
371.11313	7.4
372.11716	1.5
401.21875	3.7
419.22852	100.0
420.23029	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	419.2802
Annotation	18-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
55.16023	1.0
71.55983	1.0
78.95888	1.2
84.95130	1.2
101.06082	100.0
102.06425	2.3
126.43301	1.0
152.99579	1.7
197.59576	1.0
251.20076	7.0
252.20369	1.2
256.18118	1.0
273.22269	1.9
275.98734	1.1
289.31741	1.0
313.44882	0.9
317.21201	42.5
318.21548	3.8
419.28021	98.6
420.28317	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	419.2805
Annotation	18-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
56.31756	0.7
59.01370	2.0
66.91018	0.7
78.95922	1.4
79.47823	0.9
84.48689	0.9
101.06084	100.0
102.06416	1.9
103.01504	2.7
151.12425	0.9
152.99577	2.2
164.58290	0.8
189.94278	0.8
224.40019	0.8
317.21191	37.0
318.21439	2.5
336.17703	0.8
419.22388	1.5
419.28015	31.7
420.28299	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	419.2801
Annotation	Diacarperoxide G
Peak:m/z	Relative Intensity
55.01883	2.2
59.01374	1.3
61.98829	3.0
69.03439	1.2
71.85982	1.3
73.97984	1.0
107.26072	1.1
110.60776	1.1
125.87353	2.1
126.88090	1.7
129.49294	1.2
186.93906	1.0
196.88759	1.4
253.02211	1.2
270.29785	1.1
270.36618	1.2
335.22256	3.2
349.00635	1.3
365.27304	1.6
375.25241	2.9
401.27057	3.1
419.28009	100.0
420.09164	2.5
420.20099	1.6
420.28293	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	419.2806
Annotation	18-[2-Methylbutyryloxy]-grindelic acid
Peak:m/z	Relative Intensity
50.23983	0.4
59.01386	0.5
61.79518	0.4
70.46680	0.5
83.05038	0.5
97.06599	0.8
101.06085	100.0
102.06429	2.1
163.01581	0.4
201.17990	0.4
205.12344	0.7
261.22144	0.6
273.22028	0.8
317.17325	0.9
317.21216	39.7
318.21606	4.0
419.28024	44.1
420.28336	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	420.1164
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49931	13.0
72.45192	2.8
99.75090	3.5
99.92590	42.1
100.93365	3.6
110.98564	5.8
115.92075	4.8
118.89973	79.9
119.90000	5.2
120.23574	3.0
125.67853	3.1
134.89476	7.7
158.88744	3.6
185.02257	6.0
361.50708	3.0
384.09222	3.1
384.13843	16.8
420.11630	100.0
421.11865	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	420.1165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85815	0.3
69.53654	0.3
69.61452	1.0
73.42101	0.3
78.95876	0.4
80.96518	0.8
81.20441	0.3
84.93878	0.4
90.27127	0.3
96.96012	0.8
97.93124	0.7
99.92584	33.1
100.79179	0.3
100.92596	1.7
100.93372	2.8
102.90472	0.6
115.92072	4.4
116.92847	3.1
118.89978	100.0
119.89976	3.6
119.90771	1.3
123.00913	0.7
127.87077	0.5
129.92717	0.3
134.89478	18.2
135.89555	0.4
135.90285	3.4
142.93600	0.3
150.88954	1.3
175.11945	0.3
185.02164	0.6
191.14279	0.4
214.92140	0.4
216.66292	0.3
247.09840	0.3
260.15674	0.3
288.04572	1.8
293.17557	0.5
294.17905	0.8
295.05652	1.3
303.06973	1.4
324.02139	3.8
325.02548	0.7
338.03705	0.6
339.04568	2.0
362.67651	0.4
365.85263	0.4
376.12738	0.4
380.06177	0.3
382.07275	0.4
383.07614	0.6
384.07480	1.6
384.13959	8.2
385.06921	0.9
385.14209	1.3
392.04337	0.4
420.11630	81.0
421.11874	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	420.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09079	1.0
55.73285	1.1
59.01373	2.6
61.98831	100.0
71.48418	1.1
84.23228	1.2
89.92782	1.1
90.73846	0.9
152.39737	1.1
167.07108	4.0
171.10222	1.7
184.08995	1.1
247.95816	1.1
276.23483	1.1
297.19891	1.4
321.17261	2.8
357.19171	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	420.2756
Annotation	6-Deacetylperegrine
Peak:m/z	Relative Intensity
59.01385	2.1
61.98814	5.3
69.88550	3.5
76.75329	1.1
116.68375	1.2
121.02955	100.0
122.03298	2.9
125.87279	1.4
127.87037	35.9
155.90161	3.0
159.86031	11.4
160.84209	2.9
162.83881	3.8
163.20268	1.2
172.89261	1.2
185.11801	1.1
199.89149	5.0
208.49118	1.2
298.86261	1.4
388.54968	1.3
419.96417	4.7
420.03741	4.8
420.27533	63.3
421.27744	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	420.9632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65747	0.2
59.01378	0.5
69.63914	0.3
69.64262	0.5
70.59460	0.2
77.10848	0.2
78.95914	0.2
96.95992	0.3
109.11793	0.2
119.93783	0.5
121.53780	0.2
134.96098	4.2
134.97075	1.2
135.96144	0.3
136.94008	44.0
136.96770	1.8
137.94083	2.1
139.37718	0.2
148.24426	0.2
151.92717	0.3
154.95013	0.2
176.98145	0.5
178.95059	27.9
178.97725	0.7
179.95169	1.8
180.94803	0.3
190.97194	1.8
191.97299	0.2
192.95125	2.7
193.95163	0.3
194.93034	3.2
195.93213	0.4
218.93051	1.0
219.93810	0.4
234.94424	0.4
234.96167	19.5
235.96263	2.4
236.94102	29.0
237.32077	0.2
237.94197	3.5
238.87148	0.2
247.87155	2.2
248.37164	3.0
248.87019	4.3
249.37096	1.2
249.86942	0.7
276.98181	0.9
277.36646	0.2
277.98373	0.4
278.36151	0.2
278.95157	100.0
279.95279	13.6
279.97638	0.6
294.93506	0.2
300.39462	0.2
316.86740	0.2
319.37793	0.7
319.87561	1.5
320.37732	0.6
320.87527	0.2
320.96323	0.4
333.86560	0.3
334.87552	0.8
336.94214	0.3
348.81760	0.3
349.32053	0.4
349.81625	0.4
361.08905	0.2
378.81116	5.3
378.95023	0.4
379.81470	1.3
380.81882	0.2
390.88272	0.4
391.38544	0.2
420.82059	5.4
420.96320	2.4
421.82172	0.7
421.96405	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08722	4.4
59.01380	100.0
61.98838	8.9
69.26619	19.7
71.01398	30.4
71.45477	3.3
73.02943	4.0
73.99722	3.8
75.38307	3.6
82.95409	4.4
83.98655	3.5
85.02944	5.7
89.02447	16.8
99.00882	3.8
99.87502	3.6
101.02473	10.5
113.02470	6.5
127.07687	9.5
133.02881	3.5
136.62349	3.7
265.93170	3.7
282.09109	4.0
363.98154	4.1
384.98196	8.9
421.15848	7.6
421.20804	55.0
422.21237	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	421.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44938	1.7
59.01380	22.4
61.98824	5.1
68.94736	1.6
69.30367	5.0
69.30767	3.0
71.01369	7.7
72.99305	1.5
73.02943	2.8
79.48144	1.5
85.02948	3.5
89.02434	6.8
98.21877	3.0
101.02430	5.1
102.05182	1.4
102.98629	2.0
110.22834	1.6
112.98796	2.1
113.02444	6.7
119.03497	1.5
125.06109	1.8
133.02966	1.9
135.04539	3.7
135.11821	15.5
161.02478	3.7
161.04572	3.9
161.09770	8.5
164.40948	1.4
179.03510	2.5
179.10776	100.0
180.11124	4.7
193.12328	1.9
197.02171	2.1
203.10704	4.6
205.08487	1.5
207.86385	1.6
221.11847	4.5
223.09752	84.9
224.10085	4.1
227.76346	1.6
265.10825	7.9
325.12967	3.5
352.53796	1.6
385.14984	13.0
421.31860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92539	8.2
55.12554	7.4
61.98824	14.3
70.89329	10.0
70.89668	8.3
72.00260	7.5
78.95890	11.3
85.02930	13.7
111.00885	100.0
129.01889	8.9
144.16411	7.5
146.99385	8.1
152.99525	10.1
202.39018	8.0
225.18654	39.7
284.36621	10.4
309.20682	28.3
324.75189	9.0
385.14444	13.2
421.15445	30.8
422.23325	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98923	13.6
61.98815	14.3
62.14442	12.6
69.37320	27.0
69.37715	37.5
101.02428	14.0
127.95792	13.1
212.08833	13.6
283.50681	14.7
367.90634	14.9
421.16632	100.0
422.16724	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	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45551	8.4
69.61990	32.4
70.30734	9.2
77.77567	9.4
78.52821	8.7
92.63235	8.6
98.74320	8.3
102.13992	8.5
146.08246	24.1
191.49593	10.0
196.96158	10.2
227.83163	8.9
277.12238	33.9
351.99878	9.6
421.16382	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.71604	4.6
68.09220	4.6
69.35223	22.3
86.86092	4.2
158.44415	5.0
177.43166	4.2
182.26192	5.8
279.19232	4.4
421.16354	100.0
422.16708	11.4
446.97372	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	28.4
59.01376	14.0
61.98825	14.3
69.11555	9.0
69.11963	24.4
161.02518	7.0
179.03545	4.9
197.02232	6.3
218.40257	4.5
223.13402	100.0
224.13942	4.4
421.16443	7.2
421.24432	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	421.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	11.8
69.70975	4.0
71.01009	2.1
71.01383	28.3
72.99300	1.3
81.27251	1.1
85.02949	4.5
87.00878	3.5
89.02441	44.4
95.01382	1.3
96.96037	1.5
98.21860	1.2
101.02434	14.6
111.47320	1.3
113.02446	14.4
119.03513	15.9
131.03496	2.8
135.04526	1.8
137.09641	1.6
143.03510	4.8
149.04654	1.1
161.02448	1.5
161.04546	3.6
179.03529	1.5
179.03932	1.7
179.05606	19.7
181.08690	2.0
199.09750	1.2
200.70532	1.1
276.85291	1.3
346.34329	1.4
361.10956	2.3
361.15009	14.9
364.74771	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	0.7
67.31107	0.3
74.92268	0.3
78.95902	2.6
79.95738	1.0
80.96517	100.0
81.96438	0.6
96.96013	3.1
98.21773	0.5
99.92578	4.0
100.92600	1.3
115.92088	0.6
118.89978	6.3
119.89993	3.0
120.89687	3.4
130.44386	0.3
135.90236	0.4
152.99588	2.2
170.28983	0.3
185.02234	0.6
186.71890	0.3
194.99295	0.3
214.06445	0.3
253.21762	0.4
290.83032	0.4
383.07001	0.3
384.13962	0.7
385.06729	0.6
385.14182	1.5
421.11932	11.8
421.22647	32.4
422.11426	5.3
422.22891	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2264
Annotation	1,4-Bis(2-ethylhexyl) sulfosuccinate
Peak:m/z	Relative Intensity
61.98828	0.4
65.12930	0.2
66.75711	0.3
69.50242	0.5
69.50628	0.6
71.79666	0.2
73.27943	0.2
78.95896	0.9
79.95741	0.9
80.96516	100.0
81.96496	0.3
84.02236	0.3
96.96001	2.1
96.96959	0.3
99.92589	6.5
100.92599	2.4
100.93239	0.5
105.49445	0.2
110.98483	0.3
111.30285	0.3
115.92108	0.6
116.92081	0.4
116.92870	0.6
118.41534	0.2
118.89980	8.3
119.89996	4.0
119.90836	0.2
120.89697	4.8
135.90228	0.5
152.99576	0.9
168.79276	0.2
185.02260	0.3
227.12981	0.4
301.21616	0.3
383.07083	0.9
384.13962	1.0
385.06839	1.1
385.14108	2.5
421.11942	14.3
421.22647	30.2
422.11401	7.2
422.22934	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81885	0.6
59.01379	0.8
61.13423	0.5
73.99461	0.5
78.95900	3.8
82.40569	0.6
87.04538	0.7
101.06096	1.1
110.98515	2.9
113.84768	0.6
151.81641	0.5
152.99617	1.0
167.01152	0.7
185.02194	3.3
209.74971	0.6
253.21735	100.0
254.22064	7.3
421.23575	6.4
421.28589	0.9
422.23932	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65628	0.5
69.95033	1.6
78.95901	28.2
80.96510	2.0
90.14712	0.5
92.54186	0.6
96.96005	0.7
99.92577	1.7
101.52512	0.5
110.98534	50.5
118.89968	1.9
119.90007	1.3
120.89677	1.6
152.99571	4.1
164.39934	0.5
165.10742	0.5
167.01172	2.1
185.02199	100.0
186.02567	2.7
253.21732	24.3
254.22127	1.6
278.68967	0.6
368.52277	0.6
421.12292	2.8
421.23563	4.5
422.11520	1.2
433.54312	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05320	0.6
61.63101	0.5
69.71466	2.0
70.66812	0.6
78.95903	27.5
80.96498	0.6
98.21928	1.3
103.24199	0.5
106.82039	0.6
110.98531	42.8
118.89928	0.7
122.75930	0.6
152.99593	3.0
160.10703	0.6
167.01161	1.8
171.28053	0.5
185.02199	100.0
186.02573	1.3
253.21716	28.8
254.22089	2.1
421.11761	1.5
421.23672	4.1
422.23926	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19968	0.4
78.56980	0.4
80.91685	2.3
125.02904	0.5
125.87288	1.1
132.19923	0.5
163.11290	100.0
164.11612	4.7
238.27866	0.5
278.48691	0.5
339.23285	64.2
340.23636	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	421.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73165	8.8
64.03674	9.2
71.92895	9.2
86.21043	9.7
88.98828	9.9
89.02451	24.2
94.92506	35.8
96.95918	9.6
99.92573	30.1
116.23186	11.3
118.89970	100.0
127.87044	28.0
128.87811	26.2
140.72379	9.8
162.53374	9.2
255.82431	10.2
293.21094	19.2
331.18796	15.3
352.00461	11.2
383.10812	15.3
386.11813	21.1
402.26932	10.4
421.08566	15.5
421.16162	15.3
422.09628	84.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	37.8
85.21669	39.5
89.02438	77.6
95.59924	40.2
101.67091	51.0
104.97663	40.0
150.76758	43.5
165.83142	40.3
293.21207	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	421.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18689	0.8
57.32135	0.7
58.44524	0.8
59.01380	100.0
60.01711	0.8
61.98829	2.1
63.39774	0.9
69.14318	4.8
73.35805	0.7
74.36321	0.7
106.86343	0.8
113.23591	0.8
126.43154	0.8
126.90587	0.7
150.61642	0.7
161.44040	0.9
212.71681	0.8
222.60677	0.7
243.17836	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45419	0.5
53.42966	0.5
53.94587	0.5
59.01379	100.0
60.01717	1.0
61.98826	2.3
62.22005	0.5
66.43877	0.5
71.01398	0.5
78.91885	0.5
84.33897	0.5
94.93271	0.6
97.74152	0.5
104.98162	0.5
107.68004	0.5
110.10271	0.5
114.69884	0.5
126.56685	0.5
171.73180	0.5
246.18423	0.6
286.86789	0.5
401.71237	0.6
422.69327	0.6
433.22141	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	2.0
71.44215	1.6
91.04016	5.2
117.87315	1.4
133.37015	1.3
160.05536	1.3
165.44302	1.4
194.10176	1.2
287.22241	15.0
300.80634	1.3
389.64990	1.3
402.72830	1.4
443.22293	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46906	1.4
55.72277	1.3
59.01382	3.5
61.98830	100.0
62.34339	1.5
69.99680	3.8
71.92274	1.4
100.04268	1.3
113.63354	1.5
120.50044	1.6
139.31058	1.4
160.84192	9.4
285.12515	2.2
387.87387	1.7
392.67255	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98831	100.0
71.01410	0.3
79.74491	0.2
92.09709	0.2
98.22665	0.5
101.02357	0.3
112.92149	0.3
153.09206	0.5
168.71428	0.2
197.08217	0.6
318.15002	0.3
354.09286	0.2
365.14987	0.4
393.14780	0.8
408.17017	0.6
423.19141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34743	1.7
59.01362	2.5
61.98832	100.0
94.51014	2.0
99.92561	2.0
103.01517	3.0
109.54070	2.0
111.24664	1.7
116.92033	1.8
142.08600	1.8
159.89218	1.7
171.27840	1.8
240.54272	1.8
311.20502	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	422.159
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	100.0
71.45079	1.4
78.91885	9.5
83.05864	1.0
91.70851	1.1
93.36692	1.0
96.39774	1.0
101.28333	1.2
105.67483	1.1
133.38057	1.1
201.84196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06888	2.8
61.98826	7.0
66.88486	2.6
68.49358	2.4
71.00952	3.4
71.01299	2.8
75.07933	2.5
83.05042	4.2
94.02998	3.2
107.03783	30.4
108.04581	22.0
108.41598	2.8
117.88403	2.6
124.02765	2.6
137.03578	16.6
142.46367	2.7
205.12383	3.3
218.49585	3.6
219.13913	2.7
254.19109	4.1
284.20126	4.1
298.18112	11.9
299.17676	17.0
314.20001	4.0
328.19193	75.4
329.19501	7.1
343.16571	3.1
345.19510	4.1
357.18204	3.4
362.26938	6.8
375.19247	100.0
376.19510	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	422.9375
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35390	0.4
55.72928	0.3
63.49755	0.4
71.41823	0.4
79.70389	0.3
85.02950	100.0
85.09813	0.4
86.02803	0.3
86.03281	1.6
88.87914	0.3
89.92500	0.4
93.11277	0.4
110.89996	0.5
111.00884	8.5
129.01945	91.0
130.02277	2.1
139.16391	0.4
151.00121	0.6
161.96590	0.3
166.97527	4.1
173.00914	24.5
174.01244	0.8
184.97728	0.9
210.96468	2.9
231.95856	0.4
233.39436	0.4
251.99586	0.8
264.94516	0.4
271.96881	0.4
273.03644	0.4
280.94849	0.4
282.99084	0.7
290.95990	0.9
308.96985	1.4
312.06659	0.4
334.95001	2.8
360.92740	2.3
378.94431	0.8
422.92807	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90364	0.2
58.02971	0.6
58.65541	0.1
59.01394	0.2
61.98829	0.3
64.54523	0.2
69.12627	0.1
69.34141	0.7
70.02977	2.5
71.01374	0.4
71.05017	4.3
82.26591	0.1
87.05635	1.7
90.22761	0.1
91.89721	0.2
99.04527	1.2
113.03565	2.6
115.05136	0.4
116.07195	0.9
117.03468	21.8
118.03815	0.7
119.05029	5.1
120.05383	0.2
125.99956	0.2
129.05594	0.4
130.03339	2.6
140.83624	0.1
145.02954	100.0
146.03299	4.1
146.08231	20.9
147.05984	0.8
147.08607	0.5
162.05635	0.6
163.04007	2.2
173.03896	1.1
193.60330	0.2
217.11922	4.3
218.12383	0.2
222.05946	2.1
225.11320	0.3
276.06970	0.2
277.12256	18.2
278.12708	1.0
423.15933	4.3
424.16260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76299	0.9
52.79636	1.0
54.99372	1.0
57.03447	24.6
59.01379	35.9
61.98821	1.7
69.37164	3.6
71.01347	1.2
72.99319	1.2
74.02456	1.5
83.01411	1.0
83.05015	1.4
95.05035	1.9
97.02944	3.8
99.04532	18.6
101.02445	5.2
107.05062	1.0
108.04588	1.2
109.02979	2.6
109.06605	3.5
111.04516	1.6
113.92004	0.9
121.06578	2.4
122.03775	6.1
123.04630	1.1
123.08171	1.1
123.95574	1.0
124.05301	12.6
125.02422	2.3
125.06080	2.1
127.05077	1.5
133.02881	1.0
133.06595	5.1
135.04486	1.3
135.08192	1.3
137.06111	6.0
139.07654	100.0
140.08002	3.7
145.03014	1.9
147.08136	2.6
155.08272	1.4
161.02438	2.8
161.04552	7.0
163.11299	1.6
165.06766	1.5
168.07918	15.4
169.08711	10.8
171.08145	1.3
175.11172	1.0
177.12804	1.7
181.08740	3.1
183.07822	2.0
187.11255	11.6
190.10010	1.6
205.12320	19.5
210.08934	1.3
211.09743	3.6
221.11775	1.2
225.11285	3.1
227.06708	5.7
235.13353	5.0
249.11394	5.2
251.12730	1.4
261.05469	8.4
261.11304	1.2
279.12378	65.9
280.12775	3.5
321.13370	3.3
423.16467	8.1
424.16946	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	40.7
70.76409	34.2
72.87614	22.1
74.82700	21.0
78.85974	19.9
82.95409	47.6
90.24279	21.7
115.69839	25.3
157.15369	22.3
194.73129	21.3
207.97575	21.9
225.96017	22.3
381.17371	35.0
397.20871	33.1
423.17688	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	423.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66873	6.4
59.01373	16.0
61.54900	5.8
61.98825	12.7
68.00394	5.4
69.30672	32.8
71.01413	6.3
86.81110	5.6
109.18006	6.1
119.05019	100.0
128.03464	5.6
134.03735	65.0
135.03743	5.1
135.04543	54.9
145.02878	8.1
149.06070	31.4
162.77831	6.2
174.19487	5.6
224.69492	5.8
225.14972	77.1
256.14285	5.8
256.82449	6.2
261.12457	12.3
266.99323	6.1
273.12503	46.9
288.11096	14.1
303.13382	39.2
423.19232	67.2
423.28226	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	0.9
59.01379	100.0
61.98841	6.0
62.76850	0.9
70.79909	1.1
71.01009	1.5
71.01381	16.0
71.82325	0.8
73.02936	1.3
83.01404	0.8
84.95110	3.9
85.02943	2.5
87.04517	2.0
89.02441	8.9
95.04996	0.9
101.02431	7.1
113.02453	3.7
119.03494	3.0
126.05275	0.9
143.03500	1.0
146.16649	0.8
149.02440	1.0
161.04544	1.5
169.08733	2.7
177.01915	8.7
179.05556	1.3
187.09769	1.8
192.04294	15.0
193.05035	0.9
195.03917	0.9
201.11308	3.0
207.06618	38.8
208.06973	1.6
232.16185	0.9
281.88022	0.9
313.12985	11.7
331.13971	5.7
349.14960	2.5
363.16483	1.4
387.12997	2.4
423.10657	0.9
423.18314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1924
Annotation	Alstiphyllanine A
Peak:m/z	Relative Intensity
51.11599	0.5
59.01368	0.9
61.98843	0.6
62.23740	0.4
69.35010	0.4
69.35378	2.1
77.32665	0.4
78.95892	0.7
79.75850	0.4
81.99834	0.4
91.22505	0.4
93.03461	0.9
96.96017	0.8
98.22620	0.8
102.57195	0.5
107.05077	0.8
111.75719	0.4
117.03470	0.9
119.05029	100.0
120.05360	3.1
126.15728	0.4
133.02969	1.9
134.03743	64.8
135.04536	40.2
135.05618	0.6
136.04874	1.0
144.04489	0.5
145.02937	4.7
148.05312	1.3
149.06082	30.1
150.06415	1.1
152.85703	0.5
152.99583	1.1
160.01703	1.3
160.04037	0.4
161.02469	1.0
161.06061	1.1
162.03140	0.8
162.05583	0.4
174.05600	0.5
175.02710	0.8
175.04027	1.7
176.03545	1.7
190.05075	2.4
204.06659	3.9
216.61154	0.4
219.14594	0.5
229.13580	0.8
230.11844	1.3
246.11316	0.8
247.14490	1.2
261.12427	7.9
262.13168	3.2
273.12448	40.7
274.12857	3.0
277.15640	0.6
287.10376	4.5
288.11163	12.3
289.11792	1.9
290.73392	0.5
303.13504	30.5
304.13828	2.1
407.16245	1.3
423.19266	54.7
424.19598	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	423.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.9
60.97532	7.1
61.98846	1.0
66.97531	0.9
71.44117	0.9
77.00663	8.6
87.96254	19.4
102.98601	36.1
104.96503	0.9
111.00898	1.9
120.99677	3.3
205.12386	4.4
214.63762	1.0
219.13901	14.6
220.14441	1.0
225.65132	0.9
275.87827	0.8
301.21756	3.2
311.22354	1.2
319.22760	100.0
320.23181	8.0
361.23834	16.3
373.23856	1.4
423.22055	20.2
424.22476	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52453	0.8
71.97009	0.5
73.36860	0.5
78.95902	11.2
99.30096	0.6
110.98537	8.8
115.53835	0.6
116.66273	0.6
167.01152	10.1
185.02180	1.9
255.23291	100.0
256.23666	6.9
257.23376	0.6
423.25247	19.3
424.25327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07190	0.3
70.94205	0.3
78.95902	3.7
97.85225	0.3
106.74944	0.3
110.98542	3.1
151.82118	0.3
152.99655	0.4
156.59610	0.3
163.11270	0.9
167.01144	0.4
185.02168	2.7
247.17075	0.5
255.23289	100.0
256.23654	6.8
296.28711	0.3
416.37662	0.3
423.24963	7.6
424.25330	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15162	0.3
58.31115	0.4
61.84259	0.4
61.98825	0.6
69.03599	0.4
69.41664	2.0
78.95904	3.9
110.98538	3.6
148.15662	0.4
153.32761	0.5
156.88147	0.4
167.01117	1.8
185.02229	3.3
188.84019	0.5
234.26167	0.4
255.23288	100.0
256.23615	6.5
261.50757	0.4
423.25140	6.0
424.25522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69572	0.3
61.98809	0.4
69.55246	1.0
70.09723	0.3
78.95906	3.9
110.98528	2.8
121.89786	0.4
161.08223	0.3
167.01169	1.2
185.02180	3.6
186.02522	0.4
187.02681	0.6
255.23286	100.0
256.23639	6.7
257.32471	0.3
260.24170	0.3
306.17621	0.3
343.88077	0.3
389.58563	0.3
423.11804	0.6
423.25177	8.5
424.25571	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68579	0.7
51.17935	0.8
57.55006	0.7
57.59586	1.0
61.98828	1.1
69.58772	0.8
71.44104	1.0
78.95898	7.2
89.52478	0.8
96.96012	1.8
104.04449	0.8
110.98526	4.1
118.90023	1.2
143.86476	0.9
154.68433	0.9
162.89310	1.3
163.87216	1.0
167.01140	4.4
185.02266	3.3
212.03821	0.8
255.23293	100.0
256.23605	6.8
360.31851	0.9
423.25201	12.3
424.25726	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87471	0.8
64.89049	0.7
69.93832	1.8
78.95439	0.8
78.95902	15.8
98.22659	0.7
104.84337	0.7
110.98540	8.0
119.43874	0.6
152.06097	0.6
152.99538	1.2
167.01149	11.2
185.02190	2.7
195.31068	0.6
255.23285	100.0
256.23593	6.3
292.74741	0.8
333.78952	0.8
347.53342	0.6
423.25140	28.7
424.25555	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	423.2536
Annotation	iso-Dulcinol
Peak:m/z	Relative Intensity
60.16821	0.7
61.96406	0.6
62.96398	0.8
70.53622	0.8
78.95908	5.3
84.60205	0.7
90.88321	0.8
94.02139	0.8
96.34910	0.8
110.98515	2.8
121.02956	62.2
122.03302	1.7
134.03738	9.2
167.01178	4.7
181.73651	0.9
212.01505	0.9
255.23282	40.4
256.15411	0.9
256.23553	2.1
271.20801	1.5
273.22144	2.2
301.21704	12.2
302.22107	1.8
310.16605	0.8
361.25662	1.4
378.81396	1.0
379.26678	1.0
423.25388	100.0
424.25662	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	424.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25495	1.9
58.64653	2.0
59.01378	28.8
61.98824	16.0
69.29290	9.2
71.01386	23.2
73.02941	15.3
82.95417	3.7
83.01402	7.4
85.02945	14.5
89.02455	8.7
99.00851	3.0
101.02448	33.9
113.02449	16.2
121.02947	3.9
135.04396	3.1
140.07190	9.3
158.90376	2.8
159.03113	2.6
161.04562	8.2
201.01762	2.7
202.01971	2.7
207.06613	4.0
208.06964	3.0
235.11870	53.0
247.21571	3.6
262.10822	10.1
287.86490	2.7
296.67831	2.9
379.16122	5.1
381.17645	100.0
382.17953	8.6
382.37222	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	424.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	38.0
61.98814	100.0
70.95158	34.9
89.02438	31.9
91.12430	26.1
92.92799	38.0
114.76060	30.1
151.12282	27.1
206.73105	32.4
217.43665	28.5
299.08191	30.9
389.38623	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	39.1
59.29926	21.7
61.94103	25.3
61.98830	41.1
64.11279	21.6
69.38712	100.0
76.00039	26.7
77.88344	24.5
78.95897	29.5
118.89975	56.4
148.87018	26.5
163.06699	27.9
211.09897	27.6
251.90630	30.9
264.87735	23.9
324.41333	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29623	0.4
59.01357	0.4
60.07768	0.3
61.98804	1.2
70.33118	0.3
71.44090	0.3
78.95906	14.5
122.00141	0.8
140.01192	5.1
152.99603	1.2
196.03799	8.6
201.52725	0.3
214.04926	2.2
227.20161	100.0
228.20502	6.1
267.61343	0.4
393.70697	0.4
424.24707	27.1
425.25064	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	424.2494
Annotation	Lythranidine
Peak:m/z	Relative Intensity
54.12149	1.0
63.92103	1.0
69.92213	2.4
69.92551	1.1
70.73282	0.9
78.03493	2.4
122.02486	69.3
123.02863	1.4
135.03265	13.7
145.12959	0.9
180.52698	1.1
189.01840	1.1
202.35132	1.0
294.27960	0.9
301.18314	1.4
301.21707	21.9
302.22073	1.5
349.15567	1.0
424.24936	100.0
425.25204	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	424.2495
Annotation	Lythranidine
Peak:m/z	Relative Intensity
51.16227	2.1
59.36998	2.0
61.98795	3.2
70.10925	3.2
70.11279	4.9
108.93729	2.3
122.02484	63.6
196.63649	2.3
249.52460	2.4
274.58423	2.5
301.21817	23.1
337.21722	3.1
383.14841	2.5
424.24921	100.0
425.24985	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	425.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43519	0.4
59.01380	75.5
60.01721	0.6
73.48215	0.4
78.95879	0.5
93.79202	0.3
95.29391	0.4
97.40166	0.4
99.98888	0.5
100.01333	0.4
104.08808	0.4
104.09517	0.4
111.02022	2.4
125.37417	0.4
127.02850	0.4
136.94011	1.6
138.93695	3.0
140.93340	0.6
141.00429	0.5
141.99969	8.2
157.03584	7.2
159.01489	2.7
178.95084	1.4
180.94753	2.5
184.01021	6.3
185.01225	1.5
201.02550	100.0
202.02708	7.0
236.96091	0.9
238.93884	1.8
240.93704	1.3
279.95438	0.5
280.94965	8.0
280.97867	0.7
281.95078	2.2
282.94769	6.0
284.01144	13.3
318.87280	0.5
327.02075	0.8
343.03699	27.3
344.03925	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	425.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	1.5
59.11174	1.5
61.98827	15.0
62.35367	1.6
69.80329	5.0
71.01382	1.8
79.22271	1.4
84.93883	2.8
98.95557	1.4
99.92587	73.6
100.92654	3.9
100.93356	33.9
104.40411	1.3
115.92083	48.7
116.92860	100.0
117.92875	5.1
150.27916	1.4
156.33189	1.6
209.11826	2.7
251.16507	4.1
264.04739	1.7
276.04727	2.3
278.63959	1.5
294.74402	1.4
320.03369	2.2
325.20016	2.3
338.04691	2.2
357.07443	2.3
369.05029	1.6
371.09683	2.1
389.10651	34.1
390.10809	4.5
403.08643	7.1
404.08841	1.8
407.11703	6.9
421.09662	4.8
425.12708	24.4
426.12888	3.5
448.37457	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	425.1761
Annotation	Perrottetin E
Peak:m/z	Relative Intensity
53.54920	3.6
58.25340	3.8
59.01364	9.0
71.01395	6.8
101.02415	5.3
230.71790	3.7
240.77280	4.0
292.97275	3.7
330.08273	3.8
330.66928	3.5
387.20294	8.7
425.17621	100.0
426.17548	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	425.1821
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
52.54596	4.2
59.01385	22.3
61.98817	13.3
70.89921	5.9
71.01364	9.1
74.48396	3.8
76.64440	4.0
82.95386	6.2
85.02933	5.3
87.01507	4.4
97.02931	9.4
108.05798	7.3
109.02959	3.8
111.04533	4.2
113.06084	9.2
119.05016	8.6
122.03767	7.0
123.08125	6.6
123.44963	3.4
125.06075	26.9
134.03732	10.3
136.05368	4.4
137.06126	5.0
138.06818	11.8
139.07639	28.7
145.02960	4.1
151.07655	47.3
152.04738	5.9
152.08391	14.7
153.09230	19.7
163.07620	6.3
201.12831	24.2
203.10736	15.5
204.11583	35.0
219.13908	55.6
221.11955	5.1
243.13748	5.9
245.11821	14.5
263.12885	100.0
264.13199	6.7
287.12982	12.5
293.10281	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	425.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37831	2.4
57.36443	3.0
59.01377	100.0
60.06962	2.6
68.15470	2.9
71.01381	55.1
71.46560	2.6
73.02953	7.0
77.56660	4.1
83.01386	3.3
84.69098	2.7
85.02956	15.4
87.00867	6.4
87.04521	3.0
89.02436	38.4
95.01427	3.7
96.95998	3.1
97.06570	4.6
99.00871	3.1
101.02435	43.4
109.02916	3.1
109.06587	3.3
111.12159	3.7
113.02427	18.5
119.03532	14.9
131.03500	4.1
131.42757	3.3
134.03726	8.0
135.04491	6.4
139.55086	3.0
151.03975	3.9
159.03087	3.0
161.02451	7.9
161.04530	20.5
179.03467	8.7
179.05652	9.7
193.05048	7.2
195.91998	3.1
201.01660	5.3
203.12883	4.8
219.03040	4.1
221.06697	6.6
277.13025	11.6
293.03329	4.2
365.18134	88.6
366.18539	3.9
407.07687	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	426.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.8
61.98830	100.0
69.49609	1.8
71.01395	0.6
73.02948	0.5
76.12575	0.5
83.01365	0.6
85.02940	0.5
93.09812	0.5
100.73339	0.5
101.02456	0.8
113.02489	0.5
122.15507	0.5
277.13834	0.6
277.16550	2.5
319.17496	1.1
345.17178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33664	1.0
57.03431	1.0
57.24052	1.0
59.01357	1.5
61.98826	9.7
71.01913	0.9
78.95905	6.6
83.01411	1.1
97.83382	0.9
117.03437	2.0
119.05054	5.0
140.01166	2.8
145.02965	8.1
152.99567	1.2
158.05435	0.9
162.05623	2.3
167.14420	29.6
168.14767	2.2
177.11316	0.9
179.03523	1.0
196.03787	1.8
211.13391	41.4
212.13704	2.2
213.05524	1.4
214.04816	3.1
229.14436	100.0
230.14726	6.3
266.66470	1.0
307.62793	1.0
315.38913	0.9
376.11859	4.2
394.12961	1.4
426.18979	45.3
427.19348	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	426.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54225	9.1
59.01376	8.6
61.98833	100.0
64.74924	7.6
69.90003	17.4
69.90358	20.1
81.40054	7.3
84.41078	7.6
89.02456	23.5
89.97441	7.9
162.19717	7.7
176.12709	9.1
200.35010	8.1
214.81772	8.4
238.08162	8.0
241.01688	7.7
261.82330	8.6
356.64554	9.8
436.39069	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	426.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69778	28.2
56.56720	31.6
59.01369	100.0
61.98804	30.8
69.41525	76.6
69.41919	49.6
71.74467	33.4
73.99974	29.5
75.86762	27.0
85.64264	31.3
227.20255	44.9
229.20830	75.9
244.62784	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	426.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98827	9.9
70.00796	4.7
71.39603	6.5
92.92789	31.0
367.17590	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	426.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
67.02331	8.4
69.90031	10.9
69.90358	18.9
78.91865	11.4
83.16341	7.4
136.04385	9.6
155.70258	11.1
196.52800	10.3
249.80266	10.3
328.25089	11.4
409.17288	7.8
411.10867	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	426.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00683	16.5
55.09604	15.3
58.56147	14.9
59.01386	100.0
61.98840	32.9
69.44144	44.2
69.44526	32.4
70.08476	19.7
89.38703	18.0
107.49667	17.5
110.49416	15.5
113.88531	16.7
118.79150	15.1
119.56751	18.2
140.15007	16.6
202.51335	16.8
218.07808	18.2
272.94000	17.7
309.20883	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	90.7
61.98085	15.6
61.98835	100.0
64.87553	18.4
68.63625	17.8
68.67952	15.7
69.42799	42.2
69.43178	36.7
92.92795	67.2
150.11121	17.7
185.53352	18.8
194.92793	19.8
207.97507	16.1
250.21124	19.5
399.01767	17.8
407.23108	19.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
67.05331	1.3
69.37027	7.2
74.91158	1.5
76.93538	1.3
82.24537	1.7
92.92795	2.3
99.92593	3.8
104.45707	1.6
118.89980	6.0
171.10268	2.7
179.17673	1.5
275.20178	4.8
278.05865	1.5
293.20999	1.5
311.22311	7.2
319.76413	1.4
395.10583	1.5
426.09164	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	426.9677
Annotation	2,10-Dibromo-3-choloro-7,8-epoxy-9-chamigranol
Peak:m/z	Relative Intensity
61.98824	1.8
64.97009	0.6
68.99825	0.6
69.58711	2.1
79.95736	66.5
80.96516	100.0
81.96423	0.5
82.96093	0.8
90.10856	0.6
90.81635	0.5
172.73257	0.5
216.98953	1.8
242.43929	0.5
254.98630	2.1
282.98093	1.6
292.98230	2.4
302.98779	0.9
342.01965	0.5
366.94638	0.6
367.16708	0.6
386.95471	5.2
406.96155	31.3
407.96384	1.0
426.96756	99.8
427.97018	5.2
432.12729	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1184
Annotation	Eupachloroxin
Peak:m/z	Relative Intensity
59.01380	4.4
72.00901	19.4
77.27303	2.0
86.47663	2.2
94.14981	2.1
121.03040	2.2
134.04726	2.4
141.98198	3.1
147.04526	52.2
148.71448	2.2
154.97737	6.5
161.70401	2.1
164.07155	60.1
168.06767	2.2
168.42752	2.2
175.90569	3.0
200.98428	3.5
235.98680	2.7
298.67334	2.4
427.11819	100.0
428.12244	9.3
435.91779	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	427.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80840	1.9
57.03445	2.3
59.01376	54.9
59.97444	2.2
61.98835	34.5
64.14845	2.5
66.55519	2.2
69.03442	4.2
69.17944	2.6
69.71514	6.3
71.01378	17.2
73.02946	31.4
81.07135	2.8
82.52988	2.4
83.01368	8.9
83.05050	2.7
85.02948	6.5
89.02454	4.8
97.02919	3.3
97.06582	2.6
101.02455	10.9
109.06596	4.9
113.02451	5.8
125.06084	4.5
135.08102	3.1
135.11803	20.7
154.23984	2.4
159.08121	5.2
159.11783	4.0
161.09708	12.3
164.10324	2.6
177.12843	12.3
179.10771	100.0
180.11090	5.4
188.83685	2.6
193.12329	5.5
203.10693	3.6
205.08701	6.1
205.12344	7.3
221.11835	8.4
223.09785	27.7
265.10831	8.1
282.40482	2.5
288.59030	2.5
323.16174	2.7
332.40378	3.1
427.19315	4.4
453.57257	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	427.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60233	8.6
52.08953	8.9
59.01379	96.0
66.45628	9.5
66.99282	10.4
70.43930	9.0
71.01392	28.9
73.02931	14.7
83.16536	11.2
83.57710	10.4
85.02956	16.5
101.02455	41.8
113.02457	10.5
131.07129	25.7
161.04608	21.0
162.83893	13.7
164.83603	16.7
179.29292	9.1
218.96135	10.2
221.10327	50.2
253.09123	19.6
302.06955	12.3
311.82712	11.2
367.16110	100.0
418.66092	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	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.0
57.03443	1.8
59.01380	52.5
61.98819	2.7
63.28496	0.8
67.68106	0.9
69.03452	0.9
69.72166	3.2
71.01382	26.9
73.02941	9.8
82.95412	1.0
83.01392	5.8
85.02946	9.8
89.02444	12.1
95.01447	0.9
99.00873	3.3
101.02445	32.6
102.02839	0.9
111.00877	2.2
113.02446	10.7
125.02448	1.2
131.03499	8.0
143.03453	1.3
143.24254	0.7
147.41014	0.9
149.04544	3.5
153.80782	0.8
159.03014	1.9
161.04543	6.3
191.05522	1.3
212.74011	0.9
223.06134	1.0
233.06590	1.5
235.11877	32.7
236.12161	1.6
298.49860	0.8
367.16080	100.0
368.16415	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	427.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.7
61.98826	17.9
63.65605	4.1
71.01384	27.9
71.44847	6.1
73.02949	19.7
73.49937	4.2
83.01392	6.6
85.02951	16.1
89.02446	5.9
93.55968	4.5
101.02445	37.6
103.60657	4.8
113.02465	17.4
119.97348	5.2
137.83400	5.2
161.04579	13.9
235.11868	100.0
236.12144	7.7
287.90799	6.6
367.16037	67.9
381.17535	5.5
412.59290	4.9
428.38403	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	427.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57393	0.5
57.03445	1.6
59.01378	100.0
60.01721	1.3
69.03442	0.5
69.17117	1.1
69.17519	2.2
71.01384	8.2
73.02943	13.9
74.80485	0.5
75.00879	0.6
83.01385	2.7
85.02950	1.5
89.02460	1.8
97.06629	0.8
100.66248	0.6
101.02440	6.7
101.40174	0.6
107.05061	0.7
109.02960	0.6
113.02454	4.4
125.02499	0.8
133.54073	0.6
135.08131	1.0
149.02423	0.7
149.06114	1.4
161.04575	0.8
163.11305	2.5
167.07095	0.8
176.47595	0.5
187.11423	0.9
205.12325	10.2
206.12732	0.6
223.13403	4.8
241.43503	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.0
59.01381	100.0
60.01715	0.5
64.39640	0.5
69.30386	1.5
69.30791	0.7
71.01384	14.1
73.02949	10.7
83.01398	2.0
85.02943	4.6
87.00905	0.7
89.02448	4.7
95.01407	1.3
97.02962	1.3
98.22704	0.5
99.00902	1.0
99.81731	0.4
101.02447	7.8
105.07100	0.7
111.04565	0.5
113.02454	9.1
113.06130	0.7
119.03505	1.3
122.03712	0.5
123.08146	0.8
125.06074	0.9
136.05368	1.0
138.06889	5.6
139.07680	1.9
143.03539	0.9
147.08223	0.6
149.06094	0.5
151.07649	5.4
152.08423	15.4
153.09218	31.2
154.09590	1.2
161.04575	3.6
163.11320	0.7
165.09146	0.5
173.82329	0.5
179.05557	0.7
190.10069	0.7
205.12341	15.3
205.14223	1.1
206.12949	0.6
223.13348	3.5
241.71915	0.5
247.66154	0.5
258.80771	0.6
367.17609	13.9
367.22156	0.7
368.18011	1.1
385.18692	3.2
427.19855	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	427.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52839	0.5
55.01879	1.0
57.03450	1.9
59.01381	100.0
60.01720	0.5
60.48553	0.5
61.98840	1.7
64.09760	0.4
69.03461	0.6
69.10550	2.2
69.10948	0.9
71.01386	17.8
72.99314	0.7
73.02947	18.9
73.54849	0.5
80.91683	1.7
83.01366	4.8
83.01729	0.4
85.02946	4.6
87.00888	0.7
89.02435	4.8
95.01403	1.4
95.05033	0.7
97.02966	2.3
98.22679	1.0
99.00900	1.5
101.02451	13.7
105.07095	0.6
107.04980	0.6
108.05824	1.4
109.06605	1.5
111.04574	0.5
113.02458	10.1
113.06110	1.3
118.30948	0.5
119.03519	1.3
121.06642	0.5
122.03793	0.8
123.08157	1.9
125.02451	1.2
125.06109	2.4
131.03511	1.1
133.36395	0.4
135.08167	0.7
136.05310	1.9
138.06871	11.0
139.07698	4.8
143.03484	1.4
147.08231	0.6
151.07661	12.0
152.04866	0.8
152.08432	21.9
153.09219	66.8
154.09554	2.4
161.04529	5.1
161.09720	0.7
163.11290	1.9
165.09267	2.3
167.07146	0.9
179.05725	0.6
187.11497	0.7
189.09326	0.7
190.10020	1.5
196.85233	0.5
203.05637	0.8
205.12335	19.5
206.12593	0.7
223.13405	9.7
247.13457	0.6
267.10394	0.6
367.17612	5.9
368.17664	0.7
375.31174	0.7
385.18509	2.9
427.19608	3.3
428.19193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1973
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01874	0.8
57.03445	2.1
59.01381	32.5
61.98826	0.9
69.20729	2.1
71.01382	18.3
72.99303	1.0
73.02937	4.1
83.01382	1.9
83.05000	1.0
85.02950	6.0
87.00879	3.0
89.02445	10.9
95.01383	2.2
96.96007	1.0
97.06600	0.6
98.22595	1.0
99.00885	1.0
99.04539	0.6
101.02441	12.6
109.02988	0.7
111.04517	5.3
113.02448	7.2
119.03510	4.6
121.06635	0.5
137.06111	0.5
137.09723	1.6
138.06895	0.9
147.08119	0.8
151.07631	0.6
153.09200	1.6
159.03123	0.4
161.04594	2.1
165.09193	1.8
177.09270	0.5
185.13310	1.6
187.11298	1.1
196.42612	0.5
203.14395	6.6
204.14708	0.5
218.35234	0.6
220.14650	0.7
221.15474	1.4
227.07144	1.2
247.13406	0.8
264.06631	0.8
265.14359	1.0
385.33133	0.5
427.19711	100.0
428.20016	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1971
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01877	0.9
56.99797	0.2
57.03448	1.4
58.00590	0.8
59.01380	62.9
60.01713	0.5
61.98830	0.6
71.01381	30.9
71.46929	0.2
72.01729	0.3
72.99314	1.0
73.02940	2.1
74.84600	0.2
79.05556	0.3
81.03480	0.2
83.01388	2.3
83.05026	12.0
85.02952	6.6
85.45544	0.2
87.00880	1.2
89.02444	22.6
90.02815	0.3
95.01395	2.3
95.05016	0.2
99.00887	0.9
101.02444	17.2
102.02809	0.3
111.04529	1.0
113.02452	10.9
114.02760	0.3
119.02651	0.5
119.03509	9.5
123.04527	0.6
131.03488	0.5
135.04517	0.5
137.09738	0.8
138.06847	0.2
143.03522	0.7
149.04550	0.4
153.09244	0.4
161.04555	0.9
169.10233	0.3
173.06229	0.2
179.05595	0.8
185.13373	0.8
187.11292	1.1
189.09221	0.4
203.14413	3.5
204.14771	0.3
225.11606	0.3
229.12383	0.7
236.73811	0.2
247.13486	0.8
295.15097	0.2
367.21112	0.3
396.10883	0.2
427.19711	100.0
428.20026	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	427.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75249	0.2
56.85250	0.3
59.01385	2.3
61.98831	100.0
69.47316	1.1
85.00428	1.9
106.54560	0.2
214.74544	0.3
384.20422	0.4
395.58783	0.3
453.58624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02936	0.2
58.25071	0.2
59.01359	0.3
60.53204	0.3
61.98829	100.0
69.19123	0.3
69.90003	0.8
75.84078	0.3
76.90257	0.2
86.79585	0.2
87.89257	0.2
127.00090	0.2
440.90613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.208
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34854	0.3
53.40616	0.3
59.01385	2.2
61.98829	100.0
70.52702	0.4
70.53021	0.4
80.82322	0.3
85.00423	3.0
94.01324	0.5
110.71555	0.3
162.78000	0.3
165.04309	0.4
203.50381	0.4
205.65974	0.3
214.49182	0.4
292.21820	0.4
427.21210	0.8
435.22681	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16788	0.4
59.01379	14.1
61.98830	100.0
69.16896	0.9
69.17297	2.0
85.00447	0.5
98.22639	0.8
111.85214	0.5
118.37253	0.4
122.25006	0.4
293.21387	1.1
326.74188	0.5
416.55353	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30345	0.6
59.01385	1.2
60.86974	0.6
61.98829	100.0
66.92422	0.5
71.17212	0.6
71.17550	0.6
79.25890	0.6
99.92545	1.1
118.90036	1.1
199.17102	2.5
243.47676	0.5
257.06387	0.8
263.16437	0.6
392.13025	1.0
427.21423	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2336
Annotation	Nummularine F
Peak:m/z	Relative Intensity
50.77900	0.7
55.01876	4.9
57.03438	3.4
59.01381	38.2
61.98821	2.2
64.91811	0.7
69.03446	1.1
69.30037	3.7
71.01381	38.2
72.99320	1.7
73.02948	20.3
83.01386	9.6
84.95100	0.7
85.02950	27.5
86.00088	1.8
87.00886	2.5
89.02448	6.2
95.01389	3.2
97.02945	1.0
99.00885	8.0
101.02448	49.6
111.00909	1.2
113.02445	19.3
119.03474	1.7
129.01886	1.3
131.03523	0.9
143.03502	2.4
159.02975	4.7
161.04558	19.8
188.99736	0.8
326.07065	0.8
383.24374	22.3
384.24869	1.9
406.54044	0.8
427.23364	100.0
428.23761	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	427.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77900	0.7
55.01876	4.9
57.03438	3.4
59.01381	38.2
61.98821	2.2
64.91811	0.7
69.03446	1.1
69.30037	3.7
71.01381	38.2
72.99320	1.7
73.02948	20.3
83.01386	9.6
84.95100	0.7
85.02950	27.5
86.00088	1.8
87.00886	2.5
89.02448	6.2
95.01389	3.2
97.02945	1.0
99.00885	8.0
101.02448	49.6
111.00909	1.2
113.02445	19.3
119.03474	1.7
129.01886	1.3
131.03523	0.9
143.03502	2.4
159.02975	4.7
161.04558	19.8
188.99736	0.8
326.07065	0.8
383.24374	22.3
384.24869	1.9
406.54044	0.8
427.23364	100.0
428.23761	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	427.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35415	0.4
54.14402	0.4
59.01378	100.0
60.01704	1.1
61.98829	33.9
71.38101	0.5
72.53503	0.4
75.10567	0.5
85.00419	0.5
87.39544	0.5
91.04018	1.4
97.54111	0.5
118.62420	0.5
123.83414	0.5
130.71938	0.5
159.95526	0.5
235.17032	3.4
275.20139	8.2
293.21231	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	427.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.72993	0.9
61.36576	0.9
61.98827	49.2
69.64602	0.8
69.64942	3.1
72.80424	0.9
74.15096	0.8
84.00776	0.7
84.95107	0.9
85.00436	15.2
91.04009	2.4
91.35284	0.8
93.78529	0.8
171.10225	1.1
275.19922	1.7
293.21213	10.4
294.21719	1.3
309.60074	0.9
311.22253	2.0
384.20190	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	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26244	0.6
56.86726	0.6
59.01379	100.0
61.98833	20.8
69.12688	4.2
98.21895	1.8
106.75532	0.7
141.88173	0.6
188.55920	0.6
340.72638	0.8
349.90305	0.6
373.55295	0.7
410.30344	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96656	0.5
57.14619	0.4
59.01379	100.0
71.43040	0.6
71.43450	0.7
91.64200	0.5
100.14651	0.4
100.68486	0.5
103.70492	0.5
126.51720	0.5
127.84453	0.5
130.94214	0.5
255.57597	0.5
293.21210	5.8
294.21725	0.5
380.55884	0.5
445.16669	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.27
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98825	2.3
62.18663	2.3
71.42065	2.5
74.17695	2.3
110.82977	2.0
161.97475	2.6
161.98706	2.4
271.63474	2.2
272.39545	2.5
293.21170	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	427.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	30.8
61.98823	41.7
66.17769	17.0
96.96021	37.3
121.02978	25.8
151.06389	46.4
152.07195	44.4
327.86356	23.2
427.27094	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	427.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33902	7.3
59.01378	53.9
61.98822	28.8
69.40464	16.3
69.40869	22.1
70.47408	6.6
75.83566	6.8
77.84885	5.9
80.76579	7.7
89.07547	6.7
91.04011	19.7
96.95985	12.8
98.36016	6.7
99.92577	40.9
100.93382	31.7
101.01297	6.1
111.61948	6.6
115.92055	60.3
116.92857	61.8
135.04489	6.5
160.84256	11.5
171.10236	9.5
201.11284	8.5
221.15450	100.0
242.28059	7.9
248.11348	6.4
265.01849	7.7
275.16577	11.3
391.12067	39.8
409.13171	13.3
427.14435	15.0
427.27234	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	428.1059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	9.1
60.00385	2.2
61.98817	4.5
69.85374	5.5
90.73183	2.0
96.96000	16.0
97.40510	2.3
99.92587	76.8
100.92630	2.9
100.93346	2.9
115.92087	9.5
116.92871	13.0
118.89980	73.7
119.89975	4.2
119.90755	5.0
134.89429	7.9
135.90242	24.7
141.93588	2.8
152.87607	2.0
167.10693	2.0
184.42700	1.9
266.30161	2.0
317.40714	2.6
392.12784	11.2
393.13727	2.7
428.10599	100.0
429.10764	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	428.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	16.8
61.98829	2.0
71.01371	6.7
72.99289	1.2
73.02947	2.3
83.01387	1.9
84.95132	1.8
85.02950	2.8
87.00870	4.9
89.02440	4.0
94.91398	1.1
99.00886	2.1
101.02444	6.0
102.02804	1.6
112.98802	3.5
113.02433	2.2
121.02986	4.2
123.79497	1.1
124.44603	1.3
125.02435	1.4
131.03528	1.9
133.02951	7.2
134.03703	3.6
135.03604	2.1
135.04530	27.3
137.02437	1.9
139.47568	1.2
149.00940	13.2
149.02432	32.2
149.04478	3.1
155.01758	2.5
161.02444	22.6
163.03975	2.9
164.04788	39.2
179.03508	35.6
179.07095	14.6
193.01402	1.4
208.03726	16.6
219.03044	3.2
223.06114	100.0
224.06445	3.9
235.11842	4.9
236.03406	1.4
236.12302	2.2
293.03061	9.4
311.04025	2.2
340.61441	1.3
367.16107	7.6
368.16443	14.7
385.11429	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	428.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90284	3.2
59.01379	100.0
60.01713	3.4
61.98826	26.4
69.09004	17.9
71.01385	14.1
73.02542	2.8
73.02952	10.9
74.73963	3.7
85.02985	4.7
86.10287	3.3
89.02480	7.2
96.96023	6.8
101.02448	13.1
113.02470	9.7
115.72230	3.7
152.19452	3.1
161.04573	5.4
203.24489	3.3
263.24533	3.1
265.56079	3.2
338.56696	3.2
429.19675	9.7
453.96860	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	428.184
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39706	31.5
59.01378	100.0
61.98827	96.7
70.02172	33.6
70.87999	67.9
106.06306	34.1
109.18507	32.4
121.21560	34.1
126.89175	33.0
247.36084	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	428.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02079	7.2
59.01378	100.0
61.42755	7.3
61.98826	13.1
65.10654	6.9
71.01396	50.4
71.06216	9.6
85.02956	7.6
89.02443	70.3
101.02461	23.6
113.02438	19.8
119.03502	25.8
137.97607	7.0
161.04597	23.7
179.05594	39.9
194.61378	7.5
329.14648	8.9
428.19376	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	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63496	9.6
58.07064	9.5
59.01384	100.0
59.93902	10.6
62.04696	10.0
69.26192	40.0
69.26600	19.8
71.01376	63.9
87.00894	15.8
88.04045	10.2
89.02447	74.7
90.26753	10.0
98.21885	22.0
101.02488	19.3
104.27338	9.7
112.98779	14.9
113.02430	16.8
119.03478	22.7
121.92408	11.6
133.02943	22.9
135.04549	77.9
136.88152	10.1
143.03394	12.5
149.00916	40.2
161.02460	62.8
161.04604	14.0
168.32877	11.2
179.03462	80.7
179.05688	56.3
181.91365	10.6
193.51704	11.7
246.20140	10.5
285.38074	9.8
293.03040	21.9
295.58572	9.7
302.63931	9.2
344.53967	11.4
348.00739	12.1
358.46671	11.4
364.00064	12.5
428.18866	37.3
428.25034	26.4
429.23770	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	428.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16512	7.4
59.01374	59.9
59.60708	8.1
70.98611	9.0
71.01373	55.8
73.02965	10.2
85.02945	20.0
89.02457	32.1
101.02452	35.1
113.02456	28.0
119.03513	12.4
125.06122	11.4
138.06926	7.4
152.08418	36.1
153.09215	95.1
161.04567	52.2
185.96112	7.9
205.12346	39.7
223.13446	57.1
229.40939	8.8
385.18665	100.0
416.88715	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	428.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01475	10.0
59.01380	100.0
63.53826	11.1
69.39586	42.5
71.01389	22.2
73.02946	18.4
84.33495	10.1
87.69678	10.7
89.02444	32.8
101.02457	30.7
103.04025	17.2
119.03500	18.2
123.35461	9.9
144.35202	13.1
163.06099	18.0
294.31729	10.9
375.20102	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	428.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	73.0
60.01702	5.2
61.98831	42.7
69.73873	12.9
69.74216	3.8
71.56087	3.3
91.38701	3.2
92.92766	4.7
94.92509	4.2
96.95998	8.9
99.92580	5.2
112.03204	3.2
114.24571	3.7
120.89738	4.0
154.22093	4.0
200.10458	5.2
221.50534	3.5
284.14957	3.9
293.21210	13.1
294.21661	4.7
311.22299	100.0
312.22568	10.6
385.25845	8.8
414.80377	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	429.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89859	0.7
57.03444	1.8
58.00597	1.6
59.01379	88.1
61.98845	1.1
69.03465	6.3
69.24196	4.3
71.01382	86.5
72.01722	0.9
72.99306	2.7
73.02937	8.7
78.95909	2.4
81.03449	3.8
83.01376	5.0
85.02949	12.4
87.00886	3.7
89.02445	89.8
90.02754	1.2
95.01379	1.3
95.77661	0.7
96.53001	0.8
96.96037	1.1
97.02963	10.5
98.22646	1.6
99.00872	2.1
101.02449	17.5
106.04252	6.5
107.05038	28.4
111.00859	1.3
112.98846	1.6
113.02454	12.2
113.23120	0.8
117.00481	1.4
119.03538	2.6
123.04551	2.1
125.02457	29.4
125.03397	1.7
126.02815	1.0
130.08719	2.5
131.03511	20.1
131.04463	1.6
132.03815	1.0
133.02956	1.8
134.03751	1.6
134.04709	1.2
135.04530	100.0
136.04874	3.1
139.04066	1.8
141.00461	0.8
143.03523	3.2
144.99963	1.5
145.09743	1.2
149.00974	0.9
149.04553	25.1
157.03661	0.8
160.04059	1.8
161.02477	5.1
179.03500	2.6
191.05592	10.2
193.75743	0.9
201.00455	1.3
201.02467	1.1
210.02878	0.7
217.00549	0.9
233.06683	7.2
283.01828	0.8
287.01102	1.9
288.07578	1.0
293.08780	23.6
294.09113	1.7
350.53329	0.8
351.02679	0.9
369.07227	0.9
382.99573	1.0
429.20508	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
55.01879	1.5
55.71325	0.5
57.03434	0.6
58.00604	1.0
59.01379	84.3
59.31842	0.4
60.01703	0.5
69.03458	7.4
70.73830	0.5
71.01382	85.6
71.43396	0.4
72.99295	1.2
73.02946	6.8
79.01916	1.5
81.03458	5.5
83.01373	4.3
85.02947	10.5
87.00871	3.3
89.02444	86.9
90.02791	1.0
93.03466	0.8
95.01401	1.3
95.05015	0.5
97.02954	11.0
99.00873	1.7
101.02442	17.0
106.04240	5.4
107.01390	0.5
107.05028	26.8
111.00894	0.6
113.02450	12.0
113.03603	0.8
115.03998	0.6
119.03509	3.3
119.04906	0.7
123.04542	2.7
125.02448	30.5
131.03513	19.1
131.04602	1.9
132.03857	0.7
134.03754	1.2
135.04527	100.0
136.04861	3.7
139.04013	1.3
143.03499	3.5
149.04553	25.6
161.04536	0.9
173.04504	0.7
185.84578	0.4
191.05603	10.8
192.05974	0.5
233.06641	8.0
248.92076	0.6
293.08774	28.5
294.09201	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1399
Annotation	Bungeiside C
Peak:m/z	Relative Intensity
52.95396	0.5
55.01882	1.8
57.03455	1.1
58.00583	1.3
58.41801	0.5
59.01379	87.1
60.01695	0.7
69.03456	6.8
70.15282	1.3
71.01380	88.9
72.01755	0.6
72.17218	0.6
72.99305	1.7
73.02944	6.7
74.34776	0.6
79.01882	1.1
81.03459	4.9
83.01389	4.5
85.02944	12.2
87.00876	2.2
89.02443	94.3
90.02771	1.0
93.03461	0.9
95.01380	1.1
97.02953	10.1
99.00850	1.6
99.47022	0.6
101.02450	16.8
102.23132	0.6
106.04252	8.1
107.05026	28.6
111.00897	0.9
113.02456	12.8
119.03535	3.5
123.04533	2.1
125.02446	31.7
126.02737	0.9
131.03505	20.0
134.03755	1.0
134.54712	0.6
135.04526	100.0
136.04854	3.9
139.04008	1.5
143.03500	4.0
149.04555	27.9
150.04930	0.7
153.31361	0.5
161.02405	0.7
161.04552	1.1
191.05627	11.3
208.68288	0.5
233.06662	8.4
246.50252	0.6
293.08795	27.4
294.09128	1.7
337.57718	0.6
359.88681	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85651	0.1
54.58840	0.1
59.01381	1.4
61.98858	0.2
62.88341	0.1
69.39986	0.6
71.01415	0.3
71.84284	0.1
77.06725	0.1
78.62503	0.1
89.02502	0.2
93.03458	6.6
102.67900	0.1
109.02959	0.6
117.03471	1.8
118.03005	2.5
118.88053	0.1
119.05021	2.0
119.62070	0.2
120.04581	0.7
120.05360	0.1
121.02957	0.2
131.03835	0.4
132.04594	0.3
133.02998	0.4
134.02478	0.2
135.04564	0.3
144.04555	1.0
145.02959	1.9
146.02531	0.5
147.03316	1.1
147.04582	2.3
148.04050	0.2
157.05408	0.4
158.06053	0.3
159.03331	0.3
160.04033	1.8
160.05099	0.2
161.04419	0.2
167.65237	0.1
172.04062	1.7
173.04823	2.1
174.05612	2.8
176.90149	0.1
193.06667	0.6
194.06053	0.2
195.06876	0.2
196.07753	0.5
197.06049	0.2
208.07690	0.3
209.06149	0.5
210.07179	0.3
210.09274	0.6
211.07674	0.7
212.04675	0.1
220.05594	0.2
220.07698	0.4
221.06070	7.6
222.06862	1.1
223.04462	0.1
223.06287	0.7
224.04871	0.5
224.07213	0.9
225.05574	0.1
237.05588	2.9
237.07841	0.2
238.06433	27.9
238.08536	1.1
239.07144	22.5
240.07587	2.1
247.06419	0.3
248.07085	0.8
249.07933	0.4
250.05032	0.2
251.05798	1.3
252.06729	0.9
264.06705	0.5
265.07449	2.8
265.10095	0.2
266.08209	100.0
267.08939	56.2
268.09305	3.5
280.09808	0.3
286.41565	0.1
321.30362	0.2
399.26068	0.2
429.14249	36.8
430.14606	4.1
430.20554	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82984	14.0
59.01380	100.0
69.56734	34.0
69.57118	29.5
70.40795	11.9
71.01377	19.2
80.90407	13.2
89.02454	26.4
91.12760	13.0
134.03743	40.5
135.25526	14.9
149.06073	30.1
176.20071	13.2
178.02704	20.1
179.86754	15.2
208.96497	13.1
212.87370	16.7
277.43970	12.1
320.23157	13.4
402.90479	13.5
429.14401	90.0
430.14954	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	429.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
61.98829	21.9
67.76857	1.8
69.44033	4.1
84.93871	4.2
87.00684	1.8
91.37798	1.7
96.96007	3.2
99.92584	45.4
100.92677	2.3
100.93359	34.8
115.92078	52.6
116.92860	100.0
117.92877	4.1
119.96029	1.6
125.09722	1.8
139.11288	2.2
141.20943	1.6
153.09242	2.7
171.10329	3.4
188.26030	1.6
248.05174	1.9
272.04303	1.7
293.05005	8.1
329.23291	7.2
369.18585	1.9
375.12869	10.9
389.10635	2.4
393.08774	3.1
393.13721	38.6
393.18661	3.0
394.13846	6.3
407.11642	7.5
411.14676	5.5
429.15817	34.3
429.20984	3.6
430.16489	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
62.79739	0.3
69.35545	1.5
70.87241	0.3
74.37753	0.3
75.09891	0.3
84.93877	0.5
95.42559	0.3
99.92583	7.9
100.93363	56.8
101.93382	2.4
113.52788	0.3
115.92077	100.0
116.92088	4.4
116.92868	8.3
132.92331	0.9
142.94398	0.8
172.95470	4.7
210.41858	0.3
211.01436	0.3
255.23349	1.2
381.17413	0.5
429.19547	4.3
430.19550	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51839	0.3
55.01874	0.6
57.03453	1.1
58.00579	0.5
59.01376	100.0
60.01711	0.6
65.39406	0.3
69.03459	0.6
71.01379	22.9
72.99290	0.4
73.02943	24.6
75.00862	0.5
81.31632	0.4
81.97899	0.4
82.95431	0.4
83.01391	6.1
85.02946	6.6
87.00876	1.2
89.02444	10.4
95.01379	1.9
97.02947	0.6
98.22592	1.1
99.00906	1.5
101.02441	24.3
113.02448	12.6
119.03488	3.9
124.76866	0.3
125.02472	1.6
131.03529	1.1
135.04529	1.0
135.94173	0.4
143.03525	1.7
149.04565	1.7
152.08430	4.4
153.09270	1.0
155.03441	0.5
155.10788	0.6
159.03047	0.6
161.04565	5.8
171.40977	0.4
174.94176	0.4
177.33351	0.4
179.05583	0.8
190.88098	0.4
203.10895	0.9
213.71428	0.4
221.06664	0.6
222.34909	0.4
225.14938	3.7
369.19147	13.9
370.19687	1.2
372.18051	0.6
387.20212	25.9
388.20615	2.4
429.21210	5.4
430.21417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67817	0.4
51.91527	0.3
55.01874	0.4
59.01380	100.0
60.01719	0.9
70.51396	0.5
71.01382	3.5
73.02948	1.1
85.02977	1.1
87.00896	0.6
87.50011	0.4
89.02435	2.6
95.01370	0.4
101.02438	2.8
103.04033	0.4
108.10680	0.4
113.02515	1.8
119.03543	1.1
125.02440	0.5
127.76324	0.3
129.36244	0.4
143.03442	0.4
147.90590	0.4
155.12404	0.4
159.36832	0.4
161.04619	0.5
163.06155	0.8
169.98605	0.4
189.12888	1.1
290.60825	0.4
305.06982	0.4
387.20380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.5
56.93895	0.4
57.03450	1.3
59.01380	100.0
60.01717	1.5
61.98841	1.5
62.61474	0.4
70.76470	0.7
71.01382	22.9
72.10332	0.5
73.02948	5.6
73.98304	0.7
75.00874	0.6
83.01384	3.4
84.96561	0.4
85.02952	11.8
85.21796	0.5
87.00883	0.9
89.02443	8.2
95.01367	3.4
96.96030	1.1
97.02983	0.6
99.00868	1.3
101.02444	10.9
103.76384	0.5
113.02450	20.6
114.02801	0.6
119.03500	3.4
125.02448	0.5
131.03574	0.7
143.03549	1.5
146.06223	0.5
149.04535	0.5
152.08452	5.2
153.09172	1.1
161.04570	5.9
179.05653	1.0
207.14067	0.6
210.12634	0.6
225.15002	3.2
267.06998	0.6
354.16943	1.5
369.19162	28.6
370.19485	2.2
385.21060	0.6
387.20245	15.4
387.25153	0.8
388.20444	0.9
422.28400	0.6
429.21317	2.2
430.22281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48101	0.7
58.86604	0.6
59.01380	100.0
61.98832	1.1
71.01382	10.8
73.02953	0.8
85.02978	1.9
85.26867	0.6
87.00894	1.0
89.02450	14.0
95.01407	0.8
96.95997	0.8
101.02441	6.5
113.02463	5.2
119.03502	6.2
128.82851	0.8
131.03526	1.0
137.09755	2.6
143.03539	1.5
161.04558	2.2
173.44807	0.7
179.05617	4.5
180.05865	0.6
274.35153	0.8
293.20102	0.8
426.92593	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93920	0.3
55.82024	0.3
59.01381	100.0
60.01721	1.0
61.98840	0.7
67.89334	0.3
69.09512	2.1
71.01384	8.4
73.02952	0.6
83.01422	0.3
85.02975	1.3
87.00900	0.4
89.02448	11.0
95.01434	0.4
101.02450	3.9
113.02452	3.5
119.03498	4.4
131.03516	0.8
143.03546	1.4
149.04587	0.5
161.04607	1.1
179.05667	2.5
334.88892	0.3
429.20834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98344	0.3
59.01380	100.0
59.08681	0.3
60.01713	1.1
60.49570	0.3
63.82507	0.3
66.39969	0.3
69.15057	0.8
69.15465	1.1
71.01382	3.8
73.02962	1.4
83.01389	0.4
85.02942	1.4
87.00881	0.5
89.02449	3.1
101.02445	2.6
113.02464	1.5
115.33736	0.3
119.03518	1.0
161.04599	0.8
163.06154	0.6
189.12888	1.3
300.04071	0.3
387.20190	1.1
437.00522	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95285	0.6
59.01380	100.0
59.57232	0.6
61.98830	9.3
70.89502	0.9
71.01375	4.7
73.02945	2.0
83.01370	0.7
85.02966	2.2
89.02452	1.0
101.02459	3.1
113.02489	1.9
128.03566	1.2
131.30956	0.6
160.04924	0.6
161.04547	0.6
167.26884	0.6
172.93716	0.6
219.75841	0.6
223.17068	5.6
267.15979	7.4
268.85291	0.6
277.03793	0.6
347.18845	0.9
369.22891	0.8
387.23859	3.9
429.03656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2853
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75466	0.6
59.01378	100.0
59.61491	0.6
61.98836	3.3
69.42851	2.9
78.95900	4.7
91.04005	1.6
103.01492	3.1
143.90033	0.7
152.99602	8.3
153.00856	0.9
195.13924	1.0
277.21890	0.9
295.22791	12.4
295.26089	0.8
429.20245	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01715	0.7
69.92091	1.9
83.28259	0.6
94.92524	0.7
98.22609	0.8
99.92612	0.9
103.46745	0.6
103.80954	0.7
118.90001	1.1
126.69224	0.7
126.86031	0.6
152.99614	1.1
171.10233	0.9
174.02757	0.6
185.66772	0.7
195.14008	0.9
210.17728	0.7
230.25447	0.7
259.88309	0.6
277.21817	1.3
295.22757	7.5
440.49274	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01705	1.1
61.98830	17.4
62.17132	0.5
78.95905	9.7
78.96338	0.9
83.94329	0.5
92.22867	0.5
96.97003	1.8
98.22701	1.0
99.92604	0.6
107.09548	0.6
150.98070	0.7
152.99591	19.5
171.00700	1.0
277.21890	1.8
295.22672	2.6
321.37991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01696	4.4
61.98836	30.2
69.13115	23.8
71.01378	24.1
84.95127	8.9
85.02953	5.4
89.02461	10.2
89.34252	3.4
95.96873	4.0
99.80752	3.8
101.02444	14.7
105.01936	4.5
113.02448	8.4
117.03505	6.0
119.03501	10.3
147.19864	3.8
149.00888	4.1
157.60265	4.1
161.02449	4.8
161.04517	4.1
232.04401	3.8
269.04492	6.3
269.18048	3.6
281.04565	5.6
283.06137	37.0
295.06070	4.4
311.05649	61.6
323.05576	5.7
331.08685	5.0
341.06531	26.0
362.66333	3.7
387.20169	4.7
388.20520	9.2
430.20895	11.5
431.09885	54.8
450.71579	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	430.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50276	49.1
59.01381	100.0
61.98815	60.0
70.75374	95.9
85.01385	54.0
119.43867	45.1
142.69379	57.1
148.17503	52.9
161.74335	44.2
190.91006	54.0
198.51312	58.3
304.04956	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01710	6.4
61.15018	3.1
61.98827	10.5
62.56552	2.7
67.50383	3.7
71.01379	22.7
73.02950	9.2
81.57673	3.2
82.48789	2.8
83.01428	4.0
85.02942	5.6
87.00880	3.7
89.02451	26.4
95.13815	2.7
101.02436	19.0
102.05573	2.8
113.02439	13.8
118.73017	2.9
119.03522	14.2
121.05560	3.0
122.24800	3.6
128.03513	3.5
130.77222	4.0
149.04608	3.9
161.04550	9.7
165.09239	15.9
179.05605	10.3
320.11523	3.6
387.20242	11.5
388.20639	6.1
430.20755	7.0
432.53622	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	430.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56177	13.4
59.01376	100.0
60.32119	12.9
69.34612	72.2
71.01387	32.6
79.73238	13.5
98.21870	30.6
101.02502	20.7
112.13670	14.5
124.60358	12.9
187.98756	24.2
216.48425	13.8
262.22748	15.7
304.05023	27.8
311.89145	16.2
334.23135	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	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45549	1.5
59.01381	57.2
60.01714	3.9
61.98831	100.0
70.09873	4.0
78.95905	7.9
99.92560	5.1
118.89981	5.1
152.99564	11.1
153.99965	2.2
167.47180	1.5
179.96408	1.5
205.32378	1.7
285.44431	1.9
430.12201	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65846	1.6
59.01368	6.4
61.98833	100.0
64.06053	1.8
64.51725	1.6
69.39042	6.3
78.26949	1.7
78.95908	40.2
96.96949	6.0
98.21894	2.4
152.99591	76.3
171.00688	2.1
295.82578	2.0
309.78696	2.0
431.22031	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	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.8
61.98830	100.0
71.46189	1.4
78.46841	1.3
78.91875	2.0
78.95872	1.1
80.91677	3.4
116.51781	1.1
216.56239	1.2
232.60588	1.4
283.06073	3.0
311.05554	4.7
333.20557	1.4
341.06680	1.6
349.23660	3.4
431.09729	3.1
431.23914	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	4.2
61.98831	21.3
70.96834	1.4
78.39297	1.0
83.55523	0.9
84.04554	2.7
84.97250	0.9
88.77515	0.9
102.05607	31.0
110.66273	0.9
112.28310	0.9
117.03474	2.0
118.17737	0.9
128.03542	57.5
129.03914	1.2
146.04601	7.9
221.19115	15.8
239.20169	3.4
265.18082	13.6
266.18561	1.4
269.04599	1.3
281.04507	1.6
282.05276	1.6
283.06149	9.7
283.19153	16.1
301.20206	27.9
302.20468	2.9
311.05676	15.7
323.05560	1.4
324.25482	2.0
341.06689	5.6
368.24640	1.2
386.25531	4.1
412.23456	3.9
430.24448	100.0
431.09842	11.6
431.24844	9.4
444.03738	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01380	5.0
60.01706	0.4
61.98829	0.6
65.00316	0.8
68.63908	0.4
69.78852	0.8
69.79201	0.8
71.01387	1.6
73.02938	1.3
77.03951	2.2
78.46358	0.4
79.01895	1.3
83.01398	0.6
85.02947	0.4
87.00881	0.6
89.02453	1.4
93.03455	1.8
95.01419	0.6
101.02453	2.6
103.04003	1.0
105.03478	0.7
105.79336	0.4
117.02647	0.6
117.03466	10.1
119.03506	0.4
119.05037	1.1
121.02960	2.4
122.79380	0.5
133.02942	0.6
135.04535	1.7
145.03032	0.4
149.02403	1.1
151.00430	0.7
159.04509	2.2
161.02452	5.1
163.00388	1.6
163.04033	2.4
163.06087	0.8
164.06490	0.6
165.01942	1.9
173.06075	0.5
175.04042	1.0
177.01990	0.6
181.06514	0.5
182.03725	1.2
183.04507	1.4
183.08159	1.5
185.02457	0.4
191.03477	0.6
196.05344	0.6
196.39223	0.4
197.06117	1.2
201.05473	0.6
209.06126	0.5
210.06917	1.1
211.07654	1.3
223.04295	0.4
224.04793	1.0
225.05438	0.7
226.29944	0.4
237.05646	0.7
238.06355	0.7
239.07027	2.4
240.04170	0.5
241.05060	0.5
253.05060	1.4
254.05843	1.1
264.69293	0.4
268.03787	2.5
269.04553	8.2
270.05090	0.5
281.04547	11.2
282.05301	9.2
283.06125	58.3
284.06531	3.9
293.04620	1.5
295.06131	7.0
296.06476	0.5
308.03305	1.1
309.04028	0.9
311.05624	100.0
312.05942	6.4
314.04193	1.3
323.05597	10.6
324.05920	0.7
325.07068	0.9
339.05029	0.6
341.06671	35.9
342.07059	2.6
353.06717	2.2
355.08087	0.5
371.07581	0.9
383.07968	0.5
395.07825	0.6
409.72739	0.4
413.08902	3.2
431.09824	70.3
432.10184	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	431.0985
Annotation	Isovitexin
Peak:m/z	Relative Intensity
59.01382	14.4
61.98817	2.6
68.87202	0.7
70.72932	1.1
71.01376	3.2
73.02931	1.0
77.03959	2.0
79.01918	0.9
83.01398	1.2
85.02933	1.1
93.03459	2.2
101.02435	1.3
102.05604	3.9
105.01931	8.3
106.02264	1.3
107.02393	2.3
113.02431	1.6
117.03487	8.3
119.03459	0.8
119.05052	1.8
121.02957	1.7
125.02377	0.9
128.03529	5.8
133.02968	2.5
135.04530	2.8
136.04890	1.1
149.02470	0.9
159.04507	2.3
161.02446	10.0
162.02797	3.9
163.02859	1.9
163.04027	2.1
165.01991	1.9
175.04080	1.2
179.03558	1.1
183.04475	1.3
183.08195	1.1
211.07657	0.9
227.07076	1.1
239.07184	1.9
253.05037	1.8
267.05109	2.2
268.05600	1.5
269.04541	7.8
269.17633	1.8
270.05161	0.9
281.04553	12.5
282.05307	7.5
283.06122	55.1
284.06427	2.4
293.04514	1.8
295.06107	6.4
301.20313	3.8
302.20593	1.9
309.04120	1.3
311.05609	100.0
312.05881	8.1
314.04245	1.7
323.05673	10.1
341.06659	38.0
342.06989	2.9
353.06763	2.6
413.08777	3.4
430.24350	3.9
431.09824	70.8
431.23398	3.7
432.10214	7.3
432.18246	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	431.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.6
57.63494	0.4
59.01381	24.2
61.98830	2.3
65.55049	0.5
71.01389	3.7
71.42840	0.4
73.02943	1.2
83.01373	0.8
85.02949	1.4
87.00835	0.5
89.02468	1.1
93.03400	0.5
95.01403	0.7
95.05070	0.5
100.60789	0.4
101.02435	1.5
105.03424	0.5
106.04234	0.9
113.02451	1.6
116.49358	0.4
121.02975	2.2
123.00886	1.3
124.01654	1.8
129.06549	0.5
132.02147	3.2
133.02998	2.0
137.02470	1.4
137.72388	0.4
138.03223	1.0
139.04024	2.4
145.02899	2.5
151.04048	1.0
153.05640	2.0
159.03006	0.4
160.01683	6.3
161.02449	62.2
162.02902	2.9
163.04047	2.6
173.02446	5.6
174.03281	2.0
175.04010	16.4
176.04791	56.6
177.05180	2.8
188.04852	2.9
189.05577	2.3
190.02687	2.1
190.06364	10.1
191.03522	9.9
191.07147	10.1
192.03850	0.6
201.05397	1.0
203.03494	0.6
203.07138	1.3
205.03200	0.8
205.05069	11.2
206.05838	10.4
207.06140	0.6
213.05592	0.9
220.07457	3.9
221.08191	20.3
222.08534	1.2
225.05540	2.4
228.07864	0.5
235.04039	0.8
236.04771	0.6
237.05623	0.6
240.07910	0.5
241.05078	1.7
252.04314	0.6
253.05069	6.5
255.06522	0.9
256.07285	0.5
263.03458	0.6
264.04306	1.1
265.05051	1.4
267.06604	1.3
268.04193	0.5
268.07419	3.4
269.04590	3.0
269.07333	0.6
279.03000	1.1
280.03824	1.6
281.04630	4.5
282.05176	1.1
283.06082	1.5
283.09799	1.5
284.07037	0.7
292.04053	0.6
293.04553	2.2
294.05453	0.6
295.06171	1.7
296.03491	1.1
296.06931	2.5
297.04047	7.2
307.06107	0.9
308.03366	0.8
308.06979	1.5
309.04050	3.5
309.07541	0.8
310.08560	0.6
311.05612	5.0
311.09274	2.6
312.06396	7.2
312.09814	0.3
313.06647	0.5
323.05603	1.4
323.09378	1.2
324.06366	5.6
326.07892	4.1
327.08716	10.6
328.09174	0.8
338.07913	0.8
339.08719	21.9
340.09076	1.1
341.06763	0.6
341.10342	3.3
342.11072	5.9
353.10251	1.3
353.19510	0.6
354.11066	19.6
355.11606	1.7
356.09003	0.7
357.13440	100.0
358.13782	9.2
369.13464	3.6
371.20898	2.1
372.12253	0.7
386.10229	0.7
387.14651	3.1
389.21759	1.9
401.12317	2.6
413.12448	13.9
414.12900	1.3
431.09662	0.7
431.22885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81900	0.5
59.01380	100.0
60.01719	0.5
60.11880	0.6
61.98830	1.4
69.44801	1.2
69.45193	1.0
71.01382	4.5
72.99326	0.9
73.02954	1.3
77.03977	1.1
79.01888	1.1
83.01389	0.7
85.02973	1.7
89.02457	2.3
93.03478	1.1
99.00861	0.8
101.02461	2.2
113.02458	1.8
113.29432	0.6
117.03452	3.4
119.03507	1.2
121.02966	0.9
135.04572	0.8
151.04053	2.4
159.04568	0.9
161.02464	2.4
161.04590	1.6
163.00293	0.8
163.03987	1.0
165.01955	0.9
179.03506	23.0
180.56284	0.5
189.12982	0.7
194.05844	33.9
195.06262	1.1
199.48531	0.6
209.08192	67.4
210.08583	2.7
211.07690	1.0
224.04861	0.8
239.07137	1.8
268.03799	1.6
269.04663	3.6
281.04541	5.9
282.05396	3.9
283.06107	26.2
284.06497	1.5
293.04617	1.0
295.05997	3.8
298.20038	0.6
311.05618	46.7
312.05957	2.8
314.04446	0.7
323.05530	5.3
341.06644	18.1
342.07007	1.2
353.06610	0.8
397.99121	0.7
413.08786	2.1
431.09827	31.7
431.19122	3.2
431.23541	1.6
432.04303	1.3
432.10104	3.0
432.19052	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.1
59.01379	100.0
60.01699	1.1
61.98835	1.2
65.65887	0.4
67.05060	0.4
71.01386	1.3
71.44508	0.6
79.07648	0.4
87.00912	0.5
88.98820	0.5
89.02454	0.5
93.03502	1.0
101.02441	0.5
107.05077	0.4
109.02968	1.2
112.98827	0.7
113.51842	0.5
123.04533	1.2
125.02450	5.8
129.06711	0.4
135.04546	2.1
137.02426	2.8
149.02460	0.9
151.04039	2.1
161.02452	4.8
161.04468	0.7
163.00484	0.6
164.04788	0.7
176.04759	2.3
177.02031	0.5
179.03513	7.1
179.07100	0.5
191.07178	1.0
194.05829	6.4
194.07365	0.6
205.16718	0.5
209.08194	17.3
210.08618	0.9
223.06169	1.7
250.84088	0.4
269.02982	0.7
285.04221	0.6
289.07053	0.6
311.05731	0.5
387.18661	0.7
431.10117	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1556
Annotation	Osmanthuside H
Peak:m/z	Relative Intensity
52.81327	3.6
59.01381	100.0
61.98822	5.8
69.03446	10.8
71.01386	74.8
73.02939	8.2
74.12354	2.9
76.62636	3.4
81.03403	3.9
83.01396	4.4
85.02954	11.4
89.02451	81.9
97.02941	7.2
101.02451	21.4
106.04183	3.8
111.41630	3.8
113.02448	10.4
119.05010	9.7
121.48306	3.3
125.02460	29.8
131.03557	24.1
135.04504	3.8
137.06097	73.0
138.06358	4.1
149.04576	23.3
191.05598	12.9
233.06599	6.8
237.34734	3.5
251.85471	3.4
293.08850	20.5
339.53329	3.3
366.87674	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	431.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98827	25.3
62.29966	7.1
69.36884	22.7
69.37294	16.8
71.01398	18.7
78.60860	6.6
79.43719	6.3
82.95423	29.9
85.02950	10.5
89.02452	28.2
98.21848	15.9
101.02413	17.5
111.51881	7.1
113.02479	7.7
119.03518	10.6
165.09221	20.7
175.93062	8.9
352.08026	7.0
431.17117	52.8
431.22186	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	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96384	0.2
59.01354	0.3
61.98832	0.4
67.11716	0.2
69.14468	0.3
78.95902	59.5
96.96954	5.8
150.98018	1.7
152.99586	100.0
153.99937	0.8
171.00655	3.6
177.74869	0.3
240.54689	0.3
276.91934	0.3
277.21677	0.9
395.28061	0.3
431.22015	10.2
432.22318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.62901	0.2
59.01380	0.5
64.10059	0.2
70.09645	0.6
78.95904	55.0
96.96957	6.9
139.92006	0.2
150.98051	2.0
152.99588	100.0
153.99933	1.4
171.00641	4.6
277.21750	0.5
431.22034	6.9
432.22247	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36849	0.2
66.06031	0.3
69.81434	0.9
70.64317	0.2
78.95904	52.5
96.96010	0.6
96.96962	6.8
98.22621	0.3
113.36079	0.2
115.41252	0.3
146.97894	0.3
150.98001	1.5
152.99588	100.0
153.99913	1.5
165.29811	0.2
171.00639	4.1
263.37918	0.3
277.21808	0.9
415.33948	0.3
431.22003	8.0
432.22134	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08801	0.2
58.76789	0.3
69.19238	0.6
69.19643	0.8
78.95905	70.1
96.96971	6.2
98.22615	0.5
127.60191	0.3
141.25317	0.2
150.98000	1.4
152.99593	100.0
153.99936	1.2
171.00652	2.8
230.28647	0.2
273.38400	0.2
277.21762	0.9
316.39719	0.2
431.22015	15.8
432.22513	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04829	0.5
59.01379	100.0
60.01705	0.6
61.13706	0.5
61.98838	0.7
67.28114	0.4
69.15128	2.8
69.71830	0.5
71.01381	2.9
89.02443	6.0
98.22613	1.0
101.02460	2.0
109.06618	0.5
113.02482	1.3
119.03487	2.5
143.03517	0.6
161.04703	0.6
179.05681	1.4
291.22589	0.6
300.04007	0.6
311.05875	0.6
333.71854	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41171	0.4
53.67445	0.6
55.01875	0.8
57.03445	0.9
59.01379	100.0
60.01709	0.9
61.98830	2.3
69.38352	1.9
71.01385	7.9
73.02944	3.8
80.37656	0.4
81.80593	0.4
83.01400	1.5
85.02947	5.4
89.02451	3.0
92.61561	0.4
95.01414	1.1
98.21859	0.8
99.00909	0.9
101.02443	8.1
101.28591	0.4
113.02442	4.6
119.03548	0.7
120.15331	0.4
143.03532	0.7
159.03003	1.7
161.04552	7.8
162.05029	0.5
209.15416	1.2
294.90723	0.4
327.62540	0.5
328.64890	0.5
371.20718	24.6
372.21170	1.5
431.23129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80067	1.0
55.62103	0.8
59.01379	100.0
61.98825	3.2
64.85313	0.9
69.24205	5.2
70.02960	3.0
71.01374	4.8
77.03961	2.4
77.66605	0.9
87.92844	0.9
89.02440	4.1
93.03476	1.1
96.00894	7.6
99.78519	0.8
101.02438	4.2
113.02433	3.0
113.03558	2.0
114.01961	4.2
117.03466	4.4
119.03481	3.2
119.05025	2.7
131.04642	1.7
135.04538	1.3
143.03523	1.1
145.02895	1.4
149.02382	0.9
161.02435	2.5
161.56416	0.9
163.03969	1.9
165.01886	1.4
174.05595	0.9
181.16478	0.9
211.07758	1.1
238.18129	4.4
239.07236	1.1
256.19235	1.8
268.03696	1.4
269.04544	5.1
281.04495	6.5
282.05380	4.3
283.06107	28.4
284.06436	2.4
293.04565	1.4
295.06140	3.3
303.20099	1.0
309.04041	1.5
311.05618	50.9
312.05923	3.3
314.04422	1.1
316.21228	3.8
323.05591	5.1
341.06668	15.1
342.06888	1.4
370.21957	1.4
371.21155	1.8
395.16034	3.6
413.08600	1.5
413.23029	3.5
423.34451	1.0
431.09818	33.6
431.18457	2.0
431.23926	25.2
432.10123	3.2
432.24200	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Radiosumin
Peak:m/z	Relative Intensity
55.01879	0.8
57.03448	0.6
59.01381	100.0
60.01715	1.3
61.98828	12.6
71.01381	13.1
71.11073	0.7
73.02949	31.9
75.75629	0.6
83.01395	1.6
85.02942	6.2
87.00884	1.2
89.02437	4.7
96.68315	0.6
98.21889	2.1
99.00851	0.8
101.02455	9.7
101.44447	0.7
104.22669	0.7
112.98827	0.6
113.02440	5.9
119.03521	1.6
121.06580	1.2
143.03488	0.9
159.03012	1.2
161.04552	5.8
179.05620	1.3
209.15462	0.8
215.73689	0.7
276.79211	0.6
283.06076	1.4
283.19159	3.5
300.21835	3.9
311.05502	2.3
321.20660	0.7
371.20752	14.4
372.21216	1.0
389.21671	0.9
413.21555	0.9
422.12234	0.7
431.09961	1.9
431.22827	37.0
432.22763	3.8
432.68344	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68534	0.4
55.01882	0.7
55.03646	0.4
57.03445	0.9
59.01382	100.0
59.19127	0.4
60.01720	1.0
61.98831	4.0
71.01385	9.2
71.07999	0.4
73.02950	4.0
76.28885	0.5
83.01395	1.5
85.02962	3.7
87.00887	0.6
89.02447	3.2
93.07433	0.4
95.01402	0.7
99.00919	1.3
101.02446	8.0
113.02454	4.2
119.03528	1.4
125.37858	0.4
159.03073	1.1
161.04562	8.1
190.42912	0.4
209.15498	1.3
210.15941	0.5
260.55792	0.4
269.04507	0.5
283.06161	1.4
311.05515	2.4
341.06714	0.6
371.20764	24.7
372.21231	1.6
431.09637	1.2
431.22931	1.6
432.19443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2804
Annotation	Plakortolide M
Peak:m/z	Relative Intensity
58.86943	2.2
59.01373	8.8
62.47279	2.4
69.16488	8.3
69.16893	5.1
81.03456	16.4
83.05045	2.5
108.45339	2.6
111.04552	13.7
121.45886	2.3
129.05609	26.9
151.07594	5.2
152.99611	4.6
182.33641	2.5
195.06607	18.4
253.17184	2.5
278.66269	2.3
301.21686	6.6
319.22806	73.8
320.23001	8.4
385.94165	2.3
431.21927	4.6
431.28009	100.0
432.28674	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	432.1662
Annotation	Naamidine D
Peak:m/z	Relative Intensity
51.92196	0.2
56.50955	0.2
59.01373	0.7
64.96524	0.2
69.30852	0.3
70.64409	0.5
71.01377	0.7
93.27497	0.3
106.13095	0.3
107.05047	0.6
125.02445	0.3
135.04503	3.0
147.03252	1.8
160.04047	0.3
161.04829	0.3
162.05611	100.0
163.05965	3.7
171.53104	0.3
190.10345	0.3
195.25377	0.2
199.79207	0.2
270.11353	41.8
271.11688	2.5
316.35782	0.3
432.16614	12.1
433.16959	1.6
445.69180	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22681	0.2
59.01379	5.9
61.98830	100.0
64.80574	0.3
69.20686	1.3
71.01385	0.3
71.78941	0.2
75.89519	0.2
85.45347	0.2
113.02457	0.3
129.04991	0.3
134.11638	0.2
139.52750	0.3
210.16850	0.3
242.54997	0.3
258.49161	0.3
331.45459	0.3
432.19189	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99988	0.4
51.88942	0.4
59.01380	6.3
61.98832	100.0
63.08437	0.4
69.46722	1.7
71.01402	0.5
72.96147	0.4
96.24790	0.4
98.22560	0.6
106.18882	0.4
117.15070	0.4
127.07166	0.4
142.38812	0.4
149.01054	0.4
167.98778	0.5
170.33971	0.4
189.36171	0.4
226.53551	0.4
283.05798	0.6
284.06482	1.0
311.05569	0.5
312.06198	2.1
342.07043	1.0
432.10403	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16951	0.4
59.01077	0.9
59.01381	24.1
61.98832	100.0
62.96582	0.4
65.28471	0.4
71.01397	1.2
73.02962	0.4
82.95419	0.9
88.04050	2.2
89.02450	0.5
101.02463	0.6
113.02434	0.4
115.00437	0.7
119.34206	0.4
247.56163	0.5
250.66885	0.4
255.19589	1.0
257.17664	1.1
284.06494	1.2
312.06085	1.6
316.21286	0.5
317.19800	1.5
328.21558	0.6
341.11578	0.4
432.10233	0.9
432.22375	4.4
441.45822	0.4
447.35080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	3.3
59.85522	1.1
61.98830	100.0
66.48421	1.3
69.17277	2.0
69.17673	5.0
73.98517	1.2
78.95901	3.9
98.22619	2.4
152.99599	4.1
188.14467	1.0
191.41168	1.2
203.80757	1.3
336.05078	1.4
338.21829	6.0
432.22803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64246	1.5
53.91480	1.3
56.67215	1.4
59.01377	8.2
61.01777	2.0
61.98828	100.0
69.43279	4.2
69.43674	2.2
72.66865	1.3
74.19332	1.3
78.95918	2.4
79.01524	1.4
82.71012	1.3
96.96010	1.9
98.22656	2.9
99.92595	2.3
120.89663	3.0
123.87751	4.6
136.89185	2.4
152.99605	2.6
159.93858	1.4
192.06635	1.4
192.95764	1.7
351.96252	1.4
440.53833	1.9
457.24252	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	4.7
71.01417	2.7
71.44182	3.0
78.95908	56.4
87.04517	7.9
96.96973	5.6
152.98366	5.7
152.99597	100.0
160.02133	3.1
171.00731	4.1
279.23151	4.7
301.21826	3.7
389.26816	30.2
433.23599	13.1
433.28604	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	433.114
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.48232	0.1
55.82422	0.1
57.03456	0.2
58.27821	0.1
59.01381	1.4
61.98819	0.4
63.02396	3.1
65.00321	9.5
68.99797	0.2
69.34692	0.7
71.01389	0.2
81.03439	0.2
83.01385	6.9
84.01733	0.2
93.03456	4.3
94.03811	0.2
95.01379	0.3
99.83036	0.1
107.01389	16.5
108.01707	0.3
108.99317	0.2
109.02950	0.4
117.03457	1.1
119.05025	33.4
120.05377	1.0
121.02962	0.4
125.02447	3.7
133.02939	0.5
137.02434	0.6
143.04999	1.2
145.02953	4.6
149.02455	0.5
151.00366	64.3
152.00700	1.7
153.01945	0.2
157.06624	0.3
161.06036	1.2
163.03983	0.2
164.01161	0.3
165.01930	5.7
166.02254	0.2
167.03548	0.2
167.05052	0.2
169.01413	2.7
170.01736	0.2
177.01920	4.5
177.03474	0.2
178.02290	0.2
179.03578	0.2
181.06514	0.2
185.06088	2.9
187.03999	2.8
191.13869	0.1
193.01419	0.5
198.06931	0.2
199.07687	0.4
203.07124	0.2
205.97820	0.2
207.02933	0.3
209.06049	0.3
225.05869	0.2
227.07118	3.4
227.09183	0.3
228.07317	0.2
229.05043	0.4
253.05072	0.7
267.06726	0.3
269.04617	0.5
271.06097	100.0
272.03458	0.3
272.06445	6.3
272.63861	0.2
295.06155	0.3
313.05508	4.5
314.06024	0.2
433.11368	12.2
434.11542	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1145
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
59.01379	27.6
61.02474	0.5
61.44122	0.5
61.98807	2.0
63.02378	2.3
65.00320	4.5
65.67326	0.5
66.36681	0.5
71.01371	1.3
71.38819	0.5
73.02943	0.5
83.01379	3.3
87.38059	0.5
93.03461	6.7
101.02446	0.6
107.01385	11.2
119.05022	32.9
120.05354	1.0
121.02905	0.7
125.02413	1.2
128.03503	0.6
145.02939	0.7
149.02406	0.7
151.00369	37.7
152.00716	1.1
161.02496	0.6
164.01224	0.5
165.01881	2.4
169.01422	1.0
175.00363	1.4
177.01955	4.7
179.03516	0.7
185.06036	0.5
187.04005	0.6
193.01387	0.8
209.15453	0.7
227.07028	0.8
253.14412	0.7
271.06107	100.0
271.15485	2.7
272.06482	7.1
283.06049	0.7
284.06482	0.9
285.06641	1.7
295.05960	0.7
301.20197	4.4
311.05591	0.9
312.05795	1.4
313.06436	3.8
341.24841	0.6
343.07175	1.3
433.10611	4.2
433.19733	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.15
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	46.7
61.98846	6.7
69.33176	20.1
71.31107	3.4
76.92148	4.1
95.01355	11.4
123.00842	8.4
128.55988	3.7
138.03191	7.8
139.00403	8.3
153.01962	4.4
153.05605	4.6
166.02686	4.8
181.05096	5.9
192.04233	6.2
192.95668	4.3
193.05034	12.7
197.11929	4.6
204.04327	4.2
209.11903	5.4
289.98560	4.1
343.08075	4.4
355.08105	3.7
358.10571	12.7
373.12997	37.8
403.09772	6.6
403.14142	13.1
418.12720	19.8
433.14993	100.0
434.15094	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	433.1504
Annotation	Lophodiol B
Peak:m/z	Relative Intensity
53.94190	1.8
59.01381	72.9
61.98832	17.5
62.44732	1.8
69.44003	6.9
70.85062	1.8
71.01379	4.6
73.02955	2.7
82.84628	1.7
83.01353	2.1
85.02972	3.0
87.00852	1.9
89.02440	3.5
95.01388	11.7
101.02448	2.8
111.00871	2.3
113.02431	2.4
123.00894	10.4
124.01649	4.5
136.01697	1.9
136.98732	2.0
137.02409	3.0
138.03238	8.1
139.00375	12.3
139.04030	3.6
147.04526	5.0
151.00302	4.2
152.01225	2.6
153.01907	3.2
153.05557	2.1
159.04501	1.9
162.03256	3.2
166.02695	12.3
175.03993	4.0
176.01201	2.4
177.01898	5.2
177.05603	3.1
178.02742	7.2
181.05063	14.3
189.01927	2.2
191.03554	5.4
192.04268	5.1
193.05055	13.0
197.11838	6.3
203.03499	13.5
204.04201	2.5
207.06685	5.5
218.05858	11.9
219.06509	2.7
223.06161	3.2
233.08157	7.4
290.90063	1.7
299.06079	1.9
301.20105	1.9
311.05804	2.4
338.08295	2.3
343.08191	5.5
355.08337	2.0
358.10596	11.6
359.10794	2.0
373.09256	2.7
373.12943	41.8
374.13135	2.9
385.13019	3.5
403.10117	8.3
403.14746	14.4
418.12677	16.5
433.15015	100.0
434.15298	6.7
434.20609	2.2
450.36060	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	433.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.3
61.98831	100.0
75.00875	0.8
85.36978	0.7
88.98824	1.0
96.79993	0.7
116.92876	1.2
117.75384	0.7
119.32192	0.7
121.68037	0.7
124.10423	0.7
125.87288	0.8
126.88110	1.4
135.79800	0.6
169.37981	0.8
184.92252	0.6
206.10670	0.7
229.41444	0.7
282.85553	0.8
305.17688	0.7
433.18085	4.4
433.26013	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	86.0
61.98827	100.0
70.84968	26.3
162.83894	18.6
178.46246	18.7
186.76228	19.0
190.14340	19.5
192.95761	42.7
209.11833	27.5
240.72664	19.4
404.59653	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	433.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	55.5
59.84650	27.4
61.98857	36.2
66.30601	30.9
66.69325	28.2
69.72942	100.0
87.20692	34.2
88.23054	32.0
91.10896	29.3
95.50073	26.7
98.22595	40.5
99.92615	28.9
100.10071	27.5
116.22587	29.4
237.15111	31.9
314.23483	41.2
370.08603	33.9
433.13596	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48124	0.3
58.19134	0.3
59.01378	100.0
60.01722	0.5
61.98823	1.4
69.21220	1.5
71.01391	0.9
74.40280	0.3
78.95902	0.3
83.34514	0.3
84.86114	0.3
85.02942	0.4
89.02425	0.4
91.30415	0.3
96.96014	2.1
101.02480	0.8
105.11377	0.3
113.02491	0.5
115.55769	0.3
119.03528	0.3
119.05056	0.3
145.03023	0.3
180.14020	0.3
192.95750	0.4
207.35320	0.3
240.41824	0.3
285.06827	0.4
313.06174	0.6
347.10263	0.7
393.26923	0.3
395.16187	0.5
405.63940	0.3
433.10483	0.6
433.15695	0.5
433.21484	0.3
434.20514	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	433.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12907	0.6
55.01870	0.6
59.01379	100.0
61.98830	1.2
70.99238	0.7
71.01395	3.5
73.02963	1.9
76.31199	0.5
83.61637	0.6
85.02941	1.3
86.35042	0.5
87.04546	0.7
89.02460	1.1
101.02464	2.6
113.02475	1.7
115.09005	0.5
119.03539	0.8
143.03651	0.7
161.04591	1.7
183.02399	0.5
271.09863	1.5
271.19263	1.5
292.73059	0.6
313.06058	0.7
313.16702	0.8
331.17468	3.8
351.21774	1.1
371.34311	0.6
373.18909	1.4
433.10568	0.9
433.28580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01685	2.1
61.98827	7.2
67.77829	2.1
69.79160	2.3
69.79494	6.5
71.01385	7.4
73.02935	2.9
80.22057	2.2
101.02455	4.7
110.50526	2.4
113.02473	3.8
113.05802	2.1
130.36752	2.0
131.74788	2.6
133.40376	2.2
192.95680	2.8
221.19185	4.7
239.09526	2.4
265.18121	4.2
283.19208	6.5
301.20200	34.6
313.16525	2.9
331.17615	8.2
333.72873	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	433.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.51831	0.2
62.96412	0.2
68.42014	0.2
71.08116	0.4
78.95903	52.1
87.18036	0.2
96.96960	5.9
135.63440	0.3
150.98029	1.7
152.99586	100.0
153.99945	1.1
155.94080	0.2
171.00652	4.1
184.10931	0.2
184.78763	0.3
279.23264	0.7
291.82016	0.3
293.16229	0.2
433.23581	8.9
434.24051	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28120	0.2
59.01380	0.5
59.73034	0.2
61.98829	0.4
62.37609	0.3
62.96389	0.5
69.60398	1.1
76.29060	0.3
78.95905	68.6
91.95285	0.3
96.96971	6.0
98.22639	0.6
130.08711	0.5
143.11884	0.5
150.98036	1.8
152.99593	100.0
153.99922	1.4
171.00642	2.9
192.95738	0.4
279.23187	1.5
397.30557	0.9
397.35434	0.3
433.23572	16.8
434.24033	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71289	0.3
70.38817	0.3
71.33548	0.3
72.84055	0.3
78.95901	58.0
96.96961	5.1
108.11643	0.3
110.42899	0.3
112.63037	0.3
115.51580	0.3
118.62470	0.3
150.98021	1.3
152.99582	100.0
153.99922	1.3
171.00636	3.8
243.39362	0.3
279.23267	1.3
295.67319	0.3
303.55835	0.3
354.41653	0.3
386.59030	0.3
433.23581	13.5
434.24039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61008	1.0
59.01378	47.7
59.20630	0.8
60.01697	5.1
61.01792	1.5
61.98828	100.0
67.07179	0.9
69.15336	1.0
69.15648	6.5
71.01384	3.4
72.99318	1.0
73.02950	1.6
76.02126	0.9
82.90012	1.0
85.02959	1.6
89.02452	2.9
98.21880	2.0
101.02417	2.5
108.13683	0.9
113.02442	1.2
119.03467	1.8
125.02448	1.2
127.07655	9.5
161.04506	1.1
162.83997	1.0
163.06139	1.2
179.91817	1.0
185.29219	0.9
207.58090	0.9
303.21744	1.2
313.11920	1.5
434.20560	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	434.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86770	0.8
59.01379	26.7
60.01715	3.8
61.98832	100.0
66.12143	0.8
67.45643	0.7
69.41006	4.1
71.01373	0.9
85.66806	0.7
89.02441	1.1
102.91292	0.9
136.01695	1.6
171.62990	0.8
302.20505	2.2
434.15369	1.2
434.20618	6.7
435.21106	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92033	0.3
59.01373	6.0
61.01802	0.3
61.98829	100.0
70.85670	0.5
71.01389	0.3
88.63974	0.4
89.02480	0.3
119.05012	2.6
129.86784	0.3
134.12057	0.3
134.35115	0.3
169.87576	0.3
228.06912	0.4
259.10809	0.7
267.63782	0.4
310.39066	0.4
365.37579	0.4
434.20972	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2546
Annotation	Anthriscifolcine B
Peak:m/z	Relative Intensity
59.01371	3.7
61.98827	4.1
66.76924	1.5
71.01384	9.3
71.43779	2.1
72.41994	1.6
88.04042	83.0
97.38677	1.4
98.06121	14.1
100.19289	1.5
115.00360	14.5
132.03036	35.9
144.30032	1.4
152.91673	1.5
167.57898	1.6
194.92696	1.7
319.22812	8.6
364.97958	1.8
372.25464	2.2
390.26563	3.3
434.25473	100.0
435.25705	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	434.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35606	10.6
60.96343	11.0
61.98815	44.7
68.34718	10.1
69.98090	41.3
71.70561	10.2
78.95893	11.9
82.95444	15.0
83.05033	20.7
98.21924	22.0
99.30766	10.4
99.92574	17.8
117.43026	12.8
125.87298	29.2
127.87035	29.9
152.99527	17.3
162.83882	22.1
170.06737	13.3
175.97221	12.8
326.18268	17.7
391.29593	100.0
398.12704	15.8
399.12265	18.5
400.86856	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	434.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	18.2
60.09450	11.2
61.98818	42.3
63.56707	10.4
68.86124	11.4
69.83423	37.8
91.02591	10.5
96.96049	12.7
98.21933	13.2
100.99827	14.6
102.44615	11.7
103.31197	10.8
125.87286	58.2
127.87026	100.0
128.87825	29.5
141.86903	14.0
141.88582	13.3
157.86292	11.5
160.84204	34.2
162.83917	69.4
187.78290	12.5
206.21539	13.5
298.97220	20.3
391.29425	41.0
397.12418	43.6
398.12769	69.2
399.12161	98.7
434.06253	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	435.1296
Annotation	Phloridzin
Peak:m/z	Relative Intensity
57.03445	1.9
59.01379	0.8
61.98831	0.3
63.02391	0.3
65.00322	0.8
69.03470	0.2
69.26048	1.0
73.02970	0.2
73.25750	0.2
74.54614	0.2
79.05558	0.2
81.03454	11.1
83.01382	4.1
93.03457	8.7
95.01359	0.3
95.05025	0.6
97.02975	0.2
99.04498	0.2
107.01382	1.3
107.66824	0.2
111.04502	0.4
119.05025	10.4
120.05392	0.2
121.02922	0.3
122.03724	0.2
123.04526	31.4
124.01654	0.3
124.04836	0.9
125.02447	15.4
125.92562	0.2
126.02751	0.4
135.04506	1.6
137.02420	0.4
139.04060	0.2
147.04520	0.3
149.02451	2.3
151.00383	2.9
152.01045	0.2
163.04044	0.6
164.50853	0.2
165.05569	0.5
166.02620	0.4
167.03502	82.1
168.03853	2.8
169.06622	0.4
171.04495	0.3
179.03496	8.8
180.03778	0.4
187.07663	0.5
189.05522	1.5
190.02829	0.2
191.03474	1.3
197.07973	0.2
211.07664	0.3
229.08669	0.7
248.42073	0.2
255.06538	0.8
273.07675	100.0
274.08020	6.4
278.81732	0.2
297.07635	0.5
315.08691	0.4
344.43988	0.2
435.12994	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	435.1296
Annotation	Trilobatin
Peak:m/z	Relative Intensity
51.05843	0.2
55.80243	0.2
57.03452	1.1
59.01376	2.4
61.98829	1.2
65.00320	0.6
69.03427	0.3
71.01372	0.7
81.03455	12.0
82.04291	0.2
83.01377	4.3
93.03460	5.4
94.14541	0.2
95.01379	0.3
95.05035	0.7
97.02945	0.6
97.75153	0.2
98.22601	0.5
99.04521	0.4
101.02425	0.2
107.01398	0.8
107.05047	0.3
109.02948	0.4
113.02458	0.2
119.05025	14.6
120.05364	0.3
121.02958	0.4
122.03706	0.3
123.04526	27.0
124.01660	0.3
124.04844	0.5
125.02446	10.3
131.01399	0.2
133.02957	0.3
135.04514	2.0
137.02495	1.0
137.06148	0.3
139.03990	0.8
147.04521	0.4
149.02403	1.9
151.00357	2.0
151.04004	0.8
152.01144	0.6
161.02483	0.3
163.04024	1.5
163.05156	0.3
165.01872	0.3
165.05579	0.4
166.02724	0.8
167.03493	75.5
168.03830	2.2
168.23334	0.2
175.00369	0.9
179.03500	5.2
181.05057	3.6
187.07646	0.8
189.05589	2.4
191.03490	9.4
192.03984	0.2
193.05034	0.4
197.83253	0.2
202.07576	0.2
203.03485	1.3
206.02313	0.3
209.04550	5.6
221.04546	2.6
229.08739	1.0
233.04472	0.4
255.06564	0.3
273.07681	100.0
274.08020	5.7
279.06564	0.3
287.09116	0.3
297.07684	20.6
298.07962	1.7
303.21335	0.3
315.08688	5.4
316.08853	0.4
327.08704	2.3
339.08789	0.5
345.09494	0.4
375.10938	0.6
385.46893	0.2
399.19385	0.2
417.11887	0.3
435.12927	5.8
435.18265	0.3
436.13275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80281	3.4
59.01376	100.0
70.66827	5.5
70.67186	4.5
71.01385	25.9
73.02947	67.7
82.95403	9.3
83.01382	16.8
89.02419	11.2
101.02432	42.9
103.22524	3.2
106.52144	3.5
113.02447	11.6
126.50737	3.6
149.04558	4.4
160.84152	4.5
161.04524	8.8
162.83972	6.4
183.94048	3.9
258.90906	3.7
309.63776	3.9
345.95090	4.1
452.17599	3.8
453.51511	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	435.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21104	0.8
59.01379	100.0
60.01704	1.2
60.59742	0.8
61.98836	5.2
69.63554	0.8
70.88268	1.0
71.01385	9.4
73.02943	5.8
73.32516	0.7
77.91506	0.9
83.01392	1.4
85.02962	1.9
89.02438	5.4
95.01390	0.9
99.00867	0.9
101.02454	8.0
104.92171	0.7
113.02451	3.1
119.03483	2.5
149.04561	1.5
161.04552	1.5
179.05664	1.3
303.36487	0.9
313.16528	2.6
355.17584	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28033	3.5
59.01377	60.3
61.98823	3.7
68.01884	3.2
69.33797	6.0
69.34196	14.3
71.01386	9.9
71.57397	3.6
77.41108	3.4
84.03022	3.0
85.06588	9.1
89.02457	4.5
93.03461	3.6
94.87019	3.2
96.33456	3.0
96.95998	6.4
101.02431	7.0
110.11835	3.1
113.06070	17.0
119.05027	75.6
131.07147	100.0
132.50624	3.5
145.02931	11.7
149.04546	4.4
173.08185	43.0
186.39096	3.3
189.78358	3.5
193.16054	3.7
196.18289	3.0
216.77873	4.3
263.07269	5.0
290.18631	4.8
316.16626	36.8
392.19772	3.6
393.17645	6.7
435.19406	46.1
436.22528	40.0
437.53079	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.8
61.98824	3.9
64.14111	0.8
69.73815	1.9
69.74210	1.8
71.01379	3.1
80.19428	1.0
85.02970	1.1
89.02458	2.0
93.03495	1.2
95.01388	1.0
96.29710	0.9
101.02450	1.5
109.02940	3.5
116.18159	1.0
116.92908	4.9
117.03504	1.0
119.05029	52.7
121.02932	1.1
123.00905	3.5
123.04552	1.2
124.01623	0.8
125.02455	2.1
127.07635	5.9
129.91016	0.9
137.02432	15.7
138.03099	1.1
139.04021	2.4
145.02969	13.2
149.02412	2.0
151.00372	28.4
151.04030	2.0
152.01120	3.9
152.04855	4.5
153.05573	1.3
163.03972	1.5
165.01953	1.5
166.02719	71.7
167.03442	5.1
171.75671	0.9
175.04008	3.0
177.01991	4.0
177.05455	1.0
179.03558	1.2
181.05066	100.0
182.05464	2.8
184.03780	1.1
189.05591	1.3
190.06439	2.0
191.03423	1.3
192.04185	1.3
193.05066	1.7
203.03653	0.9
205.05080	1.6
205.08786	1.4
207.06535	2.1
261.97836	0.9
290.18787	5.9
297.04037	3.7
303.21802	1.0
312.06409	2.9
316.09659	0.8
316.16626	19.9
327.08740	9.3
342.11038	7.8
347.98901	1.0
357.09177	1.3
357.13446	21.6
358.13882	2.4
359.11212	2.4
371.14630	1.0
375.10321	1.1
375.14600	5.2
387.10770	17.6
387.15009	1.7
388.11487	1.2
391.41064	1.0
402.13211	12.4
405.15417	3.5
417.15567	40.2
418.15903	2.4
435.21323	5.2
436.22433	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	435.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55108	0.3
56.05105	0.3
57.76350	0.2
59.01376	0.6
61.98832	100.0
69.45340	1.1
73.24075	0.2
84.70861	0.2
85.00421	0.3
89.62980	0.2
91.19770	0.3
103.01511	0.3
125.87344	2.1
126.88181	0.3
127.87073	0.8
139.88959	0.4
157.86342	0.5
159.86035	0.4
296.41672	0.3
319.84967	0.3
320.25870	0.3
375.15253	0.6
400.11349	0.6
417.72638	0.3
435.16760	0.3
436.08969	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	20.6
61.98811	41.4
66.97874	19.4
70.44252	48.9
100.37200	18.4
125.87300	23.8
127.87050	27.4
131.00641	18.4
150.62021	22.0
162.83931	61.8
194.92776	22.2
225.07689	21.6
237.14938	32.5
319.99988	22.5
352.91653	28.1
397.12375	23.2
399.12085	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	435.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64639	35.0
59.01373	42.5
61.98811	100.0
69.29731	35.3
70.86887	64.4
88.63980	38.1
88.78871	33.5
107.44182	37.1
109.85418	45.6
115.00328	37.4
188.39308	44.0
208.99448	36.8
238.15218	75.2
325.90463	55.9
352.91379	49.2
430.13116	39.4
435.21088	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2154
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92239	29.1
59.01385	54.7
61.98823	100.0
71.45311	29.5
78.67368	30.3
85.00447	84.3
100.94993	36.7
194.95583	36.0
246.89984	31.4
252.70927	37.3
352.91608	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80909	27.6
59.01383	75.0
61.98820	100.0
70.47418	54.9
91.77546	37.3
107.68603	25.8
126.85298	31.6
198.76175	33.7
381.42450	32.5
435.21695	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
60.22723	14.1
61.98830	43.1
62.41330	14.0
62.61071	14.2
64.46730	16.1
66.90965	14.0
70.64310	19.8
83.08796	21.2
89.50629	14.9
119.99684	18.2
196.45218	13.7
250.41896	18.9
279.20181	15.8
301.20233	16.7
435.21838	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61797	0.6
58.02960	0.9
59.01374	1.4
61.98823	1.3
64.26116	0.6
70.02986	4.5
70.85244	0.9
71.02499	2.1
72.00910	2.5
73.55391	0.6
78.26800	0.5
95.02506	6.4
111.02008	1.8
113.03575	29.4
114.01157	0.9
114.01972	22.1
131.04630	100.0
132.04977	1.7
156.26294	0.7
194.92972	0.7
255.64114	0.6
352.91711	0.8
382.45575	0.6
398.27972	0.7
435.19635	0.8
435.25089	9.4
436.25021	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2516
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
61.98832	0.6
67.82666	0.3
70.52728	0.5
78.95905	47.3
82.69530	0.3
86.75118	0.3
93.89227	0.3
96.96012	0.4
96.96966	5.8
98.22674	0.3
105.32841	0.3
114.89314	0.3
150.98021	1.7
152.99591	100.0
153.99956	1.3
171.00647	3.9
182.06366	0.3
204.56770	0.3
253.21735	0.5
267.23264	3.2
281.24893	0.9
330.64163	0.3
379.32632	0.3
384.77975	0.3
435.25116	10.5
435.31091	0.7
436.25620	0.8
452.48065	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2515
Annotation	LPA(18:1)
Peak:m/z	Relative Intensity
54.56201	0.3
59.03424	0.3
59.27420	0.2
62.96404	0.3
70.53838	0.5
78.95901	47.8
92.02618	0.2
95.67294	0.2
96.96962	6.3
97.06591	1.2
108.14609	0.3
114.02070	0.3
145.35509	0.2
150.98018	1.7
152.99585	100.0
153.99907	1.0
163.11290	2.1
171.00653	4.1
172.60690	0.3
259.16998	0.4
267.23193	0.6
281.24780	0.9
435.24722	9.5
436.25058	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13666	0.3
57.75443	0.4
59.01382	0.8
61.98831	100.0
63.77891	0.4
66.73446	0.4
70.59731	0.7
72.42161	0.4
93.03478	0.5
119.05040	2.0
123.04511	0.7
124.04922	0.4
125.02469	0.7
145.02983	0.4
167.03473	1.9
168.03906	1.4
179.03510	0.5
192.67184	0.4
193.92863	0.4
216.95946	0.4
242.38564	0.4
273.07800	1.5
274.08084	3.1
436.23026	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16590	7.2
58.68646	8.0
59.01380	94.3
61.98832	8.0
64.81802	6.8
69.33159	31.0
71.01391	43.8
73.02946	29.9
85.02937	19.8
87.00838	9.1
88.43806	7.2
89.02456	45.3
96.13696	6.7
98.22741	12.1
101.02423	65.5
103.04016	22.5
115.03977	10.0
119.03503	20.7
122.60970	7.1
131.03548	10.2
136.02481	8.6
143.03470	19.4
145.05019	8.4
163.06119	100.0
165.74600	7.9
205.07188	27.5
265.09271	12.3
314.65549	8.1
343.86844	7.3
344.42511	8.7
393.17731	71.4
394.17877	10.4
446.17065	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	436.2241
Annotation	N1,N8-Bis(4-coumaroyl)spermidine
Peak:m/z	Relative Intensity
63.81285	0.4
69.39661	1.5
72.03391	0.3
78.25409	0.3
93.03457	0.6
110.09199	0.3
117.03461	3.3
119.05032	100.0
120.05363	2.6
132.05791	1.1
139.46291	0.3
145.02956	19.7
146.03317	0.4
174.05664	0.4
188.07225	0.5
219.11302	0.4
248.17644	0.4
273.16074	0.7
290.18762	9.4
291.18945	0.9
316.16660	35.8
317.17166	2.5
436.22412	37.3
437.22726	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	436.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.1
70.96462	0.7
87.05341	0.4
93.03460	0.4
117.03453	2.8
119.05027	100.0
120.05344	2.7
132.05826	1.5
145.02960	21.0
176.10753	0.4
176.34543	0.4
188.07124	0.5
219.11356	0.8
248.17599	0.6
273.16113	0.8
290.18747	10.1
291.19092	1.0
316.16647	38.4
317.17014	1.8
330.15765	0.5
419.91614	0.4
436.22409	39.1
436.66718	0.4
437.22662	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	436.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61660	0.7
59.01370	3.5
59.69130	0.7
61.06747	0.7
61.72467	0.7
61.98827	2.2
69.14463	2.1
69.14873	2.4
78.95908	20.5
119.05104	0.8
122.00114	1.1
126.90539	3.5
138.58781	0.8
140.01176	4.8
143.86595	1.2
152.99561	1.8
171.00835	0.7
196.03806	11.4
214.04860	3.1
217.01181	0.9
239.20163	100.0
240.20564	6.3
305.79572	0.8
436.24689	25.1
437.25226	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	436.2703
Annotation	Nudicaulidine
Peak:m/z	Relative Intensity
61.98828	7.2
69.24664	10.7
69.25056	6.0
71.01381	5.4
80.91039	3.1
88.04045	74.1
115.00368	14.6
132.03027	32.3
320.26047	6.5
321.24319	9.4
367.72687	4.2
368.52841	4.0
392.28372	5.2
417.96429	5.2
436.26999	100.0
437.27271	9.4
452.54214	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	436.2832
Annotation	phosphoethanolamine (P-16:0)
Peak:m/z	Relative Intensity
69.41968	1.6
70.61521	0.3
75.74828	0.4
76.65009	0.3
78.95905	100.0
95.76460	0.3
96.74117	0.3
96.96973	1.1
99.63539	0.3
112.51946	0.4
118.06103	0.4
122.00146	0.7
134.98552	0.7
139.59183	0.4
140.01195	28.7
196.03802	0.8
216.88181	0.3
336.00616	0.4
375.23047	11.6
376.23465	1.2
436.28320	71.3
437.28656	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	436.2833
Annotation	Terpendole E
Peak:m/z	Relative Intensity
59.96967	0.8
78.95905	100.0
96.95992	1.9
96.96954	1.3
115.92081	3.7
116.92871	7.0
118.89996	8.0
119.19865	0.9
119.90800	2.7
122.00143	3.4
123.15932	1.0
134.89502	5.4
137.00171	1.7
140.01193	29.1
152.99585	5.1
155.00037	1.1
178.30644	1.0
187.04018	2.2
196.03824	24.4
202.06412	1.4
237.22350	1.6
239.23795	25.1
240.24150	1.0
242.39279	0.9
298.90762	1.0
330.40717	1.0
375.23044	2.0
436.28336	92.3
437.28616	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	437.1064
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90784	0.6
59.01377	2.8
61.98830	0.8
67.20277	0.4
71.01377	0.6
71.46049	0.6
71.49245	0.5
80.91685	7.8
133.02950	1.0
134.03737	63.1
135.04117	1.7
137.02448	2.4
139.03891	0.5
139.18262	0.6
149.00911	1.0
149.04871	1.0
149.06078	20.7
150.06444	1.0
161.02458	1.3
172.55183	0.5
178.02707	21.2
179.03442	2.0
193.05049	100.0
194.05424	3.4
209.69762	0.5
231.06012	0.5
355.10486	2.6
363.94949	0.6
437.10547	10.5
437.16074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06142	9.9
57.03430	15.0
59.01383	63.9
61.98830	100.0
63.45544	8.8
69.48746	16.0
69.49136	26.8
71.01387	25.7
72.99302	29.8
75.00891	22.9
78.16564	8.6
87.00887	22.2
98.22605	8.3
99.00880	10.0
101.02469	13.8
130.99844	33.6
135.02989	34.3
138.03232	19.7
142.99800	20.8
153.05582	27.4
161.02478	13.8
168.48720	9.4
179.03490	24.6
197.04536	19.9
211.07666	51.3
233.59993	9.2
263.05731	24.8
267.08978	9.5
269.10593	14.4
276.84564	11.5
277.07068	20.3
295.08099	47.1
313.29871	13.0
339.89432	9.5
399.08685	12.9
437.11646	59.9
451.19635	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75111	0.4
59.01115	0.6
59.01385	8.0
61.98821	1.9
71.01386	2.4
73.02959	0.6
76.30932	0.4
79.95735	13.8
80.96521	4.3
85.02945	0.9
89.02444	1.7
95.01437	0.4
98.18998	0.4
101.02457	2.4
113.02447	0.8
114.33053	0.4
119.03530	0.6
119.05033	9.1
120.05379	3.5
145.02965	1.4
146.03299	0.6
172.99136	3.7
188.01498	3.9
201.02359	1.0
257.08524	23.5
258.08905	1.2
275.09595	9.0
291.19040	0.6
316.16583	1.4
317.10699	2.2
317.16888	2.7
437.14859	100.0
438.15198	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	437.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16235	2.7
54.46136	2.7
59.01380	100.0
61.98829	14.6
69.13923	11.1
69.14326	9.5
71.01376	7.6
73.02944	4.2
85.02953	5.7
89.02448	4.7
97.54825	2.8
101.02458	6.0
113.02431	4.6
161.04561	4.6
246.95467	3.2
256.23566	3.1
315.18030	10.0
323.11386	3.3
447.44516	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38665	13.3
59.01378	29.9
67.18176	14.9
71.42397	19.5
74.10715	14.2
91.47070	15.2
98.88677	13.2
160.84232	21.9
173.84666	15.1
203.10973	26.6
215.01553	15.2
221.11830	34.5
437.15955	100.0
453.37463	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	437.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	29.5
61.98846	37.8
69.64339	19.1
69.64661	7.3
71.01368	13.6
80.05175	6.4
82.95428	24.0
87.00882	7.5
89.02442	7.8
96.96026	8.7
119.03441	9.0
156.69359	6.2
161.04579	7.3
185.02095	8.1
189.88388	7.1
198.32103	7.0
214.90755	6.4
271.86465	8.5
394.17462	6.6
401.17990	12.0
437.15869	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	437.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	16.1
61.98822	14.0
69.12370	57.2
98.22596	20.6
117.03561	7.7
119.05031	100.0
120.05353	38.5
145.02925	14.2
176.03513	8.5
253.46936	8.5
272.92645	8.6
291.19009	10.3
316.16672	16.6
317.16937	30.1
407.16122	18.8
437.17136	16.9
437.22610	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30973	1.7
59.01376	19.1
61.98826	8.6
64.04417	1.4
70.79591	2.1
79.60333	1.6
79.95702	1.8
85.39971	1.5
96.96023	2.8
109.73732	1.8
117.03457	2.1
119.05022	51.8
130.82443	1.5
134.03716	12.7
144.04507	1.7
149.06059	6.6
162.05602	100.0
163.05954	2.2
176.03508	15.3
177.04303	29.7
178.05034	5.0
192.06662	53.1
193.06802	1.6
244.09764	20.8
274.10852	16.5
275.10934	1.5
287.10263	2.2
317.11340	1.8
358.28232	1.8
437.16748	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	437.2081
Annotation	Obscurinervine
Peak:m/z	Relative Intensity
59.01371	1.1
59.95788	0.3
60.59538	0.3
60.90341	0.3
61.98811	0.5
62.01702	0.3
72.67872	0.3
87.13045	0.3
90.83871	0.3
93.03445	0.8
98.22650	0.9
117.03486	2.8
119.05027	100.0
120.05358	3.4
132.05841	0.7
145.02956	21.5
166.70174	0.4
173.12732	0.3
192.86320	0.4
196.67052	0.4
215.26906	0.3
220.09752	0.5
274.14496	0.7
291.17108	5.1
292.17502	0.3
317.15048	37.0
318.15326	2.0
341.18927	0.4
367.09863	0.5
437.20792	35.4
438.21140	3.2
445.46155	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.231
Annotation	Unknow
Peak:m/z	Relative Intensity
56.76339	28.3
58.02044	30.3
58.52826	31.5
59.01366	100.0
61.98830	91.2
70.43657	74.2
70.43996	34.7
72.25726	29.2
85.84016	35.5
93.69087	33.0
104.16885	32.6
125.87309	32.9
201.11328	52.8
212.21710	34.1
336.00500	33.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.7
61.98817	12.3
62.06221	6.6
69.60427	23.4
96.51974	5.5
96.95985	9.3
113.34325	5.9
122.63804	5.7
127.87037	17.7
159.85919	7.6
215.12701	9.1
283.41980	6.9
329.20779	16.0
337.17691	8.8
352.53226	5.8
353.23752	6.2
355.18915	100.0
399.10440	7.9
437.07422	19.8
438.06308	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	437.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28333	17.2
59.01389	22.2
61.98848	100.0
62.49480	18.5
69.51875	72.6
77.07243	18.4
85.00452	20.4
98.22645	34.8
151.97418	19.5
184.61507	19.9
235.01100	22.9
259.90558	25.5
349.19046	26.8
437.23291	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30587	28.9
59.01390	38.0
61.98832	100.0
70.86959	39.4
88.98802	37.9
96.96019	41.2
112.40656	28.0
152.99724	34.9
175.05551	32.3
211.62215	33.6
226.84914	32.4
237.81476	33.1
239.20441	31.2
437.23111	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98846	26.6
64.32100	12.7
66.11501	10.7
69.64761	11.4
70.16338	25.0
70.16684	22.8
98.21954	13.7
103.01491	86.3
125.87347	35.6
127.87014	58.9
128.87843	22.7
140.21248	11.4
149.11699	13.0
172.34949	14.0
209.11827	13.0
340.72424	14.5
355.18613	25.1
401.11676	23.1
437.08765	33.5
438.08578	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88087	0.7
51.23764	0.7
57.62565	0.7
59.01377	3.7
63.96236	1.5
69.63519	0.8
69.68733	2.6
69.69056	0.8
71.01382	23.7
71.88235	0.7
76.97026	1.1
78.95905	1.0
79.95727	1.2
80.34240	0.8
84.02166	1.4
98.21919	1.2
103.01485	4.0
125.87354	2.8
126.88098	1.1
127.87019	2.1
128.87848	0.8
150.69113	0.7
180.02367	0.7
181.17491	0.8
238.64041	0.7
239.20168	3.5
240.20486	7.7
242.98404	0.6
249.06227	0.8
266.79297	0.7
288.67184	0.8
301.21744	12.3
302.22052	1.1
311.23862	5.8
329.24881	1.2
373.23846	100.0
374.24188	10.4
437.08936	2.7
438.08694	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	437.2695
Annotation	Grevirobstol A
Peak:m/z	Relative Intensity
56.70186	0.5
59.98512	0.5
69.03471	0.5
69.75465	1.6
71.72353	0.5
78.95901	1.8
91.05530	24.0
92.05852	0.5
98.21872	0.6
117.03467	70.6
118.03801	1.9
134.03738	2.9
135.04532	3.7
142.99278	0.4
152.99568	1.6
155.00015	1.2
301.21747	4.1
312.06094	0.5
319.22760	100.0
320.23111	7.3
437.26968	23.8
438.27213	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	438.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.0
60.76668	0.4
61.98810	0.6
69.71749	0.7
69.72124	1.2
74.09403	0.3
83.01388	1.5
91.02547	0.4
93.03475	2.0
95.01220	0.4
95.05035	0.8
96.96013	4.9
97.02938	1.2
101.02465	0.4
109.02942	5.0
112.98825	0.5
116.26270	0.3
117.03448	0.6
121.02952	1.6
122.03721	1.3
123.00929	0.5
123.04536	6.6
124.01669	0.5
125.02453	3.3
133.02971	0.5
135.04530	1.6
137.02437	2.5
139.04027	0.7
144.04529	0.4
145.08719	0.6
146.03734	0.4
147.04520	0.9
148.03990	0.6
149.02431	2.2
150.03218	0.5
151.03986	3.5
159.04518	0.7
160.03990	0.5
161.02464	4.0
161.06085	0.8
162.03185	1.2
162.05589	0.9
163.00351	0.8
163.04048	1.0
164.01106	0.8
165.01941	2.2
172.05260	0.4
174.05579	0.5
175.04066	1.8
179.03502	1.6
187.03947	1.1
188.04796	0.8
189.05486	0.5
190.05101	0.9
192.06657	0.5
201.05666	0.7
202.06535	0.4
203.03505	1.6
203.07176	1.2
204.06740	0.6
205.05136	2.0
206.08211	1.5
208.09731	0.4
214.02687	0.6
214.08803	0.4
215.03522	0.9
215.07077	0.6
216.06635	0.7
216.09921	0.4
217.05061	0.6
227.06955	0.6
228.04492	0.5
229.01399	0.4
229.05128	2.2
229.07124	0.4
231.02979	0.7
231.08990	0.5
232.06082	1.8
241.05043	0.6
241.10815	0.5
242.02109	0.5
242.08266	0.8
243.03015	2.6
244.03770	0.8
245.04588	0.8
245.08098	1.4
246.07822	0.5
247.06094	1.3
257.04538	1.1
258.07703	1.6
259.08487	0.8
270.07748	0.6
271.02487	2.1
271.05713	0.4
272.05637	0.5
274.07187	5.2
276.08780	2.9
286.07239	11.9
287.08035	5.1
288.08643	1.3
289.07169	2.2
300.08676	1.2
314.06735	5.0
315.07489	1.9
316.08261	7.8
317.08691	0.6
318.04547	2.7
318.54852	1.4
328.08267	2.8
329.08551	0.5
333.05112	1.9
378.06540	1.3
394.07123	0.6
394.12802	0.5
402.09671	0.6
420.10983	1.2
438.11929	100.0
439.12228	9.8
441.39420	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88767	0.5
59.01375	0.7
61.21120	0.5
61.98829	1.0
71.38303	0.5
71.38666	0.5
73.68033	0.4
75.00878	1.5
83.58865	0.4
94.92506	0.6
96.96004	3.0
96.96992	0.5
97.93163	0.7
99.92586	35.6
100.92634	1.2
100.93369	3.2
101.16311	0.5
107.46523	0.5
115.92073	5.7
116.92885	4.3
117.01981	0.8
118.89978	70.0
119.89982	3.1
119.90770	1.6
127.87032	0.5
134.89488	5.7
135.90279	5.6
150.88965	0.8
177.10257	0.5
254.60316	0.6
358.16061	0.6
365.75317	0.5
383.09665	1.1
384.09894	0.6
402.15036	12.8
403.15384	1.4
438.12695	100.0
439.12936	9.6
439.18628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	1.1
59.91410	0.8
61.98824	1.9
71.41896	0.9
84.93846	0.9
94.92511	2.0
95.65259	0.9
96.96011	10.3
99.92586	38.5
100.92603	1.8
100.93362	3.6
114.02633	1.0
115.92065	7.8
116.92858	9.3
118.89980	82.7
118.97856	1.0
119.89989	2.1
119.90767	2.6
127.87013	1.2
134.89481	10.0
135.90268	4.7
161.57399	0.8
197.67715	0.9
201.91328	0.9
203.21501	1.0
247.93010	1.0
291.36670	0.9
316.56818	1.0
319.06262	1.2
384.14212	2.0
384.26828	1.1
402.15030	22.2
402.20276	1.1
403.15216	2.3
420.11725	2.4
438.12729	100.0
439.12915	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74323	2.4
58.32834	2.4
59.01387	20.4
61.98823	3.8
69.14285	16.5
71.01392	12.6
73.02940	13.8
83.01382	6.4
84.24239	2.7
85.02954	10.1
89.02441	5.3
97.06497	2.5
98.22628	4.5
101.02440	28.5
105.47235	2.6
113.02415	11.0
119.05065	13.9
120.05372	10.9
123.24586	2.8
161.04561	4.8
249.13409	51.8
250.13698	3.4
318.17078	6.7
380.94153	2.8
395.19180	100.0
396.19467	7.9
438.14273	6.1
438.22873	9.1
443.27780	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	438.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86031	5.9
57.49469	5.0
59.01379	22.6
61.92934	5.7
61.98817	5.5
62.80490	6.2
64.33427	6.0
70.65853	7.0
70.66194	10.4
71.01393	22.4
73.02944	6.5
83.01382	9.4
85.02960	12.0
98.22523	7.0
101.02422	30.1
113.02453	11.9
117.41483	6.0
118.50774	6.1
148.01312	5.6
161.04561	11.3
162.57309	6.6
249.13399	58.1
298.09857	6.4
395.19156	100.0
408.71497	6.1
432.04791	6.6
438.14624	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	438.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
61.80615	1.3
61.98836	2.0
63.40753	1.4
78.95913	16.4
96.95981	1.4
120.89699	1.5
128.63408	1.5
140.01190	3.9
196.03790	9.3
241.21735	100.0
242.22098	4.2
354.24802	1.5
438.26294	35.9
439.26642	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	438.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.8
61.98842	2.0
69.30314	1.0
69.30714	1.0
74.64011	0.4
78.95910	4.7
79.83384	0.4
103.01498	3.6
104.01834	0.6
122.89398	0.5
124.89165	0.5
125.22822	0.4
127.87032	5.0
128.87813	3.2
129.86696	0.5
140.01247	1.9
141.88603	0.6
152.99632	0.5
159.85992	0.7
196.03850	0.9
214.04797	2.5
217.00809	0.5
241.21733	100.0
242.22086	5.7
250.63087	0.4
260.99863	1.3
262.99661	0.7
264.00449	0.6
285.04169	0.4
298.97336	2.4
326.96689	0.6
400.11041	1.2
402.11060	1.1
438.08282	3.3
438.26236	12.1
439.26483	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00533	0.3
78.95914	4.7
95.22314	0.4
132.80489	0.4
140.01193	1.6
145.41449	0.3
150.80923	0.4
152.99559	0.3
160.84203	1.2
164.81148	0.3
196.03754	1.1
214.04861	1.9
227.20221	0.9
241.21725	100.0
242.22052	5.9
438.26230	13.1
439.26657	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42461	1.2
69.42847	0.7
78.95905	100.0
96.96951	1.4
134.54016	0.5
134.98502	0.5
140.01189	25.7
159.82893	0.5
196.03720	0.9
205.09009	0.5
377.24588	13.5
377.29459	0.7
378.25006	1.2
438.29892	74.2
439.30142	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	439.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02853	0.4
59.01380	2.5
70.03735	0.4
70.04070	0.9
71.01385	2.0
72.00909	0.4
72.99313	0.6
78.95902	41.7
85.02969	1.0
85.53304	0.3
87.00855	0.9
89.02450	1.7
96.96061	7.0
96.96960	100.0
101.02446	1.1
111.00885	2.1
112.98856	0.6
113.55220	0.4
115.00377	0.7
119.03491	0.9
133.01453	0.9
135.04596	0.4
161.04604	0.6
166.97591	0.7
168.99860	0.4
179.03554	0.5
179.05606	0.8
243.05687	0.4
259.02350	0.4
263.05817	0.8
341.11017	3.4
439.08575	4.5
439.13303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.3
59.01380	6.3
60.42809	0.2
71.01385	4.5
71.43246	0.4
72.99310	3.0
78.86443	0.2
78.95905	44.1
85.02950	0.8
87.00874	4.8
89.02444	5.4
92.89015	0.3
92.92805	4.5
94.92519	2.2
96.92216	0.9
96.95975	2.8
96.96962	100.0
101.02444	2.1
108.90211	3.1
110.89905	1.8
111.00859	1.5
112.89642	0.5
113.02457	1.6
113.03578	0.7
114.01955	0.4
115.00353	0.9
119.03525	1.5
131.03647	0.3
131.04631	1.2
133.00548	0.3
133.01445	1.5
142.97556	0.8
143.03561	0.4
151.00204	0.3
152.96008	0.5
154.99594	0.4
161.04536	0.7
166.97504	1.2
179.05614	1.8
189.80052	0.3
191.00475	0.3
194.99150	0.3
198.89670	1.9
210.96483	0.4
228.97552	1.3
229.93208	0.3
236.91954	0.3
266.93100	0.5
268.92413	0.3
285.12787	0.3
290.91064	0.4
296.87521	0.6
302.90836	2.5
328.88354	0.3
334.89789	1.2
340.86633	1.3
341.10867	9.7
342.10876	0.4
364.90878	0.8
376.90707	0.3
438.90741	0.7
439.08496	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	439.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	2.6
61.98810	1.1
64.20882	1.1
66.96475	0.9
68.61913	0.9
69.29472	6.2
72.12180	1.3
72.66662	1.2
78.95921	2.6
81.03130	0.9
89.02427	1.2
96.96018	7.5
96.96965	3.2
97.05730	1.2
118.96571	1.3
123.00894	1.6
150.03198	1.7
151.00360	1.1
153.01926	1.8
163.00377	11.1
168.14983	1.1
178.02733	24.1
181.01396	7.0
183.06609	8.1
193.05052	21.7
196.03775	4.9
208.80595	1.1
211.06134	33.1
212.06525	1.8
226.04805	5.3
241.07193	100.0
242.07523	3.9
269.19357	1.2
356.33261	1.3
380.07050	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98822	16.2
62.64074	4.3
69.09454	31.5
71.01376	42.4
71.10144	4.8
73.02959	7.4
75.32409	4.2
80.96520	9.0
85.02940	11.1
89.02443	61.9
96.96003	10.5
98.68837	5.0
101.02426	32.9
113.02477	12.2
119.03544	6.6
130.30219	4.8
131.03506	28.1
135.04491	5.0
149.04556	51.8
191.05641	8.5
283.55566	5.0
379.16031	66.3
439.17776	63.8
440.17908	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	439.184
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98835	3.9
63.29063	3.3
70.56807	5.2
70.77129	3.3
71.01382	50.7
73.02948	7.7
85.02956	6.6
87.00903	5.1
89.02448	60.7
97.93842	3.4
98.22626	3.9
101.02436	32.6
107.88626	4.4
113.02464	13.3
119.03492	6.9
131.03503	27.6
131.69260	3.7
141.25215	3.7
149.04558	52.8
160.84239	4.1
162.83922	9.1
179.05586	7.1
191.05659	15.6
231.54810	3.5
251.07521	3.4
259.98581	4.2
291.76477	4.1
379.16064	78.3
380.16409	5.0
402.54977	3.7
439.17078	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	439.1873
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
59.01377	10.8
60.78737	1.2
61.42847	1.5
67.01185	1.3
69.39468	2.6
69.39860	4.5
119.05025	100.0
120.05382	8.7
133.03029	1.4
134.03745	46.3
135.04550	15.2
145.02959	2.7
148.05345	2.4
149.06084	28.2
162.05611	4.2
174.05602	1.4
178.05168	3.6
192.06627	2.6
204.06670	4.4
244.78604	1.5
245.12949	3.4
275.13998	1.5
289.11993	20.1
290.12228	1.7
303.10013	2.9
318.15475	2.9
319.12878	23.5
320.13586	2.1
362.58386	1.5
439.18362	22.8
440.18915	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	439.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97472	0.5
59.01377	5.3
61.98829	2.2
69.42937	1.9
69.43355	1.1
80.91673	1.3
96.96004	0.9
99.72675	0.5
100.38345	0.6
102.67051	0.5
105.03464	1.0
107.05068	0.7
119.05006	1.1
133.02954	4.1
134.03745	100.0
135.04544	36.2
136.04854	1.2
145.02966	0.5
147.04546	1.0
148.05327	2.2
149.06082	67.4
150.06438	2.2
160.01648	2.9
161.02515	2.8
161.06085	1.6
162.03204	0.7
175.02696	1.2
175.04018	3.5
176.03502	1.3
181.16058	0.6
190.05086	2.4
199.69785	0.5
204.06638	4.9
229.09761	0.7
230.08199	1.5
231.08995	2.2
247.10863	9.1
248.11646	3.6
263.14050	1.8
273.08832	6.4
274.09586	25.7
275.10156	2.5
289.11938	63.2
290.12408	2.9
327.12271	0.7
423.15625	1.5
424.16092	1.2
439.18719	44.7
440.18994	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1872
Annotation	(E,E)-Terrestribisamide
Peak:m/z	Relative Intensity
59.01381	18.1
61.98832	6.2
70.11536	1.8
71.01369	1.5
83.53022	0.7
83.67903	0.7
85.02954	0.7
88.04071	0.9
101.02448	1.0
109.38813	0.8
117.20623	0.7
131.83925	0.9
133.02994	4.7
134.03751	100.0
135.04550	34.9
136.04825	1.0
147.04529	1.1
148.05290	2.0
149.06087	65.2
150.06389	2.6
160.01643	2.7
161.02509	1.5
161.06104	1.3
162.03239	1.2
175.02699	1.0
175.03986	4.2
176.03598	0.9
190.05139	2.3
204.06621	4.3
219.11400	0.9
230.08211	1.9
231.09113	1.9
246.11404	1.0
247.10876	10.9
248.11554	4.4
261.12671	0.8
263.13931	1.4
271.43494	0.8
273.08835	6.6
274.09610	21.0
275.10196	3.2
289.11951	58.8
290.12326	2.6
423.15625	1.9
424.16483	1.0
439.18741	37.8
440.19199	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29380	30.3
53.35712	29.6
53.67892	30.7
57.19496	31.2
59.01374	96.4
61.98818	100.0
65.69624	30.7
70.97578	50.4
77.34334	34.2
88.98794	98.6
89.59478	33.3
95.83646	39.4
96.96027	45.1
136.69644	37.8
170.74431	37.9
192.95886	53.2
246.33394	31.3
265.71051	45.2
275.12759	33.2
317.40573	37.5
439.24332	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59661	5.7
51.24771	5.8
56.39165	5.4
56.45469	6.3
59.01380	84.7
61.98823	24.9
69.34219	14.2
69.34621	20.9
71.01395	7.0
87.00837	6.5
94.27206	5.7
98.22655	10.7
101.02403	6.2
134.03760	100.0
135.04414	38.6
136.03989	6.8
136.04918	12.2
142.25945	6.3
149.06107	73.3
150.06409	35.7
178.06332	8.2
193.08755	12.7
247.10960	10.7
274.09464	17.1
275.09915	21.3
289.11975	37.2
290.12244	56.0
309.36475	5.9
405.21240	6.6
440.18881	47.7
440.24051	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	440.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29821	0.6
57.37531	0.6
59.01380	47.1
61.98830	100.0
71.01389	3.0
73.02940	6.0
76.62532	0.7
83.01393	1.1
85.02930	1.0
89.02448	0.8
99.00961	0.7
99.11528	0.7
101.02439	4.8
112.80523	0.6
113.02441	3.0
127.87044	0.9
131.03659	0.7
134.40887	0.6
143.99181	2.5
148.90903	0.7
150.90730	0.8
221.86276	0.7
237.07130	0.7
271.32080	0.7
291.18265	2.6
333.19678	1.1
426.20627	0.7
440.02716	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05456	0.9
59.01123	1.4
59.01380	18.2
69.96828	1.7
80.22260	0.8
84.01933	0.8
96.95989	1.2
100.84455	0.8
101.02399	1.7
107.03606	2.1
133.03928	12.6
134.04730	51.2
146.04759	1.0
160.53252	0.9
184.63600	0.8
188.09418	7.6
197.04520	1.4
200.09407	13.2
206.60565	0.9
218.10468	100.0
219.10910	4.1
239.05724	0.9
243.46620	1.0
250.90999	0.8
260.82230	0.8
272.35284	0.8
296.09985	5.8
319.13141	1.1
359.09818	8.7
380.15765	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	440.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47355	0.7
61.98829	100.0
69.75646	1.8
71.01361	0.9
77.03143	0.8
98.21918	1.7
99.92585	4.5
116.92863	1.3
118.89951	4.5
135.90285	2.6
226.64731	0.9
276.92722	0.9
357.10995	0.9
365.67352	1.1
374.24106	3.4
404.16620	1.4
440.13785	7.0
441.14447	1.6
446.97031	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81355	0.3
60.20352	0.3
61.98831	100.0
70.10625	0.6
70.10947	0.3
73.30480	0.3
96.96079	0.4
104.36375	0.4
120.89713	0.6
127.74450	0.3
134.35388	0.3
165.71190	0.3
300.76001	0.3
367.11560	0.4
374.30435	0.3
440.12277	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.78132	2.5
77.92619	0.8
92.46405	0.8
127.14648	0.8
162.83885	1.7
229.63913	1.0
337.96005	0.9
440.01718	1.0
440.13742	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.3
60.97531	35.1
61.98818	4.7
69.36642	6.6
69.37045	3.3
98.22539	3.1
98.59085	2.0
150.55220	1.8
192.39507	1.9
240.48940	2.1
259.20663	6.5
301.21756	34.5
301.30014	1.8
303.19666	100.0
304.19946	8.1
365.17828	12.5
397.20395	5.2
440.23782	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	62.9
59.46667	19.4
61.98833	100.0
69.57898	70.7
72.51684	17.9
96.04662	16.4
98.21922	35.7
145.42320	21.4
237.14943	87.3
297.07397	21.0
303.84137	20.9
311.18744	28.1
374.88220	22.4
407.62152	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	440.229
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	19.3
61.98831	100.0
69.96415	7.9
71.01380	6.6
85.02972	4.3
93.14436	2.9
98.21960	3.7
98.96317	2.9
99.92619	6.8
107.12878	2.7
113.02468	3.1
115.92022	4.1
116.92869	13.9
121.20334	2.6
127.87029	5.2
133.06609	22.8
143.99167	26.5
148.91013	5.5
150.90717	4.0
167.09439	2.3
213.73837	2.7
214.15038	2.8
243.17545	4.2
269.15582	3.3
287.16537	47.8
288.16733	4.5
305.17697	3.3
361.20288	7.0
398.14236	16.9
440.03146	15.7
441.12335	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46936	1.4
59.01371	2.7
65.00335	1.5
68.99805	4.0
71.24426	2.0
72.99305	13.9
73.55069	1.4
77.62401	1.4
84.30778	1.3
84.99281	1.7
87.00862	12.4
90.07015	1.4
93.03445	1.8
107.05077	1.6
111.00860	3.3
112.98804	12.0
117.03453	8.0
119.05023	77.0
120.05309	2.9
121.02945	3.5
127.00354	2.3
129.03453	2.9
130.99835	2.9
131.05013	3.9
133.02934	3.3
143.05006	5.0
145.02953	48.4
147.04514	33.1
154.99858	2.0
161.06104	8.6
163.04004	37.0
171.04463	1.8
175.04012	25.2
183.50900	1.5
189.05542	7.7
203.03490	94.1
204.03859	3.6
205.05074	3.0
215.03516	13.8
230.35075	1.6
233.04536	6.8
259.02438	5.0
277.03528	100.0
278.03790	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	441.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13523	2.3
59.01361	6.0
64.54118	2.4
68.99814	2.8
69.25095	12.6
72.99310	13.8
87.00865	9.7
89.89606	2.5
101.10732	2.3
111.00893	4.3
112.98795	8.1
117.03460	7.5
119.05022	83.0
121.02935	8.2
130.99867	3.5
131.05078	3.7
133.05386	3.3
143.05035	5.4
145.02953	45.2
147.04512	27.4
152.99535	4.2
161.06068	8.7
163.04008	43.8
175.03957	28.1
189.05508	4.1
203.01532	5.1
203.03481	100.0
204.03818	2.8
215.03496	15.7
233.04494	9.7
246.60898	2.8
259.02408	9.1
259.61688	2.7
260.08255	2.6
277.03497	86.1
278.03781	4.5
360.82230	2.8
406.95355	2.8
441.20056	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	441.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53928	1.2
58.25987	1.1
59.01368	2.7
60.87495	1.0
64.14693	1.1
65.00314	1.5
66.67858	1.2
68.99806	4.4
69.59138	3.5
72.99306	12.8
75.62169	1.2
87.00868	11.7
93.03426	1.9
98.22670	1.7
101.65133	1.0
102.06665	1.1
102.74860	1.1
111.00894	4.1
112.98825	12.5
117.03471	11.9
119.05030	86.7
120.05388	2.3
121.02947	5.4
123.04546	2.5
127.00434	2.4
127.23615	1.0
129.03491	3.0
129.17310	1.1
130.99843	3.1
131.05029	2.2
133.02972	2.8
133.06587	1.3
143.05032	4.1
145.02959	50.4
146.03264	1.5
147.04526	36.1
148.04889	1.5
154.99861	2.1
159.04478	1.7
161.06126	10.4
163.04015	33.7
168.74150	1.2
171.04483	3.1
174.03413	1.1
175.04013	26.6
176.04283	1.5
189.05632	4.5
203.03503	97.3
204.03838	4.7
204.25685	1.1
205.05095	2.5
215.03506	15.3
233.04498	6.9
241.97481	1.0
249.06506	1.1
259.02490	6.7
277.03534	100.0
278.03891	4.3
357.68298	1.2
410.92944	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	7.8
60.44529	1.0
61.98836	2.4
65.00322	1.6
68.99820	3.5
69.64775	2.7
72.99312	9.5
79.56979	0.9
84.99304	1.5
87.00876	13.1
99.01830	0.9
103.00354	2.3
104.80356	0.9
105.01994	1.1
111.00877	2.3
112.51230	1.0
112.98815	11.0
117.03455	8.3
119.05030	100.0
120.05351	3.3
121.02949	3.8
127.00394	1.4
129.03481	2.2
130.99873	3.0
131.04999	2.2
133.02911	1.1
133.06596	1.8
135.04544	1.8
139.11304	1.9
143.05042	4.5
145.02956	36.6
146.03291	2.0
147.04526	25.3
149.00931	8.1
161.06068	6.8
163.04013	89.1
164.04341	1.7
171.04492	2.3
175.04010	21.4
189.05528	2.9
203.03506	66.2
204.03825	3.1
205.05083	2.6
215.03523	10.3
215.12842	1.0
233.04668	4.7
259.02591	4.7
277.03537	60.1
278.03915	3.4
295.04584	19.6
309.09796	1.2
350.88046	1.0
453.36734	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02037	2.0
59.01380	12.3
61.98820	9.1
65.00360	3.3
68.99814	3.3
69.03453	5.9
69.34148	12.3
72.99315	13.5
87.00874	18.9
88.04043	3.9
88.04600	2.3
88.15246	2.4
103.00379	3.8
103.87313	2.6
111.00877	3.5
112.98804	13.1
117.03458	10.9
119.05032	100.0
120.05312	2.9
120.48190	2.8
121.02936	6.2
127.00452	3.9
130.99847	4.6
131.05055	2.9
133.02956	3.4
135.04543	4.8
143.05025	7.7
145.02951	45.0
147.04529	32.5
149.00903	20.9
149.02455	4.3
150.03242	4.9
161.06058	7.1
163.04010	78.1
175.04007	23.2
177.05595	3.4
179.03497	4.9
185.00978	3.9
189.05513	6.0
203.03500	88.1
204.03819	3.3
205.05042	2.9
215.03542	18.1
233.04431	6.1
243.16075	2.7
259.02515	7.3
277.03528	72.4
278.04071	5.7
295.04626	16.1
441.11819	3.1
441.23453	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	441.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79186	1.2
59.01380	40.9
61.98824	2.2
64.79520	1.2
69.31248	5.0
71.01382	16.5
80.91682	8.9
85.02958	4.1
89.02437	16.0
95.01402	1.9
101.02456	9.1
109.02970	1.8
110.72008	1.5
113.02456	5.3
119.03510	4.7
121.02975	4.0
134.04736	3.0
137.02449	3.6
138.03224	3.1
139.03996	1.5
153.05565	5.8
162.83966	1.2
165.01955	1.9
166.99802	1.5
181.01418	3.5
182.02274	6.2
196.03798	2.1
197.04570	22.3
211.06158	4.0
218.10507	5.5
219.10684	3.3
224.03273	1.9
239.05600	14.9
269.06436	1.3
299.07724	1.7
322.96609	1.3
359.09827	100.0
360.10089	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	441.1763
Annotation	Lusitanicoside
Peak:m/z	Relative Intensity
55.01875	2.2
57.03453	2.7
58.00595	2.0
59.01379	100.0
60.01722	0.6
62.29060	0.5
67.76692	0.4
69.03458	7.3
71.01382	64.0
72.01710	0.8
72.99309	3.2
73.02946	30.8
75.27295	0.5
81.03448	3.8
83.01382	7.9
83.05016	0.8
85.02953	27.1
86.00050	0.6
87.00883	3.5
87.04506	0.7
89.02445	26.0
90.02754	0.5
95.01385	2.2
96.96000	0.5
97.02346	0.8
97.02949	11.0
99.00900	3.9
99.04513	0.8
101.02443	45.7
102.02768	1.0
103.04013	25.3
109.02920	1.1
113.02457	6.8
115.04028	2.4
115.05535	2.8
119.03510	12.6
125.02448	34.3
127.04005	3.7
131.03445	1.7
131.05023	8.5
133.05682	0.7
133.06596	10.3
134.06845	0.6
143.03497	6.2
145.05052	3.4
148.02345	0.5
159.02975	0.8
160.84143	0.9
161.04561	4.5
163.06122	12.4
187.06033	0.6
187.64600	0.5
205.07039	1.7
229.07005	1.5
247.08231	10.0
307.10379	4.1
441.16016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.2
57.03453	2.7
58.00595	2.0
59.01379	100.0
60.01722	0.6
62.29060	0.5
67.76692	0.4
69.03458	7.3
71.01382	64.0
72.01710	0.8
72.99309	3.2
73.02946	30.8
75.27295	0.5
81.03448	3.8
83.01382	7.9
83.05016	0.8
85.02953	27.1
86.00050	0.6
87.00883	3.5
87.04506	0.7
89.02445	26.0
90.02754	0.5
95.01385	2.2
96.96000	0.5
97.02346	0.8
97.02949	11.0
99.00900	3.9
99.04513	0.8
101.02443	45.7
102.02768	1.0
103.04013	25.3
109.02920	1.1
113.02457	6.8
115.04028	2.4
115.05535	2.8
119.03510	12.6
125.02448	34.3
127.04005	3.7
131.03445	1.7
131.05023	8.5
133.05682	0.7
133.06596	10.3
134.06845	0.6
143.03497	6.2
145.05052	3.4
148.02345	0.5
159.02975	0.8
160.84143	0.9
161.04561	4.5
163.06122	12.4
187.06033	0.6
187.64600	0.5
205.07039	1.7
229.07005	1.5
247.08231	10.0
307.10379	4.1
441.16016	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	37.2
61.98828	55.6
69.57384	29.5
85.02949	11.5
87.00883	22.7
89.02406	15.3
93.83453	10.9
96.95992	18.6
125.87286	11.2
140.43037	11.5
155.01656	11.5
217.00168	15.8
441.18518	100.0
460.51816	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	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.8
55.89233	1.0
57.03444	3.0
59.01379	69.1
69.54541	5.0
71.01009	1.9
71.01382	25.6
73.02951	18.1
83.01382	11.8
85.02950	18.5
87.00854	2.0
89.02458	3.6
95.01383	2.0
97.02956	1.3
98.21894	2.3
99.00882	6.6
101.01787	2.5
101.02441	43.8
103.04001	1.4
111.00903	1.0
113.02450	13.9
125.02453	2.3
135.25490	1.0
143.03455	1.9
145.05101	1.3
159.02971	4.3
161.04562	14.4
164.43161	1.1
235.11861	74.2
236.12273	2.7
381.17661	100.0
382.18042	6.8
466.94946	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	441.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	2.2
59.01376	45.0
71.01378	27.4
71.39881	1.3
71.40276	1.7
72.99303	5.6
73.02949	9.5
83.01392	3.9
85.02950	11.4
87.00866	2.8
89.02442	10.9
95.01385	1.5
96.17712	1.2
99.00879	3.5
101.02444	27.9
111.00897	2.9
112.98844	1.7
113.02463	10.6
117.55592	1.3
119.05055	14.2
125.02396	1.2
131.03517	7.0
143.03523	2.2
145.02948	6.9
147.04517	5.1
149.04573	3.1
157.00278	1.3
159.02998	2.4
161.04547	6.2
161.05988	2.1
163.04012	8.2
175.03940	3.8
182.17746	1.3
203.03542	15.8
210.11322	1.2
215.03363	1.8
217.00391	2.3
233.04480	1.8
233.06636	2.2
239.07388	1.3
249.13426	29.7
254.38921	1.6
277.03528	14.8
368.27405	1.5
381.17661	100.0
382.17978	7.3
383.19269	1.8
407.22324	1.3
441.19699	4.0
462.80096	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49152	1.8
55.01884	3.4
59.01382	61.1
61.98836	2.5
70.39578	4.0
71.01389	29.3
71.11966	1.7
72.61843	1.9
73.02940	17.8
81.03408	1.9
83.01390	9.5
85.02531	2.0
85.02941	12.4
89.02428	3.8
93.51125	1.8
95.01403	2.8
98.01488	1.8
99.00883	5.6
101.02451	40.0
104.36756	1.8
113.02442	13.7
119.05064	2.1
137.31578	1.9
159.02991	4.0
161.04567	13.8
162.83974	4.7
164.83646	3.3
174.82425	1.9
176.01224	1.8
203.03499	2.2
235.11874	64.9
236.12193	3.0
353.28497	2.2
381.17685	100.0
382.18045	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	441.203
Annotation	Grandilodine A
Peak:m/z	Relative Intensity
55.36108	0.8
56.58124	0.7
67.20232	0.8
70.97133	1.4
97.27659	0.7
101.06080	1.9
235.56482	0.7
254.15532	7.2
255.15604	1.1
278.12036	1.9
294.14957	3.3
317.45132	0.8
333.17203	1.1
348.19592	2.2
384.13138	1.8
410.43945	0.8
441.20288	100.0
442.20569	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	441.213
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
56.43541	0.3
59.01379	16.6
59.09806	0.3
61.98822	0.8
62.61779	0.4
67.00305	0.4
69.80736	1.4
70.02967	0.5
71.01374	6.4
71.04191	0.4
71.05023	0.5
83.01392	0.4
85.02956	1.2
89.02441	6.6
101.02457	3.2
109.38654	0.4
111.81433	0.3
113.02451	3.2
119.03490	1.5
131.03569	0.6
146.08214	2.1
161.04524	0.8
175.45053	0.4
179.05643	2.3
189.16483	0.6
190.96130	0.4
196.72290	0.4
217.11935	0.8
217.16011	0.5
235.17017	9.0
236.17424	0.5
247.20752	0.4
261.14935	19.3
262.15289	1.0
277.12161	1.5
279.15994	100.0
280.16321	6.7
293.17572	1.7
305.00494	0.4
321.17038	5.2
326.23196	0.4
441.21198	10.8
442.21271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44598	0.7
59.01381	100.0
61.98836	2.9
63.86088	0.7
69.21145	3.7
71.01388	5.6
73.02965	2.3
82.35320	0.6
83.01406	0.7
85.02971	2.3
89.02465	2.0
101.02467	2.8
113.02444	2.0
117.26217	0.7
152.65224	0.8
161.04506	1.2
217.00186	1.0
399.24222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
59.01379	100.0
59.15020	0.3
60.01714	0.9
61.98833	1.0
69.52845	1.4
71.01379	4.5
72.99330	0.3
73.02949	1.7
81.00710	0.3
85.02966	0.9
89.02450	3.3
95.01391	0.5
98.22733	0.3
98.94801	0.3
101.02450	2.8
105.24454	0.3
113.02460	3.0
119.03535	1.3
161.04581	0.7
175.51974	0.3
179.05525	0.4
381.22940	0.4
399.23944	1.7
442.09686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08501	0.6
54.85376	0.7
59.01380	100.0
60.01738	0.7
61.98507	0.8
61.98833	14.1
69.62653	2.4
69.63030	1.2
71.01378	10.5
73.02947	20.7
74.78642	0.6
83.01385	4.0
85.02977	2.7
89.02448	5.1
101.02446	15.9
102.05615	1.5
113.02460	7.6
116.92881	0.7
119.03512	1.2
131.03491	1.6
143.03535	1.6
161.04568	1.5
185.02747	0.6
222.62178	0.6
289.06839	0.6
441.21451	0.8
442.31680	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	442.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19713	6.3
59.01374	16.7
61.98828	100.0
69.04082	6.0
69.33412	33.7
111.46494	5.7
116.80473	7.3
123.06654	5.9
125.87350	6.9
136.02441	6.6
224.63686	6.0
251.82310	6.4
287.26068	6.3
311.64252	6.3
315.59839	6.4
332.97711	5.7
442.07458	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	442.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.7
61.98830	49.7
69.30439	19.3
69.30830	30.9
92.92781	23.6
99.92590	22.2
117.28124	12.0
135.90256	24.4
148.80818	13.7
209.11966	14.9
230.57138	14.0
237.14922	100.0
289.17993	32.7
311.18640	31.6
325.20294	19.5
388.41153	13.4
405.92484	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.7
61.98825	3.6
67.30988	0.7
69.56664	2.8
85.19504	0.6
86.04159	0.5
87.77779	0.6
93.03457	0.7
99.92571	1.0
107.08668	5.7
108.32401	0.6
115.92114	0.8
121.02965	24.4
122.03764	11.7
123.04597	0.9
139.11292	4.7
151.05148	1.1
151.06398	36.0
152.07178	43.2
153.07401	0.9
183.10329	0.9
199.13406	5.4
223.13338	0.8
258.14844	0.7
273.18677	0.7
289.18018	0.9
291.19678	100.0
292.20026	5.1
323.82632	0.6
332.53751	0.7
349.19684	0.6
442.25876	5.1
443.18021	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18390	0.9
59.01379	4.9
61.98847	5.2
65.36431	0.9
68.85110	0.8
69.13278	4.3
69.13679	2.2
72.56197	0.9
99.92588	1.5
102.05618	1.2
107.10881	1.0
115.93304	0.8
121.02950	7.1
122.03764	15.7
123.04529	1.3
128.03540	4.2
134.89491	1.1
135.22980	1.0
151.06383	6.2
152.07179	100.0
153.07518	2.8
171.22229	1.0
289.18008	9.0
291.19589	1.9
313.23828	4.1
361.32944	1.0
442.28333	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	442.26
Annotation	(+)-N-Deoxymilitarinone A
Peak:m/z	Relative Intensity
54.79906	0.3
59.01380	5.5
61.98824	2.4
74.80239	0.2
85.02940	0.3
99.92570	0.3
118.90000	0.3
121.02962	7.5
122.03752	15.8
123.04563	1.4
124.01650	0.5
126.18223	0.3
137.02466	0.7
151.06401	7.3
152.07178	100.0
153.07529	2.6
154.02731	1.0
198.35318	0.3
245.19141	0.9
289.18103	6.9
290.18298	0.5
291.19644	2.1
311.22260	0.5
442.25894	1.8
443.77853	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01726	0.8
61.98833	3.6
69.03468	1.7
69.41116	2.5
71.01385	23.2
72.24030	0.7
72.99321	0.7
73.02947	61.0
81.03485	1.0
83.01382	8.8
85.02954	5.3
87.00887	0.9
89.02457	6.8
89.49641	0.6
95.01386	1.5
97.02960	2.0
98.22673	0.8
98.79055	0.6
99.00862	0.7
101.02449	25.3
103.14688	0.6
113.02454	11.8
116.97266	1.5
119.03510	1.6
124.01698	0.8
125.02486	1.8
128.03603	0.6
131.03528	2.5
133.05219	0.6
141.01860	1.1
143.03528	2.2
147.08176	2.0
149.04642	1.5
155.03535	1.3
161.04567	3.9
163.11299	5.5
189.09230	1.0
203.05646	0.8
221.11931	2.9
239.13261	0.7
286.56436	0.6
351.14319	0.6
357.64404	0.7
369.15573	6.6
411.16660	17.2
412.17148	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07303	0.5
55.01870	1.7
57.03441	1.6
59.01381	48.7
61.98818	0.6
69.75260	1.3
71.01380	28.2
72.01711	0.5
72.99289	0.9
73.02950	5.2
77.74128	0.5
78.93130	0.6
83.01377	3.4
85.02953	9.0
85.75240	0.5
86.88952	0.5
87.00875	1.1
89.02445	17.6
90.95688	0.5
91.60030	0.5
95.01398	1.5
95.87814	0.5
99.00874	1.3
101.02442	17.8
106.58858	0.5
111.04486	0.8
113.02457	9.3
119.03505	5.0
134.03712	1.0
135.04530	1.7
161.04575	1.6
171.11736	0.7
180.42805	0.6
189.12845	2.4
193.05069	1.0
205.77731	0.6
237.15001	1.0
443.19214	100.0
444.19592	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	443.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
57.03437	1.6
58.00591	0.7
59.01380	46.3
60.01727	0.7
61.98831	0.6
69.03411	0.5
71.01381	23.6
72.66373	0.5
72.99312	0.8
73.02938	5.8
83.01399	3.6
85.02957	9.8
87.00883	1.6
89.02443	16.6
95.01385	2.5
96.96030	0.9
99.00893	1.5
101.02443	19.6
111.00896	0.6
111.04540	1.1
113.02455	8.8
119.03521	6.3
123.08222	0.8
134.03787	0.7
135.04518	4.0
143.03522	0.8
148.84898	0.7
161.04536	1.3
163.25137	0.5
164.21101	0.6
171.11784	0.8
179.05702	0.5
189.12849	1.6
193.05070	1.8
204.87521	0.5
219.13930	1.1
235.41745	0.5
237.15028	1.3
255.14113	0.5
281.13940	0.6
303.59177	0.5
330.40579	0.6
443.19214	100.0
444.19574	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	443.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97394	0.3
59.01377	14.8
61.79558	0.3
61.98829	100.0
70.84403	0.6
88.77994	0.3
90.73775	0.3
91.04013	1.0
102.01180	0.3
116.21648	0.4
291.19540	0.5
309.20782	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	443.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24299	0.4
61.98828	100.0
62.90518	0.3
69.53258	1.3
71.92380	0.3
85.96274	0.3
87.60889	0.3
98.21933	0.8
100.23811	0.4
127.87046	0.8
183.36774	0.3
184.65491	0.3
185.02238	0.5
189.81613	0.3
231.21245	0.4
275.20129	5.5
276.20569	0.5
319.00647	0.3
399.07248	0.4
403.40198	0.4
443.06784	1.1
443.21936	0.6
469.61307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20329	0.5
53.26038	0.4
57.42994	0.5
59.01379	100.0
59.53936	0.5
61.98830	2.5
69.51870	1.1
69.52251	1.7
76.15589	0.5
91.04020	2.2
96.96015	2.4
97.02966	1.4
98.21830	0.9
99.92574	0.9
116.92899	0.8
118.89949	0.5
128.85910	0.6
137.09709	1.4
144.39742	0.5
150.49071	0.5
160.10556	0.5
163.75363	0.5
171.10318	2.0
183.34009	0.5
201.11409	0.7
225.15060	0.8
273.18497	0.5
291.19595	3.5
309.20709	18.2
310.21091	1.1
360.97806	0.6
454.92624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14970	2.2
59.01381	100.0
61.98838	19.8
70.07539	2.9
91.04002	5.5
133.18246	3.5
133.31583	2.5
134.95589	2.8
154.42007	2.7
225.14912	3.2
291.19720	3.5
309.20706	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	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01740	0.8
61.98825	3.0
64.54476	0.6
67.52196	0.6
69.42635	0.8
69.84174	1.2
69.84503	1.2
91.45848	0.6
91.99809	0.6
92.92831	1.0
96.96038	1.1
131.08482	0.6
134.96176	0.6
212.29271	0.7
259.28357	0.7
291.19696	4.3
309.20767	4.2
320.05267	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98361	1.7
59.01379	100.0
61.98826	15.9
69.62889	4.5
91.04025	7.4
162.83963	5.0
164.83635	4.2
220.32816	1.7
286.00854	1.9
291.19675	7.4
296.91412	2.0
309.20712	25.5
380.10394	2.1
438.32037	1.9
443.00192	4.4
443.99316	3.3
447.32776	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.265
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19707	0.7
58.36663	0.8
59.01379	100.0
60.26661	0.7
61.98814	3.5
67.00938	0.7
69.37832	1.1
69.38223	2.0
78.95922	2.2
96.96010	2.1
98.21934	1.2
110.73237	0.8
121.14377	0.7
134.03740	0.9
135.04543	3.1
152.99574	3.7
155.10806	0.9
171.10298	2.2
200.28015	0.7
245.02605	0.8
252.99971	0.7
291.19699	4.6
309.20694	10.0
363.22263	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95303	0.7
55.75913	0.7
59.01380	100.0
61.35347	0.7
61.98829	2.5
64.43731	0.8
69.34486	4.0
92.92763	0.9
96.96014	0.7
103.72854	0.7
107.90813	0.7
110.83972	0.8
131.08310	2.0
200.21648	0.7
202.98738	0.7
209.11923	0.9
241.08400	0.9
291.19662	3.8
294.07443	0.7
306.71115	0.8
309.20837	6.4
360.97949	0.8
443.25745	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.01718	0.7
61.98836	0.6
75.00890	0.4
87.15477	0.3
92.92818	1.3
96.96042	0.8
99.92607	0.5
132.65584	0.3
137.66096	0.3
159.87668	0.3
165.97948	0.3
186.81540	0.3
239.41429	0.3
291.16882	0.3
291.19540	1.6
309.20728	3.5
310.21283	0.4
421.03366	0.3
436.81598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3165
Annotation	Phorbasterone B
Peak:m/z	Relative Intensity
50.36962	2.2
57.15395	2.3
57.35273	1.8
59.01365	2.1
62.91188	2.0
69.03448	6.5
69.34732	5.8
98.21855	4.2
109.06591	23.2
156.21056	2.1
279.23428	2.8
311.27719	2.1
327.26981	2.7
335.33264	2.8
341.28418	14.2
343.30008	21.3
344.30646	2.6
355.29895	5.1
361.23633	4.2
365.28351	6.4
371.29272	4.3
371.33344	4.3
383.29553	42.2
384.29858	2.9
397.31165	3.4
399.32645	100.0
400.33347	10.0
443.31650	59.7
444.31985	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	443.3377
Annotation	oscr#34
Peak:m/z	Relative Intensity
52.19172	1.1
53.22907	1.0
54.12066	0.9
59.01389	5.5
61.98813	5.2
62.89687	1.1
64.44625	1.1
70.51218	1.3
70.51585	1.0
74.93484	1.0
89.02412	1.2
91.04002	1.5
96.29906	1.1
99.49011	1.2
99.92575	1.7
103.01512	3.0
118.96947	1.8
121.07437	1.1
130.02873	1.4
141.86781	2.2
141.93694	1.0
145.46452	1.0
153.86598	1.0
158.89345	1.7
180.90410	1.1
188.36729	1.2
301.21667	2.8
307.30057	100.0
308.30420	7.5
325.31143	2.7
330.26407	1.1
351.29010	44.2
352.29523	3.6
361.17270	4.8
369.30075	92.7
370.30408	7.2
443.33771	76.0
444.09866	1.9
444.16132	3.6
444.34128	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	444.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	13.2
61.98820	28.3
64.65350	4.5
71.66302	4.7
74.21632	4.4
77.16983	4.8
79.23000	5.2
96.96005	45.5
97.49518	4.9
98.46663	5.0
99.92584	76.3
100.93363	7.9
115.92083	20.6
116.92867	25.8
118.89988	100.0
119.89961	5.7
119.90763	9.7
121.02972	16.5
134.89487	54.8
135.90254	21.7
136.07582	5.9
151.06393	22.4
152.07176	59.3
153.07544	7.1
160.85930	4.3
163.59117	5.3
230.02213	4.5
239.31984	5.6
321.04379	31.2
372.09995	30.5
390.11536	25.8
404.09366	7.0
408.07736	6.8
408.12521	25.8
444.10132	7.3
444.27573	7.6
448.23663	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	444.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	67.4
71.01378	38.8
71.45007	2.6
73.02944	9.0
83.01407	5.9
85.02942	10.8
87.00908	5.8
89.02441	27.7
91.90612	2.0
93.03471	2.5
93.70756	1.9
97.02981	2.7
98.64944	1.7
99.00921	3.1
101.02445	26.9
111.00857	3.1
112.98825	3.9
113.02439	14.9
119.03497	3.8
119.05042	3.2
120.05357	5.2
125.02478	2.2
131.03510	14.5
135.04536	5.3
143.03529	3.5
145.02980	3.6
149.04575	4.6
151.04034	13.8
160.04077	10.4
161.02446	3.0
161.04544	12.1
163.03951	3.7
179.03535	2.1
179.05592	7.5
204.03751	3.1
205.04027	3.3
233.06686	3.0
254.08115	2.5
269.10321	18.2
278.03900	4.4
279.04050	4.5
280.04303	5.3
293.08868	3.2
401.14523	100.0
402.14868	6.7
416.93295	1.9
444.24890	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37159	1.8
59.01377	8.9
61.98830	100.0
63.87542	1.7
71.01385	2.1
87.28851	1.7
133.14780	1.9
160.79086	2.0
337.89282	2.1
440.47205	1.8
449.24341	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	444.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98831	28.7
67.14073	3.2
69.70224	11.7
71.01382	14.9
73.02934	5.1
77.38275	3.1
79.61002	3.0
85.02935	6.1
88.57423	2.8
89.02453	19.8
96.96019	3.9
101.02423	14.4
102.05640	3.9
104.07114	3.1
109.78384	3.0
113.02410	6.4
119.03478	6.8
128.03525	6.6
133.40591	3.4
135.04480	3.8
161.04469	3.4
179.05589	6.6
182.73996	3.5
205.12424	6.9
269.04474	7.4
287.02393	3.5
297.03973	5.2
369.15518	13.1
370.97339	4.1
394.41592	4.2
444.12204	3.5
444.22632	6.0
445.07947	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	444.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.9
61.98832	100.0
69.10313	5.8
78.95943	0.8
82.78524	0.8
82.97729	0.8
194.18507	1.0
277.21689	10.8
278.00101	0.8
302.36688	0.9
318.59689	0.9
352.75208	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
59.63228	0.8
61.98829	100.0
70.42653	0.8
71.13065	0.9
74.50835	0.8
86.17722	0.8
98.38331	0.9
104.78226	0.8
118.89993	1.1
139.88428	0.8
142.46922	0.9
155.34898	1.0
160.84361	0.8
176.07191	0.9
384.20950	0.8
444.34653	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	444.919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02690	0.9
59.01378	4.8
59.95604	0.8
62.90385	0.7
67.01879	2.0
68.83461	0.8
71.01375	5.2
71.41897	1.0
85.02949	22.8
89.02448	4.3
89.16508	0.8
107.05023	2.5
108.70265	1.0
111.00885	38.5
111.44957	0.9
116.28283	0.8
125.02445	1.7
129.01936	7.2
132.99060	1.1
133.69202	0.8
148.96458	1.1
149.04564	1.1
151.00125	48.1
151.04007	1.6
154.99744	1.0
166.97514	14.8
173.00902	3.5
176.98039	1.4
194.99124	4.0
206.77446	0.8
206.96783	2.3
210.96681	1.4
232.94742	1.8
246.52431	1.0
248.92108	0.9
273.98535	4.0
274.99060	1.4
312.93326	0.9
330.96036	43.1
331.96240	2.6
338.92914	1.7
344.93973	12.6
356.93951	100.0
357.94360	5.5
374.94910	6.9
382.91550	2.1
400.92703	6.4
444.91882	3.7
445.13321	1.8
458.42953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98816	2.3
62.72070	0.6
63.02414	0.8
65.00320	1.7
68.62411	0.5
69.03446	2.0
71.01376	1.3
78.98395	0.6
80.59746	0.6
83.01399	0.6
85.02950	1.0
89.02374	0.7
89.24152	0.6
91.01927	0.7
97.02914	0.9
106.43218	0.6
107.01383	4.2
108.02174	2.1
109.02932	3.1
111.00914	0.7
113.02457	0.5
121.02940	3.6
125.02438	0.8
127.07436	0.7
133.03046	0.6
139.87808	0.6
148.01692	1.4
149.02432	1.2
151.00369	15.8
159.04512	0.7
163.00377	4.5
164.01129	0.8
169.01450	0.8
178.99860	8.5
185.00859	2.0
187.03871	0.9
199.03917	1.3
203.95003	0.5
211.03967	1.4
215.03468	0.8
221.15370	0.8
225.29964	0.8
226.02718	1.5
227.03470	3.6
229.04976	1.0
243.02979	13.2
244.03590	1.0
245.04552	2.5
250.02217	0.6
254.02194	2.5
255.02988	27.6
256.03528	1.3
264.38916	0.7
268.03766	1.0
269.04535	3.7
271.02475	60.5
272.03024	4.0
273.04010	2.3
283.02505	2.6
283.15503	3.4
297.04041	2.2
299.02069	2.3
300.02747	84.1
301.03503	100.0
302.03885	5.6
325.03494	1.2
327.05072	0.7
445.07764	59.6
446.08145	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	445.0776
Annotation	Apigenin 4'-glucuronide
Peak:m/z	Relative Intensity
59.01377	17.4
61.98818	4.0
69.09064	3.1
69.09464	7.7
71.01366	4.1
74.19614	1.3
89.02454	3.0
98.21884	3.2
101.02450	2.3
113.02479	2.5
117.36412	1.2
121.02915	1.8
139.62755	1.3
165.01968	2.7
197.06003	3.4
205.12373	2.0
207.54471	1.6
240.04268	3.2
241.05061	2.6
255.03052	4.8
267.02844	2.2
268.03754	12.8
269.04547	100.0
270.04871	6.5
279.03372	1.5
281.04581	4.0
284.03076	2.2
296.03259	4.3
297.00806	2.8
297.04062	40.9
298.04465	3.1
308.03311	2.4
309.03979	5.6
310.04758	1.6
312.02713	2.6
325.03513	35.6
326.03891	2.7
327.05121	19.5
339.04950	4.4
355.04691	12.6
363.04749	1.6
417.08710	1.6
427.06546	2.2
445.07764	73.5
446.08264	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1351
Annotation	Bungeiside D
Peak:m/z	Relative Intensity
55.01860	2.1
57.03441	3.3
58.00579	2.2
59.01381	96.6
60.28780	1.6
62.77015	1.5
69.03463	9.3
70.33916	2.6
70.34270	2.9
71.01383	100.0
72.97099	1.6
72.99339	1.7
73.02950	10.7
81.03456	7.4
83.01384	7.2
85.02950	17.5
87.00874	2.9
87.32802	1.6
87.56222	1.6
89.02446	90.4
90.02792	2.0
97.02962	10.8
99.00840	3.4
101.02448	23.9
107.05042	34.7
109.01531	1.7
113.02467	14.8
119.03506	2.6
121.02953	2.0
125.02453	35.2
128.03513	3.3
131.03506	19.1
143.03571	4.3
149.04567	25.1
150.13466	1.8
151.04015	29.8
161.04524	3.6
191.05618	8.7
204.50702	1.7
233.06593	7.6
258.58084	1.6
276.07874	1.7
293.08737	17.9
403.62769	2.0
445.13516	62.4
445.19128	4.7
446.13904	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	445.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40018	2.3
56.05663	2.3
59.01075	4.6
59.01379	88.3
61.98803	5.4
69.36752	12.1
70.03292	2.2
71.01385	30.0
73.02948	35.0
75.97430	2.3
85.02945	14.9
87.00874	13.0
87.04503	5.4
89.02463	27.6
98.22603	5.5
101.02450	43.5
103.04044	14.2
105.51012	2.5
113.02450	3.3
115.04023	13.0
119.03529	8.0
119.05028	31.9
131.03513	10.7
143.03523	14.0
145.05072	4.0
163.06140	35.4
205.07198	22.3
299.11407	7.7
445.17175	100.0
446.17389	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	445.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.0
57.03450	1.1
59.01380	95.2
60.01719	0.9
60.11787	1.0
69.03430	1.2
69.29829	4.6
71.01381	30.3
72.99303	2.6
73.02946	38.3
74.85880	0.9
77.42737	0.9
83.01401	4.4
85.02945	13.4
86.00092	1.9
87.00871	10.5
87.04516	5.6
89.02447	31.4
97.02949	2.1
98.22631	2.1
99.04563	1.3
101.02443	45.0
103.04021	13.4
111.32243	1.1
113.02435	6.6
115.04006	14.3
119.03541	12.9
119.05031	34.7
125.02464	3.1
127.04031	1.2
131.03520	15.9
137.06114	2.4
143.03505	19.0
145.05072	4.4
156.92586	1.0
161.04549	1.8
162.68938	1.0
163.06133	30.0
164.06453	1.1
179.05557	1.7
205.07156	26.0
205.08975	1.9
261.33679	1.1
265.09183	1.2
299.11365	7.5
352.41995	1.2
445.17139	100.0
446.17639	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	445.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89399	0.4
55.01875	0.6
59.01379	100.0
60.01713	0.8
61.98829	2.4
66.95485	0.4
69.39091	0.7
69.39493	1.6
71.01380	8.0
73.02959	2.1
83.01385	0.6
85.02969	2.1
87.00887	0.6
89.02451	5.7
101.02438	5.3
113.02468	3.9
119.03506	2.2
143.03490	0.6
153.09247	0.6
159.02982	0.5
161.04544	5.3
165.09200	0.9
177.58015	0.5
179.05635	1.1
205.12366	1.6
223.13457	0.9
385.18881	1.4
386.19537	0.5
445.20901	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1848
Annotation	(+)-Epiyangambin
Peak:m/z	Relative Intensity
57.42098	21.2
59.01380	30.2
61.98829	33.5
62.72611	18.5
69.32177	100.0
76.09322	19.2
79.36971	18.2
87.49786	17.1
109.17989	17.9
112.78438	20.8
126.84413	16.1
159.15948	21.3
236.35017	20.7
317.83154	17.8
357.16830	20.6
445.18250	58.7
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
57.03465	0.5
59.01382	100.0
71.01388	10.3
73.02943	0.6
83.01407	0.5
85.02969	1.5
89.02448	15.2
93.56110	0.5
98.21772	0.8
101.02454	6.0
107.05064	0.5
113.02459	5.4
119.03500	7.2
131.03584	0.5
143.03537	1.1
144.27917	0.4
149.04597	1.1
149.06050	0.7
161.04596	1.4
163.11287	0.5
179.03587	0.6
179.05626	2.5
179.10826	0.6
205.12354	5.1
269.04694	2.0
297.04089	0.9
325.03732	1.0
355.04276	0.5
445.07715	2.6
445.20947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98824	0.7
58.34945	0.7
59.01378	100.0
68.81451	0.7
69.32900	3.1
71.01380	15.0
82.59377	0.8
83.05018	3.0
84.10345	0.7
85.02950	2.4
87.00873	1.0
89.02440	23.3
95.01407	1.1
101.02444	8.3
102.57330	0.7
113.02448	6.4
119.03493	10.6
131.03499	1.5
141.41336	0.8
143.03473	1.9
149.04628	0.9
161.04543	3.1
179.05595	18.3
213.66013	0.8
221.69011	0.7
252.62541	0.8
445.20923	1.4
467.68594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34917	2.1
59.01381	100.0
70.11755	2.3
71.01382	31.3
71.44290	2.0
73.02947	8.8
73.85077	2.2
85.02966	10.3
87.00868	2.4
89.02431	18.6
91.45093	2.1
95.01389	2.5
97.13847	2.0
99.00885	2.7
101.02451	19.6
103.03994	2.8
105.27470	2.6
113.02466	12.3
113.06063	2.6
119.03518	4.5
138.06911	4.4
139.07652	3.5
143.03511	3.0
151.07684	9.9
152.08417	12.8
153.09227	45.4
161.04578	18.8
163.06064	6.5
163.11400	2.6
184.99074	2.6
193.32739	2.1
205.07280	2.6
205.12373	16.6
223.13382	19.9
274.09116	2.8
385.18671	31.5
445.17087	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	445.2079
Annotation	Trp Glu Ile
Peak:m/z	Relative Intensity
52.86415	0.3
55.01872	2.0
57.03452	2.1
58.00598	1.2
59.01379	100.0
60.01720	0.7
61.98829	1.3
69.03461	0.8
71.01382	69.7
72.01721	0.5
72.99310	2.2
73.02943	9.1
81.03477	0.4
82.95443	0.3
83.01382	5.6
84.02193	0.4
84.42979	0.3
85.02949	15.6
87.00882	3.8
89.02445	86.5
90.02779	0.8
92.84422	0.3
95.01392	3.9
97.02948	1.4
98.14860	0.3
99.00884	3.1
99.83222	0.3
101.02445	43.3
102.02799	0.4
113.02453	27.2
114.65108	0.3
119.03507	32.2
125.02448	2.0
129.01981	0.4
131.03517	11.5
143.03513	6.4
149.04562	15.7
150.04880	0.4
151.11401	0.4
159.03038	0.4
161.03217	0.4
161.04568	9.6
179.05623	14.4
191.05617	3.8
233.06564	0.7
268.03671	0.3
269.04437	1.3
297.03915	0.6
306.09244	0.3
313.16574	15.4
314.16827	1.1
325.03619	0.4
445.07339	0.6
445.20712	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.5
59.01380	100.0
60.01708	0.5
61.08090	0.3
61.98824	2.3
71.01385	7.0
71.42922	0.3
73.02944	2.4
82.95435	1.1
83.01393	0.8
85.02947	2.0
88.04040	1.4
89.02442	5.6
89.02995	0.3
95.01402	0.4
99.00894	0.7
101.02447	3.6
109.04029	0.5
113.02443	2.9
115.47054	0.3
116.56657	0.3
119.03492	2.1
121.03023	0.3
127.05157	1.0
128.03574	0.5
143.03531	0.6
153.09265	0.3
161.04555	3.8
161.05687	0.4
161.64589	0.3
163.11342	0.3
165.09245	0.8
168.10620	0.3
179.03639	0.4
179.05644	0.9
205.12369	2.0
223.13441	0.3
269.04617	1.0
297.04239	0.4
318.73041	0.3
385.18759	0.9
401.18356	0.4
445.08148	0.5
445.20761	2.2
446.24045	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.4
61.98822	1.7
63.94449	0.4
69.17432	2.8
70.40002	0.5
78.95901	6.1
80.28137	0.4
86.74255	0.5
89.16262	0.4
98.70325	0.4
110.98527	5.8
119.61249	0.5
152.99493	0.5
167.01109	1.9
167.64844	0.4
185.02222	4.9
210.66585	0.4
231.85213	0.6
233.22876	0.5
238.10936	0.4
259.20618	0.5
272.87433	0.5
277.21719	100.0
278.22061	7.0
445.23608	7.2
446.23532	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54568	0.4
59.01374	1.3
61.50887	0.5
64.83196	0.4
69.70310	1.4
69.70651	0.5
72.29648	0.4
78.80395	0.4
78.95901	4.6
81.88040	0.4
110.98521	4.7
134.08235	0.4
134.93050	0.4
152.99567	0.5
159.53508	0.4
159.63365	0.4
167.01105	2.0
185.02148	4.0
277.21722	100.0
278.22058	6.2
315.99680	0.5
445.23615	8.7
446.24011	0.8
450.47672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24609	0.5
59.01377	1.8
65.46456	0.5
69.07861	0.5
69.44920	0.8
69.45302	1.2
71.01367	0.6
78.95905	21.6
83.04997	0.7
89.01017	0.5
94.79777	0.4
104.97470	1.3
110.98534	13.8
127.07645	0.5
137.00090	1.0
152.99577	0.8
167.01155	14.6
185.02188	4.1
209.08199	1.0
219.42325	0.5
259.20599	0.5
277.21716	100.0
278.22104	7.3
278.79034	0.5
326.05453	0.5
445.23584	21.2
446.23981	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	445.2361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22810	0.8
56.11590	0.8
59.01373	2.4
69.66683	2.4
76.27908	0.7
78.95907	11.2
110.98535	7.4
128.76651	0.8
167.01115	6.5
185.02234	3.9
185.46463	0.9
203.28886	0.9
206.78252	0.7
209.08290	1.0
259.20645	1.0
277.21735	100.0
278.22083	6.7
445.23557	16.1
446.23874	0.9
461.65048	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33417	0.8
59.01385	4.7
61.91237	0.6
61.98830	100.0
69.30435	2.4
69.30839	1.2
71.01389	1.8
82.95411	0.7
88.02332	0.7
89.02461	1.1
101.02441	1.4
107.75546	0.7
135.04564	1.6
144.37726	0.8
183.07834	0.6
197.07440	0.7
209.08289	0.9
373.41318	0.7
446.20349	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	446.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	5.9
60.01712	0.4
61.98830	100.0
69.37598	0.4
69.37981	0.8
71.01393	1.0
79.76783	0.2
89.02452	1.2
101.02466	0.5
113.02470	0.5
115.05090	0.3
119.03516	0.5
120.03883	0.3
133.02950	1.2
148.04436	0.3
163.04068	0.3
165.01976	0.4
168.03229	0.2
175.04086	0.5
181.54106	0.3
193.01459	0.3
201.01871	0.2
206.12823	0.3
269.04520	0.6
270.04993	0.7
284.03146	0.4
285.04105	1.5
297.03998	2.0
298.04764	1.8
299.05588	2.4
311.05597	0.5
326.04269	0.5
327.05103	8.0
339.05344	0.5
357.06119	3.9
369.05896	0.4
387.20496	1.4
417.18585	0.3
429.08582	0.5
446.08386	0.8
447.09338	6.4
447.18546	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.2
61.98830	100.0
68.13325	0.7
69.45268	2.0
69.45671	1.6
78.95902	12.4
96.96032	2.3
96.96954	1.5
97.24666	0.6
107.02378	0.7
152.99583	22.2
153.00786	1.5
171.00746	0.9
181.54590	0.8
190.81837	0.7
305.55737	0.8
447.21643	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47072	1.2
57.99531	1.2
59.01376	14.3
61.98830	100.0
78.95908	45.3
96.96997	5.5
115.18150	1.3
152.99590	95.2
162.83951	2.7
171.00676	5.1
209.77815	1.4
253.53886	1.3
312.22598	2.1
447.21426	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	446.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00620	0.7
50.34792	0.6
53.12837	0.7
59.01376	5.3
61.98832	100.0
73.67729	0.7
78.95907	9.0
96.96003	1.4
96.96954	1.1
102.93489	0.8
152.99596	14.6
181.41055	0.8
195.56256	0.8
203.75673	0.7
447.22025	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	446.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74618	0.6
59.01377	2.1
61.98830	100.0
67.21163	0.6
69.58987	2.0
78.20428	0.5
78.91925	0.6
78.95905	5.5
96.96024	1.9
96.96988	0.9
134.21393	0.5
152.99602	8.0
193.63568	0.6
213.44495	0.5
285.05618	0.6
364.00171	0.6
386.15137	1.1
447.21811	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	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73871	0.6
59.01388	1.6
61.98833	100.0
69.37459	1.4
69.37858	2.1
71.23627	0.6
78.43594	0.6
78.95917	3.6
79.65753	0.6
95.50328	0.8
99.92660	0.8
118.89967	0.7
134.89482	0.7
152.99574	6.3
153.03644	0.7
162.32391	0.6
174.78128	0.6
244.25650	0.6
251.29065	0.7
299.14432	0.6
302.13705	0.6
414.23492	0.6
447.21719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54650	0.6
53.18398	0.8
57.03433	1.3
58.71251	0.7
59.01380	60.7
60.01715	0.9
60.44682	0.6
61.98829	7.9
66.25129	0.6
69.66322	2.1
71.01389	5.5
71.05031	0.7
73.02939	1.3
74.02468	1.0
75.00853	1.6
81.32229	0.7
84.04549	5.0
85.02950	1.5
85.42503	0.7
87.00894	0.8
89.02441	7.1
98.21889	0.9
99.38210	0.7
100.07654	0.9
101.02473	3.7
102.05615	30.5
111.08157	2.1
113.02451	2.7
113.09719	1.3
119.03469	2.9
123.08145	0.8
125.09681	0.9
128.03548	55.9
129.03854	1.4
143.03532	1.4
146.04601	8.9
149.02400	0.8
153.05595	0.9
155.10812	0.9
161.04593	1.7
170.15489	1.3
179.05640	2.0
193.01413	0.8
198.15088	1.4
201.10768	0.7
208.03891	1.2
219.17551	2.8
223.06116	3.1
237.18550	5.1
245.05777	0.8
255.19679	7.4
263.16559	2.9
273.20639	1.4
281.17590	8.2
297.17395	0.8
299.18643	20.2
299.90863	1.0
300.18866	0.9
317.19681	27.2
318.19995	1.5
327.05075	2.2
384.23758	2.3
386.19498	0.8
387.20062	1.5
402.24832	2.2
428.22754	5.0
446.23969	100.0
447.09598	1.0
447.24249	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	446.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.5
61.98832	5.6
65.28758	0.8
69.17187	1.7
69.17595	3.1
84.04530	4.9
87.00888	1.1
102.05610	28.7
103.32607	0.8
125.09736	0.9
128.03548	54.2
129.03853	1.0
146.04593	8.7
161.02361	0.8
225.23460	0.9
237.18631	2.3
239.16486	1.8
255.19621	14.2
257.17587	28.2
258.17859	1.2
284.03250	1.1
285.04044	1.1
299.05624	1.3
299.18735	2.3
300.02612	1.3
317.16138	1.7
317.19666	16.6
327.05109	4.8
340.24844	2.2
342.22803	6.8
357.06119	2.5
360.55124	0.9
386.21735	1.4
393.37836	1.0
428.22803	6.4
446.23956	100.0
447.09378	4.4
447.24359	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	446.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04016	2.6
52.61501	2.6
55.17917	2.4
56.63742	2.5
59.01371	5.9
61.98828	8.0
71.44827	2.5
79.95753	7.7
91.04014	29.0
105.31180	2.8
154.21028	2.6
160.84367	2.7
202.84709	2.5
211.13390	15.5
229.14450	10.4
311.22241	13.2
329.23322	100.0
330.24060	5.8
331.19131	5.3
401.98459	3.0
446.21793	8.4
447.20895	3.6
455.32898	3.1
461.74832	3.2
462.43311	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	446.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	22.9
61.98818	19.7
62.50986	6.1
63.96233	16.5
69.03488	7.4
71.44892	7.0
77.88786	6.0
79.95740	29.8
91.04002	24.0
96.96011	43.4
99.92570	26.8
115.92059	10.4
116.92854	7.7
118.89977	18.1
171.10245	23.8
203.57738	6.5
247.81145	6.9
249.14972	19.0
329.23416	100.0
330.23605	6.8
354.31683	7.1
374.12164	8.5
390.07336	6.6
410.13937	21.3
447.20831	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	446.291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61639	3.7
70.70228	3.6
70.77006	7.2
84.35375	3.9
92.61198	3.8
101.06083	47.1
182.32883	3.7
279.23135	5.0
301.21680	11.8
403.23499	7.3
403.28513	100.0
404.28928	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	447.0639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42422	0.9
64.02474	0.7
65.39892	0.7
74.99074	3.5
78.95917	1.2
91.02216	1.1
93.00115	1.2
93.58323	0.8
110.98546	1.2
150.98839	1.8
152.96851	0.8
185.02171	1.1
208.97633	40.2
209.97725	2.5
225.00763	100.0
226.00868	4.8
243.01768	11.3
243.45244	0.9
279.23303	31.4
447.09216	1.3
447.25201	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	447.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
59.37555	0.6
61.98832	11.2
65.00307	0.9
70.51128	0.9
121.02974	0.7
133.02992	4.9
135.04491	1.2
151.00345	3.0
163.00337	0.8
165.01863	1.1
171.04532	0.9
175.03967	1.6
189.01906	0.7
199.03989	4.4
201.01981	1.1
203.03520	1.1
215.03531	2.4
216.52394	0.7
226.02580	1.6
227.03619	3.3
242.02187	7.9
243.02974	34.0
244.03114	1.5
254.02252	1.0
255.02972	5.0
257.04547	8.0
270.01678	9.3
271.02472	42.6
272.02835	2.6
284.03143	2.0
285.04056	25.3
286.04779	5.4
297.04019	4.0
298.04752	2.7
299.01935	6.2
299.05579	4.3
300.02753	18.2
300.05743	0.7
301.03409	4.9
311.05698	1.4
314.04324	31.9
315.05038	4.7
323.05789	0.9
327.01593	0.7
327.05127	16.4
328.05490	1.1
357.06238	9.9
429.08173	0.9
447.09314	100.0
448.09552	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	447.0931
Annotation	Homoorientin
Peak:m/z	Relative Intensity
52.36368	0.9
59.01369	1.1
59.32178	0.9
68.67593	1.0
69.98492	2.8
79.01902	1.5
109.02981	1.7
120.59148	1.0
121.02953	1.6
127.29132	1.0
133.02962	14.5
135.04526	2.5
147.04477	1.4
149.02420	1.1
156.84550	1.0
158.76364	1.0
161.02423	2.5
163.00337	3.0
163.03983	2.3
165.01917	2.0
175.03969	3.3
177.01920	2.2
178.12630	1.0
191.03534	1.3
193.01253	1.1
199.04005	1.9
201.01999	1.7
227.03496	1.2
229.05165	1.3
253.05164	1.8
255.06566	1.7
269.04483	2.8
284.03326	3.6
285.04071	15.3
297.04037	24.5
298.04816	15.9
299.05557	32.5
300.05829	1.2
309.04132	1.4
311.05518	6.1
324.02826	1.3
325.03522	1.9
327.05093	100.0
328.05371	5.9
339.05069	10.8
341.06668	2.4
357.06113	51.8
358.06567	2.7
369.06207	3.0
387.07834	1.1
388.84055	1.0
399.07034	1.2
429.08286	7.3
447.09302	54.6
448.09708	5.4
460.80792	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.8
60.94576	0.8
61.98819	3.1
68.34234	0.9
68.99813	4.4
69.47379	2.9
69.47783	2.0
74.99091	2.0
89.92278	0.7
92.31538	0.8
93.03476	1.3
121.02950	4.3
123.00892	3.6
125.02463	2.4
133.02975	2.1
134.03732	1.0
135.04532	2.8
137.02467	1.3
138.03226	9.4
149.02451	17.1
152.01163	4.8
153.05586	12.2
163.04044	6.1
164.04794	16.6
165.01898	5.0
168.04283	1.7
175.00415	3.4
175.04007	1.1
176.01039	2.1
177.01880	2.7
177.05641	1.1
178.02721	1.4
179.07088	5.3
180.04311	1.3
191.03542	2.7
192.04277	4.4
193.01425	26.1
193.05045	1.4
194.01926	1.0
200.71368	0.8
207.06607	4.2
208.03770	45.2
209.04198	1.1
219.67210	1.0
222.05261	1.1
223.06119	100.0
224.04556	1.3
224.06467	6.4
261.04785	0.9
271.13364	0.9
279.05658	1.4
285.04126	1.6
297.03992	2.5
298.04877	2.6
299.05600	5.0
311.83939	0.9
315.12372	1.1
327.05066	10.8
357.06155	7.0
373.12943	6.2
403.13934	2.7
437.55032	1.2
447.08548	6.3
448.09360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77736	0.3
59.01373	0.5
61.98817	0.8
62.96407	0.8
63.04362	0.3
69.77164	0.5
69.77537	0.7
78.95905	36.2
94.85657	0.3
96.96957	2.4
98.22561	0.7
108.92829	0.3
118.02962	0.5
146.02484	2.9
149.00096	17.9
158.92542	2.1
179.01184	2.0
198.41469	0.3
205.15953	1.6
267.11511	0.5
270.07007	0.3
281.74930	0.3
289.18179	0.3
347.07883	0.4
417.12469	1.1
431.10318	3.1
447.13367	100.0
448.13785	5.9
448.24316	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	77.2
61.98840	2.1
64.16093	1.1
65.77161	1.1
71.01374	4.1
89.02451	3.3
96.96002	2.9
102.36642	1.1
107.05045	3.4
108.79685	1.1
119.03502	1.5
123.04563	1.4
134.03772	1.9
135.04523	20.7
137.02460	3.5
150.05585	2.1
152.07147	7.9
157.40813	1.3
165.01926	16.4
173.47147	1.2
177.01990	1.4
177.65804	1.1
179.05621	1.0
180.04291	35.3
192.04279	1.6
195.03023	9.9
195.04689	1.9
195.06602	39.1
207.06573	2.9
210.05328	21.3
225.07678	100.0
226.07983	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	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89614	0.8
59.01379	100.0
61.98833	4.3
70.20234	1.1
70.20544	1.4
71.01386	5.7
85.02972	1.4
89.02457	5.7
97.34597	0.7
101.02473	3.4
113.02499	2.2
119.03548	2.7
143.03568	1.2
161.04631	3.3
179.05695	1.6
189.12907	1.6
204.08896	0.8
224.72578	0.9
255.03320	1.1
284.03497	2.1
285.04147	2.1
286.04434	0.7
387.20364	4.7
402.63495	0.8
420.41986	0.7
447.09564	3.4
447.22791	1.0
455.17267	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12586	0.6
59.01380	100.0
60.01712	0.8
61.98831	4.8
71.01378	14.6
73.02936	1.3
85.02971	2.9
87.00904	1.1
89.02445	23.4
95.01372	1.1
101.02435	9.9
101.03008	0.8
105.32361	0.8
113.02430	7.5
113.26771	0.7
119.03498	10.4
131.03537	0.8
143.03525	2.9
149.04529	0.8
161.04558	5.9
179.05621	9.4
240.76094	0.7
327.05283	1.3
357.06390	0.8
362.41501	0.7
387.20181	8.2
447.09442	1.6
447.22263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2236
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01875	4.3
57.03450	4.6
58.00595	1.5
59.01381	93.9
60.01715	0.7
61.98827	0.9
65.37435	0.3
69.03455	3.0
69.24243	2.1
71.01382	100.0
72.01712	1.1
72.99305	2.4
73.02946	24.6
75.00882	1.4
81.03462	1.8
82.01968	0.3
83.01390	12.9
84.02185	0.5
85.02954	32.5
86.00088	1.0
86.03302	0.4
87.00398	0.7
87.00882	6.2
89.02446	70.2
89.80650	0.3
90.02781	0.6
95.01385	4.6
97.02955	4.2
98.20653	0.4
99.00884	9.7
100.01736	0.4
101.02446	64.3
102.02795	1.0
111.00877	6.1
113.02452	29.8
114.02856	0.5
115.04044	1.5
119.03497	5.1
120.73983	0.4
125.02449	9.4
127.03972	0.6
129.01950	0.9
131.03508	37.6
139.04004	0.7
141.01855	0.4
143.03510	5.2
149.04562	25.1
159.02986	4.2
161.04564	38.3
162.04945	0.8
173.04559	0.6
179.05702	0.8
187.06096	0.4
191.05612	7.1
203.05682	0.4
205.03583	0.6
215.05579	1.2
219.13885	0.5
223.13354	1.1
233.06648	5.9
237.14917	0.8
293.08704	3.3
297.16843	0.6
315.18112	30.0
316.18448	1.6
332.32269	0.4
409.10513	0.5
441.71460	0.4
442.64554	0.4
447.22354	68.9
448.22690	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	447.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68699	0.4
59.01378	100.0
60.01711	0.6
61.98827	6.1
65.88719	0.4
69.35648	2.1
71.01384	6.8
73.02934	1.9
79.35757	0.4
85.02953	1.5
89.02441	8.8
101.02441	5.4
108.30444	0.3
113.02448	4.0
119.03493	3.4
122.89458	0.4
124.51039	0.4
128.92130	0.4
131.03532	0.5
141.34238	0.4
143.03522	0.8
152.08553	0.6
161.04550	2.4
169.09395	0.4
174.06525	0.4
177.15749	0.5
179.05608	3.5
189.12901	0.8
207.13940	0.6
225.07765	0.8
314.58310	0.5
378.30655	0.4
387.20209	8.2
388.20654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2235
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01870	4.5
57.03454	4.9
58.00606	0.6
59.01380	61.4
61.51150	0.5
61.98838	0.6
69.03455	1.4
69.49667	1.2
69.50033	2.0
71.01383	100.0
72.01715	0.9
72.99316	2.2
73.02950	30.1
75.00871	1.6
75.94283	0.6
76.38722	0.5
83.01392	12.6
83.01884	0.8
84.02183	0.9
85.02951	41.6
86.65925	0.7
87.00881	4.0
89.02443	33.4
95.01382	6.5
97.02981	3.5
99.00880	13.7
101.02446	62.7
102.02769	0.8
113.02454	36.2
114.02802	0.8
115.16378	0.6
119.03497	6.8
125.02428	4.6
129.01958	1.8
131.03502	5.2
140.45261	0.6
143.03510	6.2
146.74590	0.6
149.04567	5.7
159.02988	9.0
161.04562	81.4
162.04886	2.2
179.05682	2.0
185.76573	0.7
191.05663	1.7
205.03560	2.1
293.08899	1.0
315.18118	73.0
316.18506	4.0
447.22321	18.8
448.22754	1.5
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
55.01876	0.6
59.01380	100.0
60.01715	0.5
61.98832	8.2
63.89574	0.4
69.58081	1.3
71.01381	9.9
73.02946	3.7
77.21121	0.3
78.56035	0.4
83.01400	1.7
84.76175	0.4
85.02950	3.4
87.00877	0.9
89.02444	5.3
95.01394	0.8
97.02976	0.5
99.00893	1.0
101.02440	10.0
101.03084	0.5
102.05568	0.4
113.02451	5.2
119.03499	2.5
128.03444	0.4
130.11369	0.3
133.03004	1.3
143.03539	1.2
146.04562	0.5
159.03004	1.3
161.04559	11.1
162.05008	0.4
163.00334	0.4
179.05670	0.9
235.34642	0.4
284.03253	4.0
285.04080	6.9
297.04245	0.8
299.05640	1.9
327.05170	4.0
339.05197	0.4
357.06024	2.4
377.22131	0.4
387.20270	15.5
388.20792	0.9
447.09308	7.1
447.22607	0.9
457.92511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01700	1.2
61.98830	6.4
71.01381	5.8
73.02914	1.7
85.02972	1.8
87.00851	1.7
89.02444	3.7
92.02827	1.1
93.21065	1.2
95.17719	1.3
101.02420	3.2
109.69608	1.2
113.02436	2.7
119.03471	2.0
121.02997	2.2
131.67316	1.1
133.02945	11.0
135.04471	1.7
135.87720	1.2
161.04568	4.2
163.00357	1.3
163.04036	1.9
165.01973	1.7
175.03958	3.0
177.01878	1.2
179.03212	1.3
179.05623	1.3
182.04056	2.6
183.04607	1.4
197.06337	2.7
198.96208	1.1
209.71004	1.1
223.06175	2.2
265.69821	1.4
269.04526	2.5
284.03210	4.5
285.04037	9.9
297.04102	17.4
298.04684	9.0
299.05606	19.6
311.05548	4.1
327.05093	53.8
328.05429	3.7
339.05026	5.3
357.06177	32.1
358.06595	2.8
387.20273	10.8
416.05737	1.3
429.08383	4.6
447.09247	41.4
447.22195	1.4
448.09583	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	447.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
67.79505	0.3
71.30117	0.3
78.95901	4.3
83.46271	0.3
110.98522	4.1
124.51903	0.3
134.01610	0.3
138.90578	0.3
143.37523	0.3
166.99965	0.3
167.01143	1.7
185.02196	3.5
208.97638	1.4
225.00757	3.5
279.23279	100.0
280.23645	6.1
342.50394	0.4
447.25159	7.7
448.25534	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82065	0.3
59.01366	0.8
60.58161	0.4
63.69323	0.3
69.69801	1.3
78.95904	15.3
85.32614	0.4
94.99035	0.4
104.97488	0.6
110.98537	11.9
137.00101	0.6
137.64122	0.3
152.99599	0.8
160.01672	0.4
162.89413	0.6
167.01152	11.7
175.04041	0.7
185.02211	3.4
209.84589	0.4
234.14301	0.4
279.23294	100.0
280.23639	5.6
360.52533	0.4
447.25153	16.4
448.25510	1.7
465.15060	0.4
467.24359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46748	0.6
59.01378	9.1
61.98829	100.0
70.64718	1.2
71.01390	2.0
73.02927	0.6
85.02953	0.5
89.02455	1.8
96.14811	0.5
101.02439	1.3
108.37798	0.5
112.37727	0.5
113.02488	0.7
154.48695	0.5
161.04572	0.8
183.69286	0.6
196.27188	0.7
228.60960	0.6
312.74396	0.8
405.25226	0.6
448.22964	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	448.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.1
61.98831	100.0
69.49513	1.1
89.02438	0.4
95.79410	0.4
98.21819	0.4
101.02509	0.4
133.02983	0.5
134.03365	0.4
135.04512	0.4
135.11823	0.4
137.02496	0.3
149.02463	0.7
151.00389	0.9
165.01945	1.2
179.10796	2.4
195.06627	0.7
208.03748	0.5
211.06001	0.4
223.06174	1.4
223.09769	5.6
243.02963	1.0
244.03398	1.1
261.25064	0.4
271.02490	1.2
272.02802	1.8
285.03989	0.8
286.04395	1.9
287.05576	0.6
288.72177	0.4
297.04156	0.3
298.04501	1.1
299.05185	1.6
300.02902	0.6
300.06036	1.3
301.03247	1.5
314.04306	0.5
315.04791	1.4
317.32712	0.3
327.05182	1.3
328.05450	4.5
340.05563	0.3
357.06259	0.5
358.06458	2.9
369.20822	0.3
385.15063	0.5
430.08737	0.5
448.09720	9.4
448.14850	0.3
448.22336	0.4
449.10034	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90943	0.2
59.01375	10.0
60.01721	0.8
61.98828	100.0
69.40560	1.0
71.01389	0.8
89.02450	0.6
96.52166	0.3
98.21825	0.3
101.02454	0.4
115.53402	0.3
119.03490	0.2
123.34966	0.2
129.70175	0.3
147.85307	0.2
161.04637	0.3
199.93478	0.3
388.20566	0.7
404.79541	0.2
443.10596	0.3
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
59.01379	4.9
60.01729	0.6
61.98830	100.0
69.31285	0.4
69.41216	1.2
73.04260	0.3
89.02457	0.9
108.14973	0.3
119.03531	0.5
153.99133	0.3
161.47615	0.3
201.92656	0.3
232.60706	0.3
283.50739	0.3
439.21783	0.4
441.84784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59898	0.5
59.01379	4.8
61.98829	100.0
62.81095	0.5
68.53294	0.4
69.55686	0.4
71.01391	0.6
77.88424	0.5
89.02457	0.6
116.92887	0.8
117.92873	0.8
118.00581	0.4
128.03667	0.5
150.28766	0.5
199.38237	0.4
203.30980	0.5
224.21501	0.5
319.21252	0.5
341.50381	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.0
61.98831	100.0
62.85936	0.6
70.71452	1.3
91.64854	0.6
128.03581	0.7
158.14134	0.6
173.36494	0.6
285.99564	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20380	0.3
59.01379	7.1
60.01709	0.7
60.87918	0.4
61.98830	100.0
69.18148	1.7
69.18552	0.5
71.01385	6.8
72.01710	0.7
72.43388	0.4
72.99300	0.5
73.02948	1.7
83.01398	0.8
85.02953	1.3
86.03299	0.7
87.00887	0.6
89.02450	4.0
90.02806	0.8
98.90190	0.4
99.00905	0.6
101.02457	4.1
102.02802	0.7
113.02492	1.5
114.02787	0.8
119.03533	0.7
123.95941	0.4
125.02440	0.5
131.03525	1.8
133.03009	0.5
149.04517	0.9
161.04547	2.2
162.05022	0.5
167.10420	0.5
258.66913	0.4
285.04089	1.0
286.04376	1.2
297.04022	0.4
298.04593	1.4
299.05402	1.3
300.02908	0.4
300.06122	1.4
312.06229	0.4
314.05554	0.4
316.18509	1.4
327.05008	0.8
328.05450	4.9
340.05463	0.7
357.06250	0.6
357.91687	0.4
358.06573	1.7
391.47736	0.5
425.92538	0.5
448.09637	3.6
448.16470	0.6
448.22678	5.0
456.79056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	100.0
59.34383	4.8
60.01719	8.9
61.98828	47.1
69.61694	18.5
71.01369	19.5
82.77563	4.7
82.95419	9.7
89.02437	23.5
96.96066	4.8
101.02432	13.2
113.02444	9.9
119.03503	10.0
121.62234	5.5
135.04515	16.0
155.20480	5.7
179.05560	10.9
448.17520	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	448.2339
Annotation	Caerunine
Peak:m/z	Relative Intensity
54.94247	0.4
59.01374	1.6
60.18654	0.4
61.98832	4.3
70.53564	0.8
71.01385	8.9
71.07693	0.4
88.04040	62.4
97.00249	0.4
98.21988	0.5
110.06091	1.1
114.01967	1.2
115.00373	13.1
118.02976	0.7
132.03029	35.5
133.03291	0.4
146.02487	1.8
147.91566	0.4
226.95290	0.4
251.05931	0.5
255.17358	0.4
271.20691	2.7
288.23425	2.0
289.21674	5.8
299.05722	0.5
300.05923	0.7
315.19852	1.0
328.05493	1.3
332.22366	5.3
333.20630	5.8
334.21048	0.8
342.24734	0.9
358.06540	1.5
360.25394	0.6
384.85345	0.6
386.23508	1.7
404.24533	1.7
430.22360	1.6
448.10718	2.4
448.23404	100.0
449.23761	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	448.234
Annotation	Caerunine
Peak:m/z	Relative Intensity
56.04718	1.1
59.01368	4.3
60.84926	1.1
61.98821	4.0
64.24337	1.0
68.75137	1.0
71.01382	7.9
72.00835	1.0
83.05046	1.6
88.04041	72.2
96.96028	1.4
114.01969	2.7
115.00377	17.4
132.03024	66.8
260.55624	1.1
271.20697	2.1
277.56888	1.2
289.21652	3.0
298.04349	1.2
299.05334	1.5
315.19543	4.8
327.05237	1.8
328.05386	2.9
332.22168	3.5
333.20544	3.1
358.06406	4.2
448.09909	4.6
448.23401	100.0
449.23813	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41467	0.8
59.01384	1.6
61.98833	23.8
69.43099	1.5
69.43502	2.8
74.01723	0.7
78.91933	1.1
78.95911	26.4
80.91694	1.2
96.96045	1.8
96.96973	1.0
98.22637	1.8
140.01207	1.4
152.99586	27.0
153.86665	0.8
153.99960	2.6
165.32422	0.8
171.00639	0.8
196.03770	1.7
214.04916	2.3
251.20168	100.0
252.20534	5.2
282.79193	0.9
311.76721	0.8
374.52417	0.9
412.16284	2.2
448.25266	7.9
449.23102	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	448.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68122	0.9
56.00732	0.9
57.24166	0.9
60.46942	0.8
69.65721	1.1
112.57165	0.9
113.59061	1.0
118.02988	36.7
119.03311	1.4
140.10883	0.9
146.02484	100.0
147.02887	3.0
191.16206	1.0
198.74609	0.9
323.90527	1.1
376.26569	1.9
404.25882	10.6
405.26324	1.6
448.24884	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	448.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93586	0.4
59.01367	2.1
61.98830	100.0
69.27596	1.6
78.95906	11.4
79.95757	0.4
96.96017	1.5
96.96968	0.9
98.21867	1.0
99.92567	0.8
115.99947	0.5
136.12840	0.6
141.76801	0.5
149.00084	3.4
150.00418	0.9
152.99600	3.4
153.99927	0.6
179.01096	0.5
185.58937	0.5
226.88281	0.4
275.93924	0.5
413.81082	0.5
448.13751	23.9
449.13910	1.6
449.22763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.2
61.14304	0.8
61.64585	0.9
61.98833	100.0
62.33996	0.9
78.95908	42.9
96.96954	3.9
124.87461	0.8
125.95098	1.0
138.37506	0.8
152.99591	65.9
153.99931	3.1
154.99968	0.9
171.00627	2.7
178.80394	1.0
186.37289	0.9
194.03249	1.0
225.74460	0.9
226.42273	0.8
232.30449	0.8
263.94464	1.0
304.00650	0.8
313.87131	0.8
448.21860	3.7
449.23001	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	448.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12126	0.5
58.04811	0.5
59.01384	0.7
59.44199	0.6
60.50841	0.6
61.98832	100.0
63.25685	0.6
69.78278	2.0
74.10695	0.6
78.95903	9.1
96.96976	1.2
98.21868	1.1
120.00882	0.5
127.21162	0.5
149.77687	0.5
152.99594	16.1
153.00761	1.0
153.99934	0.9
158.53964	0.5
170.82497	0.5
248.05078	0.7
251.17751	1.0
251.20158	8.2
302.54294	0.5
391.51352	0.7
448.24655	0.6
449.23267	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.5
61.98831	100.0
64.24959	0.5
69.30915	2.6
78.95902	13.8
96.96032	1.1
96.96980	1.6
140.01219	1.1
152.99588	19.3
153.99936	2.3
161.67548	0.5
171.00616	1.3
196.03810	1.0
214.04832	1.0
242.65720	0.4
251.20169	17.6
252.20598	0.8
284.92502	0.5
368.13034	0.6
388.19882	0.7
448.24557	3.0
449.23367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	16.3
61.98833	14.6
69.23078	6.6
71.01376	6.4
78.91879	8.3
85.02998	1.7
89.02456	2.1
93.03439	1.1
96.96013	4.2
98.21890	2.3
101.02484	1.9
109.02947	1.3
113.02460	1.4
119.03503	1.5
119.19759	1.2
121.02934	6.6
123.04551	1.6
135.04535	4.1
137.02449	15.6
149.02438	28.2
151.04021	1.9
152.01193	2.7
163.04005	5.7
164.04797	20.1
165.01923	100.0
166.02271	2.5
167.03465	3.0
169.05099	1.8
179.03520	15.6
179.07123	3.6
180.04276	60.8
181.04689	1.8
192.70766	1.2
193.01436	14.9
194.05779	2.1
195.02989	4.0
195.06612	84.5
196.06938	3.3
208.03757	31.3
209.04276	1.7
210.05347	14.2
213.11328	1.7
223.06102	93.6
224.06500	4.9
225.07677	68.3
225.09946	2.8
226.08067	3.0
231.17699	1.1
387.10898	1.5
401.12592	9.8
410.48459	1.4
449.14514	3.6
449.23929	2.4
459.13107	1.5
465.86972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91684	0.4
59.01381	1.0
59.37250	0.4
61.98830	9.3
62.96398	0.5
69.43072	1.9
69.90556	0.4
78.95905	51.6
88.01952	0.5
96.96018	0.6
96.96952	5.4
116.92889	1.3
116.97292	0.5
120.69106	0.4
125.87374	0.9
129.26527	0.4
150.98018	1.9
152.99591	100.0
153.99965	1.1
171.00690	3.8
174.61255	0.4
184.63318	0.5
217.00282	0.5
267.65164	0.5
295.22571	0.6
449.23090	14.0
450.23163	1.2
462.85645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98820	2.1
63.26214	0.5
66.17709	0.4
70.45873	0.7
78.95906	59.6
86.83263	0.4
94.78690	0.4
96.96009	0.6
96.96964	5.7
100.91183	0.4
101.50159	0.4
107.18050	0.4
113.79016	0.5
141.69821	0.5
150.98021	1.3
152.99591	100.0
153.99930	1.2
154.99980	0.9
171.00676	4.2
284.99524	0.5
295.22794	0.6
449.23193	17.5
449.29083	0.9
450.09018	0.5
450.23544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89418	1.0
61.98824	1.1
71.21259	1.2
71.96837	0.8
78.95904	6.3
85.73819	0.9
110.98547	4.3
150.52206	0.9
167.01207	1.3
185.02209	2.1
216.07379	1.0
281.24866	100.0
282.25186	6.7
449.26807	9.7
450.27139	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46323	0.4
61.28933	0.4
70.12401	0.8
71.62506	0.4
78.95905	8.9
110.98537	6.7
118.43243	0.4
123.29906	0.4
164.77312	0.4
167.01138	8.5
167.02443	0.7
185.02185	2.9
281.24863	100.0
282.25195	6.0
308.43427	0.4
368.99036	0.5
449.26752	20.2
450.26965	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	449.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85237	0.3
58.30756	0.3
70.53177	0.7
71.44627	0.3
75.74978	0.3
78.58426	0.3
78.95908	3.5
80.22809	0.3
83.82532	0.3
110.98524	3.4
124.13381	0.4
128.65942	0.3
152.99544	0.5
167.01190	1.1
185.02234	3.1
210.07671	0.3
247.71466	0.3
281.24854	100.0
282.25241	6.3
287.11703	0.3
318.32135	0.3
449.26736	6.7
450.27127	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
57.03436	0.8
59.01381	18.3
61.98821	2.3
69.68380	2.7
71.01382	8.8
71.29855	0.8
72.99303	1.1
73.02949	3.0
83.01388	2.8
85.02950	5.1
87.00888	1.6
89.02450	1.1
95.01382	0.9
98.22684	0.8
101.02432	4.8
111.00871	0.9
113.02431	2.8
269.21271	0.9
287.22287	22.2
288.22473	1.1
329.05731	1.5
329.23181	0.8
431.26431	4.4
449.27560	100.0
450.28046	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	449.2757
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
50.64600	0.4
55.01866	1.2
57.03432	0.8
59.01381	13.5
61.98835	1.1
65.46976	0.3
69.03460	0.4
71.01386	7.3
72.01701	0.3
72.99306	0.8
73.02945	2.7
78.22807	0.4
82.51849	0.3
83.01377	2.1
85.02954	4.7
86.00092	0.6
87.00867	1.5
89.02447	3.1
90.02767	0.4
95.01398	1.1
96.96042	0.5
99.00900	0.9
101.02448	6.1
108.81425	0.4
111.00876	0.9
113.02454	2.8
113.09707	0.6
119.03510	0.8
124.01673	0.4
125.02443	0.7
127.11253	1.0
128.55305	0.3
131.03481	0.5
135.04533	0.4
237.35420	0.4
241.21745	0.7
251.16557	0.8
269.21194	2.7
271.15094	0.4
285.20670	0.7
287.22290	36.0
288.22653	2.1
301.24020	0.4
329.05591	0.9
329.23428	0.4
359.06763	0.4
407.12442	0.4
431.26440	1.8
449.27557	100.0
450.27917	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	450.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
67.19560	1.5
69.14783	1.4
69.17114	9.4
69.76911	1.4
70.78669	1.6
73.22131	1.5
73.28014	1.4
92.73671	1.6
113.68662	1.7
124.23093	1.6
136.39232	1.6
168.89111	2.1
299.21310	1.6
410.76959	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	450.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	4.2
60.01704	0.4
61.98831	100.0
68.99821	0.2
69.57587	0.6
71.01378	0.2
77.90026	0.2
79.75117	0.2
89.02439	0.2
101.02459	1.1
102.02045	0.1
102.02755	0.1
127.04044	0.5
128.04433	0.2
155.50987	0.1
162.02438	0.2
216.85959	0.1
227.09358	0.6
227.98657	0.2
228.09525	1.2
304.56610	0.2
387.16846	0.4
407.81528	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
60.01709	0.7
61.01804	1.3
61.98829	100.0
68.44280	0.4
69.40084	2.2
69.40385	0.7
109.29234	0.4
127.17479	0.4
127.96667	0.4
222.82155	0.4
390.20627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10417	0.6
59.01387	6.6
60.01719	0.5
61.98830	100.0
69.67924	1.3
71.01390	1.1
73.90633	0.6
83.05017	1.4
89.02447	0.9
98.09882	0.5
98.21901	0.8
99.72227	0.6
101.02459	0.6
112.98792	1.4
116.93938	0.6
119.03529	0.7
119.05033	1.6
122.91975	0.6
127.55907	0.7
135.04546	0.8
145.02998	1.1
161.02402	0.6
161.66869	0.6
171.10298	1.5
172.14235	0.6
225.16133	0.9
451.32922	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	450.198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10417	0.6
59.01387	6.6
60.01719	0.5
61.98830	100.0
69.67924	1.3
71.01390	1.1
73.90633	0.6
83.05017	1.4
89.02447	0.9
98.09882	0.5
98.21901	0.8
99.72227	0.6
101.02459	0.6
112.98792	1.4
116.93938	0.6
119.03529	0.7
119.05033	1.6
122.91975	0.6
127.55907	0.7
135.04546	0.8
145.02998	1.1
161.02402	0.6
161.66869	0.6
171.10298	1.5
172.14235	0.6
225.16133	0.9
451.32922	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	450.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24951	0.6
67.16420	0.5
68.02728	0.6
70.58026	1.2
74.72601	0.6
78.95901	5.4
97.06567	0.6
100.05681	0.6
136.80545	0.6
137.09024	0.6
140.01192	1.5
152.99596	0.9
185.43102	0.5
195.04787	0.6
199.93384	0.5
214.04836	1.7
253.21732	100.0
254.22076	7.0
284.64630	0.6
399.38419	0.7
450.26208	9.9
451.26483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85075	1.0
53.04880	0.8
59.01399	1.0
61.98819	1.3
68.27444	0.9
70.94012	0.9
78.95901	18.2
80.94654	0.9
96.95957	1.2
107.64996	1.0
140.01186	5.3
142.26411	1.0
152.99617	1.3
159.33195	1.0
196.03821	7.8
214.04848	1.6
216.18530	0.9
253.21732	100.0
254.21974	6.2
278.48602	0.9
322.32813	0.9
391.17801	1.3
450.26263	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	450.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51237	0.3
69.45985	1.3
73.11047	0.4
78.95908	5.5
98.22658	0.7
101.83109	0.4
106.56860	0.3
120.20467	0.3
129.73972	0.4
140.01222	1.8
140.04463	0.5
152.99599	0.8
196.03857	0.9
214.04774	2.7
253.21732	100.0
254.22075	5.0
301.82666	0.4
450.26248	9.2
451.26852	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67872	6.5
58.31732	6.9
58.63377	7.0
59.01369	11.1
59.27518	7.8
71.42762	7.6
109.69754	7.9
121.02960	100.0
159.26373	7.2
350.27640	6.7
451.09924	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	451.1034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25537	0.2
55.47336	0.3
59.01367	0.8
61.98836	1.9
64.67905	0.3
65.74413	0.3
69.40666	0.4
69.41060	0.8
71.01360	0.5
84.30099	0.3
95.05031	0.9
95.12637	0.3
105.03461	0.3
108.02183	0.4
109.02955	22.2
110.91031	0.2
117.03444	0.8
117.73174	0.2
119.05042	1.1
121.02966	0.5
122.03727	0.5
123.04529	11.0
124.04839	0.4
125.02493	0.3
133.02950	3.1
135.00893	0.6
135.04532	0.3
145.02962	1.6
147.04526	3.6
149.02478	0.5
150.03241	1.1
151.04012	5.2
159.04541	1.2
161.02441	6.1
162.03186	0.5
163.04018	0.7
175.04030	0.5
176.01247	1.3
177.01923	21.3
178.02271	0.8
187.03987	1.4
188.04649	0.3
189.01930	48.0
190.02699	10.5
191.03499	9.5
191.05286	0.4
192.03905	0.3
201.01941	0.4
201.11346	0.3
203.03503	5.5
204.03683	0.3
216.00623	6.7
217.01407	33.1
218.02000	2.9
219.02974	13.5
220.03249	0.4
231.02972	10.2
232.03598	1.1
233.04565	1.1
251.07176	0.3
253.14375	0.4
281.04596	0.8
289.07138	1.5
297.07697	0.6
299.05560	0.4
323.05411	2.1
327.05081	0.4
341.06641	100.0
342.06979	6.0
451.10336	27.4
451.28979	0.8
452.10675	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	451.1246
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
57.03434	1.1
59.01360	0.5
69.03449	0.4
69.10016	1.3
69.10414	0.8
81.03463	2.0
83.01395	1.9
84.50723	0.3
87.00838	0.4
93.03450	0.7
94.13379	0.3
95.01373	0.4
95.05013	1.7
97.02953	3.3
99.04505	0.6
105.03471	0.4
105.12263	0.3
107.05038	0.4
108.02147	0.4
109.02949	16.7
110.03271	0.5
112.98828	0.4
121.02942	2.1
122.03730	0.6
123.04526	9.8
125.02451	11.1
126.02862	0.4
135.04503	1.8
137.02435	7.7
138.03183	0.4
139.04024	2.6
145.02946	0.7
146.03722	0.8
147.04562	0.8
149.01160	0.6
149.02441	5.7
150.03181	0.5
151.04013	6.9
152.03061	0.3
152.04285	0.4
159.04489	1.8
160.05289	1.1
161.02451	2.8
161.06073	4.5
162.03108	1.2
163.03992	1.2
164.01137	2.1
165.01920	3.3
166.02808	0.4
167.03484	1.2
173.06073	0.5
175.04001	1.6
175.07664	1.2
179.03496	5.7
180.03899	0.3
185.06090	0.4
187.03995	3.8
188.01094	0.4
188.04857	1.8
189.01921	0.6
194.43315	0.3
199.16301	0.4
201.05551	0.7
202.06371	1.7
203.03389	0.4
203.07127	10.1
205.05046	6.9
205.06940	0.4
212.04724	0.4
221.08095	2.4
227.07094	2.2
230.05833	0.4
231.02888	0.7
245.08173	15.0
246.08521	0.6
247.06082	0.8
271.06091	1.3
289.07162	100.0
290.07471	5.2
313.07092	1.7
355.08096	0.6
451.12222	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	451.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96910	66.5
53.50126	65.0
59.01380	99.1
71.41297	100.0
75.78725	69.8
186.15338	68.4
263.04620	73.5
350.14093	98.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26784	1.1
58.02960	2.6
59.01379	12.8
60.37717	1.3
61.57902	1.1
61.98819	10.0
69.62626	2.7
70.02955	2.2
71.01371	3.2
72.00897	4.7
73.02924	1.4
80.91660	3.8
83.01374	2.5
83.80957	1.0
84.98334	1.1
85.02937	2.1
89.02440	1.2
91.05537	1.5
95.02493	4.6
96.00912	100.0
97.01204	1.7
97.04060	1.4
98.02470	30.6
99.00900	1.1
99.05635	20.2
101.02428	3.9
109.01692	16.5
109.02903	1.2
113.02451	1.2
113.03570	9.5
118.06628	27.5
119.06944	1.2
136.04022	2.3
137.84689	1.0
141.03033	1.7
141.06702	14.7
147.04497	21.5
147.05936	6.3
164.05832	2.4
164.07164	44.5
165.02061	1.3
167.02452	1.5
184.04353	13.4
189.07022	62.2
195.06561	1.4
197.07063	2.0
199.08728	4.6
207.29109	1.1
217.09879	5.6
227.04846	2.7
244.06076	13.8
247.05116	1.1
261.08771	17.5
263.14966	3.8
286.05484	2.8
286.08667	56.0
287.08942	1.4
391.23553	3.8
409.20798	6.7
434.13931	5.9
451.16501	47.5
452.17026	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04802	0.6
69.50802	0.6
69.52569	1.3
69.52950	1.1
71.01379	11.3
77.36325	0.6
84.93877	5.8
98.95463	1.1
99.00877	0.6
99.92587	31.0
100.93364	70.3
101.93360	2.7
110.95431	1.0
115.92080	86.0
116.92183	3.8
116.92860	100.0
117.92862	3.7
117.93647	1.2
126.94930	3.9
128.96509	1.1
132.92300	0.8
144.95999	1.8
154.94423	16.4
156.96007	1.3
172.95470	84.3
173.95528	3.6
186.93446	0.6
255.23332	5.5
277.21680	2.5
377.14261	2.3
393.13681	0.8
415.78564	0.8
433.16632	4.0
434.17258	0.7
447.14334	0.7
451.17953	11.4
451.24515	0.6
452.17972	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95927	1.4
99.00842	0.9
99.92606	7.6
100.93367	44.9
101.93406	1.3
115.92083	100.0
116.92094	3.5
116.92873	8.5
132.92429	1.1
172.95473	5.2
233.83464	0.8
252.35944	0.7
255.23288	6.8
277.21609	0.7
313.33841	0.8
338.50604	0.9
377.14246	0.9
451.17941	3.4
451.24338	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	11.6
61.98838	3.5
70.60136	1.0
71.01383	3.7
71.05041	0.5
73.02953	1.5
82.95405	0.5
83.06137	1.0
85.02937	0.8
89.02451	2.3
93.03494	0.9
96.96014	1.9
99.92588	0.6
101.02458	2.0
116.92886	0.5
117.03474	16.8
118.03833	0.5
119.05033	100.0
120.05364	2.2
130.49854	0.6
141.00497	1.0
141.10352	2.0
142.08730	3.0
145.02962	98.3
146.03320	3.4
150.55360	0.6
157.62340	0.5
161.04570	1.0
185.09325	6.7
194.53641	0.5
216.10332	3.6
233.12985	3.8
259.10880	17.4
260.11002	0.8
287.13934	0.8
305.15070	28.0
306.15414	1.9
331.13202	2.8
331.16824	0.8
335.13580	1.0
349.18723	0.9
379.16641	12.8
380.16861	0.9
428.90656	0.5
451.18710	17.2
452.19205	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	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	22.9
59.75227	2.0
61.98828	20.9
66.93552	1.7
70.74514	2.4
71.01385	9.2
77.85710	2.0
83.97197	1.9
85.07880	2.0
89.02442	4.2
96.96057	1.8
98.99391	2.1
99.00854	2.5
99.92571	4.4
101.02432	3.8
108.12622	1.8
113.02441	4.3
116.07085	2.1
116.92854	2.8
117.00460	2.8
117.03485	14.1
119.05033	100.0
141.00528	4.9
141.01627	3.2
142.08687	4.3
145.02957	69.5
145.04100	3.9
153.25482	2.1
161.04474	3.1
185.09317	4.3
216.10297	2.5
233.12953	3.3
259.10895	13.1
261.04739	3.2
305.15091	19.0
305.18228	3.3
331.13126	2.8
331.16620	15.5
332.32901	1.9
340.12491	2.3
379.02524	2.0
379.16608	6.4
391.16269	2.5
451.18329	12.0
451.22549	8.3
452.23352	2.1
458.86404	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	451.2105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01511	6.4
59.01378	100.0
59.24959	6.3
61.98828	38.2
71.01379	20.6
81.43604	5.5
85.32477	6.0
85.42493	5.7
88.04057	18.1
89.02473	10.3
101.02477	13.9
115.00389	7.7
132.03052	9.7
177.97229	7.1
200.46031	6.8
415.87729	6.5
451.20779	21.4
451.25638	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	451.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31966	71.4
61.98823	100.0
67.52896	54.4
78.00732	77.8
86.52963	57.3
108.63226	55.8
109.87418	56.3
130.19118	70.1
139.00279	77.6
142.20467	56.5
180.09203	56.1
228.83847	68.8
244.26863	66.2
244.97501	62.3
269.76303	64.2
330.08154	59.3
391.72528	72.4
429.27905	56.4
451.21417	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.6
61.98835	26.1
78.95916	18.4
98.94302	3.1
108.15413	3.2
120.96930	5.7
127.00153	3.4
152.99605	5.8
177.93965	3.4
187.25113	3.5
195.00615	11.6
255.23282	100.0
256.23645	4.7
301.21753	14.0
369.20270	5.7
383.22049	5.0
451.24734	36.0
474.42505	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	451.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05616	0.1
58.02972	0.2
69.17078	0.1
69.17490	0.3
70.02997	0.1
80.05067	0.2
81.03458	7.8
82.03815	0.1
82.06628	0.7
83.05026	23.0
84.05347	0.4
100.07695	0.2
107.06152	0.9
108.04565	0.7
125.07210	2.6
126.05610	0.5
143.08269	1.4
157.13487	0.2
165.49516	0.1
207.15016	2.9
208.13345	0.3
208.15276	0.1
224.17680	4.0
225.16078	11.9
226.16365	0.5
242.18727	1.4
250.15640	0.3
266.18826	0.1
268.16663	0.2
289.19135	0.1
290.22394	0.3
291.20712	0.1
306.21927	0.1
307.23862	0.2
309.21814	0.5
324.26477	1.6
325.26898	0.1
333.22940	4.0
334.23608	0.1
339.27655	0.3
341.06564	0.2
341.29187	0.2
349.25909	0.1
350.24521	0.1
351.24075	1.3
367.27133	1.2
378.57077	0.1
383.30124	0.1
385.28140	0.2
406.30783	0.1
433.31836	5.7
434.32272	0.6
451.32867	100.0
452.33179	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	452.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57925	3.0
59.01392	4.3
61.98821	15.3
63.38448	2.8
69.62284	6.9
78.95904	80.3
83.05029	8.3
89.74100	3.0
90.88211	3.4
91.05512	13.2
96.96941	5.9
117.03444	16.9
118.89967	9.3
135.04498	9.8
152.99550	15.8
171.00612	12.8
180.64566	3.7
205.12320	29.7
219.13947	4.0
220.14647	8.4
252.13637	6.7
255.23280	39.9
271.20731	7.6
294.17114	5.5
315.19669	28.3
316.16425	3.9
316.20114	6.1
317.21198	13.6
318.20963	4.5
335.22290	8.7
362.19720	100.0
363.20120	6.1
452.21271	4.2
452.27719	53.9
453.26736	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	31.6
61.98816	25.3
67.40760	5.2
69.13005	9.6
69.13412	29.0
71.01380	21.6
73.02936	14.2
78.39880	5.2
83.01403	7.5
85.02982	9.5
91.77691	5.3
96.00908	37.0
96.96005	8.3
98.02476	12.7
99.05656	7.2
99.48909	5.4
99.92552	13.6
100.93331	12.9
101.02449	27.6
109.01656	8.2
113.02422	9.6
115.92075	25.6
116.92860	9.2
126.67039	5.7
135.04524	8.6
161.04564	12.6
164.07167	13.4
165.07518	7.6
170.67766	6.7
184.04485	5.6
189.07068	18.3
190.07207	6.7
263.15027	52.8
274.59903	6.1
286.08618	6.0
287.09021	13.7
409.20816	100.0
418.44025	7.3
452.10760	10.8
452.17020	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	452.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25047	2.0
57.99155	2.0
59.01381	34.4
59.32101	2.2
61.98830	55.7
69.57913	9.2
71.01374	20.4
73.02960	11.4
78.95905	2.4
83.01381	3.6
85.02958	7.4
87.00904	2.2
89.02442	10.1
95.01396	2.4
99.00861	2.8
101.02457	24.5
104.30696	2.1
109.01664	10.4
113.02459	8.5
123.67487	2.1
131.03511	8.3
135.04529	5.3
141.06779	3.3
151.00365	3.5
152.08459	2.2
153.00877	2.7
153.09235	4.1
161.04562	8.3
171.76170	2.0
189.07022	6.4
200.25555	2.2
207.42111	2.0
211.81046	2.1
213.74980	2.0
231.13982	2.4
233.06744	2.8
244.06111	7.4
249.14890	3.8
277.16483	19.3
304.64536	2.2
409.20776	100.0
410.21176	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	452.2655
Annotation	N-Deethyldelphatine
Peak:m/z	Relative Intensity
57.03439	0.6
59.01387	2.2
60.81393	0.3
61.98808	1.6
69.03487	0.4
69.30233	1.3
70.02972	0.4
71.01385	8.4
88.04042	85.5
89.04386	0.8
103.66807	0.3
111.33521	0.3
114.01981	2.1
114.99556	0.8
115.00376	16.2
120.90521	0.3
132.03032	44.3
133.03384	0.7
191.14531	0.4
205.20845	0.4
275.23779	0.5
277.21768	1.6
286.90054	0.4
293.24860	1.3
306.57999	0.3
318.24371	1.2
336.25381	2.0
337.23798	9.2
338.24155	0.6
346.27420	0.9
390.26654	1.6
408.27539	3.9
452.26532	100.0
453.26846	9.3
464.62134	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11095	1.5
52.67552	1.5
59.01378	3.9
59.37783	1.6
61.92694	1.6
61.98834	9.9
71.01376	5.7
88.04041	75.0
96.23974	1.5
101.91920	1.8
114.02018	1.9
115.00391	11.1
132.03032	35.9
222.74562	1.6
277.25107	1.7
283.11771	1.7
337.23792	5.1
348.17184	1.7
390.26550	1.9
408.27710	2.8
452.26559	100.0
453.26868	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	452.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.4
61.98820	0.8
63.03467	0.3
67.73924	0.3
69.75887	1.2
78.95902	9.4
96.96957	0.5
98.21879	0.4
98.66336	0.3
140.01216	1.7
148.71043	0.3
152.99565	1.2
171.00661	0.8
196.03822	1.0
214.04814	2.1
255.23282	100.0
256.23605	5.8
260.28461	0.3
283.01047	0.3
393.19559	0.4
452.27802	13.5
453.28088	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95906	17.7
86.63098	0.5
91.42466	0.6
91.96867	0.6
101.74350	0.5
110.93137	0.6
122.00140	1.0
137.22537	0.6
140.01198	5.3
152.99579	1.1
196.03809	8.9
196.64267	0.5
202.84366	0.6
214.04871	2.1
220.83141	0.5
255.23293	100.0
256.23657	6.1
311.05176	0.6
413.81772	0.6
452.27823	32.0
453.27966	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	452.278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	0.6
70.56753	0.4
78.95905	5.0
107.83356	0.4
113.40323	0.4
137.15741	0.5
152.99614	1.0
160.84203	1.4
168.04427	0.9
224.06865	0.7
227.20166	100.0
228.20509	4.5
242.08005	2.2
278.59909	0.6
372.53214	0.5
452.27872	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	453.117
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68282	32.0
59.13948	34.0
59.69231	36.1
69.81844	87.1
69.82194	74.3
73.29911	32.9
73.83885	31.0
84.76101	37.4
107.70013	38.0
114.81178	39.8
122.59208	40.0
126.32571	55.3
159.33713	41.5
292.40622	43.1
309.93307	41.1
317.32574	47.9
317.78912	36.7
346.41071	48.3
347.79004	40.4
351.28159	44.4
399.85367	36.3
453.11661	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	453.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98826	4.9
66.30170	4.0
69.71262	15.1
71.01395	22.5
73.02942	13.8
84.95131	3.9
85.02923	5.1
89.02428	12.1
98.21778	3.7
101.02444	13.5
113.02458	8.1
119.03522	5.0
161.04555	5.2
189.76564	4.0
218.96980	4.0
331.17477	8.0
373.18597	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	453.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85291	1.5
59.01370	5.3
61.98809	4.7
69.03452	2.1
69.22971	5.3
69.23383	3.2
70.02967	1.6
71.01389	1.9
82.02973	4.3
95.61364	1.6
98.02465	2.1
110.01778	2.0
110.02481	24.3
119.05030	7.5
134.03746	67.3
135.04491	6.5
149.06079	50.6
150.06258	1.6
160.01595	2.3
161.04578	1.6
175.03955	2.1
176.03546	28.9
177.04315	70.9
178.04968	5.2
179.57259	1.4
189.04311	2.2
192.06662	100.0
193.06921	3.7
204.06686	5.4
211.14116	1.8
260.09268	36.8
275.10056	1.8
290.28467	1.5
303.09787	6.8
357.07501	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	453.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21047	0.5
69.51178	1.9
71.01380	9.5
80.75658	0.6
84.93866	4.1
98.95461	0.6
99.00870	1.2
99.92585	30.2
100.93362	55.3
101.93391	1.8
115.92078	90.6
116.06232	0.5
116.92175	3.7
116.92859	92.6
117.92916	3.3
124.77615	0.5
126.94948	2.2
132.92380	1.2
136.13196	0.5
142.94380	0.7
144.95988	1.8
154.94417	12.7
155.94357	0.6
172.95468	100.0
173.95468	3.8
186.93430	0.6
201.18658	0.5
204.32857	0.5
279.23276	4.2
363.16113	0.8
379.15707	2.3
380.16122	0.9
395.15451	2.2
435.18155	2.9
436.18765	0.9
449.17035	0.7
453.19522	18.5
454.19836	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99430	0.4
61.98840	0.5
70.52711	1.0
79.84154	0.5
99.00861	1.0
99.92584	6.2
100.93368	43.5
101.93396	1.4
115.92081	100.0
116.92082	3.0
116.92870	7.4
117.92679	0.6
117.93635	0.5
132.92296	0.6
142.94405	0.5
172.95476	10.1
221.94960	0.5
279.23291	0.5
300.37515	0.5
379.15881	0.8
405.17432	2.0
435.18436	2.0
453.19482	7.7
454.19821	0.6
476.53839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46213	1.8
59.01381	100.0
61.90921	2.0
61.98832	3.4
63.37864	1.9
69.93036	5.3
71.01385	55.1
72.99311	3.3
73.02954	9.6
76.13348	1.8
83.01424	1.9
85.02948	6.6
87.00870	4.7
89.02448	87.7
90.98607	2.0
96.00798	2.1
96.96023	15.7
97.05600	1.8
98.02480	3.8
100.16905	1.9
101.02453	41.9
113.02464	13.2
114.93452	4.3
119.03520	8.8
131.03520	39.2
135.04572	2.6
149.04552	87.5
179.05693	2.1
191.05609	22.9
197.06093	47.6
198.06474	1.8
254.12743	23.7
255.13322	3.4
367.07108	6.5
393.17673	62.4
393.28665	2.2
394.18253	4.8
453.20627	6.1
465.16995	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	453.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00608	1.8
59.01379	100.0
71.01382	24.2
71.46462	1.7
72.77209	1.6
73.02950	18.9
80.62883	1.4
83.01385	2.8
85.02937	7.3
87.00880	7.4
87.04515	2.8
89.02445	32.8
91.05495	1.4
97.39211	1.4
101.02438	42.0
103.04004	13.6
103.04580	1.7
113.02458	4.7
115.04021	6.4
119.03499	13.9
125.02424	4.1
129.27875	1.4
131.03560	7.7
134.03729	6.5
143.03496	10.8
145.05066	5.5
149.06073	4.4
163.06123	60.9
179.05589	5.7
205.07175	17.5
209.72623	1.6
225.83252	1.4
239.03670	2.3
240.04285	1.9
247.11885	3.5
263.43192	1.4
265.09244	7.4
292.11823	9.4
311.05490	1.7
329.11426	12.2
360.36768	1.5
393.17642	44.5
394.17603	2.5
453.16629	21.2
453.23398	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	453.2032
Annotation	(-)-10-Methoxyvincamedine N-oxide
Peak:m/z	Relative Intensity
53.08140	0.9
59.01383	2.1
61.98817	1.2
69.03458	18.9
69.14339	5.6
72.31494	1.0
97.02956	3.6
99.00880	3.7
110.16232	1.0
116.91690	0.9
117.21311	1.0
121.03009	1.2
133.02965	5.3
134.03745	100.0
135.04535	45.5
136.04895	1.8
137.17543	1.0
141.01945	2.0
147.04590	2.4
148.05307	2.4
149.06084	58.6
150.06514	1.3
156.39810	1.0
160.01689	3.2
161.02400	2.5
161.06093	3.2
175.02705	2.2
175.04028	3.4
176.03456	2.4
185.00914	12.7
190.05028	2.6
204.06638	5.0
238.40930	1.0
245.10753	1.3
261.12463	10.0
262.13129	3.6
277.15619	1.4
287.10382	7.3
288.11163	21.2
289.11798	2.2
303.13510	62.8
304.13959	2.7
437.17023	1.8
438.17929	1.7
453.20340	58.5
454.20700	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	453.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11375	5.0
53.14815	4.5
59.01384	100.0
61.98841	33.8
69.03458	6.0
70.84081	7.9
71.01377	22.3
73.02964	28.6
81.85658	4.5
83.01379	12.1
85.02951	10.2
87.04476	6.0
89.02433	7.7
90.81632	4.6
92.32207	4.3
94.98135	5.4
101.02457	27.5
102.05658	7.2
113.02451	12.3
114.86170	5.4
118.50928	5.1
119.05019	7.8
128.03587	12.3
146.08131	6.5
150.05537	6.1
152.10210	5.2
160.01643	7.4
175.04008	11.0
183.22902	4.7
187.14874	9.1
230.52565	4.6
231.13882	83.9
263.08191	7.7
277.12317	6.2
323.10413	11.7
355.12915	23.9
385.13962	42.6
453.22238	19.3
454.24350	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	453.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27600	1.1
59.01379	10.6
61.98824	5.9
69.03440	1.4
70.02970	1.6
71.01345	1.2
73.02941	1.6
82.02988	6.5
82.95419	1.8
85.02950	2.6
89.34837	1.0
98.02454	3.6
107.55357	1.1
110.02477	30.5
119.05012	4.1
127.05133	1.0
128.03517	1.3
133.02957	1.4
134.03741	73.8
135.04594	7.6
149.04868	2.6
149.06087	51.1
150.06419	1.7
153.03023	1.3
160.01622	1.6
162.03444	1.5
175.03993	3.1
176.03528	31.3
177.04305	70.3
178.04932	3.6
189.04288	4.4
192.06656	100.0
193.06964	2.9
200.37639	1.1
204.06674	5.2
208.08612	1.3
245.06941	1.3
246.07819	1.7
248.09415	1.5
259.10800	1.9
260.09250	38.1
261.09674	2.5
303.09839	5.0
316.87833	1.2
453.22223	3.6
454.24283	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54642	6.8
56.43364	6.8
61.98812	8.6
69.23347	16.5
69.23758	22.4
71.01367	7.9
72.80476	6.0
74.59197	6.5
78.95908	16.3
83.32535	6.3
99.92566	10.1
105.45325	7.0
160.05641	7.3
166.56520	6.5
254.25635	8.6
255.23289	100.0
256.23645	19.3
257.24020	9.5
394.60846	7.5
439.78085	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	453.2623
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23228	7.6
59.01366	32.2
61.30280	10.2
66.11078	8.3
69.07469	8.6
103.01478	40.0
122.89439	12.0
125.87328	96.3
126.87355	11.3
127.87041	100.0
157.86330	28.4
159.86035	37.4
182.42226	8.2
216.00090	12.1
245.00365	40.1
245.82314	10.1
260.99814	14.2
279.97153	8.8
280.97729	13.0
281.97015	26.5
307.34128	9.1
380.67609	8.5
417.10822	25.1
453.26495	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32921	3.4
59.01378	8.1
61.98819	5.9
63.54021	2.5
68.98058	2.5
69.31452	6.5
69.31852	12.0
71.01403	13.0
78.95908	3.1
89.02448	6.3
98.22663	3.5
101.02454	3.2
152.98288	4.0
212.00282	3.0
233.65781	3.3
255.23303	100.0
256.23682	7.4
259.63409	2.9
269.24832	5.0
279.23279	5.2
297.24402	9.4
347.81824	3.4
371.20401	5.2
393.45389	3.2
404.34833	3.1
453.22647	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14122	23.5
61.98822	48.4
69.44914	100.0
73.76244	24.3
74.02572	25.6
80.85177	22.4
98.21908	58.3
101.37895	26.5
103.01510	35.5
125.87352	63.8
127.87035	74.0
153.01909	23.3
209.71208	24.3
224.52519	23.7
224.92474	27.1
234.70509	29.6
318.63354	27.4
462.42700	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	453.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	4.6
61.98819	8.6
71.46224	2.0
78.95917	8.7
91.05527	100.0
92.05869	3.0
117.03457	80.4
118.03783	3.1
132.78178	1.9
135.04521	85.6
136.04829	2.4
138.02518	2.1
188.16953	2.1
213.16605	2.4
229.93486	2.1
255.23375	10.2
256.23642	30.5
261.22232	14.4
273.22284	7.4
291.23389	4.8
317.21191	61.6
318.21426	3.9
335.22223	62.1
336.22531	5.2
349.89471	2.6
409.60550	2.4
421.25287	2.2
453.26599	55.6
454.27237	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	454.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	25.6
61.98832	100.0
70.88091	2.1
71.01393	5.2
73.02953	22.3
75.00899	1.4
83.01373	3.5
85.02933	2.3
88.04032	2.0
94.20084	1.6
101.02435	12.5
128.03539	2.9
143.03485	1.8
143.10796	19.6
144.15385	1.9
155.03590	1.6
157.12437	3.9
161.04601	2.4
173.45045	1.6
185.11823	1.8
189.77068	1.8
195.57011	1.5
203.05656	3.2
317.52850	1.8
454.26599	2.9
455.23782	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	454.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	57.2
71.01382	17.4
73.02944	32.5
80.30672	7.1
83.01424	6.4
89.02469	9.9
89.63079	5.1
101.02473	20.8
102.05616	22.8
113.02469	10.9
113.06733	7.4
119.03495	8.8
119.04999	9.5
128.03522	40.8
129.05585	7.5
141.38838	5.9
161.04520	7.2
214.42088	6.2
381.60648	6.8
454.24387	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11515	6.6
53.26673	6.5
55.86521	8.1
56.21785	8.0
59.01383	100.0
61.98825	45.7
69.68538	23.1
73.02919	7.3
76.89256	7.3
80.14851	8.0
91.28928	6.8
102.05640	24.7
128.03554	27.0
134.03749	99.7
135.04100	25.2
135.04411	24.3
136.04817	10.7
149.06075	66.3
150.06429	30.9
262.12891	12.5
288.11035	9.9
289.11600	26.3
303.13486	30.4
304.13797	45.7
325.20352	12.3
454.20334	41.8
454.25381	18.1
455.23715	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	454.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08539	19.4
59.01382	100.0
64.69209	20.1
73.02953	23.7
83.01400	19.4
83.30893	21.8
95.93611	19.5
101.02429	60.0
159.01889	22.6
279.91953	20.0
472.66489	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	454.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20924	8.8
59.01379	100.0
61.98826	36.5
69.30511	18.9
69.30928	28.6
69.37732	11.5
70.39050	8.0
71.01379	10.5
76.96733	9.1
81.64277	9.0
92.15641	8.9
98.22646	13.5
104.13326	9.4
119.21738	9.2
121.67372	9.9
127.87074	51.7
128.03531	25.0
137.52342	8.8
144.87289	60.3
146.04576	11.1
159.85974	10.8
174.92561	21.3
176.92242	20.7
177.53683	9.4
185.07982	9.0
186.91978	9.7
230.89078	9.1
235.16953	10.8
262.99551	9.2
279.00769	13.4
281.00629	12.3
318.03235	11.3
325.23727	12.7
408.66049	10.0
418.10876	11.2
454.22632	10.8
454.28455	44.7
455.22723	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	77.1
60.16920	12.5
61.98819	47.8
64.35727	11.0
69.66194	13.9
69.66540	40.2
71.01378	15.3
101.02437	16.9
134.03752	100.0
135.04570	20.0
148.05272	15.5
149.06087	91.6
172.30595	12.6
177.77719	11.5
210.76195	12.4
305.11386	28.4
335.36478	14.8
379.38092	15.3
454.22690	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30354	0.7
56.78728	0.7
57.03436	2.7
58.02957	0.8
59.01379	7.4
61.98826	5.9
69.12623	4.5
71.01371	1.5
71.05022	8.1
74.02478	1.8
77.49863	0.7
83.05034	2.1
84.04552	3.0
97.06529	0.8
98.22647	1.1
100.07655	1.2
101.02468	1.1
102.05607	47.1
106.19941	0.8
111.04489	5.5
111.08200	1.2
119.08694	2.1
128.03537	80.5
129.03947	0.9
129.05580	16.8
133.10229	5.2
141.61018	0.7
146.04597	12.1
155.07144	11.1
159.11783	4.9
186.50858	0.7
214.10860	5.6
240.12450	2.1
306.93280	0.7
307.19080	1.1
325.20187	15.5
410.25372	1.8
436.23401	5.4
443.08319	0.8
454.24469	100.0
455.24854	9.4
457.98367	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.5
59.01373	15.2
61.19686	1.2
61.98833	16.3
71.01364	2.5
74.02479	1.7
74.94233	1.1
76.32706	1.2
83.05022	2.6
84.04584	2.2
93.07110	1.3
101.02438	2.7
102.05609	34.1
104.17894	1.3
111.04505	2.9
119.08650	2.7
128.03540	68.5
129.05571	13.0
133.10242	14.0
142.92134	1.3
146.04599	12.1
155.07141	11.4
159.11801	16.4
173.08136	1.6
214.10889	5.0
220.09079	1.3
240.12318	1.3
289.18280	1.6
307.19165	2.6
325.20276	11.3
326.20502	1.3
410.25665	1.4
436.23398	7.4
437.23334	1.5
454.24448	100.0
455.24835	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	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
61.98828	100.0
64.78928	0.8
84.37251	0.9
96.96040	3.8
99.92574	2.9
115.92044	1.3
116.92905	2.0
117.02013	0.8
117.92884	0.9
118.89971	4.0
162.16122	0.8
310.72009	0.7
423.00687	0.8
454.12286	5.6
455.18042	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
61.98830	100.0
69.49265	1.0
69.49656	0.5
96.96027	0.4
97.45073	0.3
99.84187	0.3
99.92600	0.5
118.90008	0.3
123.04553	0.7
131.80481	0.3
140.34836	0.4
151.48268	0.3
433.49057	0.3
454.10883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11915	0.5
54.94557	0.6
55.78503	0.5
59.01381	1.5
61.98810	0.6
67.54836	0.6
70.36779	1.2
78.95905	83.6
80.34077	0.7
87.00629	0.6
96.96964	100.0
103.89690	0.7
119.86757	0.7
138.97992	3.7
139.42789	0.7
184.08873	1.3
198.06709	1.8
199.00131	13.1
211.07701	1.8
212.08313	4.9
213.01715	10.9
241.07356	4.2
243.39810	0.7
255.08936	6.5
268.33914	0.6
307.18842	0.7
343.46500	0.6
393.78763	0.6
455.09732	32.8
456.10141	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48495	2.3
56.97030	2.2
59.01368	6.4
69.19273	14.9
78.95907	79.0
79.62694	2.7
96.96963	100.0
128.03546	3.2
138.98036	3.1
143.94440	2.8
147.04497	9.5
199.00105	16.1
212.08270	4.3
213.01709	7.7
231.69460	2.3
241.07216	5.8
241.99724	3.0
255.08894	6.3
308.10046	2.6
455.09839	30.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59488	0.4
59.01379	2.2
61.98830	0.7
63.51487	0.4
67.40070	0.4
70.44794	0.4
70.45166	0.9
71.01374	0.5
73.02949	0.4
74.40524	0.4
76.68258	0.4
79.37531	0.4
119.05078	0.5
133.03032	0.8
134.03745	100.0
135.04556	17.2
147.04596	2.5
148.05318	8.9
149.06082	84.6
150.06416	1.8
155.04642	0.6
161.02490	0.5
161.04535	0.4
162.06882	1.0
173.06100	0.9
175.02637	0.5
175.04007	0.9
176.03539	1.0
177.04337	1.0
178.03709	0.7
178.05058	3.4
189.04280	0.5
190.05093	3.3
192.06630	1.2
204.06645	1.3
245.09302	0.9
246.07777	0.6
246.10129	5.1
247.08414	2.5
261.12439	11.9
262.10852	1.5
263.10413	0.8
279.13464	0.5
289.08359	1.1
290.09161	1.3
305.11429	32.3
306.11679	2.1
319.50931	0.4
387.37656	0.5
455.18250	11.9
456.18655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34387	1.1
57.98891	1.2
69.29527	1.2
71.01381	11.7
76.90582	1.3
77.22792	1.1
84.93887	2.9
91.19357	1.2
94.94731	1.3
99.92579	27.3
100.93364	39.8
115.92078	98.6
116.92148	4.1
116.92858	91.4
117.92906	2.8
125.87349	6.6
126.88094	2.5
126.94925	2.6
127.87047	4.9
128.87808	3.7
144.95999	1.3
154.94402	10.4
157.86298	1.5
159.85973	1.6
172.95471	100.0
173.95541	4.2
174.38931	1.1
179.14896	1.3
184.13583	1.2
271.65170	1.2
273.44339	1.2
281.24902	4.6
355.19525	1.5
373.54919	1.4
381.10425	2.0
381.17126	1.3
382.10873	12.3
383.10391	11.1
397.16577	2.2
415.90833	1.4
448.13611	1.4
455.14548	2.3
455.20947	22.9
455.27286	2.3
456.13208	3.9
456.21677	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28674	0.7
55.01875	3.3
56.55622	0.8
57.03440	2.3
58.00608	0.8
59.01380	65.3
60.48885	0.8
67.90117	0.8
70.94904	1.2
71.01383	31.4
72.99311	1.4
73.02946	17.4
83.01387	11.3
85.02953	17.5
87.00865	1.6
87.08113	0.9
89.02447	3.5
91.10268	0.9
95.01412	1.0
97.02954	1.3
99.00890	5.3
101.02446	46.6
102.85524	0.9
103.04023	1.5
111.00873	1.2
113.02454	14.6
118.99194	0.9
119.03464	1.3
125.02435	1.9
143.03552	1.6
159.02994	2.5
161.04573	12.2
174.59494	0.8
229.07202	1.0
249.13435	67.3
250.13741	2.8
395.19193	100.0
396.19504	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	455.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	1.9
57.03447	2.1
59.01379	47.3
61.98832	3.9
68.19121	0.7
69.00351	0.6
69.03461	0.7
71.01384	25.8
72.99293	1.2
73.02945	9.2
75.39547	0.6
81.61844	0.6
82.40190	0.7
83.01383	6.2
85.02944	12.0
87.00874	1.6
89.01929	1.2
89.02442	13.8
95.01407	1.4
97.02945	1.2
99.00875	3.4
101.02442	27.7
109.02941	0.6
111.00875	3.0
112.98809	0.8
113.02448	10.0
115.04076	0.7
119.03519	2.0
125.02454	2.0
129.01929	0.8
131.03508	10.3
133.02937	1.2
138.25757	0.7
141.01819	0.9
143.03500	2.0
147.04587	0.7
149.04593	3.1
159.03012	1.2
161.04564	6.9
163.00464	0.7
203.03473	1.1
233.06573	1.8
258.20728	1.1
263.14969	29.3
264.15295	0.9
277.03659	0.7
395.19186	100.0
396.19476	5.6
437.20773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	29.7
59.10842	1.7
61.98830	23.1
71.01386	13.8
78.11388	1.5
80.80042	1.5
85.02943	3.7
89.02458	16.4
91.77103	1.3
95.28519	1.3
98.44807	1.4
101.02451	4.4
113.02448	5.6
119.03518	4.6
133.43178	1.5
179.05647	3.7
249.18607	40.1
250.18814	4.2
275.16519	25.0
293.17590	100.0
294.17892	6.5
311.18643	9.0
335.18585	6.2
455.22711	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	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06469	0.3
78.95477	0.5
78.95902	6.0
83.89140	0.3
96.96946	0.6
105.09833	0.3
152.99594	14.1
171.00595	1.2
209.19109	0.3
227.03285	2.9
227.20168	100.0
228.20486	5.5
245.04355	1.1
299.90063	0.3
326.59711	0.4
359.19852	0.3
363.92245	0.3
372.88550	0.3
455.24167	29.1
456.24588	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	455.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67995	0.3
53.14836	0.4
54.84993	0.3
69.46967	1.3
75.18676	0.3
78.95904	6.7
87.00863	0.4
96.96967	0.5
98.22675	0.4
111.99722	0.3
152.99593	14.9
171.00627	1.3
227.03287	3.3
227.20164	100.0
228.20480	4.5
245.04286	1.1
263.09424	0.3
306.74530	0.3
395.69543	0.4
455.24155	26.6
456.24408	2.2
464.71570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42241	4.1
69.23885	27.7
78.95905	37.0
80.96315	10.1
101.06068	7.1
112.03734	4.2
140.01164	7.1
142.01617	4.5
146.02545	4.2
198.04184	6.6
255.23306	30.4
256.23633	100.0
257.23950	66.7
258.24207	70.0
282.91498	5.2
386.46600	4.9
455.28668	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46948	10.3
61.54590	10.3
71.42467	15.5
78.95896	57.8
80.59670	11.7
89.79839	8.8
101.06060	23.8
117.47851	11.4
135.20572	10.0
152.99620	29.6
160.84212	72.0
162.83942	100.0
169.39201	11.5
220.91632	9.8
293.21155	16.0
317.20816	18.9
418.49893	12.0
419.28156	21.6
455.05817	26.0
455.27475	17.7
456.05048	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.257
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	82.5
69.52864	69.1
78.78877	20.8
78.95895	100.0
97.73434	22.5
105.18513	21.3
135.75046	21.6
152.99580	64.3
160.84158	22.1
264.48880	22.4
288.50592	21.3
455.27493	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22046	24.2
65.29075	20.8
65.46970	23.6
69.38950	100.0
76.25645	21.8
113.71272	22.5
129.13832	23.2
160.16383	24.4
161.31717	21.7
211.81654	26.4
290.65158	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3165
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
57.92333	6.1
69.32507	27.2
69.53974	5.6
84.14360	7.4
92.92798	5.8
97.28580	6.1
109.06577	22.6
158.38870	5.7
242.58971	6.2
281.21790	7.4
353.28391	8.0
355.29904	19.3
395.29501	37.1
411.32611	100.0
412.33112	11.6
455.31656	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3527
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
52.38388	0.3
61.98837	1.5
64.10789	0.3
66.02940	0.3
69.48306	0.9
69.48674	0.6
79.52240	0.3
96.95975	0.3
99.41324	0.3
110.00244	0.3
162.83893	0.4
184.63873	0.3
231.62849	0.3
255.23260	0.8
267.41412	0.3
280.66342	0.3
310.67834	0.3
418.04095	0.4
455.35291	100.0
456.35651	10.2
474.69699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42218	15.5
53.74959	15.5
59.01372	100.0
61.98841	16.9
62.23093	17.4
66.07438	21.6
69.65247	57.9
71.01398	17.6
87.50181	19.8
87.77636	15.8
101.02426	31.1
125.57585	15.7
134.03731	99.2
135.04056	41.1
144.67145	16.4
149.06090	93.9
150.06445	39.3
156.43530	16.1
203.93974	17.6
305.11292	29.6
306.11700	30.6
410.51791	20.0
483.24420	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	456.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19573	4.0
58.44283	4.5
59.01382	100.0
61.98832	58.8
64.01514	3.6
71.01397	11.2
78.28027	3.5
84.95114	9.9
87.00895	10.5
89.02444	13.2
92.68668	3.9
96.96010	4.3
100.12135	4.3
101.02452	11.4
113.02447	7.6
128.03532	5.9
146.08272	5.6
149.06088	5.3
218.69170	4.5
228.13795	3.6
304.29083	5.0
456.25906	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	456.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	63.3
61.98824	100.0
62.09425	12.6
69.05180	12.7
82.11495	13.3
93.88892	13.9
97.87632	12.6
102.05636	23.5
121.70335	12.8
128.03543	30.0
175.10126	16.5
217.00343	22.8
230.41867	15.1
327.21658	15.6
456.25970	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	76.5
61.98832	100.0
63.63400	3.0
69.63543	10.9
71.01381	9.6
73.02950	5.7
85.02950	4.4
89.02450	7.9
101.02467	6.2
101.70975	2.9
102.05601	38.5
113.02416	5.6
116.92854	3.7
128.03539	48.8
129.05609	2.8
146.04593	10.0
164.39661	2.8
171.10356	3.7
201.11295	6.5
217.00314	3.7
271.92230	3.8
327.21683	17.9
438.24774	5.0
456.18668	5.3
456.25931	71.0
457.26587	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	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
61.98820	68.2
69.77824	29.9
69.78201	34.7
74.01001	17.9
80.86895	15.2
83.76232	16.5
128.03520	19.9
164.04375	18.3
169.37633	16.6
177.83058	19.3
215.77977	18.3
217.00343	34.2
295.19156	38.7
316.14627	16.0
358.23636	18.1
456.25867	30.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.09610	2.8
61.98844	21.2
69.69404	3.0
69.69728	7.5
71.01382	7.9
73.02950	9.6
83.05040	3.3
85.02969	7.0
89.02444	3.9
89.23242	2.8
98.22612	6.1
101.02406	5.1
102.05592	17.7
113.02436	7.6
116.92821	3.5
128.03549	19.5
130.87987	2.6
138.01622	3.0
146.04515	4.1
150.46985	2.8
156.68079	2.8
198.98303	2.7
201.11311	3.3
250.43517	3.3
309.20987	3.2
327.21667	6.0
370.23462	3.6
456.26138	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.7
59.01382	2.9
61.98819	2.0
63.40998	0.6
69.35609	0.6
69.86219	1.6
72.59888	0.6
74.02469	1.1
83.05054	0.7
84.04560	4.3
97.06607	0.7
98.22601	1.0
102.05605	30.5
103.92027	0.8
109.22717	0.6
112.98811	1.9
125.09702	0.6
128.03542	58.3
129.03873	1.2
129.86731	1.0
133.02959	2.4
146.04601	8.9
169.12383	1.2
177.01886	1.2
177.16501	0.9
179.03487	1.1
181.19702	0.5
217.00305	1.4
247.18306	1.2
247.20665	13.9
247.23013	1.2
248.21080	1.0
265.21878	0.7
273.18555	2.2
291.19690	11.6
309.20715	11.9
310.21109	0.9
320.03131	1.1
321.75824	0.6
327.21753	31.9
328.22070	2.0
350.27045	1.3
412.27011	3.7
438.24890	4.6
456.26022	100.0
457.20905	0.8
457.26501	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	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	6.1
61.12792	1.1
68.99802	1.7
70.97493	2.0
72.99315	3.8
73.57092	1.2
84.99317	3.0
87.00877	13.4
96.99361	1.5
103.00384	4.2
105.08793	1.1
107.05106	1.9
109.02985	6.7
111.00909	2.5
112.98807	29.2
117.03477	3.4
119.05025	51.7
120.05439	1.7
121.02968	2.4
123.04510	1.4
127.00369	1.7
130.99881	3.4
131.05034	1.4
133.02954	6.5
134.03740	4.7
135.04524	71.1
136.04767	2.6
137.02458	3.2
139.00339	6.7
145.02960	11.5
147.04533	9.1
149.00911	8.7
149.02373	1.3
151.69516	1.3
161.02438	16.3
161.06091	2.4
163.04002	100.0
164.04369	3.5
171.04652	1.2
173.02460	1.7
175.03983	7.0
177.05583	2.8
179.03497	44.0
180.03868	1.5
182.90753	1.2
189.05421	1.4
191.03508	7.0
203.03510	21.1
205.05031	2.2
213.96648	1.1
215.03479	4.6
219.03000	28.5
220.03291	1.6
231.03053	4.1
233.04591	1.8
259.02551	2.2
275.02014	2.1
277.03516	21.9
293.03055	22.7
295.04581	29.6
336.74109	1.4
385.17523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98448	0.9
52.39596	1.3
59.01377	7.4
62.58890	1.2
65.86040	1.1
68.99822	2.5
70.54267	1.9
72.99302	5.3
84.99302	2.2
87.00885	17.1
98.22516	1.1
101.75763	1.3
103.00378	3.4
109.02931	6.8
111.00871	2.5
112.98811	26.7
117.03477	4.7
119.05025	55.7
120.05383	1.9
121.02973	1.7
123.04469	1.6
127.00417	1.7
130.99858	4.3
133.02945	8.4
134.03737	5.2
135.04530	79.2
136.04843	1.7
137.02419	2.5
139.00352	5.6
145.02965	12.5
147.04510	9.5
149.00919	10.7
149.06136	1.4
151.04015	1.7
159.04520	3.1
161.02455	18.7
161.06058	2.9
163.04012	100.0
164.04315	2.3
175.03951	6.6
177.05568	2.7
179.03510	40.7
179.05099	2.1
187.03983	2.6
191.03462	8.0
203.01811	0.9
203.03490	25.4
205.05098	1.9
215.03487	3.5
219.02968	27.8
219.04953	2.4
220.03389	1.6
221.34962	1.2
231.03026	3.2
233.04605	1.4
252.38506	1.1
275.01862	1.4
277.03525	18.2
280.42111	1.2
293.03030	21.8
295.04590	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33508	1.4
59.01368	5.6
64.56406	1.3
66.70554	1.3
68.99783	3.1
72.99306	4.7
84.99306	2.5
87.00866	16.4
89.91167	1.3
103.00365	4.0
109.02950	7.7
111.00898	1.8
112.98809	30.0
117.03473	2.1
119.05022	51.5
120.05350	4.0
121.02985	1.7
127.00330	2.1
130.99875	2.7
133.02969	6.3
134.03716	5.8
135.04523	71.7
137.02461	4.0
137.33833	1.4
139.00427	7.5
139.01259	1.4
145.02966	15.0
146.29634	1.4
147.04543	9.8
149.00916	7.0
149.06047	2.7
152.53610	1.9
161.02435	16.8
161.06049	2.6
163.04010	100.0
164.04364	2.7
175.03969	7.4
177.05502	2.2
179.03494	48.2
187.04024	1.9
191.03499	6.3
200.59253	1.3
203.03502	20.0
205.05051	3.2
215.03481	2.9
219.02975	28.5
231.03041	4.2
259.02490	1.6
277.03546	22.7
278.03717	1.2
293.03055	28.5
295.04547	27.4
296.04947	1.5
481.76645	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	457.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65017	0.9
59.01373	8.4
61.98841	1.4
69.65718	1.0
70.51342	2.2
72.99296	4.7
87.00876	15.5
96.25043	0.9
103.00386	5.0
103.25088	1.0
105.01967	1.3
109.02957	3.4
111.00854	1.6
112.98808	23.0
117.03461	1.8
119.05029	55.9
125.99589	2.3
130.99834	3.0
133.02930	3.5
134.03786	2.0
135.04530	39.7
136.04843	1.3
137.02492	1.4
139.00366	3.0
145.02898	5.0
147.04523	4.2
148.99698	1.9
149.00912	47.5
161.02446	10.0
163.04007	100.0
164.04364	2.5
175.04015	2.9
176.96597	0.9
177.05473	1.2
179.03488	29.4
180.03709	1.0
191.03543	3.6
197.05931	0.9
203.03476	12.6
215.03487	1.8
219.02982	15.6
231.02948	2.1
275.02042	1.1
277.03564	10.3
293.03027	13.4
295.04559	30.9
296.04999	1.3
311.04056	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12946	1.8
59.01379	77.9
66.71339	1.8
69.89144	7.3
71.01383	29.3
72.99329	4.7
83.01399	2.0
83.48428	2.3
85.02955	6.9
87.00857	3.7
89.02438	28.1
96.95979	3.0
98.22585	4.1
101.02435	18.4
109.02966	2.9
112.98795	6.2
113.02457	9.2
119.03498	11.4
119.05027	9.4
123.08196	3.9
133.02931	3.3
135.04556	12.6
145.02988	3.1
163.04008	19.0
171.11794	3.0
174.99220	4.7
179.03548	10.1
179.05516	2.1
189.12854	7.7
191.03415	2.0
191.92345	2.2
203.03513	2.7
212.04945	2.2
217.00311	7.0
219.02982	5.5
239.05844	2.3
254.08328	9.7
277.03403	4.5
277.10611	5.4
293.02997	3.0
295.04489	4.1
295.11786	2.8
300.87247	2.3
384.58047	2.3
443.63626	2.4
457.17160	100.0
458.17297	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	457.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	12.4
59.01374	7.0
61.89606	0.4
61.98827	1.3
62.23557	0.4
70.57623	0.5
71.01385	4.2
71.61642	0.4
73.02968	1.1
79.85004	0.5
81.07119	0.6
82.75024	0.5
83.05028	0.6
85.02946	1.7
89.02450	1.0
93.00817	0.5
95.05023	2.6
99.08158	65.1
100.08495	1.0
101.02425	2.1
105.03444	1.0
109.06595	1.1
110.09299	0.4
113.02489	1.6
119.05006	1.1
123.04525	100.0
124.04858	2.6
127.07654	64.7
128.07983	1.5
129.05583	22.3
138.03188	0.8
144.04573	0.7
150.06450	0.6
153.05579	46.5
154.05902	1.5
159.03014	0.6
161.04564	7.3
171.06625	15.9
174.99280	0.7
189.07700	2.3
190.05139	1.0
209.07991	1.5
217.00204	0.7
285.09793	14.9
286.10229	0.9
374.99225	1.1
406.89764	0.5
457.17200	8.7
457.23315	0.7
481.15277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65026	0.8
58.33354	0.8
59.01380	100.0
60.01672	0.9
61.13258	0.8
61.98828	2.6
64.06216	0.8
69.21228	4.7
71.01376	1.1
74.47343	0.8
80.71397	0.8
89.58955	0.9
100.13583	0.9
113.65160	0.9
132.94292	1.0
159.02895	0.9
163.03999	2.1
178.06328	1.2
193.08653	2.2
217.00317	2.9
264.72855	1.1
303.09744	1.0
341.58282	0.9
374.99030	2.2
431.06537	0.9
434.33246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79363	3.4
59.01378	100.0
60.92104	3.6
64.70528	3.6
69.03455	10.7
70.29362	6.5
71.01375	22.2
72.99313	4.8
73.02941	37.8
78.77216	3.7
85.02946	10.0
87.00861	6.8
89.02457	21.5
92.38201	3.7
96.96008	4.5
97.02953	4.4
99.41595	3.8
101.02443	37.5
103.03998	25.2
109.02985	4.2
115.04018	9.7
119.03503	8.3
127.81015	3.7
131.03468	4.5
135.45068	3.7
143.03474	9.9
145.05026	8.4
163.06136	69.8
174.99216	7.4
185.00803	6.9
205.07138	15.0
217.00346	20.0
247.45920	4.5
265.09247	7.7
374.98987	8.8
457.29797	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	457.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	15.7
59.01375	13.5
61.98840	8.8
69.03435	1.2
71.01379	3.5
71.42863	1.2
73.02924	1.6
77.97395	1.1
80.41199	1.1
85.02951	2.4
87.00877	2.1
89.02451	1.3
95.05006	2.3
96.96021	2.0
99.08160	76.5
101.02459	2.1
109.06638	1.3
113.02464	2.5
123.04530	100.0
124.04891	2.8
127.07655	74.3
128.08018	1.6
129.05585	76.1
130.05861	1.6
138.03217	2.5
149.06097	7.0
153.05579	48.0
161.04572	7.5
166.94489	1.0
171.06635	19.4
189.07675	5.0
217.00275	2.4
242.57477	1.1
280.36395	1.2
285.09827	16.6
374.99091	1.3
439.16037	1.6
457.17114	31.0
457.23376	2.3
458.17505	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	457.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81136	12.4
59.01377	100.0
60.63340	11.8
61.98811	41.9
69.29253	65.7
71.01362	25.2
86.68304	14.8
87.00868	30.0
89.94466	13.7
93.03484	18.1
98.02525	14.6
98.39338	11.6
103.00328	13.4
112.98822	41.5
119.05009	22.5
130.08722	31.6
135.04506	57.8
143.05106	17.9
149.00835	16.3
159.65108	13.6
161.02452	28.5
163.03981	79.8
179.03468	35.6
203.03430	19.1
208.74840	12.3
217.00336	32.6
219.02934	18.7
289.17920	30.3
293.03055	31.0
295.04526	15.5
309.07562	13.4
325.19968	15.6
329.39429	14.2
337.07147	51.2
374.99258	12.6
422.23224	13.8
457.11496	31.6
457.18439	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44939	0.8
55.57903	0.8
59.01380	100.0
61.98821	1.8
69.51735	2.4
91.04003	1.3
128.03532	1.1
146.10416	0.8
171.10248	1.6
174.99205	1.5
198.42793	0.8
209.11826	1.0
217.00291	3.8
237.14963	1.6
265.14346	0.9
287.16589	1.0
294.95486	0.8
295.65741	0.8
305.17487	1.2
323.18634	3.7
329.23172	0.8
374.99115	1.8
413.06049	1.0
458.27859	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98838	6.0
70.66378	3.3
71.01392	3.0
84.02240	1.9
85.02978	1.8
89.02454	3.0
95.05003	2.9
96.95985	2.2
99.00932	2.4
99.92580	2.6
109.06600	4.0
113.00356	2.1
116.92869	3.1
116.97260	26.1
125.84502	1.9
133.06595	34.7
148.35492	2.2
149.09714	4.0
160.84236	2.2
164.85513	2.1
171.10306	3.1
189.12891	5.8
194.27377	1.8
217.00299	6.9
229.12282	3.6
243.17506	9.9
247.13388	4.5
267.51303	2.2
269.15469	3.2
287.16522	72.4
288.16833	2.8
305.17554	5.7
323.18677	2.4
361.20102	6.6
371.12241	11.6
374.99155	5.7
379.21225	3.1
387.98318	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	457.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98824	10.9
71.01376	18.1
72.21453	1.9
73.02941	3.7
85.02969	4.1
89.02443	9.6
98.32656	1.9
101.02447	8.3
112.51035	2.0
113.02451	10.8
116.92907	2.4
119.03509	3.1
128.03546	2.7
217.00301	8.5
220.87077	5.4
284.95160	2.2
374.99146	4.9
397.22382	5.3
415.23349	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	457.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29881	4.7
59.01378	69.9
59.21093	6.0
60.02039	5.2
61.98827	18.1
69.36942	22.3
71.01370	5.4
71.05039	5.5
116.92849	6.0
148.59767	5.3
157.68240	5.2
162.06967	6.6
174.99281	12.5
189.12814	8.1
213.53230	5.8
217.00337	31.2
217.27319	5.8
221.11868	10.2
223.13388	21.4
231.13953	7.2
233.11769	6.0
237.85059	5.0
249.15041	26.1
251.12679	6.7
267.10312	7.1
287.16531	22.8
295.06207	9.5
305.17551	57.4
325.16455	15.7
374.99036	10.5
379.21301	100.0
380.21387	10.3
382.27237	5.2
397.22397	10.1
421.17758	6.2
463.85403	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	458.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13651	0.3
56.33144	0.3
59.01369	0.8
64.05938	0.2
69.33185	1.1
69.82619	0.3
71.01378	0.6
85.69984	0.3
89.02430	0.4
90.03501	1.0
93.03458	25.7
94.03782	0.4
107.03791	2.0
108.04546	1.0
118.02988	54.0
119.03310	1.1
121.02955	6.0
128.03558	0.6
128.44429	0.3
130.57399	0.3
134.02473	0.8
135.04529	0.8
136.03964	0.5
149.00917	0.4
161.02440	0.6
164.03531	100.0
165.03848	2.8
179.03539	0.6
253.67590	0.3
293.08740	0.4
428.92487	0.3
458.13028	9.4
459.13376	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88134	0.6
59.01385	1.7
61.98832	100.0
70.31460	1.0
70.31789	0.9
119.05036	1.3
132.89861	0.8
141.08582	0.7
164.74522	0.7
176.54774	0.8
209.58528	0.7
214.61803	0.7
272.20364	0.8
395.15952	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	458.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.9
61.98812	7.4
71.01376	31.0
71.42431	1.8
73.02942	14.7
79.15530	1.7
83.01383	8.5
85.02948	14.3
85.99992	1.7
89.02444	5.4
97.02963	3.9
99.00865	5.0
101.02443	28.3
104.36583	2.0
113.02450	13.9
116.23557	1.7
125.02467	4.4
143.03485	2.0
159.03006	3.9
161.04556	18.0
247.08202	2.5
269.10278	48.3
270.10510	2.5
353.58246	2.1
415.16074	100.0
416.16241	8.5
458.20377	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	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98830	100.0
67.03888	0.4
69.46703	1.8
69.48117	0.4
71.01392	1.5
85.02975	0.6
87.32815	0.4
89.02434	0.6
101.02499	0.7
119.05070	0.9
135.04530	0.6
149.00957	0.7
163.04034	0.5
237.23657	0.4
296.09375	1.9
296.12314	0.5
346.69839	0.4
386.72156	0.5
387.98477	0.4
398.20004	0.8
415.16257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.8
61.98830	100.0
67.03888	0.4
69.46703	1.8
69.48117	0.4
71.01392	1.5
85.02975	0.6
87.32815	0.4
89.02434	0.6
101.02499	0.7
119.05070	0.9
135.04530	0.6
149.00957	0.7
163.04034	0.5
237.23657	0.4
296.09375	1.9
296.12314	0.5
346.69839	0.4
386.72156	0.5
387.98477	0.4
398.20004	0.8
415.16257	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69088	6.1
59.01364	13.0
61.98824	9.5
62.17493	6.6
69.31283	22.8
69.31696	16.5
78.95917	15.6
82.95464	5.9
109.06598	14.6
116.19160	8.4
120.66702	7.0
121.02913	6.7
144.25461	7.0
149.28635	7.9
152.99586	20.5
153.05595	7.7
163.07666	15.5
174.99246	11.1
176.08908	6.7
179.10722	10.8
186.91682	6.4
223.09772	68.2
235.09837	15.3
238.15723	6.4
301.21695	12.7
311.52197	7.9
343.29956	7.7
353.11227	9.2
363.11252	13.5
415.32278	18.8
421.81769	7.0
423.97900	6.9
440.21054	7.5
458.16339	20.3
459.20642	100.0
459.31137	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34235	0.7
54.19787	0.7
57.15809	0.8
59.01374	10.2
68.84647	0.9
72.76146	0.8
72.99298	1.3
75.94177	1.0
81.07104	4.3
84.99295	2.6
87.00879	14.7
103.00372	5.8
107.05025	3.0
107.74425	0.8
109.02939	3.5
110.02514	0.7
111.00887	0.9
112.98811	30.6
121.10231	2.4
130.99860	3.0
133.02956	4.5
134.03738	9.5
135.04526	100.0
136.04854	2.8
137.02426	1.4
139.00349	3.5
149.00917	1.9
161.02431	9.8
163.04048	4.7
165.09206	34.5
179.03496	75.9
180.03777	2.3
187.04033	0.8
191.03462	3.6
219.02954	15.3
220.03413	1.4
221.04529	1.3
231.03084	1.6
240.29767	0.8
293.03030	14.1
297.06644	1.6
297.09775	22.9
298.10040	1.1
469.17471	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	43.7
60.54501	1.4
61.98829	10.1
70.61222	2.4
70.71146	1.5
71.01390	9.7
73.02937	1.5
82.95406	1.9
89.02438	16.2
93.03455	4.9
99.04522	2.1
101.02433	4.3
113.02453	3.4
116.92848	2.6
118.02959	2.8
119.03511	3.6
119.05026	3.0
130.08693	1.6
147.03275	2.0
147.04453	1.9
160.04074	2.1
173.04736	1.4
174.05630	2.2
179.05627	2.3
191.82706	1.3
221.06020	3.1
238.06458	27.0
239.07138	19.6
262.98660	1.3
266.08209	100.0
267.08963	44.2
268.09109	1.9
279.10260	3.3
327.21616	2.9
429.14276	79.7
430.14459	4.8
459.23544	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	459.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05318	1.6
57.03431	1.9
59.01379	100.0
61.98828	8.3
69.03436	2.9
69.70572	4.6
71.01382	35.7
72.99308	1.5
73.02947	79.0
83.01387	21.8
85.02953	9.5
87.00879	8.1
88.09673	1.4
89.02445	16.0
91.97328	1.5
92.59357	1.4
95.01438	1.6
101.02438	57.4
104.37244	1.5
112.98785	3.5
113.02443	12.7
114.01973	2.2
116.92881	2.8
119.03514	6.3
125.02470	2.8
131.03555	3.2
133.89107	1.4
143.03452	3.5
148.22298	1.5
149.04591	3.3
155.03540	1.9
161.02440	1.6
161.04588	10.0
171.10268	4.7
174.04239	1.4
183.13924	1.9
184.74796	1.4
193.12343	9.1
211.13385	11.9
221.11821	2.2
229.14465	5.9
245.21199	1.5
248.84746	1.7
271.02548	1.7
291.19571	3.1
297.16965	4.3
327.21768	71.4
328.22098	4.4
355.17654	3.6
373.18649	9.0
415.14154	2.5
415.19720	47.5
416.20065	2.7
459.09546	4.8
459.22101	2.6
460.27182	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	459.2003
Annotation	brugunin A
Peak:m/z	Relative Intensity
56.60764	15.4
59.01376	79.8
61.98826	100.0
71.42258	13.5
84.95100	22.8
116.92896	17.1
119.05010	19.4
120.60587	13.9
132.64568	14.1
162.05598	21.5
166.14879	16.0
197.98784	18.3
327.21609	34.3
459.20102	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	2.6
58.10513	2.1
59.01384	70.2
61.98835	26.4
71.01379	7.1
73.02940	3.5
85.02943	4.3
87.00851	6.6
89.02448	3.5
101.02431	6.0
102.05616	5.1
113.02453	5.1
114.46318	2.6
114.81854	2.2
116.92865	2.3
122.03799	2.5
123.04607	2.0
128.03540	3.1
135.04509	2.4
137.02388	2.6
152.07202	2.9
159.04509	7.5
161.04514	2.7
171.10242	8.1
173.06061	2.9
174.06911	3.8
175.06361	31.9
175.07672	15.8
176.07175	5.8
191.09544	8.4
201.11307	2.2
215.12874	11.0
223.13338	6.8
237.15097	2.3
243.13730	3.0
244.13548	2.5
260.16537	4.2
264.99530	2.3
309.20724	9.3
314.46915	2.2
327.21704	25.9
374.17224	2.9
391.20007	9.0
398.69485	2.5
442.26071	5.3
459.18823	12.8
459.24991	4.0
460.27081	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	459.252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28654	0.7
59.01356	1.9
61.81394	0.6
61.98826	1.6
68.68689	0.7
69.83804	1.6
69.84130	1.3
78.95893	6.3
82.48960	0.9
86.76033	0.7
98.21928	1.3
110.80097	0.6
125.00089	2.9
134.75967	0.7
152.99591	1.1
181.02737	1.3
199.03772	3.2
209.03761	0.6
223.69423	0.7
275.20035	0.9
277.21725	100.0
278.22110	5.4
337.21808	1.7
339.24460	0.8
355.13510	0.8
459.25336	7.0
459.31143	1.2
460.25632	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2514
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63004	0.3
59.01368	1.0
69.94102	0.8
75.44762	0.3
75.94769	0.3
78.95901	6.5
84.63551	0.3
87.28853	0.3
89.61641	0.3
90.46786	0.3
121.47706	0.3
125.00104	2.9
128.73711	0.3
152.99635	0.6
181.02713	1.2
199.03761	3.7
233.22675	0.4
233.58917	0.3
239.09050	0.4
257.34024	0.3
277.21716	100.0
278.22021	6.3
459.25189	7.8
460.25684	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40199	0.8
59.01379	100.0
61.98835	5.3
69.83379	0.7
69.83717	3.0
87.00883	1.8
96.70226	0.8
118.96841	0.8
124.98934	0.8
125.87315	1.7
133.02917	1.4
135.04488	2.8
161.02432	4.7
176.96849	0.8
179.03511	1.9
194.90173	0.8
226.51593	1.0
250.05072	1.6
265.33179	0.8
276.02982	1.3
322.03467	4.5
323.03677	1.0
400.27979	1.2
424.84222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.6
59.01380	100.0
60.01697	1.1
61.98841	8.4
69.69433	2.5
71.63382	0.7
78.95913	2.8
89.02472	1.0
91.04015	3.5
92.92818	2.5
93.17599	0.8
96.96016	1.3
97.06609	1.0
111.10593	0.8
114.35583	0.7
152.07230	1.5
152.99585	4.9
176.90189	0.8
178.29048	0.7
195.13921	0.8
207.47699	0.9
209.11812	1.5
237.14963	15.2
289.18060	4.1
311.18668	2.7
325.20236	11.0
379.60129	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.26
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01378	100.0
60.01713	1.2
61.28346	0.4
61.98837	4.8
65.81313	0.3
69.35696	1.4
71.01383	7.7
71.05017	0.7
73.02943	2.7
74.29936	0.4
83.01393	0.7
85.02945	5.3
87.00886	1.0
89.02448	2.4
93.32516	0.4
95.01396	1.2
97.02996	0.4
99.00879	1.0
99.30704	0.4
101.02425	3.6
113.02444	7.7
119.03510	1.4
134.70959	0.4
141.01770	0.4
143.03549	0.7
146.08218	1.3
159.02982	0.4
161.04587	3.3
205.12335	0.4
253.93182	0.5
277.12387	1.0
327.21719	4.8
330.61057	0.4
338.32782	0.4
399.23828	8.4
417.24942	3.9
459.27640	0.8
460.27200	0.7
463.21600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2905
Annotation	Menatetrenone Epoxide
Peak:m/z	Relative Intensity
51.22738	0.5
57.65001	0.5
70.45341	1.1
83.60748	0.5
98.00673	0.5
107.05030	29.9
108.05360	0.6
109.64723	0.6
116.92837	0.9
138.69647	0.5
163.11287	100.0
164.11604	2.7
223.60600	0.5
235.91501	0.6
283.17023	24.8
284.17514	1.5
290.70602	0.6
295.16992	15.0
296.17239	0.7
375.37619	0.6
459.29028	51.8
460.29483	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	460.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48294	1.7
57.28275	1.8
59.01380	15.2
59.12865	1.9
59.24872	1.7
61.98830	9.9
69.03460	2.1
71.42667	2.3
72.99326	3.4
87.00880	18.7
88.88492	1.9
89.02457	2.4
103.00341	3.0
105.03455	2.6
109.02938	6.5
112.98809	6.7
121.02864	1.8
121.05322	3.1
122.06104	5.6
124.04058	3.1
133.02959	34.3
134.03767	24.7
135.04518	41.5
137.02469	9.9
139.03992	5.0
143.97610	2.1
149.00922	100.0
149.04831	19.5
150.05611	47.2
159.04655	1.7
161.02443	2.8
177.01959	12.7
178.02699	15.9
179.03499	56.7
180.03828	2.2
247.64478	1.9
255.08990	6.0
256.09683	2.7
263.12802	4.5
284.03333	6.9
285.04141	2.1
285.29910	1.7
297.04013	7.0
298.04831	35.1
299.05643	8.1
302.90466	2.1
309.02542	2.9
310.03564	2.0
311.04199	7.2
328.08270	92.7
329.08624	4.3
341.06735	31.9
353.06726	2.5
371.07562	7.4
395.26913	2.2
461.10883	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21947	0.5
55.01881	1.7
57.03437	1.2
58.00591	1.2
59.01379	77.4
60.00898	7.9
60.01693	0.6
64.00909	0.5
69.03458	6.1
69.99330	0.5
70.23095	1.2
71.01380	86.4
72.01715	1.5
72.99303	2.3
73.02948	7.4
76.20581	0.4
79.01851	0.5
81.03444	4.5
83.01381	5.0
85.02953	10.8
87.00869	2.4
89.02443	100.0
90.02779	0.8
95.01374	1.5
97.02946	10.5
99.00875	1.4
101.02439	18.7
101.70267	0.4
107.01394	0.5
111.00889	0.8
112.98803	1.1
113.01708	1.0
113.02454	12.8
115.04005	0.6
119.03539	3.9
119.05021	12.5
120.05281	0.6
125.02448	35.2
126.02759	1.0
128.03532	1.0
131.03513	21.8
135.04489	1.9
136.04889	0.7
139.03983	1.6
143.03482	3.3
149.00844	1.4
149.04561	31.5
161.02380	1.0
161.04509	1.4
162.05556	2.0
164.04388	0.5
166.05083	17.9
167.03493	0.8
167.05284	0.5
173.04512	0.9
179.03389	1.4
180.03824	0.6
191.03941	0.6
191.05605	10.4
194.03752	0.6
233.06660	7.7
253.95509	0.5
269.10242	1.0
293.08786	39.9
294.08829	1.8
298.10858	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	460.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99331	1.3
59.01072	0.8
59.01375	14.5
61.98856	0.4
69.03446	0.9
71.01382	13.0
73.02941	1.4
76.65625	0.5
81.03474	0.7
83.01388	0.8
85.02950	1.3
87.00874	1.1
89.02445	19.1
93.03458	2.7
97.02948	1.4
99.00911	0.7
101.02450	3.3
106.04244	5.5
108.02177	3.2
112.47977	0.4
113.02460	1.9
117.00433	0.5
117.01896	0.5
119.03480	0.8
120.04615	0.4
121.02956	1.0
123.04527	1.2
125.02454	7.0
130.08769	2.4
131.03488	5.2
133.02930	1.1
135.04549	2.1
138.45088	0.5
143.03499	0.7
148.04039	1.0
149.00908	1.7
149.04565	7.8
159.01491	1.0
161.02438	1.5
166.05093	100.0
167.05435	2.4
176.98112	0.6
179.03514	1.4
191.05565	2.6
201.00551	0.5
202.85518	0.4
233.06613	2.0
284.09433	0.7
293.08810	13.0
335.63223	0.4
372.03183	0.7
400.02686	0.6
460.14502	11.8
460.20496	0.8
461.14774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38170	0.4
57.50800	0.3
57.73228	0.3
59.01383	2.0
59.01635	0.3
61.98831	100.0
69.39243	0.5
69.39658	1.3
78.79800	0.4
85.72639	0.4
96.96031	0.4
97.24450	0.4
103.01544	0.5
111.69813	0.4
122.46339	0.4
127.87051	0.5
152.07161	1.1
152.99594	0.7
181.31732	0.4
202.82283	0.4
236.89461	0.4
244.59506	0.4
309.20813	0.8
327.21790	0.9
460.07129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51235	0.3
57.09170	0.2
59.01373	0.5
59.34621	0.2
61.98830	100.0
63.44477	0.2
69.34056	0.6
69.34478	0.7
69.84645	0.2
78.95915	0.5
84.01698	0.2
98.22608	0.4
99.92571	1.1
102.05527	0.2
102.48666	0.2
116.92889	0.2
118.90009	0.6
137.32652	0.2
138.68231	0.2
152.99644	0.9
160.84219	0.3
162.83961	0.5
169.28912	0.2
174.80537	0.2
181.15215	0.2
239.57500	0.2
306.70361	0.3
424.11966	0.8
444.30341	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39817	1.0
59.01376	2.7
61.98829	100.0
66.41872	1.1
67.19134	1.0
69.04360	1.0
71.41776	1.1
96.33179	1.1
96.96082	1.2
104.76225	1.2
354.47467	1.1
423.18890	1.5
424.19522	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	460.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.8
59.45266	0.4
61.98830	100.0
70.82774	0.6
99.92622	0.5
191.65573	0.5
224.13947	0.6
454.73346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.9
61.98839	3.4
69.51532	2.3
78.95911	7.0
80.61442	0.7
96.71304	0.7
140.01173	1.9
196.03833	1.3
214.04761	3.7
235.17133	0.9
240.03041	0.7
263.20151	100.0
264.20486	5.9
265.04846	0.6
275.19809	1.4
293.21176	3.9
460.24695	9.6
461.24332	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.7
59.01385	1.6
61.98817	7.3
67.66164	0.7
69.10512	5.3
121.02967	17.2
122.03770	21.3
123.04519	2.3
124.01638	0.9
125.09727	2.9
137.09738	0.9
139.11360	1.0
151.06412	6.8
152.07176	100.0
153.07504	2.8
153.09227	1.1
153.52095	0.8
154.02676	1.0
155.10686	1.0
160.84209	0.9
171.10265	2.5
199.09753	3.9
200.10561	2.9
201.11337	1.5
247.20676	2.7
263.20157	1.2
265.68933	0.9
273.18634	1.0
289.18195	3.0
291.19446	4.7
307.19186	12.9
309.20724	62.2
310.20932	3.9
388.96634	1.0
401.08737	1.6
402.09052	3.8
460.27039	28.4
460.42346	0.8
461.27368	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	460.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58049	0.5
56.73936	0.5
59.01364	1.1
61.98819	2.1
69.28961	2.8
77.05585	0.5
94.32431	0.5
97.06564	0.7
107.08639	1.2
121.02966	5.1
122.03741	19.4
123.04556	1.1
124.01571	0.5
125.09718	2.7
125.87315	0.7
135.08151	0.6
135.54190	0.6
137.02495	0.8
137.09666	0.8
151.06383	7.3
152.07175	100.0
153.07507	2.7
153.12901	0.7
154.02765	0.7
155.10721	0.5
155.14224	0.7
170.89267	0.5
171.10284	2.2
180.22028	0.5
199.09760	4.3
200.10539	2.3
201.11293	1.5
213.11426	0.7
243.90521	0.5
247.20638	1.9
279.22699	0.6
289.18109	2.2
291.19693	4.6
307.19165	12.4
308.19577	0.8
309.20715	58.2
310.20984	3.5
389.64926	0.7
460.27063	27.2
461.27246	2.7
470.94046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2714
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
59.01381	24.4
61.98827	22.2
71.01375	7.7
71.05327	3.0
73.02950	3.3
76.22058	2.0
84.02157	2.3
89.02461	10.2
99.00861	2.3
99.92601	2.6
101.02461	10.7
111.23232	1.8
113.06371	1.8
117.10923	1.8
118.47931	2.1
121.02930	5.5
121.23368	1.8
135.04500	11.1
135.08185	4.7
151.06357	6.7
152.07207	5.9
153.09099	2.6
165.07936	6.2
167.10783	2.2
178.08762	2.0
181.76308	1.8
201.03590	2.4
208.44499	2.0
288.16022	7.6
290.17520	9.5
291.19659	5.8
306.17172	5.5
312.06595	2.0
424.25238	2.7
442.26089	12.4
443.26669	1.9
444.19971	2.0
460.27045	100.0
461.27219	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	460.271
Annotation	Epothilone H1
Peak:m/z	Relative Intensity
52.39173	0.4
53.43071	0.4
59.01381	15.1
60.01709	0.9
61.98834	3.8
65.84409	0.5
66.62193	0.4
69.33132	1.7
70.77699	0.5
71.01363	1.6
73.02964	0.4
76.23321	0.5
85.02919	0.8
113.02428	0.8
121.02943	0.6
122.03746	1.0
125.09712	0.8
135.04565	2.2
136.05278	1.2
145.02950	0.5
146.03751	2.0
147.03401	0.9
147.04494	4.4
148.05302	1.5
149.85898	0.5
152.07196	2.3
158.03673	0.5
159.04524	9.6
160.03993	0.8
160.05304	0.6
161.04781	0.5
161.06105	1.9
162.05600	1.2
162.06821	1.1
167.03389	0.7
171.10266	1.6
172.05281	0.7
173.06061	2.8
174.05646	3.2
174.06868	3.9
175.03966	1.1
175.06363	35.3
175.07677	17.3
176.07112	6.4
177.07806	0.7
178.08769	0.6
185.06091	0.7
187.07613	1.0
189.05511	0.5
190.08755	1.3
191.09506	8.6
199.09737	0.7
201.09340	0.7
201.11208	0.7
213.11313	2.1
215.10837	0.9
215.12872	12.5
218.08176	0.5
229.12376	0.6
232.13399	0.5
243.13925	2.4
244.13464	2.7
246.10126	0.5
246.14909	1.4
248.09256	1.0
258.15100	0.7
260.16556	3.4
291.19543	0.6
309.20731	3.0
325.14603	0.6
362.17261	0.7
374.17227	3.0
375.18033	1.3
391.19952	10.1
400.24237	0.6
418.25143	0.9
424.24731	1.3
442.25925	3.8
460.27054	100.0
461.27374	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	460.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83021	2.5
59.01366	7.9
61.98829	23.3
71.01331	2.5
81.65543	2.5
84.04548	5.8
90.83285	2.2
92.50254	2.3
102.05604	41.6
119.05033	7.4
126.25145	2.4
128.03542	48.4
131.66206	2.6
134.03728	4.4
146.04602	6.1
190.05086	2.2
208.86328	2.9
212.16632	4.0
246.94341	2.5
298.04868	2.6
313.23880	5.4
329.23395	3.7
331.24857	41.9
416.30161	7.8
423.19296	3.4
424.19531	6.1
442.28113	6.1
460.29147	100.0
461.29565	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	460.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45087	0.7
59.01368	4.6
61.33246	0.7
61.98824	4.6
67.90524	0.8
69.48784	1.9
69.49166	1.4
74.02464	0.8
83.05022	0.8
84.04558	4.0
85.02916	0.9
85.06591	2.3
88.25391	0.8
97.06614	0.9
100.07673	1.4
102.05610	40.4
118.58558	0.8
125.09731	1.0
127.11285	2.5
128.03542	56.0
136.39920	0.8
146.04591	8.5
152.07156	0.7
157.12308	1.9
171.10274	2.7
184.17049	2.6
189.51743	0.7
205.97542	0.8
212.16553	3.9
295.22733	1.6
313.23688	7.2
329.23193	4.1
329.92191	0.8
331.24872	46.1
332.25214	2.9
342.95145	0.9
361.54663	0.9
416.30176	6.8
422.36972	0.9
442.27994	7.2
460.29150	100.0
461.29529	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	460.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.3
59.81790	1.9
61.98829	16.2
71.01372	2.4
73.02937	2.6
75.72627	2.7
84.04570	6.2
95.07920	2.1
102.05605	37.1
109.89948	2.1
117.03463	1.9
128.03546	51.3
135.05379	2.0
146.04630	7.8
157.12405	2.6
171.10306	4.3
184.17189	2.7
196.77359	2.0
212.16528	3.2
215.12849	2.0
313.24017	4.4
329.23276	2.9
331.24927	46.3
332.25140	4.7
416.30371	9.6
442.28333	6.8
460.29202	100.0
461.29471	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	460.8935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20842	1.2
67.01903	3.2
71.42493	1.0
84.02182	2.0
85.02454	2.4
85.02955	37.2
86.03300	1.2
89.50916	1.1
96.73013	1.2
97.57215	1.2
111.00886	43.6
129.01944	17.1
146.08183	1.5
148.96526	1.8
154.99837	1.4
166.97516	66.0
173.00914	5.2
192.95508	2.2
210.96527	8.3
218.14215	1.2
222.94315	1.4
248.92099	1.6
269.88504	1.1
289.96024	1.6
290.96811	1.8
346.93433	43.0
354.90164	1.9
360.91348	17.5
372.91348	100.0
373.91547	4.4
390.92291	8.2
398.89041	1.7
416.90042	3.9
447.48740	1.4
460.17963	2.2
460.89432	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	460.8935
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.6
62.83757	1.5
66.85370	1.2
67.01898	2.5
69.51512	3.8
69.51909	2.3
78.95894	1.7
84.02146	1.3
85.02955	43.4
98.22618	2.6
108.69686	1.3
110.89957	1.4
111.00153	2.8
111.00884	48.1
129.01949	17.1
135.04494	2.5
153.91803	1.4
166.97525	68.3
167.03519	3.3
173.00909	4.7
192.95369	2.0
210.96454	7.3
286.89014	1.3
290.96692	1.9
340.85480	1.4
346.93433	30.5
347.93896	1.6
360.91318	17.0
367.83963	1.5
372.91339	100.0
373.91534	3.9
382.16785	1.5
390.92303	15.5
398.89490	1.7
416.89941	2.8
460.89026	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	461.0728
Annotation	Demethylwedelolactone 3-O-glucoside
Peak:m/z	Relative Intensity
59.01382	6.8
61.98807	0.8
63.77843	0.9
65.00300	0.9
69.33189	4.1
71.01365	1.5
89.02420	2.0
98.22620	1.6
101.02412	1.5
107.01372	2.1
133.02948	2.1
145.02943	1.0
147.04482	1.0
151.00291	3.7
158.03638	2.6
160.01552	0.8
161.02306	2.5
163.00305	1.1
170.03662	1.3
171.04472	2.3
175.03972	1.0
178.99757	1.6
186.03191	6.2
189.01810	1.2
197.02428	1.4
198.03137	1.2
199.03938	1.8
201.01874	2.2
214.02681	10.8
216.00714	2.0
216.37398	1.2
217.01302	1.0
227.03464	3.1
241.01422	63.1
241.05141	3.1
242.02191	38.8
243.02960	5.5
244.98683	1.2
245.00916	14.3
255.02876	2.0
257.08051	2.9
259.94809	0.9
270.01682	68.1
271.02435	41.2
272.02673	2.0
282.01559	1.6
283.02356	1.4
284.03159	1.8
285.03793	1.2
297.03860	4.6
298.00995	26.0
298.04633	21.1
299.01950	52.7
299.05255	2.7
300.02304	2.2
301.03317	2.9
309.03842	1.2
311.01660	1.8
313.03522	1.1
313.06863	1.5
325.03256	1.1
341.06610	16.7
353.06506	1.8
371.07840	4.8
373.52350	1.1
433.07700	4.5
450.64883	1.1
461.06900	100.0
461.23599	4.6
462.07486	6.3
486.69653	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.109
Annotation	Swertiajaponin
Peak:m/z	Relative Intensity
56.56760	0.5
59.52132	0.5
69.62082	1.9
71.01310	0.7
73.62885	0.6
74.32988	0.5
85.04285	0.5
98.22587	0.6
121.02854	0.7
132.02095	0.6
133.02939	1.6
134.03763	2.8
135.13280	0.5
161.02414	0.8
163.00378	2.9
164.00996	0.7
165.01889	1.1
189.01874	0.5
201.01808	0.5
202.02481	0.6
213.05565	0.6
214.06345	0.6
225.05502	1.2
227.03467	0.8
229.04967	0.8
241.01378	2.6
241.05028	1.5
242.02103	1.4
253.05046	1.5
255.02995	2.4
268.03635	0.7
269.04416	2.4
270.01651	2.3
270.05276	2.1
271.02386	2.0
284.03192	3.4
285.04071	1.7
296.03348	1.3
297.04025	17.6
298.04803	100.0
299.01938	1.8
299.05261	8.5
308.03256	1.0
309.04047	7.6
310.04761	2.0
311.05557	2.1
312.06219	1.9
313.07169	6.5
325.03552	1.8
325.07300	1.3
326.04416	2.4
327.04919	1.1
330.03870	0.6
337.03470	0.9
338.04236	1.6
339.05017	1.4
341.06641	77.2
342.07028	4.1
353.06592	5.4
356.05295	1.7
369.05682	0.6
371.07703	22.5
372.08154	1.2
383.07767	1.5
443.09924	1.2
461.11057	56.1
462.11224	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1092
Annotation	6-Methoxykaempferol 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01366	2.5
61.98829	0.7
63.02380	0.6
63.66043	0.5
66.75613	0.5
69.61997	2.2
71.01382	0.7
87.00867	0.6
101.02499	0.6
107.01385	0.9
116.92853	3.9
125.02460	0.7
125.24413	0.5
132.36201	0.5
135.04517	0.5
145.02977	0.5
151.00377	2.3
153.54468	0.5
159.88693	0.5
171.04681	0.6
197.02461	0.5
199.04030	4.3
201.01968	1.2
203.03616	0.5
204.04384	0.6
215.03494	3.7
225.01942	0.7
227.03513	4.0
229.01550	0.6
241.01469	1.4
242.02222	9.1
243.02971	42.1
244.03300	1.7
255.02977	1.5
257.04550	12.0
258.05026	0.7
270.01700	14.0
271.02475	41.1
272.02884	2.1
285.04047	22.2
285.07336	0.7
286.04788	6.5
297.03915	0.7
298.01810	0.5
298.04718	2.3
299.02036	10.4
299.05298	0.9
300.02646	5.5
314.04318	49.6
315.04950	8.0
329.23309	0.8
341.06662	2.1
357.06223	0.8
461.10944	100.0
462.11310	8.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1091
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
59.01369	0.4
69.17818	1.8
97.14837	0.3
115.00298	0.3
121.52411	0.3
132.02101	0.3
149.02386	0.4
151.00409	0.6
169.45100	0.4
183.04500	0.6
216.07487	0.3
227.03398	0.4
241.01372	0.4
242.02135	0.6
255.02991	77.9
256.03406	5.0
267.02814	0.3
268.03775	1.0
269.04504	3.9
270.01697	0.6
271.02487	0.6
283.02487	53.2
284.03168	11.2
285.03925	2.4
295.02509	0.4
297.04044	11.6
297.07428	0.6
298.04807	15.7
299.02036	0.7
299.05539	8.8
300.05811	0.4
313.03583	4.4
327.05011	0.6
341.06650	1.3
363.27286	0.4
431.30310	0.3
446.08539	17.4
447.08929	1.3
461.10928	100.0
462.11267	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	461.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29719	9.8
59.01371	20.7
60.13674	10.8
65.93080	11.6
66.54269	11.4
95.18027	11.7
112.29568	11.5
118.16795	10.5
139.07599	26.3
151.07649	50.1
153.09204	14.9
204.11688	16.2
219.13850	36.0
231.08545	13.7
263.12866	100.0
278.83859	11.5
299.05719	15.5
341.06592	15.5
411.20016	13.6
461.10501	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.98829	7.1
64.99274	3.0
66.25136	3.2
71.01379	16.7
71.44907	3.3
72.99316	3.6
82.95963	3.3
85.02950	12.6
87.00853	3.8
89.02439	23.0
90.19992	3.0
96.96008	5.0
101.02466	9.2
113.02436	6.0
119.03530	8.2
137.22871	3.3
150.77145	3.4
161.04535	8.9
183.71519	3.8
189.59544	3.7
203.10779	8.7
221.11861	14.3
225.11311	7.9
315.14743	5.0
384.53033	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	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67837	4.9
53.87246	4.4
59.01116	6.8
59.01384	100.0
62.04103	5.0
71.01392	22.8
85.02942	10.6
85.07050	4.4
87.00860	5.3
89.02445	38.9
96.94830	4.5
101.02445	19.2
109.71286	4.4
113.02455	10.6
114.73500	4.0
115.00714	4.4
115.79118	4.0
119.03503	13.7
134.04770	24.2
161.04549	6.2
174.86571	7.1
179.05661	9.3
209.04486	5.2
223.94328	7.3
224.95320	4.7
225.07764	8.3
225.94083	10.1
248.02443	4.9
261.91583	11.4
263.91385	6.6
388.73291	4.4
401.18204	41.4
422.94424	11.9
424.93939	6.1
437.23160	4.4
446.27237	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	461.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27118	0.7
55.01898	1.0
59.01378	100.0
60.01708	0.8
61.98828	1.7
62.41086	0.7
70.21693	1.6
70.22026	1.6
71.01378	11.9
72.99310	10.1
73.02947	15.3
75.00871	67.0
83.01385	1.7
85.02962	3.0
87.00876	1.1
89.02442	10.4
95.01403	0.8
99.00919	0.8
101.02442	7.8
112.98859	1.6
113.02457	4.3
119.03539	2.7
131.03445	1.0
135.04533	1.7
142.45760	0.7
143.03548	1.0
151.07619	0.8
161.04543	4.0
165.05594	0.8
167.03525	3.0
179.05679	3.5
181.08852	0.7
189.35437	0.7
221.11885	2.0
269.10385	5.2
280.63922	0.8
299.04404	0.9
304.17648	0.7
401.18210	2.0
415.16119	10.0
419.24631	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71364	0.3
57.29271	0.3
59.01371	0.7
61.98830	0.6
63.12701	0.4
65.50294	0.3
71.22491	0.4
76.20407	0.3
78.95902	6.5
101.66586	0.3
117.59595	0.4
125.00091	2.3
150.51711	0.3
152.99591	0.4
181.02742	1.4
199.03746	3.1
203.00845	0.3
279.23285	100.0
280.23608	6.2
376.34811	0.3
461.26712	9.5
461.33188	0.6
462.27393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98819	0.4
63.63157	0.4
71.22267	0.5
78.95901	7.9
85.53951	0.5
94.11918	0.4
95.65231	0.4
125.00101	3.5
127.62497	0.5
131.79826	0.5
152.99577	0.9
160.84189	4.3
181.02751	2.2
199.03781	3.7
279.23288	100.0
280.23660	5.2
461.26691	9.1
462.06003	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	462.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83730	8.2
52.94923	8.0
59.01373	39.9
59.09235	9.1
61.98826	30.3
62.20061	8.6
71.01373	15.7
71.44571	8.2
79.88670	9.0
87.00889	23.9
89.02470	12.8
93.77761	8.3
101.02445	14.0
111.45984	8.5
112.98825	12.6
115.00393	13.7
121.02994	10.0
125.02457	19.0
133.02969	18.9
135.04532	100.0
136.04909	10.2
149.00923	38.7
149.06073	10.3
151.00346	9.9
152.07162	53.0
161.02432	29.5
163.24004	8.0
175.02428	24.9
179.03503	24.7
188.24562	9.0
248.09207	19.2
249.09996	18.1
264.12350	90.3
286.10806	34.9
299.91257	8.8
301.03589	14.4
342.96567	9.4
377.39426	8.2
462.14920	13.3
463.08960	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	462.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83055	0.8
59.01378	15.3
61.98828	100.0
69.39975	3.5
71.01374	3.5
73.02941	9.4
74.52470	0.9
74.52878	0.9
83.01400	1.9
83.92279	0.9
85.02953	1.1
89.02433	1.9
90.39867	0.9
98.22610	1.7
101.02435	7.0
113.02449	3.2
116.92854	1.0
119.03406	1.1
140.43356	0.9
161.04544	1.9
176.41617	0.9
241.91011	0.9
250.43539	1.0
301.03491	1.1
323.27466	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	22.7
61.98830	100.0
65.70240	1.7
69.59717	1.9
71.01391	2.2
74.02452	2.4
78.64503	1.9
81.05475	1.9
85.30423	2.5
99.92556	2.3
101.02428	2.8
136.31879	2.0
160.50842	2.2
160.84134	2.1
212.51161	2.0
217.61406	2.2
341.75110	1.9
369.20074	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	462.1915
Annotation	4-hydroxy Nonenal Glutathione
Peak:m/z	Relative Intensity
58.02960	5.4
59.01371	3.3
71.01375	2.4
74.00186	2.1
74.02467	13.9
75.41459	1.7
86.02468	5.3
87.05620	2.4
99.05649	10.6
107.06161	2.3
109.04105	2.0
112.03986	2.2
127.05089	2.8
128.02690	3.0
128.03545	33.7
135.05620	2.5
140.56461	1.8
141.06734	3.0
143.03537	2.7
143.04617	47.0
145.97253	2.2
146.04582	5.6
153.06622	2.3
160.00777	8.5
167.04584	2.9
177.03365	6.3
179.04601	8.9
197.05698	2.4
210.08905	8.5
217.00272	2.4
254.07822	13.6
272.08875	19.5
273.07993	2.0
288.06561	7.9
300.02554	2.6
301.03842	2.2
306.07651	100.0
307.07883	4.2
462.19009	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	462.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25375	2.1
54.50859	2.3
57.40121	2.5
59.01372	6.4
61.98830	12.7
63.50982	2.5
69.30579	13.4
82.58826	2.3
91.43746	2.9
96.96013	10.7
98.21857	5.5
102.05614	4.4
121.02959	8.8
122.03715	10.2
128.03561	6.8
134.59195	2.4
146.04608	7.2
151.06395	8.3
152.07184	48.6
153.07489	3.5
207.67041	2.7
262.17999	4.7
293.21066	10.0
309.20715	17.5
311.22281	100.0
312.22675	5.9
357.07379	5.0
462.28229	10.2
467.22589	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	462.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
57.47285	0.6
59.01374	1.9
59.07065	0.6
60.05169	0.5
61.98840	2.6
62.42915	0.5
69.42660	2.7
87.04527	1.3
97.06590	1.0
112.88359	0.6
121.02962	15.5
122.03735	3.1
123.08167	0.9
125.06094	0.6
125.09735	3.3
127.87049	2.9
141.09219	2.4
141.12854	0.8
143.63892	0.5
151.06389	15.8
152.07178	19.1
153.09195	1.1
155.14436	1.8
157.12320	0.9
159.86026	1.0
171.10277	1.9
199.09732	0.7
200.10533	2.9
217.00226	0.7
239.23520	0.6
247.20648	1.0
249.22177	2.3
262.18002	0.6
265.21686	1.3
267.23233	0.8
275.20087	0.8
293.21219	7.9
309.20740	5.7
311.22284	100.0
312.22537	4.8
418.52115	0.6
462.09619	0.7
462.22183	1.1
462.28653	16.5
463.28973	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	462.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92586	0.3
59.01380	6.3
61.98830	100.0
66.12773	0.3
69.69452	0.7
69.69840	0.7
78.95916	0.9
80.11722	0.3
89.02460	0.4
91.04007	1.6
96.96024	1.3
127.11259	0.4
139.11330	0.5
152.99561	1.6
162.36618	0.4
171.10260	1.6
211.13489	1.0
229.14502	0.7
311.22333	0.5
329.23276	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	462.2859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	6.9
69.06287	4.8
69.50594	9.1
69.50972	8.5
81.09570	5.6
101.06088	100.0
199.78571	4.7
317.21155	36.1
353.46121	5.3
417.75284	4.9
419.28003	65.8
420.28622	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	462.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36649	100.0
69.44206	30.3
73.92191	28.7
94.57127	28.5
98.22554	52.7
132.88484	31.7
140.29944	30.2
160.11259	34.2
242.63048	33.4
306.55435	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10448	16.0
67.48174	15.7
69.28309	100.0
100.89348	16.5
299.52841	17.0
343.85104	17.5
469.78073	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21473	4.4
57.78904	4.3
58.41252	4.8
69.37322	13.6
69.37733	9.7
75.95421	4.6
80.64928	4.2
82.98248	3.9
88.86430	4.7
91.92248	4.8
98.17741	4.7
98.22675	6.9
101.06075	100.0
140.66043	4.2
265.47910	4.7
267.89404	4.6
317.21100	47.1
419.28018	96.7
420.28537	5.7
466.92517	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	462.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75419	0.5
59.01374	0.6
61.98811	1.6
69.55461	1.0
69.55847	1.1
71.65435	0.5
93.03416	0.6
97.06533	0.5
109.04559	0.5
121.02148	0.8
121.02956	12.2
122.03757	2.7
125.09711	3.4
127.86993	1.9
139.11279	0.6
141.09187	1.7
151.06392	12.7
152.05988	0.9
152.07172	18.5
153.09210	1.8
155.14407	2.2
157.12335	0.5
158.18703	0.5
171.10210	1.5
200.10542	2.6
203.34398	0.5
247.20859	0.5
249.22240	2.2
262.18018	0.9
265.21851	1.0
267.23230	1.4
275.20068	1.2
283.22775	1.2
293.21225	6.2
309.20697	5.4
311.22269	100.0
312.22528	4.1
444.27661	0.6
459.16089	0.6
462.28650	17.8
463.29184	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.0
61.98824	0.7
65.00322	0.5
69.23883	0.9
69.24298	1.8
71.01370	0.9
83.01401	0.5
86.61880	0.4
87.00877	0.4
89.02422	1.2
101.02396	0.7
107.01399	1.4
109.02956	1.3
123.00854	0.4
124.01673	2.9
125.02405	1.1
135.00932	0.8
135.04518	0.6
137.02420	3.9
148.01643	0.5
149.04593	0.8
151.00377	9.4
152.01123	0.6
162.99078	0.4
163.00398	1.6
164.01190	2.1
165.01898	0.6
178.99863	8.5
187.04039	0.5
190.99788	0.5
192.00693	0.9
193.01471	1.1
203.03584	0.7
204.04289	1.2
212.67734	0.5
214.02711	6.6
215.03275	0.9
227.03484	1.4
232.03743	0.6
242.02180	6.0
243.03009	3.7
244.03558	0.5
251.22728	0.5
259.02463	6.2
261.03925	0.5
270.01682	7.2
271.02472	40.0
272.02847	1.3
283.10925	0.6
287.01962	22.6
288.02667	2.1
299.02045	0.9
315.01608	0.6
316.02216	100.0
317.02914	22.8
343.08185	2.4
463.08807	79.4
464.09094	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	463.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58775	0.7
65.00316	1.3
75.20562	0.8
75.87768	0.6
83.01388	1.3
86.71444	0.6
95.01567	0.7
107.01395	2.6
108.02171	1.1
109.02959	0.9
121.02949	2.0
135.00937	1.7
148.01672	1.5
149.02371	0.8
151.00380	12.5
159.32303	0.7
163.00375	3.6
164.01190	0.7
178.99854	5.9
185.54877	0.7
187.03873	0.8
190.99940	0.7
199.03938	0.9
201.05542	1.2
226.02673	1.6
227.03453	3.2
228.04373	0.9
229.05022	0.9
243.02962	11.7
245.04599	1.0
254.02234	1.9
255.02991	26.3
256.03439	1.1
271.02469	57.5
272.02948	4.2
273.03726	1.0
283.02463	1.6
294.77597	0.7
298.04654	1.5
299.01974	1.3
299.05112	2.3
300.02731	100.0
301.03500	53.5
302.03702	2.2
341.06302	0.9
342.07080	1.0
343.07324	2.4
463.08783	87.7
464.09137	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	463.0884
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	6.4
61.98825	2.9
65.00331	1.6
68.65968	0.6
69.36279	3.6
71.01376	2.0
73.02962	0.7
87.00914	0.7
89.02463	1.3
93.03480	0.9
97.02953	1.2
101.02443	0.8
107.01424	4.1
108.02179	2.1
108.05875	1.4
109.02968	2.6
111.04544	2.0
113.06098	1.2
119.05050	1.1
121.02970	2.2
122.03786	0.8
123.08177	1.0
125.06076	4.1
130.08684	0.8
133.02911	0.8
133.66672	0.7
135.00850	0.8
135.04507	0.9
135.08023	0.6
137.05972	1.0
138.06863	1.4
139.07689	4.4
148.01669	2.3
151.00388	11.6
151.07661	8.6
152.04884	1.3
152.08392	2.9
153.09229	2.6
161.02466	1.4
161.21448	0.9
163.00407	2.4
163.07620	0.7
169.01443	1.0
178.99837	6.7
183.04440	0.9
199.04063	1.0
201.12859	2.3
203.03592	1.1
203.10793	0.7
204.11525	4.2
211.03987	1.4
216.04329	1.0
219.13890	6.9
226.02606	1.7
227.03593	3.5
236.18713	0.7
243.02977	10.9
245.04474	0.9
254.02219	2.5
255.02974	27.3
256.03424	1.3
258.08582	0.8
263.12869	27.3
264.13177	2.0
265.13550	1.2
271.02478	62.6
272.02924	4.3
298.04782	0.9
299.05026	1.2
300.02728	100.0
301.03500	54.4
301.07053	1.4
302.03891	3.0
341.06763	0.8
343.07471	1.3
425.17993	1.1
463.08798	91.6
464.09201	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	463.0884
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-glucuronide
Peak:m/z	Relative Intensity
51.91947	0.6
57.03428	1.5
59.01376	13.8
68.76637	0.6
69.55679	2.8
71.01388	15.1
72.99297	1.7
73.02953	0.6
74.72445	0.5
75.00867	2.9
83.01388	1.5
84.08716	0.6
85.02947	1.1
87.00876	23.5
91.95126	0.6
98.21883	0.6
99.00868	1.1
109.02940	1.9
113.02456	0.9
115.00373	46.8
116.00722	0.6
121.02974	1.0
123.04513	1.3
125.02442	14.7
127.00396	1.2
133.02982	1.6
135.02980	5.9
137.02458	2.2
141.57825	0.7
142.99828	0.9
148.01675	1.1
149.02451	2.4
151.00304	1.4
151.04002	0.8
161.02470	2.0
163.00368	1.0
164.01164	1.0
165.01906	3.1
167.03468	0.9
174.01709	0.7
175.02478	100.0
176.01292	1.4
176.02834	2.0
177.01913	5.1
178.02692	2.3
179.03526	2.4
193.01445	1.3
195.03168	0.7
202.99812	1.5
204.00629	2.0
205.01373	2.3
275.82980	0.6
283.06073	1.5
285.04135	0.9
287.05496	1.3
289.07288	2.8
301.03772	0.7
301.07312	1.6
312.31754	0.7
327.05075	13.6
345.06137	2.8
355.04547	0.9
402.81497	0.7
459.86221	0.6
463.08469	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98827	59.6
62.63692	4.3
68.10089	3.7
70.86658	4.2
71.01380	21.0
73.02966	7.2
75.00880	18.9
87.00876	9.0
89.02443	29.5
89.63012	3.8
101.02448	14.4
112.28561	4.0
112.78606	4.3
113.02452	11.0
115.36989	4.4
119.03527	8.1
119.05018	5.1
125.02431	5.9
136.01718	4.0
151.00304	7.7
164.01237	4.8
169.63387	4.0
209.11827	8.1
298.04926	5.9
299.05145	6.3
300.05322	9.3
301.07150	25.3
330.27704	4.6
343.07285	15.5
373.08069	5.0
389.85861	4.5
441.46143	4.3
463.12393	22.5
463.21594	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93510	3.9
58.85740	4.4
59.01374	38.3
62.68551	4.2
63.77053	4.3
82.00935	4.7
112.73392	4.7
115.12974	4.2
136.63631	4.5
142.82434	4.4
163.00398	13.3
178.02769	32.4
181.01526	6.1
183.06639	8.1
193.05008	32.7
196.03799	6.3
200.56479	5.8
211.06120	49.6
226.04810	9.0
241.07176	100.0
283.49658	5.4
329.56476	4.8
389.97659	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	463.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35614	0.6
59.01375	1.5
61.98828	2.5
69.79774	1.5
78.95905	57.4
80.79802	0.5
80.96516	9.9
96.96037	1.0
96.96961	6.4
99.68602	0.5
111.92960	4.2
150.98018	1.7
152.99593	100.0
171.00687	4.7
217.00314	1.4
230.06757	0.7
329.23352	0.7
463.21329	12.7
464.21631	0.7
464.30423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91528	0.7
59.01379	100.0
61.98835	1.7
62.64116	0.7
66.22261	0.6
70.61607	1.0
71.01376	6.4
78.63036	0.7
80.17242	0.8
82.10768	0.6
84.00914	0.8
85.02962	1.3
85.52412	0.7
89.02441	11.5
96.95995	0.7
101.02433	4.8
113.02454	4.9
119.03509	5.7
135.04536	1.1
143.03551	1.6
152.07178	0.9
161.04564	2.7
165.71785	0.7
175.91789	0.9
176.01166	1.6
179.05696	3.3
194.16856	0.8
205.12376	2.6
212.65125	0.7
217.00337	0.9
292.12784	0.8
301.88528	1.0
403.19727	12.2
463.21860	1.4
463.93982	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	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	9.7
61.98822	1.3
63.17573	0.6
63.45098	0.4
71.01389	3.2
71.43252	0.5
72.99321	1.3
73.02951	1.5
75.00872	100.0
76.01204	0.7
83.01347	0.4
85.02933	0.6
87.00853	0.5
89.02458	2.9
101.02437	2.8
103.02879	0.5
113.02468	1.5
119.03538	1.0
150.39076	0.5
156.04634	0.5
161.04568	0.5
179.05730	0.7
241.07324	1.9
242.08012	0.8
270.10605	0.6
388.61664	0.5
394.42780	0.5
403.19946	0.8
417.16934	0.8
419.15799	3.6
420.16727	0.5
463.22006	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59687	3.3
59.01379	100.0
61.98837	20.3
64.02135	3.8
71.01391	16.4
85.02950	4.6
89.02460	31.9
96.96915	4.5
101.02428	9.9
113.02440	8.0
119.03518	12.6
123.96530	3.6
179.05533	5.8
356.09274	3.7
401.05991	4.4
403.19711	9.6
428.51755	4.1
481.58011	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	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44642	0.6
53.93354	0.6
57.03442	1.7
59.01377	100.0
60.01704	1.2
61.98830	35.9
69.40234	2.5
69.40606	1.1
69.89242	0.7
71.01379	32.8
71.15381	0.6
72.99305	0.8
73.02967	1.7
83.01386	1.4
83.71614	0.6
85.02957	4.8
87.00903	1.3
89.02442	49.1
95.01394	1.9
96.95994	4.1
98.21796	0.6
98.95661	0.8
101.02440	16.1
109.02959	1.7
113.02441	16.2
119.03509	20.8
120.01293	0.9
120.51524	0.6
124.37735	0.7
125.02497	0.7
131.03535	2.7
140.62941	0.6
143.03494	4.5
149.04579	1.6
161.04576	5.8
165.09187	7.4
179.05602	20.6
197.06174	0.6
205.12439	0.9
385.18634	0.7
403.19879	1.6
431.61328	0.9
463.21655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01381	11.1
61.98821	2.7
69.18912	6.3
71.01383	11.1
73.02933	1.5
83.01446	1.2
84.33112	1.0
85.02945	2.8
85.70338	1.0
87.00871	2.5
89.02460	1.5
90.45717	1.1
95.01400	1.4
97.01595	1.0
99.00869	2.2
99.04082	0.9
99.51971	1.0
101.02449	4.2
113.02420	3.2
124.01644	1.6
125.02390	1.8
138.08138	1.0
173.90726	1.0
179.25455	1.0
180.36295	1.0
183.48860	1.2
198.52574	1.1
205.93719	1.0
217.00264	2.2
221.19096	13.3
235.82578	1.0
239.20120	2.6
245.35707	1.0
257.21063	1.2
265.17914	8.3
283.19159	13.3
284.19669	1.1
301.20197	18.8
360.27725	1.0
372.57956	1.2
377.12839	1.2
427.23273	6.7
445.24283	3.2
463.25497	100.0
464.25760	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	464.0557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72382	0.4
61.20842	0.4
61.39300	0.4
61.84732	0.5
61.98819	0.9
62.04622	0.4
71.05847	0.6
78.91891	0.5
78.95911	1.1
96.96008	0.8
106.56832	0.5
125.87345	1.2
127.87009	1.5
142.87569	0.7
144.87314	1.0
160.84203	3.7
162.83916	100.0
163.83989	0.6
174.43631	0.6
210.93259	0.5
279.23309	0.7
280.23648	1.3
281.23987	1.7
301.21851	2.5
337.46646	0.5
383.09869	1.2
383.22092	0.8
385.09659	2.2
413.05527	1.0
427.09027	0.7
429.08789	1.8
464.05600	53.3
465.05954	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	464.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98022	9.8
58.02966	17.9
59.01370	7.0
70.65664	4.9
72.00910	4.8
74.02480	33.7
78.29564	3.1
81.29799	3.9
81.75527	3.8
86.02478	14.9
87.05643	4.1
88.04044	4.2
97.04089	5.1
99.05650	26.9
100.00414	3.8
101.07190	4.4
102.05572	5.6
109.04120	3.5
111.05654	3.8
125.03563	6.9
127.05147	9.7
128.03548	86.9
135.05608	5.3
141.06702	3.9
143.04626	100.0
145.06197	7.1
146.01964	23.6
146.04597	12.1
147.02760	66.2
165.03795	8.8
167.04684	3.7
167.08240	6.9
167.30144	3.7
171.04163	4.0
171.07750	16.4
178.43825	3.5
179.04663	23.6
185.05595	3.8
186.06215	3.6
191.01724	33.5
192.07916	4.0
210.08856	19.0
239.12915	5.3
243.62109	3.4
254.07841	35.2
272.08899	69.6
273.09268	5.1
446.10593	3.8
464.11426	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	464.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98829	100.0
69.45789	1.4
71.01390	1.1
75.00879	0.6
78.91897	1.3
84.60493	0.3
89.02452	0.9
113.02487	0.4
125.61751	0.3
142.44591	0.4
157.61279	0.3
208.68828	0.3
265.06375	0.3
271.10876	0.4
272.10907	0.4
380.44382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.1
61.98831	100.0
66.27177	1.0
106.85722	1.0
230.48969	1.1
274.85184	1.1
384.28821	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	13.6
61.98829	100.0
62.99208	2.0
64.81335	2.1
68.85692	2.0
73.02943	2.7
75.91911	1.8
83.07928	2.1
101.02377	2.7
102.05614	8.5
125.87305	3.2
128.03548	3.3
134.03650	2.9
135.04504	5.4
146.04622	2.6
152.14291	2.0
159.09593	2.2
179.03520	5.4
464.04663	3.1
464.26630	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42904	0.5
56.95643	0.5
58.62917	0.6
59.01379	17.4
60.01698	0.8
61.44614	0.5
61.98830	100.0
63.01490	0.6
66.66939	0.6
71.01386	5.7
71.42917	0.7
78.95922	0.7
85.02957	0.8
89.02442	7.6
90.02794	1.0
96.95997	3.5
96.96952	1.4
101.02421	4.5
113.02480	1.8
114.09407	0.6
119.03497	2.9
141.05591	1.4
143.03500	0.7
153.97836	0.5
155.03534	1.3
161.04614	1.1
162.83948	0.7
166.09500	0.6
174.25717	0.6
179.05641	2.8
243.08775	2.3
265.51697	0.6
405.21411	2.6
469.68607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80521	3.8
59.01377	89.7
59.08858	3.9
61.70963	4.5
61.98824	77.4
69.21001	21.9
71.01388	37.2
73.02949	28.6
85.02943	10.7
87.00877	11.5
89.02431	32.5
101.02437	58.6
103.04000	21.1
110.33801	4.1
110.34697	3.5
113.02508	7.0
115.04014	8.5
119.03510	9.9
131.03491	7.1
143.03481	11.1
145.05148	7.3
163.06120	100.0
173.77872	4.4
205.07089	30.4
209.11745	4.5
265.09277	14.7
421.20831	57.0
464.22229	5.5
465.26965	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	464.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10836	0.5
52.82013	0.5
61.98832	100.0
69.06020	2.4
69.06433	1.1
78.95901	0.7
91.23915	0.6
93.98177	0.6
95.83376	0.6
131.61549	0.5
146.34862	0.6
152.99637	1.6
371.31287	0.6
422.01129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
58.67145	0.5
61.98832	0.7
62.03125	0.5
66.56297	0.4
69.72315	1.0
69.72687	0.6
77.44644	0.5
78.95901	5.9
128.29004	0.5
144.08339	0.4
152.99693	0.6
154.02690	1.1
161.41470	0.5
194.98946	0.5
210.05409	0.9
228.06456	2.0
232.22121	0.5
253.21735	100.0
254.22055	4.0
265.63077	0.4
398.02609	0.5
402.39038	0.5
439.31680	0.5
464.27814	10.5
465.27689	0.5
467.98090	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1035
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
55.59475	0.8
56.45904	1.0
57.03438	8.8
59.01361	3.2
61.38050	1.0
65.00323	2.4
69.28426	5.1
71.01383	1.9
83.01395	6.4
87.00862	1.2
89.02493	1.2
95.01393	1.7
96.02181	1.4
99.26672	1.1
101.02438	1.1
104.41518	0.9
107.01376	3.9
109.02967	2.5
112.98795	4.3
113.02477	0.9
121.02940	1.9
123.00882	1.1
123.04506	4.0
124.01651	5.2
125.02448	100.0
126.02753	1.9
133.02963	2.2
135.04510	1.9
137.02425	6.2
139.04008	1.2
147.04486	1.7
149.02454	6.1
150.03217	2.6
151.00351	14.9
151.04028	6.2
152.01164	13.1
153.01950	13.6
155.10840	1.0
161.02353	1.3
171.04463	1.5
174.03152	3.6
175.04012	21.6
177.00435	1.7
177.01927	24.5
178.99849	13.7
179.03435	1.7
180.00414	1.3
181.01410	3.1
188.04765	2.8
189.05551	5.1
193.05038	1.5
199.04027	11.8
201.01917	2.4
213.05530	2.5
216.04193	2.8
217.05080	14.1
231.06552	1.7
236.34276	0.9
241.05118	8.8
242.71471	1.0
243.02943	1.7
257.04639	2.1
259.06030	6.1
259.11804	1.5
275.05551	7.1
284.88644	1.1
285.04044	75.9
286.04410	3.8
293.02838	1.1
303.05109	59.8
303.08420	2.6
304.05338	2.0
311.85553	1.0
312.20120	1.0
327.04828	1.2
332.82309	0.9
334.38229	1.0
414.20117	1.1
447.08859	1.0
465.10306	63.0
466.10855	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	465.1036
Annotation	Taxifolin 3'-glucoside
Peak:m/z	Relative Intensity
57.03445	10.9
59.01371	4.1
61.98773	0.7
65.00335	2.0
70.06374	1.7
70.06703	1.5
71.01369	3.1
72.48405	0.7
73.02946	1.2
77.24587	0.6
83.01380	5.3
85.02939	1.2
87.00854	0.8
89.02444	2.1
95.01382	2.4
96.02145	0.9
98.21990	1.0
101.02422	1.9
105.03504	1.0
107.01395	2.9
108.02131	0.9
109.02951	3.3
111.00877	1.6
112.98792	2.1
113.02459	1.2
114.04556	0.7
116.57916	0.8
121.02931	2.0
123.00877	1.8
123.04527	2.0
124.00834	1.0
124.01667	7.8
125.02445	100.0
126.02736	1.7
128.67152	0.8
133.02948	2.7
135.04520	1.4
137.02429	3.3
139.00369	1.2
139.03998	1.2
146.03804	1.0
147.04533	1.6
149.00887	0.9
149.02400	4.8
150.03223	2.1
151.00369	9.6
151.04018	5.3
152.01170	18.1
153.01938	6.7
158.82542	0.8
161.02458	1.4
161.06036	1.2
165.05545	0.8
169.01343	0.7
172.05270	0.8
173.05949	1.0
174.03223	1.5
175.03998	5.0
176.01093	1.8
177.01956	4.2
178.99840	6.2
179.03522	1.2
180.00591	1.8
181.01401	2.0
181.90950	0.8
187.04002	1.3
188.04782	2.4
189.05602	4.2
191.03540	1.3
193.05043	3.1
199.04007	1.3
201.05460	1.0
203.07152	0.9
213.05426	0.9
215.07147	1.8
217.05023	9.7
231.06610	1.9
241.05042	1.2
257.04398	1.0
258.05203	1.1
259.06113	12.0
274.04541	1.8
275.05603	10.4
284.03241	1.1
285.04034	28.8
286.04492	0.9
288.06473	1.5
303.05139	10.8
303.08557	1.8
392.64218	0.7
421.11160	1.7
437.10840	18.1
438.11426	1.5
447.09427	7.8
465.10345	83.2
465.27023	3.4
466.10767	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	465.1037
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03447	7.9
59.01383	5.7
61.98837	2.7
65.00323	3.1
66.06451	0.9
69.75596	3.2
71.01371	1.0
78.91895	1.0
81.03450	1.5
81.99692	0.8
83.01386	6.6
83.01845	1.2
83.83826	0.8
87.00893	1.0
93.03455	1.6
96.96016	1.3
97.02950	0.8
107.01398	5.8
109.02935	3.4
110.00118	0.9
112.04302	0.8
112.98782	2.4
121.02949	1.9
123.04520	6.4
125.02444	92.8
126.02799	1.9
127.07669	1.6
133.02956	3.2
135.00949	0.9
135.04543	3.8
137.02440	2.4
139.04007	2.5
147.04463	1.4
149.00949	2.5
149.02435	9.2
150.03247	2.1
151.00377	31.2
151.04021	2.9
152.01152	3.7
153.01939	19.1
161.02415	2.6
163.00356	6.2
165.01915	1.4
167.03461	2.5
171.04544	1.9
171.06656	1.4
174.03169	2.2
175.03979	14.1
176.01189	5.2
177.01927	22.1
178.02272	0.9
178.99878	15.0
179.03511	3.2
181.01387	3.3
188.04845	1.2
189.05553	3.1
191.03510	1.3
199.04016	6.6
201.01941	2.9
213.05574	1.7
215.03505	1.5
216.04338	0.9
217.05052	10.0
231.06610	1.0
241.05058	6.7
257.04541	3.2
259.06049	4.5
267.02725	1.1
275.05582	8.2
284.03290	2.1
285.04037	100.0
286.04303	5.6
303.05090	98.0
304.05414	5.1
341.05072	2.9
342.05725	1.3
345.06140	2.4
358.82602	1.1
447.09338	3.4
465.10229	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	465.1036
Annotation	3,4,5,2',4',6'-Hexahydroxychalcone 2'-glucoside
Peak:m/z	Relative Intensity
57.03447	6.6
59.01358	2.8
61.98835	1.3
63.02379	1.2
65.00321	3.9
70.75002	1.7
83.01384	5.0
87.00879	1.9
93.03454	1.5
97.02982	2.1
107.01402	6.9
109.02952	4.6
111.91263	1.0
112.98796	1.2
121.02924	2.0
123.04508	4.8
124.01672	2.0
125.02446	100.0
126.02820	1.2
133.02986	1.8
135.04483	4.7
137.02483	4.6
139.04002	3.5
147.04475	1.0
148.01668	0.9
149.01140	1.8
149.02422	12.5
150.03265	1.4
151.00368	32.2
151.01549	2.1
151.04022	3.7
152.01108	2.7
153.01938	26.4
161.02437	2.6
163.00323	2.1
163.04051	1.2
165.01932	1.5
167.03514	2.9
173.06058	0.9
173.33241	0.9
174.03210	1.7
175.00330	5.0
175.03975	12.2
177.01918	19.1
178.98346	1.8
178.99838	17.4
179.03444	5.2
181.01428	11.1
188.04791	2.3
189.05525	4.5
191.03508	2.6
193.01534	1.2
195.02933	3.1
199.04074	5.0
205.01524	1.2
210.26027	0.9
213.05460	1.4
216.04414	1.2
217.05042	4.9
231.06587	1.6
236.81795	1.2
239.07112	3.5
241.05057	6.5
256.03699	1.0
257.04568	1.3
259.06122	3.6
264.06119	1.0
265.04898	1.2
275.05603	21.0
285.04025	57.0
286.04376	2.7
299.05505	6.5
303.05093	91.7
304.05554	4.5
309.04153	1.6
313.05618	1.5
327.04968	2.4
341.04999	6.4
343.06760	6.3
437.10736	2.2
447.09344	3.5
465.10440	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	465.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.9
71.01373	18.0
78.95944	7.0
82.32401	5.3
89.02454	17.1
96.96050	5.9
119.05058	6.9
125.02428	17.0
130.08731	21.4
135.04524	21.6
151.00452	7.7
161.02448	17.0
167.98497	5.5
180.06712	7.1
191.05571	8.4
251.55142	5.6
255.08736	5.4
293.08832	38.1
295.61124	6.5
303.05087	7.4
303.16263	7.6
464.22610	10.5
465.11646	100.0
465.22708	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1167
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	12.8
64.42052	5.4
70.42530	11.6
71.01363	18.9
72.99313	9.6
73.05640	5.4
77.45685	5.2
78.95875	5.6
89.02446	40.7
111.00907	8.2
125.02428	13.6
133.01419	17.0
135.04498	26.4
139.24181	6.3
149.04584	18.6
220.94797	5.9
293.08801	50.4
390.29156	6.2
429.14255	8.8
465.11679	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	465.1402
Annotation	Globularifolin
Peak:m/z	Relative Intensity
57.03421	1.6
59.01377	5.7
61.98818	0.7
65.00324	0.7
68.99789	0.5
69.03430	0.6
70.39776	1.2
71.01373	2.0
72.99303	0.7
81.03461	6.6
83.01391	4.0
87.00867	0.7
87.52100	0.5
89.02455	2.0
95.01359	0.8
99.84929	0.6
101.02441	1.4
107.01369	1.3
107.77322	0.5
108.02171	3.7
112.98804	1.2
121.02951	1.1
123.04525	26.4
124.01639	1.1
125.02441	12.5
134.03755	3.0
135.04527	3.6
137.02455	0.7
138.03195	0.8
149.02406	1.9
149.06081	3.6
151.00359	6.6
152.01186	1.6
161.02440	1.6
166.02727	12.2
167.03497	62.3
168.03882	1.2
179.03505	9.0
179.04945	1.1
191.03503	0.8
219.06625	0.6
259.09711	0.9
270.05270	0.6
288.06396	1.9
303.08728	100.0
304.09052	3.7
327.08704	0.7
376.20175	0.6
427.19928	4.2
463.30145	0.6
465.13977	1.9
465.27115	4.3
486.91333	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	31.7
61.96913	19.0
69.13098	100.0
73.03020	17.9
75.79773	21.6
174.36971	20.2
215.62334	19.5
325.54626	19.6
353.55804	20.9
465.15280	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	28.9
59.57875	1.1
65.63792	1.3
72.25343	1.2
78.95885	2.9
96.95995	1.3
141.01697	15.4
144.11655	1.4
162.83925	12.1
164.83586	4.3
170.12616	1.2
201.44643	1.2
301.21722	100.0
302.22064	6.5
311.22208	4.2
383.22052	96.1
384.22372	6.4
395.57251	1.5
465.05768	6.7
465.32101	2.4
466.05505	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	465.234
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77709	1.0
57.03453	3.1
58.77116	1.1
59.01378	100.0
61.98829	25.4
68.99818	3.2
69.03442	1.3
69.94391	3.3
70.96022	1.0
71.01382	18.6
72.55614	1.0
73.02962	1.7
80.73450	1.1
80.91698	6.4
85.02958	5.5
89.02442	29.0
95.01391	2.8
96.96035	3.3
97.02998	1.2
101.02441	23.5
113.02464	10.4
119.03508	12.9
123.04537	3.4
127.03955	1.7
134.26210	1.1
135.04523	3.2
136.04005	1.4
141.05583	7.4
143.03513	3.8
148.90926	1.5
149.04587	1.6
149.09741	1.3
155.03526	8.1
161.04535	9.0
167.10777	2.4
179.05586	9.9
243.08736	14.1
243.15935	7.1
248.96094	1.2
345.05780	1.3
367.15826	1.2
380.42056	1.2
396.08966	1.4
405.21268	31.6
426.98703	1.2
428.98450	1.9
465.17361	2.1
491.60687	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	465.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55778	2.6
57.03453	4.4
59.01380	72.4
61.98831	100.0
69.39216	2.6
69.52051	10.9
70.44359	2.4
71.01381	20.8
82.95431	3.3
85.02939	5.9
86.91328	2.6
87.00838	3.7
89.02458	27.1
96.96014	4.5
98.22578	5.7
99.92625	2.7
101.02445	16.9
103.72432	2.2
112.98852	3.1
113.02459	7.0
116.92854	8.6
119.03503	10.3
124.70532	2.5
135.04527	7.1
161.02437	3.2
161.04529	4.4
179.05661	4.9
199.49277	2.5
201.67180	2.5
243.15939	5.5
280.58664	2.3
328.10587	2.4
405.21313	59.0
406.21597	3.7
440.58829	2.7
452.77423	2.9
465.19327	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10892	1.2
56.01408	1.2
56.22276	1.4
59.01384	100.0
61.98835	19.8
63.30706	1.3
66.91971	1.3
69.08916	8.9
69.27688	1.5
71.01392	7.8
74.85076	1.4
78.95924	3.6
89.02451	13.9
96.96039	1.5
96.96927	1.6
101.02431	5.0
113.02422	2.4
115.05616	1.3
119.03499	6.4
123.73879	1.6
133.43658	1.4
150.94510	1.4
161.04546	2.2
179.05614	4.7
229.90672	1.5
276.90652	1.4
304.33127	1.6
405.21149	4.8
413.39545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
59.01386	0.8
61.98820	1.7
65.59187	0.8
66.69217	0.7
76.06914	0.7
117.03472	17.1
119.04991	3.2
121.03048	0.8
136.24773	0.8
145.02957	99.9
146.03305	2.7
147.04463	0.8
163.04028	1.9
173.63647	0.9
238.31160	0.8
259.17422	0.8
287.20041	1.3
289.21643	3.9
328.27560	0.8
447.60873	0.9
465.26431	100.0
466.26639	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	465.2644
Annotation	Ramiflorine A
Peak:m/z	Relative Intensity
55.08324	0.3
55.68259	0.3
57.03437	1.3
61.98832	0.9
69.66920	1.0
71.05022	0.4
83.05022	0.8
117.03469	17.2
118.04319	0.5
119.05013	2.3
121.02950	0.9
125.87375	0.5
127.87080	0.4
131.80977	0.3
132.05792	0.4
142.87547	0.4
145.02954	95.1
146.03279	2.0
147.04503	0.4
160.84216	4.6
161.84256	0.6
162.83913	7.9
162.85277	0.7
163.04051	2.1
204.88614	0.3
259.16949	0.3
271.17166	0.7
272.27774	0.3
281.30948	0.3
287.20331	0.7
287.42380	0.3
289.21689	5.8
303.19525	0.5
385.24396	0.4
435.25067	0.7
465.04449	3.6
465.26422	100.0
466.03586	4.0
466.26849	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	465.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03439	1.4
59.01383	18.8
61.98829	1.8
69.95025	1.5
71.01378	12.3
71.05035	0.7
72.99301	0.8
73.02946	6.1
83.01380	4.0
85.02952	7.0
86.00093	1.3
87.00864	1.1
89.02441	3.7
95.01367	1.2
97.86625	0.7
99.00880	1.8
101.02444	12.5
113.02462	4.6
113.09715	1.6
119.03437	0.9
126.98452	0.7
143.10776	2.8
161.04564	1.1
174.27570	0.6
285.20685	6.3
303.21829	4.9
337.37488	0.9
365.43707	0.8
447.26025	9.6
465.27051	100.0
466.27386	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	465.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.92886	1.2
57.03466	1.6
59.01381	53.0
61.98829	2.7
68.75299	1.2
70.87345	2.0
71.01382	12.2
73.02940	5.8
83.01379	3.9
85.02943	6.0
87.00880	1.6
89.02428	2.4
96.96019	1.6
101.02439	13.9
113.02427	5.8
149.04259	2.6
155.09874	1.3
161.04514	2.0
165.06699	2.7
181.06247	1.4
189.23816	1.3
198.63077	1.8
225.05237	3.1
253.04602	8.8
271.05719	4.8
339.15540	1.4
435.69257	1.3
447.26053	1.7
465.27032	100.0
466.27454	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	465.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04284	0.5
55.01865	0.7
57.03439	1.1
57.26298	0.6
59.01383	14.5
61.98826	0.9
70.99718	0.8
71.01380	7.7
72.99299	0.6
73.02942	2.2
82.76572	0.6
83.01389	1.4
85.02931	3.9
87.00883	1.6
89.02439	2.7
95.01390	1.2
99.00887	0.9
101.02447	5.9
111.00850	0.9
112.98811	2.3
113.02462	2.6
114.76699	0.7
119.03510	1.1
135.04541	0.7
141.39957	0.6
179.03500	0.7
185.96530	0.7
240.78979	0.6
257.17563	1.9
283.19293	1.0
285.20615	4.0
303.21756	31.2
304.22137	1.9
325.81195	0.7
345.22925	0.9
405.24973	1.6
447.25946	1.6
465.27063	100.0
466.27496	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	465.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
58.69117	0.7
59.01374	9.2
60.03789	0.6
64.97440	0.6
71.05029	0.7
71.44118	0.8
78.95885	1.8
79.63194	0.7
79.95745	0.7
82.54576	0.6
96.35506	0.6
96.95979	0.6
97.06606	1.1
123.08141	0.9
125.09727	10.1
127.11294	2.9
139.11353	3.6
141.01695	4.5
141.12869	0.7
143.10794	1.0
153.09190	2.2
155.10762	2.1
157.12410	0.8
162.83905	6.7
164.83614	3.7
167.10783	6.2
171.10274	21.2
183.10229	1.0
185.11812	2.0
187.09772	3.8
214.12100	1.9
214.97055	0.8
254.10530	0.8
267.23276	1.3
275.20218	1.5
293.21213	12.7
301.21719	36.7
302.22101	2.3
311.22269	100.0
312.22662	4.7
383.21991	27.7
384.22479	1.5
404.92239	0.7
447.31226	1.7
465.05759	4.6
465.32053	7.4
466.05450	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	465.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43241	32.2
69.80157	29.7
69.80506	100.0
105.33687	28.6
116.85102	27.0
122.85214	27.6
168.40471	26.9
169.61530	26.7
224.83105	30.2
300.31024	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	465.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
68.84295	41.0
69.60369	99.8
69.60757	100.0
81.39073	42.1
89.07561	44.3
98.46539	49.5
110.40587	50.5
160.84227	50.3
162.83882	66.5
198.85028	50.7
406.30634	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	466.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.5
60.97520	2.2
61.98819	1.7
83.50890	0.5
113.00705	0.8
153.18443	0.7
165.09129	0.6
174.56421	0.5
199.19037	0.5
227.14490	1.6
235.15314	1.3
245.15486	0.9
261.13153	11.0
262.13419	0.6
271.15527	1.4
273.16858	1.7
287.11136	11.1
288.11490	0.6
289.14371	1.1
299.14792	2.2
305.12155	13.7
306.12555	0.6
317.15634	2.7
325.12695	4.0
333.15219	2.1
335.16858	1.5
343.13721	11.8
345.16901	3.7
361.14795	47.4
362.15182	3.2
466.19040	100.0
467.19299	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	466.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.7
59.01380	99.5
60.01715	9.5
60.19743	0.7
61.98830	100.0
63.99257	1.1
69.32412	1.6
69.32806	1.7
71.01376	6.4
72.01704	0.8
85.02968	1.1
88.15279	0.7
89.02439	9.2
90.02804	1.0
96.96004	5.7
101.02446	3.6
102.02801	0.9
113.02425	2.9
119.03501	5.7
119.04962	0.7
136.03986	1.8
143.03432	1.0
152.07124	0.8
161.04573	0.9
179.05635	4.9
180.05849	1.4
184.76607	0.8
223.06018	1.5
244.08936	1.1
389.30838	0.7
392.21027	0.8
406.21567	4.5
466.12656	0.8
466.23181	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.4
59.01376	27.2
61.98839	20.9
70.13353	5.8
70.29375	2.2
71.01382	28.5
73.02943	8.5
83.01379	4.2
85.02936	13.0
89.02448	7.0
89.97118	2.2
97.65643	2.3
97.87721	2.2
98.22567	3.8
101.02435	21.6
111.00890	3.2
113.02445	7.0
116.41083	2.5
122.75108	2.5
131.03493	5.7
161.04517	4.3
243.44853	2.4
265.31079	2.6
277.16541	3.8
291.15289	3.1
291.18167	19.9
339.45074	2.8
345.49487	2.4
423.22354	100.0
424.22769	6.9
424.68811	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	466.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98832	100.0
64.53533	0.3
69.38228	1.0
78.95919	1.1
90.18707	0.3
98.21866	0.5
100.30886	0.3
103.92047	0.6
117.35892	0.3
121.31391	0.3
122.89493	0.3
125.87385	0.6
152.99608	1.0
163.66548	0.3
171.10239	0.4
172.69608	0.2
228.93712	0.6
239.47420	0.3
267.16620	0.3
315.50912	0.3
378.23047	0.3
414.81769	0.3
430.08746	0.9
434.51501	0.3
439.00702	0.3
440.18668	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51321	0.4
61.98825	1.1
64.20819	0.4
69.14545	3.4
74.96506	0.4
75.73168	0.5
78.95905	18.0
96.11600	0.5
97.63402	0.5
98.22666	1.0
103.10738	0.6
110.30058	0.6
147.49529	0.5
152.99579	2.0
154.02782	4.1
210.05363	7.9
226.99806	0.5
228.06444	2.1
228.59915	0.5
255.23294	100.0
256.23654	4.6
466.29367	32.3
467.19330	0.7
467.29108	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	466.2941
Annotation	1-heptadecanoyl-glycero-3-phosphoethanolamine
Peak:m/z	Relative Intensity
52.73356	1.3
61.98817	1.4
78.95902	16.5
114.68874	1.6
118.83067	1.4
133.79352	1.6
140.01181	4.9
152.99619	1.8
157.78714	1.4
196.03815	10.2
214.04822	2.3
269.24850	100.0
270.25226	4.0
311.84125	1.7
342.92953	1.6
466.29391	34.8
467.18640	1.7
467.29306	2.4
474.11710	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.2
59.01384	4.6
61.98807	1.2
69.41939	1.8
69.42343	1.0
71.01391	1.4
72.99279	0.7
82.95414	2.4
83.05025	4.4
84.99305	2.5
85.02943	0.9
87.00867	4.2
98.22628	1.2
99.04531	0.8
101.02444	1.1
109.02953	1.5
109.06604	0.6
111.00909	0.7
111.08160	40.5
112.08497	1.4
112.98808	20.3
116.10560	0.6
125.02443	0.6
129.09196	1.8
133.02934	2.1
134.03734	1.9
135.04529	22.9
137.02451	0.7
139.00351	1.2
149.00917	0.9
157.26231	0.6
160.06409	0.7
161.02469	4.1
161.07253	1.8
162.57700	0.6
163.04002	1.9
173.08188	100.0
174.08551	2.1
175.08784	0.9
179.03505	11.3
181.73137	0.7
189.06671	2.4
191.03526	1.4
203.08131	1.1
219.03020	6.0
229.09805	0.7
231.03122	1.2
275.02029	0.7
293.03012	8.3
305.08759	32.6
323.12567	3.6
467.28583	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	467.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16276	26.1
60.37407	25.3
69.27003	54.4
69.27404	100.0
98.21863	53.3
101.07166	24.3
111.78652	27.0
125.02501	30.6
135.04514	30.0
178.38344	26.9
239.00777	27.6
273.97943	27.4
293.08618	29.3
467.12469	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	43.2
59.01382	32.0
64.88282	1.2
70.51650	1.8
71.01400	6.2
86.33896	1.2
89.02464	4.5
99.04517	18.5
101.02445	10.9
122.34595	1.4
123.66086	1.3
125.02471	9.2
145.07718	4.9
156.27802	1.3
160.06429	14.1
161.04565	11.8
161.07216	37.6
166.60352	1.3
171.10361	1.7
173.10886	2.0
175.08748	31.7
185.10849	2.0
187.08788	4.0
189.06703	77.5
190.07103	2.6
201.10324	6.4
203.08272	35.0
203.11896	8.6
217.09853	1.4
229.09818	19.6
277.11899	3.6
277.76495	1.2
305.11417	62.6
306.11859	3.4
323.12473	100.0
324.12720	5.0
365.13495	13.2
366.13321	1.8
405.16443	2.9
467.16504	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	467.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.1
57.03449	26.2
59.01382	31.6
59.68577	1.0
61.98829	12.0
68.83216	1.0
71.01376	7.5
75.42408	1.0
78.91877	2.1
80.91693	5.9
82.95402	3.3
87.00872	1.3
89.02431	5.1
99.04521	16.7
101.02431	9.1
111.08182	3.0
112.98805	2.9
116.92896	1.2
125.02480	8.1
135.04459	2.1
141.00432	1.2
145.07692	3.4
160.06435	14.1
161.04576	7.8
161.07205	43.3
168.85147	1.2
173.08215	8.3
173.10834	1.5
175.08762	23.0
185.10823	1.2
187.08783	4.6
189.06700	74.0
190.07007	2.1
201.10362	8.4
203.08266	28.3
203.11826	6.6
229.09818	16.3
267.68192	1.2
277.11765	1.5
305.08768	2.0
305.11456	37.2
306.11856	1.7
311.10291	2.5
322.05472	1.2
323.12473	100.0
324.12823	5.0
331.80698	1.1
365.13718	6.1
407.15228	2.0
467.28519	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.25637	6.2
74.02478	1.1
98.22633	1.7
103.20926	1.0
107.49168	1.0
110.85397	1.0
111.98502	1.1
122.01992	0.9
125.03550	1.5
134.03746	21.2
135.04495	3.1
149.06070	14.0
165.06670	1.8
168.06964	0.9
169.85844	0.9
176.03528	25.0
177.04312	52.6
178.05034	3.4
181.06204	1.8
189.04314	1.1
192.06660	100.0
193.06969	3.2
201.11317	2.2
216.06641	1.1
225.05118	4.3
227.06900	1.2
253.04643	12.2
260.09152	1.2
271.05725	6.5
274.10831	26.0
317.11392	1.7
467.10791	1.1
467.17499	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	467.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	8.4
69.43745	4.0
69.44122	5.2
71.01382	27.6
73.02952	15.5
75.72368	2.4
80.91692	6.7
82.95411	23.8
83.01397	4.3
85.02939	8.7
87.00869	4.5
89.02453	36.8
100.82663	2.4
101.02441	38.4
103.04012	10.5
113.02470	11.4
115.04025	3.1
119.03503	14.3
126.09936	2.3
131.03517	5.2
135.04561	2.6
143.03508	4.2
145.05081	3.2
150.81485	2.5
161.04564	4.0
163.06113	39.1
171.10272	33.9
179.05629	6.9
186.63446	2.4
205.07156	11.6
225.05309	2.4
253.04625	3.9
253.09225	4.3
257.26923	2.6
261.13345	11.8
283.06122	6.8
311.05591	14.9
407.19244	62.9
408.19571	3.8
431.09872	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	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	5.2
59.01382	100.0
59.61978	1.1
69.76941	3.9
71.01379	23.0
73.02559	1.8
73.02951	24.5
83.01393	2.3
85.02944	9.3
86.00134	1.7
87.00866	5.9
87.04503	3.6
89.02454	30.2
92.55043	1.2
99.04506	4.2
101.02444	45.6
103.04015	15.9
107.01120	1.2
108.29053	1.1
113.02444	6.1
115.03991	8.0
119.03494	11.4
125.02450	4.2
131.03497	7.7
143.03523	10.7
145.05042	5.2
160.06483	1.5
161.04526	3.1
161.07259	6.3
163.06125	60.1
169.74353	1.4
171.10211	2.0
175.08760	2.8
179.05588	4.6
189.06686	10.7
203.08226	3.3
203.12024	1.4
205.07170	18.2
229.09743	3.5
255.90518	1.4
261.13425	2.3
265.09280	7.8
275.14868	1.4
277.11691	1.5
305.11441	8.8
307.09647	1.3
323.12436	16.0
407.19208	36.4
408.19223	1.4
467.28409	2.5
471.24918	1.6
477.80957	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	35.0
59.01379	100.0
60.01738	1.8
61.87767	2.0
62.67815	1.9
69.38297	5.9
71.01380	24.4
73.02943	20.6
83.01428	2.9
85.02962	8.3
87.00872	4.2
89.02439	21.7
93.22657	2.0
98.22595	4.0
99.04520	18.3
101.02441	41.1
103.04023	9.7
103.75555	1.8
113.02467	4.6
115.03976	4.5
119.03506	8.3
125.02478	9.8
131.03499	5.9
143.03499	8.0
145.05034	5.4
145.07689	4.1
160.06450	11.1
161.04564	12.1
161.07201	34.7
163.06129	44.5
171.10263	8.4
175.08749	22.5
179.05638	3.5
182.41252	2.0
187.08731	5.6
189.06686	67.4
201.10291	6.5
203.08253	28.9
203.11864	6.6
205.07188	13.8
211.69795	2.1
229.09763	17.1
259.02411	2.9
265.09235	5.3
275.14969	3.5
277.11847	4.4
289.07428	2.5
304.09311	4.0
305.08148	3.6
305.11435	54.3
306.11810	2.8
323.12460	97.8
324.12741	5.0
365.13516	11.8
385.36896	2.0
405.16660	2.3
407.19174	39.9
408.19431	3.8
467.16199	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	467.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.0
57.03439	2.2
59.01381	54.4
60.28448	0.6
61.98830	3.8
69.88454	0.6
69.88772	1.0
71.01384	27.3
73.02564	0.8
73.02953	14.5
80.91681	1.8
81.03455	0.9
82.95401	0.6
83.01389	8.9
85.02950	15.0
86.00126	0.5
87.00879	1.1
89.02441	3.5
95.01389	2.2
97.02956	1.3
99.00871	4.3
99.08138	0.7
101.02444	32.6
103.04019	1.6
111.00845	0.7
111.08166	0.7
112.12982	0.5
112.98857	0.6
113.02456	12.1
125.02425	1.6
135.04546	0.7
143.03467	2.0
145.05080	0.6
159.02972	3.3
161.04564	13.7
163.06117	1.1
229.07106	0.7
253.72438	0.6
261.13431	49.2
262.13831	1.9
407.19220	100.0
408.19556	5.4
451.11288	0.6
452.12100	0.6
467.14529	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	467.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46702	1.9
56.44394	1.8
57.03453	1.9
59.01379	100.0
61.98830	14.5
62.56281	1.8
68.03172	1.9
69.14587	9.4
71.01381	54.0
73.02954	10.9
85.02960	7.8
87.00886	4.9
89.02441	78.8
101.02447	39.0
113.02434	11.3
119.03458	5.6
125.02450	2.2
131.03510	27.5
149.04552	67.4
161.04630	2.5
171.10263	17.9
191.05643	16.1
377.55911	2.0
391.40002	2.4
407.19263	54.8
408.19644	5.3
446.00681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37121	2.8
61.98806	3.4
62.96379	3.4
67.01890	8.2
69.46401	7.7
77.54194	3.0
78.95913	8.0
84.10355	2.8
85.02953	10.1
98.21936	6.4
111.00882	100.0
129.01933	5.2
138.10608	3.1
152.99561	5.9
166.76093	3.5
188.16887	2.9
239.20210	5.3
247.63986	3.3
293.21106	3.4
311.22253	31.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15920	1.1
59.01362	1.2
61.98821	3.6
64.01405	1.1
65.57380	1.1
67.01889	6.0
81.58259	1.1
85.02954	28.3
94.82980	1.3
96.95978	1.4
105.38652	1.3
111.00883	100.0
129.01936	6.3
137.77766	1.0
139.11295	1.7
158.29582	1.2
171.10274	1.7
181.45062	1.2
224.82855	1.4
253.14122	1.3
293.21121	7.3
311.22269	35.3
361.23776	1.9
370.39594	1.3
423.23938	2.8
432.57928	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02959	11.0
63.86916	5.3
65.46558	5.9
69.05251	5.3
74.02476	29.8
85.04079	5.1
86.02478	18.9
95.34096	5.0
96.05132	6.0
99.05647	26.7
100.00430	6.6
109.04108	6.2
122.01964	25.6
127.05159	7.7
128.03543	85.7
135.02643	7.5
135.05652	6.5
143.04608	100.0
145.06271	8.7
146.04604	7.0
151.05875	38.8
167.08279	8.0
171.07767	29.5
179.04678	34.2
184.57787	6.3
195.04846	10.2
199.07259	11.1
210.08833	19.0
254.07851	40.6
272.08859	74.5
468.14328	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	468.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02979	8.1
58.22850	0.8
59.01373	3.0
59.37642	0.7
61.98838	1.4
66.03481	1.1
69.07745	5.5
71.01379	1.7
72.00905	1.8
73.02965	1.0
74.02480	18.5
77.03958	1.2
82.02978	1.5
86.02476	6.8
86.99091	1.7
87.05636	4.7
90.00191	1.8
95.05053	1.1
97.04084	1.7
99.05645	15.6
101.02457	1.3
101.07212	2.4
102.05621	2.6
105.03457	4.7
109.04072	2.2
111.05643	1.0
111.08155	1.5
112.04053	2.0
112.08508	0.9
112.98823	12.6
116.01776	1.7
116.05031	4.2
123.05652	2.3
124.03996	1.6
125.03568	1.4
127.05142	3.4
128.03543	42.1
133.02951	14.5
135.04506	3.5
135.05664	3.9
137.07213	1.0
141.06708	4.1
143.04622	54.5
144.04936	2.1
145.06165	2.8
146.04620	5.0
149.00937	1.0
153.06720	4.3
160.00758	15.7
160.04051	7.9
161.02475	1.2
166.09843	2.6
167.04681	5.4
167.08244	1.5
171.07782	1.0
173.08208	3.1
174.08495	3.3
175.04031	1.3
175.36757	0.8
177.01910	6.0
177.03389	6.5
179.04651	11.7
181.06183	2.1
185.05696	1.9
197.05743	1.9
198.08833	1.0
202.05089	1.5
210.08850	10.8
239.92087	0.8
242.07751	1.2
244.11891	0.8
254.07796	15.9
272.08878	25.0
272.11804	1.7
273.09222	1.5
288.06598	12.6
306.07645	100.0
307.07855	3.4
394.31512	0.7
468.14685	8.5
494.02698	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.9
60.01704	0.3
61.01790	0.6
61.98829	100.0
70.80539	0.4
71.01385	0.7
82.95400	0.3
89.02457	0.4
96.96020	0.9
105.03463	0.5
112.98808	1.6
114.79544	0.3
117.40076	0.3
119.68304	0.3
133.02957	2.1
137.02460	0.8
165.01933	5.0
165.03220	0.4
175.04050	0.4
177.01933	0.7
179.03603	0.9
180.04288	3.0
180.05589	0.3
195.06618	5.3
207.06683	0.4
210.05338	0.5
225.07669	2.0
226.55121	0.3
251.41469	0.4
332.70123	0.4
421.15128	0.9
462.18845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	27.7
61.98831	100.0
69.48186	15.2
71.01392	21.0
73.02958	15.9
82.95424	14.6
83.01409	3.1
85.02952	11.1
87.00884	4.5
87.04489	3.5
89.02430	7.2
96.95995	3.9
97.11670	3.2
98.21933	7.4
101.02431	26.5
102.05724	3.8
106.56632	3.6
112.98817	3.6
113.02423	6.5
116.05067	20.6
123.04517	6.5
125.02430	5.2
125.87228	4.3
129.10294	4.0
133.02928	6.9
152.07181	5.2
160.04050	27.7
161.04565	8.2
202.05139	3.9
279.14499	28.8
281.09140	3.4
307.16528	15.2
310.03372	4.2
311.10257	13.5
329.11334	6.2
398.00726	3.6
425.20309	49.2
468.15201	8.1
468.28983	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	468.273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89294	2.9
58.85157	2.7
60.89751	2.6
64.27092	2.9
70.97564	4.1
75.52842	2.8
111.17227	2.6
130.65192	2.8
140.55795	2.7
147.14969	2.7
153.22040	2.7
468.27356	100.0
469.27710	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	468.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	3.1
58.42048	1.6
59.01369	3.0
61.98829	2.7
65.06826	1.5
66.74731	1.6
70.65178	2.7
71.86418	1.5
84.04536	4.7
85.58086	1.6
102.05610	74.7
108.90990	1.8
128.03540	52.7
146.04608	39.8
209.19147	1.8
277.25363	4.7
339.25372	10.6
424.30859	2.9
450.28577	4.4
468.29660	100.0
469.29996	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	468.2965
Annotation	Methymycin
Peak:m/z	Relative Intensity
53.05378	0.5
57.03428	1.1
59.01381	1.8
59.95908	0.5
61.69706	0.5
61.98822	1.8
69.70079	1.8
71.01373	0.9
74.02457	1.0
81.07109	3.4
84.04545	3.1
98.21807	0.6
100.04037	0.6
102.05610	85.5
103.05933	0.5
103.71814	0.6
128.03540	59.2
129.03908	0.9
146.04596	39.5
167.14426	0.8
173.86780	0.5
188.82730	0.6
195.17525	4.5
205.75801	0.5
239.16550	1.8
339.25400	8.5
386.99448	0.5
411.44983	0.5
424.30734	2.1
427.99548	0.8
450.28671	4.2
468.29654	100.0
469.29968	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	469.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.69623	0.8
69.73723	1.3
69.74053	1.5
75.76366	0.8
77.03960	5.7
84.99309	6.0
89.03972	1.5
95.05030	7.4
98.21877	0.9
105.03464	25.4
105.04178	1.4
110.04685	1.0
112.19657	0.9
112.98812	79.0
119.05018	3.3
123.04514	2.5
128.98286	2.7
130.04234	1.1
131.05031	0.8
132.02222	1.1
133.02956	100.0
134.03290	2.1
147.04477	5.7
161.02412	1.6
170.52386	0.8
173.02516	1.2
174.03125	2.4
175.04012	9.6
177.01936	34.2
178.02316	1.4
203.03526	2.1
219.03075	1.3
247.02393	1.5
308.99615	1.0
365.94577	0.9
393.19611	1.0
419.80554	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38932	1.7
69.39325	1.7
72.99336	1.0
77.03971	4.2
84.99303	4.7
89.03973	1.1
95.05016	6.0
103.86774	0.9
105.03461	21.4
112.98814	85.3
113.99129	1.2
119.05026	2.6
123.04530	1.4
128.98267	2.0
130.04240	1.8
131.05000	1.0
133.02960	100.0
134.03313	1.7
145.02983	0.8
147.04553	4.9
159.04532	1.8
161.02466	2.0
163.03857	1.2
173.02420	1.7
174.03178	1.0
175.04015	9.8
177.01933	37.7
203.03513	1.7
219.02881	0.9
247.02539	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46477	0.3
58.57929	0.3
59.01376	0.7
61.98830	1.6
66.95924	2.0
69.14233	1.1
69.14651	0.7
71.01388	0.3
80.91686	3.4
81.03461	0.9
82.95415	100.0
83.02518	1.0
83.05030	3.0
84.00896	0.6
95.05040	0.6
95.81774	0.3
96.95994	0.4
99.92583	0.8
100.07677	0.8
100.92609	0.4
105.03466	1.6
111.05668	0.3
112.98804	3.8
116.92851	0.5
123.04471	0.4
133.02960	7.0
138.86969	0.3
141.00462	0.4
143.00189	0.6
147.04550	0.4
160.39018	0.3
175.03908	0.3
177.01942	3.0
199.18138	0.5
220.03789	1.0
235.06277	0.3
243.17087	1.9
265.07324	1.5
294.27933	0.3
306.16425	0.3
353.21021	0.5
409.15741	2.2
469.11331	0.7
469.18301	1.0
469.33932	10.5
470.12247	0.4
470.34558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46477	0.3
58.57929	0.3
59.01376	0.7
61.98830	1.6
66.95924	2.0
69.14233	1.1
69.14651	0.7
71.01388	0.3
80.91686	3.4
81.03461	0.9
82.95415	100.0
83.02518	1.0
83.05030	3.0
84.00896	0.6
95.05040	0.6
95.81774	0.3
96.95994	0.4
99.92583	0.8
100.07677	0.8
100.92609	0.4
105.03466	1.6
111.05668	0.3
112.98804	3.8
116.92851	0.5
123.04471	0.4
133.02960	7.0
138.86969	0.3
141.00462	0.4
143.00189	0.6
147.04550	0.4
160.39018	0.3
175.03908	0.3
177.01942	3.0
199.18138	0.5
220.03789	1.0
235.06277	0.3
243.17087	1.9
265.07324	1.5
294.27933	0.3
306.16425	0.3
353.21021	0.5
409.15741	2.2
469.11331	0.7
469.18301	1.0
469.33932	10.5
470.12247	0.4
470.34558	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
61.98836	1.3
69.25032	0.9
69.25430	2.1
79.82525	0.4
92.95524	0.4
93.91109	0.4
96.96004	0.4
107.05044	1.0
127.29108	0.5
128.66739	0.4
128.75078	0.4
133.02965	1.7
134.03746	100.0
135.04541	29.1
135.05635	0.5
136.04895	0.6
147.04501	0.6
148.05307	3.2
149.06084	79.7
150.06432	1.8
160.01654	0.9
161.06088	1.1
175.02725	0.6
175.04005	0.9
176.03497	4.4
177.04323	0.9
178.05095	6.3
189.04347	0.8
190.05115	1.6
192.06659	4.7
204.06671	7.4
212.57858	0.4
220.86005	0.5
234.07748	1.4
259.10898	3.0
260.09338	0.8
260.11655	2.3
261.09976	0.4
275.13986	5.0
277.11975	2.2
293.15057	0.8
303.09872	4.0
304.10553	2.7
304.13943	0.4
314.11020	0.4
319.12970	57.4
320.13248	2.9
433.10715	0.4
453.16623	0.5
469.19806	29.6
470.19922	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	469.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18946	0.4
55.01874	0.9
55.63481	0.5
57.03448	1.0
59.01381	62.8
61.98821	0.6
67.01890	0.5
69.03447	1.3
71.01382	20.6
72.55729	0.5
72.99319	0.6
73.02947	50.0
75.05812	0.5
83.01391	11.6
83.05029	15.1
85.02956	4.2
87.00868	1.4
89.02451	8.0
95.01398	1.2
95.05048	1.0
96.55097	0.5
97.02930	1.0
99.00874	0.7
101.02444	26.4
105.03467	0.8
111.04517	1.2
112.98811	3.9
113.02464	7.6
119.03490	2.7
119.26401	0.5
125.02481	0.8
125.45177	0.5
126.46301	0.5
131.03485	2.0
133.02954	5.4
135.04453	0.5
137.09801	0.7
140.70459	0.5
143.03503	1.4
149.04538	0.8
153.09198	0.6
161.04611	3.9
163.07626	0.5
165.09097	0.5
177.01895	1.4
179.05615	0.5
182.57451	0.5
185.13341	1.7
187.11253	0.9
189.09233	0.5
203.14412	4.0
229.12309	1.2
247.13422	1.2
271.19144	3.6
409.18671	0.7
410.50079	0.5
423.22430	2.4
427.19580	1.7
469.20773	100.0
470.21140	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
57.03460	2.8
59.01378	42.3
61.16521	1.2
61.98832	2.8
69.69612	2.7
69.70000	2.8
71.01381	39.2
73.02942	21.6
82.95417	15.4
83.01392	7.7
84.73530	1.2
84.99311	1.7
85.02946	19.7
87.00884	1.8
89.02452	8.8
90.73280	1.5
95.01383	3.1
99.00873	7.8
101.02445	51.9
105.03469	5.5
110.57640	1.2
112.98805	15.5
113.02456	19.5
119.05030	1.5
125.02419	1.9
128.03465	1.2
129.01933	1.6
133.02979	18.8
134.03754	16.1
135.04544	4.8
139.90265	1.5
143.03522	1.9
147.04466	1.3
149.04941	1.9
149.06082	14.9
159.02963	3.6
161.04549	17.2
175.04044	1.6
177.01942	7.8
178.05171	1.5
196.07124	1.4
229.09879	1.7
277.16562	100.0
278.16748	2.4
284.41397	1.2
286.44537	1.3
319.12927	8.8
409.20798	96.2
410.20978	4.2
469.19901	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	41.5
61.98806	2.7
64.12551	3.1
71.01383	22.9
73.02953	8.0
83.01416	3.2
85.02959	8.3
89.02456	10.9
96.96001	15.4
96.96947	6.0
101.02444	24.5
106.52833	3.5
113.02457	9.2
113.89677	3.3
122.43044	3.5
127.46101	2.8
131.03499	7.0
161.04510	7.6
202.37062	2.9
220.77632	3.3
277.16568	27.9
409.20776	100.0
410.21268	5.3
469.18707	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	469.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08204	0.8
55.01872	3.4
57.03447	2.9
59.01380	88.1
64.61263	0.8
69.40463	4.1
71.01382	32.6
73.02948	27.0
81.03487	1.2
83.01392	13.6
85.02947	21.3
86.07043	0.8
87.00877	2.3
89.02444	7.9
95.01385	2.7
97.02962	1.4
99.00886	4.9
101.02445	44.7
103.03973	1.2
105.03457	1.3
111.00925	1.4
111.04510	1.8
112.98813	8.6
113.02458	16.9
119.03501	1.7
125.02443	1.9
131.03503	0.8
133.02966	9.4
143.03474	1.9
159.02982	2.2
161.04562	12.8
163.06073	1.1
177.01918	3.4
185.13487	0.9
203.14336	4.2
259.58130	1.0
263.14987	68.1
264.15271	1.4
391.83344	0.8
409.20782	100.0
410.21246	5.3
427.19559	1.9
469.14603	0.6
469.20737	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	469.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08389	0.4
55.01879	2.2
57.03454	1.8
59.01379	100.0
60.01717	0.5
61.98824	0.6
65.74728	0.3
69.03452	0.5
70.69265	0.3
71.01382	21.3
72.99326	0.4
73.02947	9.9
75.00898	0.6
83.01386	4.9
85.02951	14.1
86.00107	0.9
87.00890	1.4
89.02445	2.9
94.59758	0.3
95.01382	1.9
97.02946	0.8
98.22693	0.8
99.00872	3.1
101.02441	22.9
102.02787	0.4
106.77322	0.3
111.00864	0.5
112.01681	0.5
112.98817	1.7
113.02451	9.5
119.03506	0.7
125.02485	0.6
129.01950	0.6
133.02985	1.8
135.04518	0.4
143.03458	1.7
159.03076	1.6
161.04559	6.4
165.60550	0.4
177.01961	0.7
178.08728	0.3
221.19098	0.4
265.18085	0.5
317.83679	0.3
324.61346	0.3
362.57504	0.3
365.23334	1.4
383.24368	21.2
384.24844	1.5
409.22314	11.3
410.22559	0.7
427.23331	6.0
428.23877	0.5
469.24399	35.0
470.24652	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2572
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
53.69687	1.2
61.27745	1.1
61.98826	2.8
74.37431	1.1
78.95904	47.0
82.71005	1.0
98.58609	1.2
120.96985	3.4
134.26680	1.1
138.98035	8.7
152.99600	16.4
171.00513	1.7
195.00633	11.8
213.01666	1.8
213.37067	1.2
250.57130	1.3
255.23286	100.0
256.23648	4.3
377.24600	5.3
391.22375	1.9
451.24667	61.6
451.31122	2.9
452.24637	3.6
469.25201	7.8
469.29636	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	469.2571
Annotation	Bacilysocin
Peak:m/z	Relative Intensity
61.98841	1.1
64.85081	1.0
71.45358	0.9
78.95900	6.6
94.99052	0.8
103.16749	0.9
107.13636	0.8
112.98763	3.9
133.02954	3.4
147.93005	1.0
152.99590	16.6
153.01680	1.0
171.00577	1.8
175.03946	1.1
177.01945	2.0
227.03221	2.8
241.21727	100.0
242.21974	4.5
245.04398	1.0
301.21536	1.3
362.19669	2.4
365.51538	0.8
469.25665	30.3
470.25952	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	469.2592
Annotation	Blazeispirol V
Peak:m/z	Relative Intensity
59.01378	1.0
71.44334	0.9
78.95901	2.5
95.05014	1.0
99.06332	0.8
105.03445	2.2
112.98849	3.9
117.03448	2.1
118.45649	0.8
131.16856	0.7
132.02173	9.7
133.02959	15.3
134.03749	29.1
135.04539	13.4
137.02414	1.6
147.04552	1.2
148.05299	4.9
149.06071	2.7
152.99617	1.1
160.01662	49.0
161.02451	3.7
167.01227	0.9
175.04010	100.0
176.04320	3.2
177.01926	2.0
178.02710	2.8
179.03510	7.3
193.05064	19.6
255.23329	11.7
263.20093	1.4
275.20157	1.9
285.11307	1.6
293.21317	6.2
434.33923	0.8
437.23340	1.8
451.24698	3.0
469.25928	43.2
470.26245	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	470.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	31.2
61.64109	6.0
61.98827	100.0
64.98253	6.0
71.01379	14.7
71.46915	7.8
73.02946	6.3
81.42133	5.4
83.05014	6.3
101.02453	9.8
113.85201	7.1
164.56688	5.8
267.56570	6.3
331.51349	6.5
410.20990	8.8
434.04214	28.5
466.44092	8.3
470.32001	10.8
471.22379	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47816	4.7
59.01380	54.5
61.98825	100.0
62.32492	6.5
69.63708	17.6
70.67146	5.6
71.01379	8.6
73.67438	5.9
82.95412	9.6
83.05007	5.3
87.00853	5.2
87.98203	5.8
88.27210	5.7
89.02489	6.4
89.55210	4.9
98.22726	5.5
101.02441	8.9
102.05566	5.7
104.58009	5.0
107.83163	5.7
112.98796	7.3
113.02420	8.9
117.03475	8.8
119.05044	13.1
130.62579	5.4
134.03734	12.6
136.01653	10.2
145.02992	17.2
161.04556	6.7
163.04008	9.9
163.38698	6.9
167.01877	5.7
175.03922	6.1
203.03596	15.3
203.37326	5.9
233.04515	13.8
277.03674	12.9
307.04459	10.7
410.21262	8.7
470.23746	10.5
471.23700	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	471.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88435	0.4
56.29470	0.4
59.01381	6.0
61.98836	0.9
69.01540	0.4
69.03432	0.5
69.56418	1.1
69.56805	0.7
71.01381	5.0
72.99295	1.0
73.02917	0.9
74.71661	0.4
75.11957	0.4
79.96486	0.4
83.01381	0.7
85.02955	1.6
87.00861	1.3
88.88380	0.4
89.02459	2.4
93.03460	0.7
101.02440	2.7
112.98808	0.8
113.02471	1.5
117.03471	34.7
118.03792	7.7
119.05026	29.7
120.05370	5.1
121.02905	0.8
133.06627	0.9
134.03723	1.8
135.04594	0.5
145.02954	100.0
146.03290	23.4
147.03497	1.1
147.04521	1.0
159.04538	0.6
161.02332	0.5
161.04881	0.4
161.06068	2.4
162.03223	1.0
162.06593	0.4
162.68985	0.4
163.04002	23.4
164.04332	6.2
165.04662	0.5
170.51305	0.4
175.03976	2.3
177.05566	0.6
187.03992	2.7
188.04427	0.6
190.02705	0.6
190.43520	0.4
193.04948	0.8
203.03450	3.4
203.33025	0.4
204.49843	0.4
205.05029	1.9
233.04636	2.0
235.06067	1.0
265.07370	0.7
266.07428	0.5
277.03558	2.7
307.04572	2.6
307.08041	0.9
308.04922	0.5
397.11334	0.7
397.61600	2.0
410.02194	0.4
470.13272	1.5
470.63406	16.4
471.13501	6.3
471.22089	2.2
471.63644	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	471.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98816	9.2
69.93463	3.7
69.93771	3.9
71.01370	14.7
72.99308	4.0
73.02946	12.4
75.00852	3.9
82.95412	7.0
83.01394	4.8
83.76719	2.4
84.10828	2.4
84.95111	5.1
85.02956	5.7
89.02439	5.5
94.58335	2.1
98.21994	2.8
101.02442	15.5
112.98783	2.8
113.02467	11.7
122.44002	2.2
133.02982	3.1
135.04507	7.1
138.06857	7.1
139.03938	2.4
139.07727	2.8
145.02927	6.5
151.07664	7.7
152.08453	18.6
153.09213	53.5
161.04573	4.2
169.08640	2.2
171.36728	2.4
205.12331	18.9
208.66206	2.6
223.13318	5.7
252.36490	2.7
303.88272	2.4
317.14871	4.0
367.17645	32.1
368.17743	3.2
385.18466	6.6
425.20166	8.5
427.19382	9.4
453.20300	5.9
465.03854	2.4
471.24417	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
69.31210	5.4
69.31596	6.3
71.01395	15.9
72.99323	4.3
73.02944	17.9
77.66344	2.5
82.95409	6.0
83.01381	5.7
85.02956	6.9
85.04462	3.3
87.00871	16.9
89.02462	8.6
95.05017	3.0
96.96029	3.7
101.02465	15.1
105.03452	3.8
109.02936	7.2
111.00826	3.9
111.33610	2.8
112.98820	38.8
113.02445	12.5
125.06095	4.4
130.99872	3.2
133.02960	25.8
134.03729	5.5
135.04543	56.2
137.02444	2.8
138.06860	14.0
139.00354	5.0
139.07687	3.6
147.04494	3.8
149.00903	13.9
149.06017	3.3
151.07648	8.8
152.08455	24.4
153.09221	83.5
159.04532	3.6
161.02481	26.5
161.04553	4.6
163.03975	8.7
164.01173	2.7
175.04091	3.5
177.01884	9.9
177.05551	7.6
179.03511	42.8
191.03516	5.3
203.03488	5.8
205.12277	24.2
219.03004	26.4
222.03510	3.7
223.13350	18.6
277.03616	4.2
293.03085	30.3
307.04749	4.9
310.03165	3.6
313.06824	3.0
339.05139	9.5
367.17969	13.5
385.18622	4.7
427.19516	5.6
459.44952	3.2
469.36581	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	471.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03679	0.3
53.60559	0.3
56.21385	0.3
59.01379	100.0
61.98834	0.5
62.08361	0.3
69.03458	0.3
69.73159	0.7
69.73512	0.6
71.01390	1.3
73.02943	3.5
76.31458	0.4
83.01390	0.9
83.25273	0.4
86.24852	0.3
89.02475	0.7
96.95966	0.5
101.02457	3.2
113.02460	1.4
119.03507	0.4
119.05009	0.5
131.03477	0.6
149.04585	0.5
161.04570	1.4
165.45987	0.3
211.67552	0.4
335.59222	0.3
346.73572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3115
Annotation	Comnostin D
Peak:m/z	Relative Intensity
51.95074	1.1
54.53307	1.2
67.56943	1.4
69.03460	6.6
72.72928	1.4
77.41065	1.3
78.95902	4.2
84.81368	1.3
85.14706	1.2
89.94592	1.3
99.92599	4.8
107.05040	3.3
109.06596	66.0
122.32800	1.2
125.69727	1.3
152.99561	1.9
293.04312	1.1
315.27042	2.7
337.28778	1.5
353.28180	1.5
355.30060	31.4
381.31686	1.5
383.33209	13.1
409.31189	8.4
410.83722	1.5
427.32159	43.0
428.32553	2.7
436.19177	3.6
471.31134	100.0
472.31326	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3691
Annotation	oscr#38
Peak:m/z	Relative Intensity
51.64347	1.4
56.48776	1.6
67.23071	1.6
69.81471	2.5
69.81828	3.6
98.22600	3.0
117.57998	1.5
167.01208	1.6
172.94553	1.8
320.80252	1.5
335.33197	74.6
336.33582	4.5
353.34061	2.1
379.32214	40.2
380.32407	5.6
397.33197	100.0
398.33582	6.2
471.36884	92.8
472.37173	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19181	0.2
59.01369	0.3
61.98830	100.0
68.42861	0.2
87.71618	0.2
96.06612	0.2
98.50999	0.2
119.05070	0.3
128.81091	0.2
143.99548	0.2
145.02997	0.5
146.03293	0.3
163.04028	0.4
173.05153	0.2
173.54965	0.3
225.67151	0.2
247.07106	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	92.0
67.18445	10.2
70.96473	9.0
71.01396	25.6
73.02956	33.2
75.26640	9.9
85.02981	11.5
89.02447	23.1
92.53871	14.2
101.02474	57.7
103.04006	31.5
121.45536	10.2
143.18324	12.0
163.06149	100.0
205.07213	27.0
247.84029	11.2
429.17706	13.0
472.25177	13.0
476.00415	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	472.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08547	0.2
52.69324	0.2
59.01382	0.2
61.98829	100.0
69.63028	0.9
78.95870	0.2
102.40316	0.3
135.04575	0.5
149.00934	0.9
179.03526	0.6
277.21811	0.8
305.93137	0.2
395.42413	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.8
61.98830	100.0
66.07936	0.3
69.36314	1.7
69.53475	0.3
71.01400	0.7
72.99310	1.4
82.95466	0.4
84.99342	0.8
87.00874	6.3
87.01373	0.5
89.02478	0.5
93.03452	0.4
94.10814	0.3
101.02450	0.5
102.05619	3.3
103.00374	1.1
105.01976	0.4
107.04998	0.3
109.02957	1.7
112.98810	7.4
113.99176	0.4
115.67278	0.3
116.35529	0.3
117.03468	0.4
119.04999	0.4
119.40021	0.3
128.03537	5.9
130.99866	0.9
133.02954	4.0
134.03781	2.4
135.04529	23.7
135.91821	0.3
136.04869	1.3
137.02477	0.6
146.04663	0.7
149.00917	22.1
150.01276	0.4
159.04553	0.6
161.02449	7.0
162.02826	0.7
163.04051	1.3
177.01921	1.7
178.02705	1.1
179.03496	23.3
180.03859	0.8
191.03616	1.0
203.03566	0.4
219.02962	2.7
222.03598	1.2
229.01479	0.8
231.02838	0.4
251.07069	0.4
267.06592	0.4
269.08231	0.9
281.21292	0.5
293.02814	4.8
294.03415	0.6
295.06204	0.9
307.19208	0.7
310.03452	2.3
310.53473	0.4
311.04010	2.8
313.07254	2.1
325.04825	1.0
325.20374	1.0
339.05063	6.2
340.05582	1.0
343.21112	2.9
412.21680	0.5
465.89484	0.4
472.25601	10.9
473.26108	0.4
476.72263	0.3
489.06732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.2
61.98831	100.0
66.17822	0.3
69.35824	0.4
69.36115	1.8
71.01398	0.7
72.99313	1.4
87.00875	5.6
96.96060	0.6
97.33709	0.4
101.02463	0.7
102.05650	0.5
103.00388	1.2
105.01973	0.4
109.02957	2.1
112.98811	5.2
113.99170	0.4
114.71162	0.3
121.02966	0.7
128.03552	1.1
130.99870	0.5
133.02998	2.7
134.03711	1.3
135.04529	20.1
136.04877	0.8
137.02449	0.8
139.00371	0.8
149.00922	21.0
159.04585	0.7
161.02457	4.6
163.04063	0.6
177.01929	1.0
178.02736	0.5
179.03500	18.1
180.03951	1.2
185.02434	0.3
191.03560	0.7
195.08231	0.4
203.03482	0.5
219.02969	2.2
222.03569	0.8
229.01482	0.9
256.47675	0.3
267.06610	0.4
269.08310	0.8
293.02936	3.6
295.06107	1.0
310.03397	1.4
311.04010	2.4
312.05426	0.4
313.07281	1.1
320.32336	0.4
325.04779	0.7
339.05115	3.7
339.83511	0.3
340.05399	0.6
410.00757	0.4
412.22052	0.4
416.69205	0.3
421.19070	0.4
472.25943	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	472.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
61.98829	1.6
69.24189	8.5
71.01383	3.1
72.99309	5.3
74.70732	1.8
79.37695	1.3
84.99333	1.7
87.00880	25.8
89.02460	2.1
100.10442	1.3
100.11108	1.3
103.00393	4.7
105.01970	1.7
105.03490	1.7
107.05043	2.6
109.02979	5.7
112.98813	24.6
119.05029	2.5
127.00366	1.4
130.99852	2.4
133.02972	17.5
134.03716	6.5
135.04524	100.0
136.04840	4.2
137.02440	2.9
139.00436	1.7
146.15396	1.7
149.00919	83.4
153.09288	2.1
159.04527	2.5
161.02441	23.1
162.02786	3.0
163.04015	5.0
177.01947	5.8
178.02698	4.4
179.03493	82.7
180.03764	4.6
190.99895	1.6
191.03445	3.3
203.03476	2.0
219.02945	12.4
222.03574	4.4
289.76028	1.5
293.03052	13.7
294.03427	2.6
310.03354	3.6
311.04044	10.1
313.07150	6.6
325.04520	4.1
339.05075	11.5
454.20895	1.9
489.06647	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21560	0.9
59.01381	4.2
61.98830	1.8
69.64605	1.9
70.67200	0.6
71.01347	0.7
78.95904	12.0
88.45349	0.7
125.87320	5.8
126.88110	2.1
140.01178	4.8
152.99530	1.1
157.86324	1.4
160.84204	27.1
162.83830	1.7
170.56219	0.7
177.16490	1.5
196.03847	2.2
214.04848	5.5
231.21194	6.6
275.20142	100.0
276.20551	4.9
326.25507	0.7
329.02289	1.5
337.00720	2.8
365.00180	1.3
400.11185	6.4
436.08755	13.4
437.09113	1.3
472.24634	16.2
473.24799	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02980	0.7
59.01381	16.4
61.98819	3.1
63.98922	0.7
69.31996	1.9
69.32405	2.3
71.01385	1.3
72.99300	1.1
74.02462	1.0
80.30788	0.8
81.03466	1.2
84.04550	4.8
87.00877	7.5
92.12392	0.7
100.07684	1.7
102.05606	32.6
103.00394	1.2
104.51007	0.6
109.02969	2.4
109.24915	0.7
111.08176	1.0
112.98804	7.8
119.05062	1.7
123.04546	2.0
128.03543	54.6
129.03809	0.8
130.08745	1.7
130.99944	1.0
133.02921	2.9
134.03752	1.4
135.04530	23.2
136.04842	0.7
137.02428	0.8
146.04593	6.7
149.00905	25.1
151.84711	0.8
157.07559	0.8
157.08669	4.9
159.04471	1.5
161.02435	6.7
163.04007	1.1
167.03459	5.8
168.03848	2.6
177.01915	1.0
179.03502	24.2
180.03851	1.5
191.03491	1.0
203.03407	1.0
219.02898	3.9
222.03456	0.9
229.01372	1.4
245.19118	1.6
247.17007	1.1
263.20163	3.2
265.17975	2.9
267.06650	0.9
273.07687	7.5
274.08051	6.6
281.21234	13.6
283.19147	21.1
284.19504	1.5
292.15527	0.8
293.02972	4.0
293.08914	1.0
295.06021	1.0
298.08295	0.8
310.03305	2.3
310.53949	0.9
311.04080	2.5
313.07227	2.6
325.20215	1.7
339.05023	8.3
340.05331	1.5
343.21262	14.8
366.26385	1.7
368.24490	6.9
410.25620	1.1
412.23676	1.8
435.13101	1.0
436.13492	3.6
454.24472	5.5
472.25513	100.0
473.25793	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	472.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.9
59.01378	7.4
61.98829	5.2
69.26744	3.6
71.01382	1.6
71.05050	1.1
73.02937	0.9
74.02481	1.1
83.05035	3.0
84.04538	1.9
85.02938	1.1
87.04516	10.8
100.07666	1.7
101.02460	1.2
101.06071	1.0
102.05607	39.7
107.08675	3.4
110.06172	0.7
111.04549	3.7
111.08144	1.4
112.98808	0.9
113.02448	1.1
119.05030	4.8
120.05309	1.1
127.07629	1.0
128.03543	57.7
129.03893	1.0
129.05579	13.8
133.10176	0.8
134.03732	0.9
135.04544	0.7
145.02972	1.8
146.04594	10.1
149.00928	1.3
155.07137	7.9
158.76122	0.7
171.10239	0.8
175.04024	0.7
179.03540	1.3
201.11331	0.9
203.03442	1.3
214.10852	3.9
219.13741	1.5
233.04623	1.0
237.04608	0.7
240.12506	1.1
255.16019	1.2
258.76346	0.8
278.03723	1.1
283.06647	0.7
298.97229	0.8
308.04767	1.3
316.16519	0.9
325.20129	1.0
340.21466	0.9
343.21326	15.5
428.26465	2.0
436.22488	2.5
454.24539	5.4
459.76279	0.7
469.24515	0.9
472.25510	100.0
473.25751	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	472.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05011	0.6
57.01694	0.5
57.03421	1.1
59.01364	2.7
61.98829	4.3
69.29195	0.6
69.56937	1.5
69.57324	1.5
70.02949	0.6
71.01380	21.4
72.04548	1.9
88.04036	19.0
96.99267	0.8
98.22585	1.0
102.72789	0.6
107.24554	0.7
115.00372	16.4
125.09933	0.6
132.03073	1.0
134.53273	0.6
138.09177	0.7
139.11250	1.0
146.14316	0.6
149.00887	0.9
152.10815	0.7
156.13950	4.0
166.12392	1.8
170.11855	1.6
179.03514	0.9
184.13425	14.7
184.17058	1.8
188.86978	0.6
212.16403	0.7
237.93532	0.6
249.58191	0.7
265.32724	0.6
296.25928	0.9
308.25931	2.9
326.26849	1.0
327.25500	3.2
336.84482	0.7
356.28064	4.9
357.26428	18.2
358.26846	1.5
381.44571	0.8
418.96652	0.7
428.30273	7.8
454.27893	1.0
472.29120	100.0
473.29443	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	472.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45713	19.7
70.83519	29.0
98.36172	21.0
101.06100	26.3
107.84551	24.8
157.39563	20.9
312.38458	21.1
335.78690	21.9
342.03204	22.7
367.59259	22.4
403.28259	39.2
472.26932	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	472.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
69.62690	28.1
76.64825	8.4
97.73492	10.7
98.21887	9.1
112.98750	9.2
135.04536	87.5
149.00928	100.0
179.03506	97.7
219.03075	9.3
237.11287	9.0
311.04089	19.4
418.41129	10.2
427.75748	9.6
432.87094	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	473.0724
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
55.38613	0.4
58.80870	0.5
59.01376	4.5
69.70533	0.6
69.70879	1.5
72.99312	3.8
84.99342	1.0
87.00873	12.6
87.01371	0.7
91.13414	0.4
98.21925	1.0
103.00358	3.1
105.01954	1.2
107.05028	1.2
108.62275	0.5
109.02946	1.8
112.98812	6.3
130.99876	1.3
133.02930	1.5
134.03728	3.0
135.04526	58.1
136.04839	1.1
137.02452	0.7
139.00409	0.8
149.00916	100.0
150.01184	0.9
156.14240	0.5
161.02415	3.1
163.03998	2.4
165.72011	0.5
166.28447	0.6
179.03494	72.3
180.03865	1.8
191.03497	1.8
205.05070	0.8
219.02924	5.6
293.03018	8.8
304.54059	0.5
311.04089	15.4
312.04422	0.9
341.06314	0.7
460.87534	0.5
499.61792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0725
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
59.01379	5.6
70.27337	0.3
70.51764	0.3
71.01387	0.6
71.42535	0.4
72.99310	4.2
73.06451	0.3
75.00903	0.3
78.95924	0.7
84.99335	0.4
87.00880	13.8
89.02461	0.5
101.02423	0.4
103.00373	3.2
105.01945	0.9
107.05018	0.9
108.33231	0.3
108.90205	0.6
109.02971	1.5
110.89915	1.5
111.00903	0.7
112.98820	6.5
115.76640	0.3
117.03490	0.4
120.14738	0.3
127.00393	0.7
130.99844	1.4
132.03090	0.5
133.02974	1.1
134.03748	3.3
135.04532	68.5
136.04907	2.0
137.02463	1.3
139.00388	1.1
149.00922	100.0
150.01282	1.2
161.02446	3.2
163.03993	2.1
173.02397	0.5
177.05573	0.7
179.03500	77.4
180.03860	1.6
191.03502	1.9
205.05208	0.4
219.00850	0.3
219.02980	6.5
231.02951	1.0
248.92030	0.7
275.01828	0.5
293.03046	8.9
311.04092	15.5
312.04218	0.6
322.85321	0.7
323.13501	1.7
349.43427	0.3
471.17664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0724
Annotation	Chicoric acid
Peak:m/z	Relative Intensity
52.33999	1.1
53.39128	1.2
59.01371	5.6
61.98813	2.0
72.99307	5.1
78.95896	4.1
87.00880	14.1
98.02475	1.4
103.00350	3.2
107.05048	2.2
109.06534	1.3
112.98799	6.1
130.99814	1.9
134.03738	3.7
135.04527	61.2
136.04930	1.3
137.02423	1.4
149.00919	100.0
149.99132	1.3
152.99606	1.3
161.02428	4.1
163.04099	1.6
179.03506	76.3
180.03818	1.7
191.03482	1.9
216.69376	1.3
219.02991	6.9
231.03111	1.4
277.21692	8.8
293.03015	10.3
305.24850	21.3
311.04068	16.2
334.45959	1.2
349.44986	1.2
386.96512	1.4
460.44220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.8
61.98829	6.9
71.01397	5.2
78.13738	2.5
78.21440	2.3
79.63313	2.6
98.22659	5.7
112.98707	2.5
135.04521	6.8
144.68565	2.3
149.00880	6.0
173.02510	5.0
179.03441	3.4
201.05533	3.3
209.05994	3.4
225.05554	8.1
229.14044	2.8
237.05638	10.3
251.16510	10.3
253.05075	21.1
264.04214	9.4
265.05069	15.9
267.06476	3.9
268.07385	8.8
277.05042	4.1
279.06699	4.4
280.07465	5.3
281.04523	7.7
283.09793	7.0
291.06573	6.5
292.03705	3.9
293.04639	28.6
295.06174	5.4
296.06839	5.5
307.06091	11.6
308.06918	30.1
309.04013	16.7
309.07660	11.0
311.09161	10.6
322.08310	6.8
323.05542	4.9
323.09256	55.4
324.06363	20.0
324.09888	6.1
337.10849	5.8
338.07953	5.0
338.11539	26.5
339.08734	100.0
339.12253	6.6
340.09103	7.0
353.10168	7.4
354.11081	85.3
355.11465	5.2
369.13419	25.0
370.13635	3.1
413.07089	5.1
413.12424	72.2
414.12814	3.9
442.99088	2.7
472.29019	8.7
473.29547	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	473.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	59.8
61.98829	6.9
71.01397	5.2
78.13738	2.5
78.21440	2.3
79.63313	2.6
98.22659	5.7
112.98707	2.5
135.04521	6.8
144.68565	2.3
149.00880	6.0
173.02510	5.0
179.03441	3.4
201.05533	3.3
209.05994	3.4
225.05554	8.1
229.14044	2.8
237.05638	10.3
251.16510	10.3
253.05075	21.1
264.04214	9.4
265.05069	15.9
267.06476	3.9
268.07385	8.8
277.05042	4.1
279.06699	4.4
280.07465	5.3
281.04523	7.7
283.09793	7.0
291.06573	6.5
292.03705	3.9
293.04639	28.6
295.06174	5.4
296.06839	5.5
307.06091	11.6
308.06918	30.1
309.04013	16.7
309.07660	11.0
311.09161	10.6
322.08310	6.8
323.05542	4.9
323.09256	55.4
324.06363	20.0
324.09888	6.1
337.10849	5.8
338.07953	5.0
338.11539	26.5
339.08734	100.0
339.12253	6.6
340.09103	7.0
353.10168	7.4
354.11081	85.3
355.11465	5.2
369.13419	25.0
370.13635	3.1
413.07089	5.1
413.12424	72.2
414.12814	3.9
442.99088	2.7
472.29019	8.7
473.29547	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	473.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05694	0.4
50.50247	0.4
53.15142	0.4
54.53009	0.4
58.02973	0.7
59.01370	1.7
60.50195	0.4
64.31272	0.5
67.46473	0.4
70.02982	7.2
70.93922	0.4
71.01378	1.7
71.02499	2.7
71.43604	0.5
72.00906	2.7
88.04038	1.7
89.02452	1.8
92.92789	2.4
94.92500	0.6
95.02503	6.4
101.02434	0.6
103.84976	0.4
110.89930	0.4
111.02003	1.8
113.03573	32.7
114.01966	26.0
119.03457	0.8
131.04623	100.0
132.03029	4.0
132.04956	1.1
167.59198	0.5
179.05627	1.4
195.21805	0.4
305.13943	0.5
322.93793	0.4
341.10886	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	473.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	0.9
59.01382	2.6
70.02978	7.1
71.01373	2.2
71.02488	2.4
72.00911	3.1
72.99316	0.5
78.95900	0.7
85.02976	1.0
87.00894	0.7
88.04043	2.2
89.02439	2.6
92.92786	1.5
94.92516	0.5
95.02510	5.7
96.00919	0.4
100.93384	0.7
101.02515	0.5
108.90178	0.5
111.00893	1.1
111.02005	2.0
113.03575	35.0
114.01972	26.8
115.92081	0.9
119.03534	0.5
130.94415	0.5
131.04626	100.0
132.03027	7.3
132.04959	1.1
132.25546	0.4
147.96515	0.4
179.05663	0.7
236.54288	0.5
276.98001	0.4
292.95825	0.5
341.10947	3.2
376.84424	0.5
454.01816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51579	3.1
58.73132	3.5
58.92576	3.4
59.01078	5.1
59.01380	100.0
61.98831	25.1
62.29244	3.2
71.01379	12.5
71.22032	3.5
73.13196	3.6
82.86994	3.1
89.02431	19.4
99.00891	8.3
101.02451	11.5
108.93673	3.4
113.03464	3.4
116.10228	3.6
125.02469	6.2
126.41664	3.8
143.10727	11.0
146.02519	3.7
149.04527	17.3
175.83054	3.7
179.03564	3.5
183.26656	3.8
233.06706	7.0
269.17508	5.1
293.08807	41.3
293.91278	4.1
329.06381	31.2
332.30557	3.7
342.77682	4.1
473.17856	29.1
473.23935	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	473.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95966	1.0
56.41573	0.9
59.01380	53.3
61.30880	0.9
61.98822	1.5
62.10339	1.3
64.16975	1.2
65.00318	1.3
71.01392	1.9
72.99306	5.0
74.02454	3.2
79.26361	0.9
84.99303	1.1
85.02930	1.5
86.69215	1.0
87.00879	19.9
89.02444	2.4
92.21798	1.1
101.02416	1.1
103.00364	5.3
107.05029	1.6
109.02956	4.4
112.98813	10.7
113.99125	1.4
119.05040	3.7
120.05360	1.8
125.02416	1.5
130.99855	2.2
133.02969	5.1
134.03691	3.8
135.04530	74.0
136.04848	4.7
139.00368	1.3
143.10855	1.7
143.11858	1.4
149.00922	100.0
150.01260	2.5
151.00352	3.6
152.00665	2.2
153.00844	1.6
159.04408	1.1
161.02438	9.5
162.02852	1.2
163.03973	1.9
177.01845	2.1
179.03496	78.7
180.03853	6.4
189.06985	1.5
191.03542	2.2
219.02995	8.2
220.03419	1.1
231.02946	1.8
269.08173	2.2
269.17496	1.5
271.06067	4.3
272.06396	4.2
273.06711	7.2
293.03152	8.6
293.08768	1.6
294.03278	1.8
295.06134	1.5
310.03305	1.4
311.04037	15.4
312.04544	1.2
329.06464	3.7
335.33487	1.1
339.05035	4.5
340.05408	3.3
341.19629	1.3
404.54071	1.1
413.21310	1.2
414.11392	1.1
435.11765	7.5
473.17780	7.0
473.24316	10.2
474.23907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34118	3.8
59.01385	100.0
61.98835	35.9
71.01382	14.6
73.02941	5.7
89.02436	31.6
98.22621	11.1
99.00874	4.9
101.02457	10.8
113.02467	5.0
118.77509	5.3
119.05052	4.8
125.02443	12.2
131.03554	5.2
138.16479	4.5
143.10780	7.6
149.04543	20.1
154.29021	5.0
181.12427	5.0
184.92180	5.4
233.06598	5.5
293.08722	39.0
329.06412	37.6
473.17953	35.9
473.24133	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	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62375	3.1
59.01381	100.0
61.98827	21.4
71.01379	22.0
71.45754	3.8
73.02946	17.8
84.95123	10.4
85.02972	4.6
87.00874	8.4
88.98796	5.4
89.02438	17.8
99.92605	8.2
101.02453	19.8
103.04012	26.7
113.02451	11.3
116.92863	4.4
119.03522	5.8
135.04483	6.6
149.00929	15.6
152.08395	4.4
161.04536	7.1
179.03481	5.9
221.06683	3.8
352.02271	10.3
369.18890	16.9
370.19717	4.7
387.20227	19.7
429.21210	7.3
431.14749	4.2
437.85645	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62375	3.1
59.01381	100.0
61.98827	21.4
71.01379	22.0
71.45754	3.8
73.02946	17.8
84.95123	10.4
85.02972	4.6
87.00874	8.4
88.98796	5.4
89.02438	17.8
99.92605	8.2
101.02453	19.8
103.04012	26.7
113.02451	11.3
116.92863	4.4
119.03522	5.8
135.04483	6.6
149.00929	15.6
152.08395	4.4
161.04536	7.1
179.03481	5.9
221.06683	3.8
352.02271	10.3
369.18890	16.9
370.19717	4.7
387.20227	19.7
429.21210	7.3
431.14749	4.2
437.85645	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96287	1.8
55.77946	1.7
59.01379	100.0
61.98828	7.2
71.01377	19.0
71.43589	2.0
72.99320	2.3
73.02950	9.6
83.01427	3.6
84.95129	7.5
85.02969	4.2
85.90310	1.9
87.00872	13.4
89.02441	14.5
95.01424	1.9
101.02438	14.1
109.02968	2.8
112.98811	3.5
113.02473	7.5
113.06002	1.9
117.03994	2.2
119.03531	4.7
119.05032	3.8
131.03580	2.3
131.07149	4.5
135.04552	16.6
143.03505	1.9
147.04523	3.5
147.89885	2.0
149.00914	30.3
161.04546	7.9
179.03516	20.6
179.05550	3.8
205.03941	2.3
210.09555	2.1
286.91028	2.2
293.02859	2.6
311.03998	7.2
319.10757	4.3
369.19116	6.2
387.20160	8.3
405.04138	2.4
413.21790	3.3
429.21323	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	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01724	0.7
69.65802	0.5
71.01377	0.5
73.02953	1.2
75.57261	0.2
89.02468	0.5
98.21772	0.3
101.02464	1.1
120.16624	0.3
149.00937	0.3
150.39777	0.3
161.04549	0.5
177.68724	0.2
188.30234	0.3
208.68472	0.3
294.52255	0.3
375.61337	0.3
413.21936	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.239
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90199	0.4
59.01379	100.0
60.01705	0.8
61.98842	2.6
70.84332	0.7
71.01380	3.3
73.02962	1.1
85.02972	1.2
87.99240	0.4
88.78543	0.4
89.02433	2.5
91.56295	0.4
91.69550	0.4
98.15285	0.5
101.02436	3.2
107.43130	0.4
111.04538	1.2
113.02465	1.3
115.07658	2.1
118.97045	0.4
119.03526	0.5
119.05042	1.5
121.54697	0.4
135.04510	0.9
143.10809	1.0
145.02957	0.5
149.00941	0.9
158.11903	0.8
178.92642	0.4
280.07098	0.5
293.08981	0.5
329.06482	1.5
353.19614	0.8
371.20975	0.8
376.16214	0.7
413.22195	1.2
437.20752	0.7
451.70245	0.5
473.18076	3.9
473.24521	1.1
474.23456	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	473.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44360	0.4
59.01379	100.0
60.01713	0.7
61.98839	1.2
69.34163	1.5
71.01395	1.3
88.04086	0.7
97.58120	0.4
101.02454	0.7
111.48348	0.4
113.02466	0.5
115.00397	0.6
120.44772	0.4
125.04353	0.4
135.04556	0.9
143.10805	0.5
149.00932	0.9
152.07242	0.5
179.03516	0.7
187.09395	0.4
216.49915	0.4
239.12700	0.4
248.43051	0.4
294.24747	0.5
335.02246	0.3
358.29858	0.5
359.28113	1.1
474.24664	0.6
474.30664	3.8
496.96542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97206	40.9
61.98827	67.8
71.43320	36.5
78.95912	73.5
79.95754	60.1
111.22012	38.4
152.99609	100.0
269.72070	38.9
273.51169	35.2
277.21948	38.3
319.22723	46.6
473.27756	93.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.3
60.77557	0.2
61.98822	0.5
69.65197	0.7
71.01377	0.4
74.10479	0.2
78.95901	7.3
82.12263	0.2
83.05058	0.2
98.21909	0.3
113.82522	0.2
122.00124	0.2
127.07683	0.2
140.01192	2.0
146.02502	0.2
149.77904	0.2
152.99577	1.0
162.83907	1.4
171.00626	0.5
183.66911	0.2
196.03807	1.5
214.04877	3.4
233.22833	0.3
259.20682	0.5
275.20157	0.5
277.21716	100.0
278.22043	4.6
314.39243	0.2
335.23560	0.2
337.22742	0.2
346.84473	0.2
378.09723	0.2
436.08658	0.3
438.08420	0.5
474.26227	12.1
475.26791	1.0
492.88770	0.2
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
53.24597	0.2
59.01383	1.6
61.98819	0.4
62.96426	0.4
70.93394	0.3
78.95902	30.4
95.52631	0.3
96.96926	0.4
122.00135	0.9
127.87051	0.7
128.87814	0.4
134.98520	0.3
140.01187	7.4
152.99576	2.3
162.83939	0.7
164.83615	8.2
171.00656	1.1
171.13104	0.3
182.80045	0.3
196.03798	12.0
197.04054	0.3
214.04874	2.7
233.22710	0.5
259.20651	0.3
260.07791	0.2
275.20190	0.3
277.21716	100.0
278.22049	4.2
374.96155	0.6
413.20950	0.4
446.89334	0.3
474.04059	0.8
474.26239	38.0
475.26529	2.1
484.10294	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68071	1.0
57.82818	1.2
59.01381	5.5
61.98841	7.8
69.49699	3.5
83.05022	1.7
84.04567	1.8
87.00880	2.6
102.05605	23.1
110.43633	1.1
112.98816	8.6
125.09724	1.1
128.03545	51.5
135.04533	8.0
136.04866	4.6
146.04588	6.9
149.00923	10.5
150.01285	3.0
179.03439	7.9
180.03801	4.0
185.07896	1.0
209.58224	1.1
247.20596	5.6
265.21735	6.3
283.22906	3.0
285.20764	2.9
291.19687	3.1
309.20703	7.3
311.04446	1.2
327.21768	14.8
343.21225	2.3
345.22845	29.2
346.23120	1.3
368.28195	1.5
430.28171	2.8
456.26044	4.6
474.27081	100.0
475.27823	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34388	1.1
57.03436	3.3
59.01381	12.3
61.98824	6.7
69.03487	1.1
69.52489	2.1
69.52846	2.0
71.01383	19.4
72.04543	0.9
75.53159	0.8
77.51450	0.8
79.40549	0.9
84.60296	0.9
88.04047	23.2
98.22689	1.7
115.00375	18.8
125.14738	1.0
127.11319	1.9
132.03099	1.5
136.40477	0.8
137.09738	2.0
139.11267	1.1
143.10768	1.0
153.01682	1.0
155.10773	2.5
156.13940	2.2
156.22072	0.9
163.79262	1.0
166.12318	2.3
168.48387	0.9
184.13400	2.4
184.17094	1.3
200.80814	0.9
206.15178	1.0
292.22794	2.1
294.24420	13.7
312.25400	3.1
340.28616	7.0
358.29700	6.7
359.27997	21.5
385.13022	1.5
430.31686	8.9
474.30722	100.0
475.31073	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	475.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.7
61.98824	3.3
65.00308	1.2
68.99818	1.9
69.21007	4.3
71.01377	3.7
72.99300	4.6
73.02933	1.1
83.01400	1.4
84.99303	7.5
87.00896	7.7
89.02459	3.0
93.03465	1.5
94.30244	1.0
101.02483	1.7
112.98810	100.0
113.02456	1.4
113.99159	1.3
117.03464	1.1
118.88905	1.3
119.05027	75.7
120.05373	1.2
121.02913	1.1
123.04540	2.4
130.99916	1.4
133.02922	1.8
135.04515	3.4
143.05049	2.1
145.02951	13.9
147.04498	8.1
149.00922	4.1
149.99483	0.9
151.00291	1.4
153.09198	9.9
161.02434	1.1
161.04625	1.2
161.05946	1.8
163.04004	55.5
164.04387	0.9
167.03488	4.1
168.03822	2.8
169.04031	2.1
175.03986	6.4
178.02641	1.2
179.03488	3.7
180.03992	1.1
181.03978	1.1
189.05515	2.5
197.08167	10.0
197.54445	1.0
203.03482	26.9
215.03500	4.3
233.04562	1.7
259.02518	1.4
271.06152	2.8
273.07660	3.3
274.07999	5.4
275.08234	6.9
277.03540	33.1
313.16568	2.4
329.08676	4.9
343.21167	5.0
415.23203	2.3
437.13385	2.9
465.08755	1.0
475.22189	1.2
486.44754	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	50.3
61.98833	12.5
62.64447	1.3
68.20808	1.2
70.99606	8.5
71.01364	6.3
72.14304	1.1
73.02939	3.5
74.99075	1.8
85.02940	3.0
87.00880	3.8
88.98794	3.7
89.02451	10.6
101.02441	5.6
111.34937	1.1
113.02501	2.6
119.04976	1.3
120.71698	1.5
120.99657	13.4
121.02951	2.0
123.00874	5.6
127.09510	1.5
133.02954	1.4
138.03227	24.7
141.27679	1.1
149.04597	1.7
153.05577	66.5
161.02420	12.5
161.04503	3.1
176.04779	30.2
190.86905	1.2
191.05411	2.4
191.07132	42.0
192.05394	1.2
192.07417	1.3
194.00432	5.1
195.01094	2.0
197.04538	2.6
209.02852	8.8
209.08185	1.7
210.03577	2.4
223.04367	3.8
224.05046	2.0
225.05901	100.0
226.06204	3.0
253.14539	1.6
313.07568	12.4
313.10828	2.5
387.11163	25.8
415.23462	3.5
475.12619	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	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07885	0.2
59.01374	1.7
69.34118	0.7
71.01373	0.6
73.02965	0.2
83.36105	0.2
89.02459	0.7
89.13474	0.2
91.01921	0.2
92.02675	0.3
98.22691	0.2
108.02219	0.2
121.02960	100.0
122.03311	2.1
125.02448	0.2
135.04514	0.5
167.03542	0.4
209.04420	0.4
293.08783	0.7
329.62912	0.2
415.13034	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35347	0.3
59.01379	8.0
65.00315	0.7
67.01890	0.3
70.97332	0.4
71.01387	2.4
72.99316	0.4
73.02950	4.9
76.72903	0.3
81.03461	0.4
85.02959	1.5
86.00095	0.5
87.00882	1.9
87.04504	1.3
89.02462	1.4
91.01898	6.8
95.01387	0.3
101.02452	2.0
103.04018	1.2
107.01408	0.6
108.02176	4.9
109.02964	1.3
111.00867	0.5
112.98835	0.3
115.04000	2.0
119.03520	0.4
123.00870	0.5
123.04527	25.5
124.01587	0.3
124.04906	0.3
125.02444	0.8
131.03510	1.5
143.03560	1.6
145.05032	0.5
151.00372	1.1
152.01141	3.2
163.06091	1.1
166.02681	1.8
167.03497	100.0
168.03835	2.7
181.05057	0.7
184.42426	0.3
186.85027	0.3
194.02240	1.0
205.07155	1.2
206.18625	0.3
209.04549	8.6
211.66599	0.3
225.84520	0.3
239.05617	0.3
415.12244	0.5
426.27322	0.3
474.57779	0.3
475.14502	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.3
57.03445	1.4
59.01378	93.5
61.98837	7.2
69.03455	3.8
71.01379	46.2
71.43700	1.4
72.99311	3.7
73.02942	16.1
74.70375	1.0
83.01384	7.0
85.02956	14.2
87.00874	10.1
88.98803	3.1
89.02444	36.3
92.33302	1.0
93.09024	1.2
97.02955	2.7
99.00904	4.2
101.02445	37.1
103.04021	4.8
107.05030	4.0
111.00894	5.0
112.98813	4.2
113.02458	16.3
119.03541	6.5
119.05027	5.6
121.02955	2.3
123.00879	1.8
123.37141	1.2
125.02434	9.7
127.03919	1.2
130.99847	3.8
131.03496	10.6
138.03195	2.0
143.03482	2.9
145.02991	2.8
147.04526	1.6
149.04570	8.0
153.05571	4.0
159.03015	2.4
161.04521	9.4
163.03984	2.5
163.06096	5.5
166.02567	1.8
166.99840	1.5
175.04063	1.5
179.05551	1.9
182.02235	5.0
191.05582	1.5
197.04555	10.7
203.03542	4.5
223.06151	2.0
233.06639	2.9
237.03914	1.5
277.03397	6.0
283.11877	19.2
293.08640	1.6
307.10373	8.8
311.04095	3.6
372.50583	1.4
415.16071	100.0
416.16574	4.8
475.16647	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	475.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18054	1.1
56.74115	0.8
57.03449	2.2
57.72550	1.0
58.00595	1.4
59.01378	100.0
60.99277	1.1
66.29218	0.9
69.03432	1.5
69.25466	3.8
70.71759	1.0
71.01379	58.2
72.99318	1.8
73.02949	14.3
73.10359	1.2
83.01400	2.4
85.02955	10.8
87.00872	6.5
88.98802	5.7
89.02445	91.8
90.02793	1.1
95.01386	2.2
96.96020	1.3
98.21790	1.8
99.00866	1.5
101.02451	39.9
103.04030	1.4
112.98849	2.8
113.02461	16.7
114.02814	1.3
119.03493	13.0
121.02910	1.4
125.02459	2.1
131.03496	24.7
135.04539	9.3
136.04897	2.4
137.04991	1.1
143.03481	2.8
148.04042	3.2
148.42874	1.0
149.00937	11.9
149.04555	69.5
150.01257	3.1
150.04945	1.1
151.01360	4.9
160.04024	0.9
161.02463	1.3
161.04559	3.4
164.30179	0.9
167.03494	1.0
171.10283	3.1
179.03482	9.3
179.05588	11.3
180.03833	3.9
181.03944	2.7
191.05612	11.3
201.11375	1.7
212.09975	1.0
246.75565	0.9
251.07840	1.2
259.08762	1.1
275.27234	1.2
283.11899	2.9
295.10822	2.6
311.09879	1.3
313.04434	1.5
343.21277	13.6
410.83316	1.0
415.16113	30.6
416.16272	1.5
429.21228	1.2
466.88095	1.3
475.10468	1.4
475.16403	6.2
488.15714	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	57.0
70.64747	2.6
71.01382	38.6
73.02947	25.7
83.01389	10.9
84.39538	2.0
85.02966	20.6
87.39992	1.8
89.02435	5.6
95.01402	2.9
96.15875	2.4
97.02959	2.5
99.00873	5.6
101.02440	36.9
101.03100	2.7
103.03993	2.8
113.02457	16.2
125.02448	3.7
126.48057	2.3
143.03505	2.2
159.03012	5.5
161.04556	20.6
163.06142	4.3
179.05159	2.0
261.14749	2.3
269.10291	60.3
304.87317	2.2
415.16083	100.0
416.16876	3.4
474.98788	2.7
488.25168	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	475.1831
Annotation	Cistanoside E
Peak:m/z	Relative Intensity
55.01870	1.0
56.09846	0.9
58.00591	1.7
58.50105	0.9
59.01378	100.0
61.98826	2.6
69.03449	2.5
70.71800	1.3
71.01384	34.3
72.99300	4.1
73.02943	45.7
75.21255	1.0
83.01385	5.9
85.02948	15.5
86.00095	3.0
87.00341	1.1
87.00879	19.1
87.04512	7.9
89.02444	33.4
92.97487	0.9
96.80246	0.9
96.96035	6.4
97.02942	2.8
99.00896	1.4
99.04553	1.3
101.02447	51.9
103.00327	1.1
103.04008	21.1
105.87794	1.1
105.91441	0.9
106.90700	1.0
109.02985	1.0
110.73863	1.0
111.95121	0.9
112.98788	1.5
113.02435	6.9
115.04008	15.4
118.98083	1.8
119.03491	14.8
125.02447	4.1
127.03985	2.5
130.99820	1.0
131.03503	17.6
133.02975	1.3
134.03746	22.2
135.04539	15.9
136.04875	5.7
137.05043	2.1
139.00362	1.4
143.03484	20.0
145.05075	6.3
149.00923	20.5
149.04878	1.4
149.06090	21.7
150.01218	5.6
151.01308	6.8
152.04764	2.3
157.05128	1.0
161.04533	1.7
163.06117	45.3
179.03487	12.7
179.05032	1.4
179.05695	1.9
180.03828	5.8
181.03923	5.4
197.04588	1.3
205.07162	34.1
221.03676	0.9
265.09247	1.4
285.04129	1.2
286.77222	1.1
295.03467	1.4
311.04233	1.8
313.04669	3.1
313.66513	1.1
329.12479	5.6
331.25757	1.0
441.54004	1.0
446.93411	1.1
475.18192	85.6
476.18414	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48860	1.0
59.01380	42.5
67.95261	1.0
69.59638	3.9
71.01383	2.6
85.45101	1.2
89.02429	1.7
101.02386	1.3
121.87563	1.0
135.04558	1.8
146.03732	33.3
147.04239	1.0
152.63718	1.1
161.04694	1.9
161.06058	12.3
164.04791	23.2
179.07138	100.0
180.07465	2.6
230.06683	1.1
415.16074	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95768	2.4
61.98830	6.7
64.24091	2.5
66.61832	2.6
67.06500	2.4
69.79584	9.3
75.41985	2.6
111.00859	4.8
116.92853	6.4
123.00873	3.2
125.09719	10.0
129.12477	2.7
137.02440	3.5
137.09767	4.6
137.99605	3.5
139.00397	7.2
140.01123	3.3
145.02946	4.2
149.02454	5.2
153.01949	20.3
154.02682	3.2
158.03731	3.3
161.02460	5.2
162.83940	4.8
164.83627	7.3
171.10262	10.4
173.06099	3.1
174.03224	3.4
175.03903	4.2
177.01917	13.7
180.68590	3.2
185.06102	3.7
187.04027	5.2
187.07811	3.4
190.02740	6.0
191.03519	4.5
195.10246	4.1
199.04086	6.6
199.09738	27.2
201.05591	8.4
203.03520	3.5
205.05157	4.9
210.06923	4.2
211.07683	9.9
213.05559	8.1
213.09267	6.9
213.11375	8.4
214.06335	4.4
215.07079	3.6
215.12878	11.9
217.05110	4.8
217.08685	10.7
219.06665	8.7
227.07198	8.4
228.07974	8.3
229.08690	11.4
230.05827	11.8
231.06624	8.9
232.07402	4.1
234.09074	2.7
239.07228	5.1
240.07890	3.7
243.10220	6.5
245.08182	55.2
246.08852	4.4
247.09666	5.2
257.08255	9.0
260.10510	26.4
261.11234	9.4
275.12906	29.3
287.56607	3.1
289.10742	3.8
307.19220	11.2
319.22910	6.7
377.18604	9.6
391.14133	10.9
393.17084	8.0
406.16315	18.5
410.17413	8.5
411.17819	5.1
425.19473	17.7
427.17422	4.1
428.18469	6.9
442.20041	8.4
443.20810	36.7
457.22125	19.0
460.20999	12.8
475.23395	100.0
476.23697	11.5
476.90442	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	475.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01704	1.4
61.98830	7.8
71.01381	7.3
73.02940	1.7
82.95437	1.5
85.02966	2.3
87.00877	2.0
89.02431	5.4
101.02441	5.1
103.01515	2.2
112.50777	0.8
113.02454	3.7
114.40907	0.7
116.92883	0.8
119.03558	2.2
119.05029	17.6
134.03783	3.3
135.04553	1.8
143.03506	1.1
145.02956	2.1
149.06117	2.9
159.27873	0.6
161.04568	5.0
175.04111	1.1
179.05664	0.9
184.23907	0.7
289.11993	2.4
317.15131	2.6
319.13159	1.9
325.20334	2.8
343.21222	8.8
352.65784	0.7
415.23303	7.9
437.15472	0.8
437.20752	4.5
439.18634	5.4
457.28244	0.9
464.43719	0.8
475.16385	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	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13156	1.1
57.03451	2.6
59.01381	100.0
61.98826	6.9
63.96683	1.1
69.03432	1.2
71.01383	23.4
73.02927	7.0
74.09062	1.3
81.03475	3.1
82.95402	1.3
83.01393	2.2
83.05048	5.2
84.95139	1.4
85.02953	9.5
88.75762	1.3
89.02450	10.6
97.06600	1.6
99.00903	3.1
99.04528	5.2
101.02439	15.6
103.07046	1.4
112.98842	1.4
113.02475	10.5
115.07673	2.9
119.03517	6.0
119.05019	5.1
143.03445	2.1
153.05501	1.2
159.03030	2.1
161.04552	19.1
165.12851	1.5
171.10306	2.5
179.05577	2.4
183.13832	2.4
235.17056	8.3
253.18069	4.2
271.06204	2.3
317.14960	2.2
333.48770	1.5
345.26535	3.0
415.23364	24.5
431.25818	1.6
437.20828	2.2
475.26801	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	475.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09810	1.0
59.01381	100.0
60.01704	1.1
65.93996	1.0
66.62822	1.0
70.92284	1.4
71.01380	10.5
73.02922	1.4
85.02923	1.9
89.02446	14.8
89.06058	1.0
101.02441	5.5
103.01510	1.4
113.02473	4.5
119.03517	6.0
156.12614	1.0
161.04596	3.0
179.05618	5.2
240.64084	1.1
343.21375	1.5
415.23602	3.1
453.97025	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51451	29.7
59.01380	44.0
61.98828	86.5
68.55652	24.4
69.52743	100.0
78.95890	69.5
80.90207	23.2
82.03003	25.5
98.22602	51.7
196.03772	28.3
207.24246	27.1
252.34352	27.8
279.23303	77.8
288.82813	29.0
447.87131	27.4
501.45505	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	475.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04176	1.6
57.03444	2.1
59.01379	100.0
61.98831	12.1
65.55032	1.9
69.33085	7.9
71.01389	19.5
73.02946	5.1
77.18788	1.9
85.02939	6.4
89.02455	17.0
89.95564	1.9
101.02445	16.5
112.98816	2.4
113.02453	7.7
115.07656	3.2
116.92853	2.1
119.03507	9.5
125.83399	1.7
134.03740	12.9
135.04524	6.6
136.58006	1.7
143.03479	2.5
148.19576	1.8
149.06062	9.9
161.04559	8.0
179.05605	3.5
231.08942	2.0
274.09674	3.0
289.11823	9.2
297.11316	2.2
383.74658	2.0
415.23297	30.3
416.23843	2.6
431.27097	1.9
439.18665	16.9
454.07352	2.1
475.23929	7.2
475.30457	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3427
Annotation	2,3-diepi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
52.51410	0.5
55.38465	0.5
59.01380	5.2
61.98816	1.4
62.99607	0.6
69.36720	2.6
71.23636	0.5
78.95882	1.7
83.05044	0.6
84.65839	0.5
99.04509	0.5
108.48980	0.5
111.08157	1.2
115.36935	0.5
116.13445	0.4
123.08152	2.8
128.14806	0.6
135.04588	0.7
135.08228	2.6
141.09264	0.6
149.00883	0.9
149.06068	2.1
150.06865	27.5
151.01328	0.7
151.07274	0.7
152.99541	1.3
162.06871	4.2
163.07645	100.0
164.07996	3.2
175.84442	0.5
176.08408	2.1
177.09212	3.3
179.03481	1.0
180.03935	0.6
195.00580	0.5
195.18092	0.5
237.17485	0.5
246.16341	0.6
261.18524	4.5
272.14243	1.2
279.23267	5.4
287.16534	27.6
288.16855	1.4
290.15308	1.3
305.17581	32.2
306.17935	1.6
316.82730	0.6
431.31558	0.9
475.34290	46.9
476.34610	4.4
484.21243	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67661	0.5
59.01379	2.0
61.98831	100.0
69.46212	1.9
71.01399	0.7
102.65081	0.5
112.98775	0.8
125.87408	0.5
187.32542	0.5
213.41174	0.6
410.98508	0.6
476.29776	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	476.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94579	1.2
59.01353	1.8
61.98829	3.6
69.31417	6.6
78.95902	19.2
83.28133	1.4
120.22897	1.7
132.96489	1.3
140.01204	2.7
146.43620	1.3
152.99675	2.0
160.84171	1.6
164.83560	2.5
196.03772	5.5
196.99902	1.3
214.04878	2.9
244.04333	1.4
244.48189	1.3
279.23294	100.0
280.23529	7.8
290.88022	1.6
301.21744	25.2
302.22092	1.8
318.20258	1.4
476.27762	23.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2779
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
54.19095	0.2
56.85189	0.2
59.01377	0.4
63.37896	0.3
69.23839	1.2
69.24226	0.5
78.95906	7.9
111.13663	0.2
123.75191	0.2
140.01172	2.3
140.25972	0.2
152.99602	0.9
170.16341	0.2
179.34277	0.2
193.47000	0.2
196.03778	1.4
214.04857	3.3
249.08374	0.3
261.22107	0.6
276.85510	0.3
279.23291	100.0
280.23618	7.2
451.50296	0.3
466.25845	0.3
476.27814	9.5
477.28064	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	0.6
69.23940	2.5
74.24181	0.5
78.95905	27.4
83.03185	0.5
91.68518	0.5
96.16451	0.5
98.21861	1.1
122.00172	0.8
140.01195	7.5
152.99554	2.9
171.00681	1.3
196.03801	10.0
214.04855	2.8
279.23300	100.0
280.23676	4.5
391.14288	0.5
476.27814	38.2
477.28101	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
61.98834	0.6
68.78050	0.3
69.34040	1.9
78.95904	100.0
96.96965	7.9
140.01161	1.1
152.99586	16.6
171.00641	18.9
196.03812	0.6
279.23279	8.6
296.23169	0.6
335.58130	0.4
356.99390	0.4
375.05386	0.4
394.19971	0.5
402.23984	1.8
476.27805	63.1
477.28156	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	477.104
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.85629	0.2
56.01644	0.1
59.01373	0.2
61.23919	0.1
63.02398	0.4
65.00328	0.4
69.15395	0.6
69.15800	0.3
77.77483	0.2
83.01414	0.2
91.01918	0.2
100.26723	0.2
105.82664	0.1
107.01421	0.8
112.98786	0.2
125.02460	0.4
133.02953	0.3
135.00911	0.2
135.04526	0.5
145.52806	0.1
151.00381	2.7
152.01083	0.2
153.01924	0.5
155.05096	0.2
156.02885	0.2
161.02434	0.2
163.00319	0.3
164.01178	0.2
169.01468	0.2
171.04527	0.7
173.02379	0.2
175.04027	0.3
178.99876	0.6
179.03448	0.4
183.04428	0.2
187.04007	0.5
189.01888	0.3
197.02438	0.2
198.03067	0.2
199.04004	4.1
201.01924	1.4
202.02652	0.1
203.03476	0.8
204.04201	0.6
205.05006	0.2
211.03917	0.2
215.03484	3.9
215.54980	0.2
216.03941	0.2
225.01913	0.5
226.02661	0.9
227.03497	4.2
228.04016	0.2
229.01372	0.4
241.01358	0.2
242.02203	10.1
243.02966	43.2
244.03323	1.6
254.02263	0.2
255.02957	0.9
256.03543	0.2
257.04553	12.1
258.05023	0.5
269.01233	0.2
270.01685	12.8
271.02472	43.0
272.02826	1.8
273.03940	0.3
285.04041	22.5
286.04767	7.3
286.07999	0.3
287.05185	0.3
299.01968	9.1
300.02722	5.2
313.03400	0.2
314.04312	47.6
315.04990	10.5
315.10483	0.3
316.05606	0.3
329.06604	0.3
342.03687	0.2
357.06131	1.1
389.31049	0.2
389.46658	0.1
477.10358	100.0
478.10724	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	477.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46647	1.6
58.39459	1.7
59.01376	20.4
60.31815	1.6
61.49664	1.6
61.98833	9.6
69.03451	6.2
69.14891	4.2
69.15298	4.6
70.05202	1.6
71.01373	6.7
71.05020	3.7
87.00877	15.9
89.02415	2.1
95.36383	1.5
101.02428	5.1
102.06857	1.6
103.00354	6.9
106.72398	1.6
107.05126	2.0
109.02963	2.4
112.98810	32.7
125.09693	2.4
129.74281	1.8
130.99869	4.6
133.02925	4.4
134.03749	8.7
135.04527	95.6
139.00362	2.6
139.11324	2.8
161.02428	10.1
161.04485	2.2
161.09808	2.3
161.21935	1.7
163.04001	3.8
179.03494	71.1
179.10777	7.1
183.10272	25.2
191.03496	4.7
197.11821	100.0
198.12221	2.2
216.26970	1.7
219.03011	11.6
222.27802	2.0
241.10861	11.4
253.09186	2.8
293.03043	12.8
305.69202	1.9
315.10822	38.5
316.11099	2.3
339.02139	2.0
344.88083	2.0
477.19717	91.3
478.20053	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	477.1402
Annotation	Phloretin 2'-O-(6''-O-acetylglucoside)
Peak:m/z	Relative Intensity
57.02173	0.1
57.03452	1.1
59.01389	1.0
61.89750	0.1
61.98832	0.9
65.00320	0.7
67.01883	0.2
68.99821	0.2
69.03453	0.3
69.12865	0.1
69.61538	0.5
71.01398	0.4
78.37295	0.1
79.05506	0.2
81.03455	12.6
82.03778	0.2
83.01378	5.7
85.02932	0.3
87.00868	0.2
90.02682	0.1
93.03458	5.0
95.01393	0.4
95.05049	0.7
97.02949	0.7
98.21942	0.3
99.04526	0.3
107.01379	0.8
107.05048	0.2
108.59460	0.2
109.02959	0.2
110.36727	0.1
111.04509	0.2
114.16028	0.1
119.05027	14.3
120.05338	0.2
121.02963	0.4
122.03739	0.2
123.04527	27.7
124.01682	0.3
124.04861	0.7
125.02449	10.4
126.02795	0.2
131.01347	0.4
133.02950	0.3
134.03717	0.6
135.00873	0.2
135.04539	1.7
137.02417	0.7
137.06120	0.3
138.03224	0.2
139.04021	0.8
145.06589	0.2
147.04526	0.5
149.02425	1.9
149.06079	0.5
151.00356	2.6
151.03978	0.8
152.01204	0.6
152.99565	0.4
161.02562	0.1
163.03992	1.6
165.05563	0.6
166.02698	0.9
167.03494	76.6
168.03838	1.8
171.04555	0.2
173.02415	0.3
175.00330	0.8
175.04070	0.2
178.06265	0.4
179.03503	4.8
180.04121	0.2
181.03586	0.2
181.05069	3.1
187.07695	0.5
189.05556	2.0
191.03499	9.4
193.05054	0.6
193.08682	0.6
200.06564	0.2
203.03497	1.4
205.05118	0.2
209.04536	5.8
215.03535	0.1
221.04556	2.4
229.08742	1.3
233.04539	0.4
242.02217	0.2
243.02991	0.9
247.10805	0.2
255.06531	0.2
257.04416	0.3
269.08170	0.2
270.01642	0.3
271.02475	1.0
272.06662	0.2
273.07672	100.0
274.08002	4.1
279.06580	0.2
285.04068	0.4
285.07596	0.2
286.04791	0.2
287.09238	0.3
289.07361	0.2
289.11935	0.2
297.07675	18.6
298.08102	1.0
299.02011	0.3
300.02609	0.3
314.04300	1.1
315.05228	0.2
315.08722	5.8
316.08902	0.3
327.08765	2.6
339.08765	0.4
359.06198	0.1
371.09760	0.2
439.18744	0.8
459.13168	0.3
477.14932	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	477.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44878	13.1
59.01381	48.2
61.98818	63.8
69.15335	100.0
71.01369	18.0
74.10271	16.2
79.63147	14.7
91.04929	13.0
96.48286	12.7
96.81810	14.1
98.65395	13.5
101.02422	15.1
116.53217	14.8
118.98135	16.6
179.03564	28.3
208.95155	16.7
332.12051	14.7
340.54523	16.2
345.22986	17.5
477.15051	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	77.8
69.33463	29.6
71.01379	78.5
71.24924	6.5
78.25749	5.5
84.38140	6.2
85.02955	6.5
89.02443	87.0
97.02935	12.0
101.02444	18.7
113.02457	17.2
123.04530	83.9
125.02427	32.6
131.03503	19.4
149.04555	42.9
191.05592	10.2
221.46275	6.4
293.08780	100.0
294.09183	7.5
370.55887	5.6
373.12814	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	477.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91788	1.3
51.79808	1.1
53.69138	1.5
55.36362	1.3
56.88568	1.2
59.01384	89.1
61.98830	34.0
65.70584	1.2
71.01374	3.8
71.42067	1.7
74.19096	1.3
75.75285	1.4
85.02950	2.2
89.02460	1.6
93.03477	5.0
95.01402	1.5
96.96033	1.4
109.02917	1.5
112.98788	1.6
113.02493	2.0
119.04984	1.4
121.02901	1.9
123.00868	4.0
124.01654	1.4
124.07701	1.4
137.02443	5.0
138.03194	6.7
139.24930	1.4
145.03000	1.8
147.04550	1.8
149.02368	6.2
150.03284	1.8
151.00375	18.6
151.03986	3.1
152.01131	4.4
153.01968	2.2
153.05605	8.9
159.04506	1.7
161.02461	2.8
162.03235	1.3
163.04002	5.2
164.04807	9.7
165.01932	15.5
165.05576	3.5
166.02705	44.2
167.03448	4.6
173.02470	1.6
174.03319	1.5
175.03986	5.2
176.04845	1.5
177.01904	5.4
177.05501	2.1
179.03535	9.0
179.07140	7.9
180.04327	9.1
181.05075	42.4
187.04037	2.4
189.05618	1.5
190.02704	1.8
190.06262	1.9
191.03479	10.6
192.04324	8.8
193.05019	3.2
194.05754	6.1
195.06647	13.7
201.05530	2.2
203.03476	3.0
204.04359	1.8
205.05016	7.5
206.05836	12.0
207.06589	9.9
210.00938	1.3
220.07423	4.5
221.08191	22.0
225.51370	1.3
233.08173	2.6
235.07501	1.7
237.05586	3.0
237.09187	1.5
247.71486	1.3
251.09232	17.1
263.07098	7.9
264.04199	1.5
265.05048	6.1
269.17691	1.4
276.04376	1.6
279.06604	2.4
281.04752	2.5
291.06595	4.2
292.03693	3.0
293.04562	8.6
294.05481	1.7
307.06021	5.1
308.06821	12.7
309.07565	5.8
311.05640	2.1
320.12576	2.1
322.08450	3.9
323.09244	40.5
324.06464	1.7
324.09909	4.3
337.10748	9.5
338.11615	34.0
339.08557	5.8
339.12286	8.1
341.10156	2.5
354.10989	3.7
357.09637	2.1
357.13733	2.4
369.13434	33.9
370.13718	1.9
372.12021	3.1
374.17380	2.3
387.14545	100.0
388.14777	3.3
399.14319	3.6
417.15405	6.7
417.18155	7.0
417.24631	3.3
429.11801	6.6
435.19147	5.7
444.14273	3.0
447.16519	3.0
459.16663	6.2
462.15317	2.2
477.19778	22.0
477.30484	3.6
478.20853	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76723	1.1
59.01383	15.1
60.43525	1.5
61.98843	6.1
63.42943	1.2
69.03450	3.2
71.01386	7.1
71.05029	1.7
73.02921	1.3
85.02946	1.5
87.00861	2.1
89.02438	7.9
101.02454	6.5
113.02445	3.0
119.03465	1.7
135.04480	1.2
161.04504	2.2
161.09708	2.0
163.03822	1.0
179.10760	5.6
197.11830	68.6
198.12199	2.2
233.80537	1.1
241.10812	5.3
247.82639	1.1
253.09227	4.6
301.98715	1.3
313.03378	1.4
345.22836	1.8
387.18140	1.1
477.19769	100.0
478.20126	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	477.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73034	0.5
59.01472	3.6
61.98932	2.3
70.15521	0.6
78.95985	0.7
90.97257	1.1
132.98199	10.7
138.72398	0.6
158.84825	0.6
174.99408	1.2
185.01355	0.7
206.89751	0.6
211.03070	2.1
213.04453	2.6
262.35126	0.6
295.22913	1.7
301.21780	7.5
309.20679	0.9
315.05682	1.0
319.22726	7.0
347.18860	0.7
371.15033	0.7
373.17282	0.6
375.18573	2.9
379.18231	0.6
387.18011	0.7
389.20004	4.7
391.21671	5.3
417.19586	100.0
418.20041	6.0
426.92084	0.6
431.17264	1.3
435.20590	0.9
441.02655	0.5
461.18579	7.9
477.13885	1.3
477.21619	37.3
478.21832	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27080	1.4
53.48521	1.1
54.19144	1.4
59.01380	7.7
61.98819	2.1
66.46097	1.2
69.03459	14.1
69.52624	4.1
71.05029	2.6
74.87059	1.2
78.95897	1.8
102.25948	1.3
132.98195	1.5
135.78093	1.2
148.06923	1.2
152.99493	2.0
158.84662	2.6
164.83595	3.7
174.99217	4.1
185.01294	2.1
187.02838	6.0
189.97942	1.5
209.81007	1.3
247.20676	4.4
319.22757	16.8
389.16400	9.9
391.21582	5.8
396.35077	1.4
417.19638	56.4
418.19824	3.7
439.08914	2.3
477.21680	100.0
478.22272	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	477.262
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43448	0.5
61.98831	1.3
78.95906	7.4
109.38451	0.5
120.96930	2.7
121.99816	0.5
138.98024	1.8
148.57875	0.5
152.99619	3.0
162.06854	0.9
167.39355	0.5
195.00681	3.2
198.02571	0.5
213.01750	1.4
251.97475	0.5
255.23303	0.7
281.24869	100.0
282.25171	5.7
354.27661	0.5
477.26221	19.9
477.31271	0.7
478.26440	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
60.17765	3.3
61.98826	14.4
70.65515	5.8
71.01379	19.6
73.02940	8.8
74.24594	2.8
82.24769	2.9
85.02949	10.3
87.74191	3.2
89.02438	6.2
99.63512	3.2
101.02437	14.6
112.98788	4.1
113.02467	10.3
125.87305	4.1
133.02904	3.0
152.99634	3.6
161.04550	13.7
169.20982	2.9
175.43819	3.1
193.93788	3.1
199.90660	3.4
204.72359	3.2
257.99399	3.5
300.02710	12.4
315.05225	5.8
396.33112	4.0
417.24982	57.5
441.06595	4.0
492.94080	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	477.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05869	1.4
58.22195	1.8
59.01379	100.0
61.98827	21.2
66.25574	1.9
71.01383	15.1
73.02948	6.0
82.95434	2.9
83.01385	3.1
85.02956	5.4
89.02451	5.3
95.01440	1.8
96.96035	2.1
97.02950	1.8
101.02421	14.9
112.98774	2.3
113.02425	8.9
133.02974	2.8
134.03743	42.6
135.04570	13.2
143.03552	2.3
148.05370	2.1
149.06082	29.9
159.03020	1.9
161.04543	13.1
177.44965	1.8
179.05634	1.9
180.33470	1.7
204.06628	1.8
215.07140	1.5
225.51115	1.6
248.11624	2.2
273.08740	3.2
274.09573	13.0
275.09851	2.0
289.11926	24.2
290.12161	1.8
293.03146	1.9
417.24933	40.4
418.25266	4.0
439.18704	45.3
440.18997	3.2
441.19293	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	478.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36982	0.7
58.73513	0.5
59.01381	0.8
60.51376	0.4
61.98829	100.0
71.01400	0.7
72.30183	0.4
75.01956	0.5
75.20461	0.5
94.39703	0.5
127.40097	0.5
223.90919	0.6
281.14053	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13623	0.8
53.98096	0.7
59.01379	4.3
61.98830	100.0
69.70776	2.7
71.01384	1.1
71.38322	0.8
89.74187	0.7
91.87951	0.6
103.26830	0.9
110.07763	0.7
119.05041	1.0
155.95399	0.6
161.02477	1.7
169.27583	0.7
179.03596	0.7
180.04219	1.0
195.06728	1.8
196.06947	0.9
295.44916	0.8
311.08087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67986	3.2
57.06102	3.5
59.01350	4.4
61.98830	10.3
70.98687	5.8
72.46134	3.1
101.72228	3.3
121.02948	25.8
122.03749	10.6
139.11279	4.0
151.06412	25.8
152.07193	31.8
248.61169	3.5
291.19653	100.0
316.83014	3.8
442.25867	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
58.29082	0.3
66.34055	0.3
69.81345	0.7
78.95902	4.5
97.69017	0.2
140.01187	2.1
152.99582	0.5
196.03784	1.1
199.33800	0.3
214.04842	2.4
281.24860	100.0
282.25195	4.4
329.54156	0.3
478.29349	11.6
479.29611	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66376	0.3
61.38133	0.3
62.96421	0.4
68.00398	0.3
69.25627	0.8
69.26027	1.3
77.14617	0.3
78.95903	25.2
96.96931	0.5
98.21864	0.6
100.28880	0.3
101.06073	0.5
105.49492	0.3
111.48064	0.3
122.00129	0.9
140.01192	5.7
152.99574	2.5
171.00589	1.7
176.69185	0.3
182.12120	0.3
196.03780	9.2
214.04893	2.4
239.15343	0.3
281.24847	100.0
282.25217	4.8
320.24109	0.3
419.27982	0.5
426.18329	0.3
478.29370	36.7
479.29562	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	478.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.5
61.98827	1.3
69.66077	0.6
69.66423	1.8
72.86697	0.7
76.34760	0.5
78.95900	5.8
83.13760	0.5
83.76660	0.6
88.55118	0.5
102.60396	0.5
160.84213	4.9
166.26421	0.5
168.04340	0.9
206.31657	0.6
224.06882	0.8
242.08058	1.8
253.21721	100.0
254.22144	3.5
308.85873	0.6
405.32538	0.6
478.05441	3.1
478.29385	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	479.0831
Annotation	(-)-4-O-galloylbergenin
Peak:m/z	Relative Intensity
51.17929	0.8
59.68343	0.9
61.98842	1.1
65.33597	1.1
69.64812	3.6
77.26802	0.9
104.13438	0.8
107.01370	2.2
119.91167	0.9
121.02975	3.0
123.00895	3.6
124.01670	7.0
125.02447	10.9
136.01669	1.0
137.02431	3.9
138.03247	0.8
139.03934	0.9
139.96616	0.9
149.02437	4.0
152.01137	1.2
152.06927	1.0
161.02434	1.7
162.03212	1.9
164.01176	5.9
165.01915	4.3
166.02696	2.0
166.75513	1.0
168.00644	5.1
169.01393	8.7
177.01884	1.9
178.99944	1.0
179.03419	1.8
183.02956	1.4
189.01865	1.6
190.02719	3.9
192.00655	62.2
193.01422	67.2
194.02165	6.3
205.01384	2.6
206.02199	2.2
207.02991	13.3
211.02467	9.6
221.00861	1.9
222.01781	2.3
234.01700	6.3
235.02498	7.3
237.03954	1.0
239.08409	0.9
249.04042	2.1
271.04617	3.7
312.04965	5.7
313.05710	6.2
327.07166	3.5
464.05957	1.4
479.08322	100.0
480.08310	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	479.1195
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
54.48576	0.9
57.03442	3.7
57.85401	0.9
59.01369	2.1
61.98831	9.1
63.59102	0.8
65.00314	3.1
65.69000	1.0
69.03466	1.0
71.01376	1.4
72.99332	1.1
77.57773	0.9
83.01385	4.0
85.02961	1.2
87.00880	3.6
94.98090	1.0
95.01386	6.8
96.02186	1.8
99.35288	0.8
108.02169	2.2
109.02915	1.4
111.00903	1.4
112.98790	4.3
113.02483	1.0
119.05036	3.9
123.00874	3.6
124.01666	11.3
125.02450	43.6
133.02963	2.5
134.03745	1.1
135.00819	1.0
135.04536	3.3
137.02437	1.7
139.00356	1.5
145.02954	1.2
149.00888	2.6
149.02342	1.7
150.03304	1.1
151.00372	9.2
152.01160	27.2
153.01912	1.8
161.02428	3.1
163.03992	2.5
165.01950	4.8
175.04012	0.9
178.99878	7.9
179.03529	3.2
180.00670	2.5
183.04420	1.1
187.03993	1.1
188.04805	1.3
191.03494	1.4
192.04301	1.7
201.01744	3.7
203.03571	1.1
207.06754	2.1
214.06386	1.0
216.04263	1.2
219.02980	1.1
229.08636	1.1
230.05746	1.9
231.06618	3.8
245.08423	1.1
256.03711	0.9
258.05374	3.2
273.07706	5.0
274.04849	2.8
277.03571	1.8
289.07162	39.3
290.07480	1.6
293.03012	1.2
299.05780	2.5
317.02911	1.7
317.06653	35.0
318.06918	1.2
347.15244	1.4
408.91293	0.9
435.28870	1.0
441.98495	1.1
479.11945	100.0
480.12192	10.3
481.42273	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1196
Annotation	Padmatin 5-glucoside
Peak:m/z	Relative Intensity
57.03455	9.7
59.01379	4.4
63.02391	1.1
65.00330	2.7
65.51224	1.1
71.01387	2.3
71.42718	0.9
72.99321	1.7
76.27364	1.1
81.03465	2.0
83.01405	6.6
83.10281	1.0
87.00879	17.9
88.98800	1.2
89.02452	1.5
89.05825	1.1
93.03458	2.5
95.01352	1.2
97.02949	1.7
101.02439	1.2
107.01393	4.7
108.02204	1.8
109.02944	4.0
112.98792	6.3
119.05029	8.9
121.02940	3.1
124.01649	3.8
125.02450	95.6
126.02802	2.6
133.02963	2.5
134.03770	7.0
135.04539	15.1
136.01675	3.5
137.02429	5.6
137.06062	1.4
139.00401	1.9
139.04012	3.3
145.02936	1.5
147.04498	1.1
149.00903	1.6
149.02452	10.9
151.00374	27.6
151.04031	3.4
152.01155	19.1
153.01939	11.8
161.02452	8.6
163.03998	10.7
165.01935	31.0
166.72807	1.2
167.03470	1.7
170.99098	1.4
175.03934	1.4
177.01822	1.2
178.99878	16.7
179.03485	11.7
180.00519	1.3
184.05289	1.3
185.02194	3.0
188.04747	1.8
189.01723	4.0
191.03514	2.5
201.01682	22.4
202.02074	1.3
209.04570	6.4
219.02968	4.7
227.03395	1.4
230.05876	2.9
231.06595	2.7
239.03452	1.5
240.04204	1.4
243.02737	1.3
255.02931	1.1
255.06720	1.8
256.03793	5.9
258.05344	2.5
273.07645	5.2
274.04926	6.3
277.03665	1.4
281.13901	1.4
283.02371	1.7
284.00174	1.4
284.03268	23.9
285.03531	2.3
289.07166	83.4
290.07446	3.8
293.02991	7.3
299.05597	75.6
300.05930	4.1
313.06686	1.2
317.02893	2.5
317.06625	39.5
333.02222	2.3
341.06589	1.9
342.05872	4.6
448.68018	1.3
451.12125	2.7
461.10928	3.3
479.11926	100.0
480.11969	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	479.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03637	4.2
59.01386	32.8
61.98830	28.1
68.34449	4.3
71.01382	9.6
73.04566	4.4
89.02437	9.9
94.35902	4.7
96.96014	10.9
101.02461	4.8
135.04532	100.0
150.42148	5.3
167.07019	4.6
193.05128	6.2
217.00322	6.1
280.85986	4.9
326.06561	6.7
333.08374	7.3
459.12268	5.1
479.13138	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	4.9
59.01381	8.5
61.98831	35.4
69.44604	4.2
71.01354	2.1
72.99311	5.8
83.05030	3.2
87.00883	1.6
88.71960	1.3
89.02446	5.0
90.02737	1.3
95.05024	2.3
96.02034	1.6
96.96021	5.5
96.96960	1.5
98.22771	1.5
111.04514	2.2
111.08152	1.3
124.05298	1.5
129.95450	1.4
139.07652	11.1
150.94002	1.4
153.09157	1.8
171.11836	8.8
183.57950	1.4
189.12842	4.6
197.02185	3.4
201.12943	2.2
207.13852	3.1
219.13881	2.8
237.14935	20.3
281.13947	100.0
282.14246	3.4
323.14880	2.3
353.32959	1.5
359.11237	2.1
443.19101	6.4
479.10388	1.7
479.16837	27.9
480.17111	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	479.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.1
59.01379	8.4
60.21560	0.9
61.98817	4.1
71.01382	5.2
71.05011	2.3
71.63237	1.1
73.04060	1.3
82.95416	1.4
84.78484	0.8
85.02930	1.1
87.00874	1.6
88.04005	1.1
89.02446	4.1
97.02935	3.2
99.00883	12.4
99.69833	0.9
101.02440	3.0
110.03733	1.1
115.00360	2.6
123.22231	0.9
125.09719	4.6
129.10286	1.1
132.03033	1.0
149.04610	1.1
155.12639	0.9
160.55795	0.9
163.11263	6.3
164.11555	0.9
181.12357	15.0
186.12450	2.8
189.23473	1.1
198.41977	1.1
199.13383	11.7
207.10228	20.5
208.10594	1.1
225.11317	38.1
226.11685	2.2
243.09966	2.0
243.12335	27.7
244.12967	1.1
253.09262	1.7
277.38351	1.0
315.18149	1.9
333.19208	1.6
363.20349	1.8
364.18723	3.0
479.21313	100.0
480.21521	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	479.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02999	0.7
55.01897	0.8
59.01379	6.4
61.98833	1.4
71.01380	4.3
71.05015	1.5
73.02947	1.1
77.97662	0.7
82.95397	1.2
85.02972	1.0
87.00883	1.3
89.02449	3.6
92.20454	0.8
92.97475	1.7
97.02953	2.6
97.06600	1.3
99.00883	16.3
101.02432	4.1
110.03767	1.0
113.02419	2.1
117.71677	0.8
119.05003	1.2
125.09726	4.0
136.60721	0.8
155.14429	1.1
162.69397	0.8
163.11287	7.5
181.12373	16.7
186.18494	0.8
192.00653	0.8
193.01402	2.4
196.03523	0.8
199.13396	11.4
207.10271	20.4
211.02563	0.8
225.11320	34.1
243.12378	24.7
244.12723	0.9
253.09334	2.6
279.12384	1.4
317.16116	1.2
339.68204	0.8
479.08179	3.0
479.21323	100.0
480.21652	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	479.2497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60347	0.4
59.01378	100.0
60.01712	0.6
61.98827	0.6
69.47779	0.7
69.48177	1.2
73.99356	0.4
76.84655	0.4
87.04514	4.2
98.22630	0.8
101.02456	0.3
107.70220	0.4
152.45686	0.3
160.84224	3.3
162.83920	4.9
169.12564	0.4
189.19206	0.5
204.29628	0.4
441.25015	0.5
479.01987	3.0
479.26407	0.6
480.01352	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	479.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.31367	0.4
60.01107	0.4
69.11218	0.4
69.50301	1.9
81.99899	0.5
87.04516	8.0
104.92092	0.4
466.60361	0.5
471.68967	0.4
486.11600	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61303	0.7
59.01379	100.0
61.98809	0.9
69.30676	3.0
69.31089	1.4
78.95909	7.6
114.66873	0.7
152.99550	2.0
206.57904	0.8
232.07716	0.9
255.23294	1.1
479.29605	5.9
480.30411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55110	0.4
57.66244	0.4
59.01380	100.0
60.01715	0.6
67.74103	0.4
69.96572	1.1
69.96908	0.4
78.95918	1.5
97.50079	0.4
98.22533	0.7
121.16147	0.4
125.09789	1.4
131.03523	1.3
152.99585	0.4
164.67168	0.5
169.08749	0.7
223.17114	0.5
269.25003	0.6
365.19730	0.7
419.27591	0.5
436.54666	0.4
479.30368	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	479.351
Annotation	Unknow
Peak:m/z	Relative Intensity
80.96616	92.0
85.64020	100.0
98.59109	83.8
165.11122	99.7
190.15057	76.2
197.35086	94.2
440.57065	85.9
444.88232	90.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88462	0.8
59.01379	22.4
61.98831	100.0
65.79285	0.8
71.01373	4.3
73.02949	4.9
75.53973	0.9
76.18510	0.8
78.95869	0.9
81.21275	0.8
83.01393	1.4
87.00887	1.4
89.02436	2.5
93.03458	4.2
94.03781	1.6
101.02445	6.3
104.61749	0.8
112.98835	1.1
113.02446	1.9
119.03410	1.1
125.06384	0.8
125.66284	0.8
135.04535	1.0
137.02446	6.1
138.02751	1.8
143.10800	1.7
149.04562	2.0
158.81310	0.9
161.02554	1.1
161.04578	2.3
167.58685	1.0
179.03516	1.6
191.42007	0.9
197.14755	0.9
291.10794	1.0
480.15955	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01072	1.2
59.01379	34.7
61.98831	100.0
62.80094	0.4
69.07480	3.8
71.01379	5.1
73.02926	2.8
85.02969	2.3
87.00904	0.7
89.02428	2.9
95.01383	0.6
96.96028	0.7
101.02459	4.7
112.98811	1.0
113.02458	2.3
119.03523	1.5
135.04526	1.0
143.03522	1.0
148.41379	0.5
149.00940	0.9
152.99635	0.7
161.02570	0.7
161.04597	2.2
168.04391	0.5
179.03558	0.8
179.05571	0.7
195.09338	0.6
198.58282	0.6
203.05733	0.6
237.84184	0.6
331.17651	3.1
373.18561	3.1
477.45682	0.6
484.97046	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92781	0.2
59.01378	27.6
60.01701	0.2
61.98828	100.0
69.31281	1.1
71.01379	2.7
73.02953	2.7
83.01406	0.7
85.02969	1.0
87.04533	0.3
89.02450	1.7
95.01404	0.2
98.21935	0.4
99.00886	0.2
101.02439	3.7
112.98834	0.3
113.02472	1.4
119.03490	0.5
128.03453	0.3
131.03477	0.2
138.02815	0.2
143.03537	0.5
149.04469	0.3
152.99698	0.3
153.51891	0.2
161.04536	1.0
179.05606	0.4
221.06612	0.3
331.17545	1.5
373.18622	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48550	2.9
59.01380	58.4
60.66799	2.5
61.98831	100.0
71.01391	40.4
71.30710	2.8
72.92840	2.9
73.02950	9.3
85.02954	4.1
87.00883	3.7
89.02448	63.9
89.35622	2.6
92.07870	3.0
101.02448	19.5
113.02470	8.1
125.02441	17.6
131.03503	15.4
132.54056	3.4
143.10780	77.0
149.04558	39.4
178.32394	2.9
191.05652	11.1
293.08780	42.7
434.19537	2.9
437.20200	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	480.2449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.4
61.98830	100.0
62.54970	0.4
71.01379	1.0
85.02987	0.5
89.02464	1.2
92.37612	0.4
98.21886	0.9
101.02460	0.4
102.05627	0.8
127.87017	0.4
143.10756	0.8
145.03001	0.4
146.04558	0.5
161.13066	0.3
163.11989	0.4
270.88132	0.5
289.16660	0.5
293.08929	0.4
355.32327	0.4
377.24347	0.4
480.26297	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92679	4.5
61.98833	53.1
62.40163	5.0
62.96529	5.2
75.77448	4.5
78.95900	57.9
87.26999	4.3
89.36372	5.2
90.26688	5.7
91.05522	5.4
96.79628	4.4
117.03475	9.8
140.01299	5.3
152.99597	47.0
191.11887	4.8
255.23291	100.0
283.26425	93.8
301.21759	6.2
319.22684	25.0
409.23447	5.3
418.61786	5.5
437.26953	11.9
480.27426	41.1
480.32303	7.3
494.12430	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3095
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
59.32717	0.7
61.98803	2.3
69.14764	4.2
78.95905	18.9
79.27631	0.8
79.53276	0.7
80.24110	0.7
140.01210	3.8
152.99612	1.2
154.64040	0.7
157.83316	0.8
196.03816	9.1
214.04852	1.8
255.23201	1.2
283.26431	100.0
284.26743	5.2
480.31046	34.4
481.31760	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96032	30.0
56.08327	29.7
59.01367	81.9
61.98832	57.4
71.42798	31.7
72.64595	32.2
73.96543	31.5
96.96017	83.8
101.02435	33.5
124.19678	34.1
125.87383	35.7
129.10162	36.8
137.12109	34.2
209.87561	35.9
445.16888	45.6
456.96616	35.7
481.14987	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	481.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95789	2.0
57.03456	3.8
59.01382	22.9
71.01389	8.6
73.02952	6.3
77.80106	2.2
85.02969	3.0
87.00875	5.8
89.02433	6.5
97.02929	2.3
101.02454	6.8
103.03982	4.1
105.03463	3.2
109.02931	4.0
112.98789	4.9
113.02510	2.2
119.05037	5.4
125.02449	32.5
126.02732	2.6
131.03459	3.7
133.02959	8.7
135.04565	11.2
137.02477	9.2
138.10941	2.4
143.03445	3.8
149.00940	5.3
149.02422	3.8
153.01973	3.5
161.02444	17.2
163.00395	2.7
163.04002	3.0
163.06131	6.0
164.01154	3.2
165.01901	8.3
174.07896	2.3
179.03505	7.7
182.02203	2.3
188.76117	2.4
205.07190	4.6
253.08755	5.2
256.45810	2.1
269.04520	5.8
287.05502	2.8
289.07297	4.2
301.07214	3.5
319.08078	4.9
341.67630	2.6
445.17139	100.0
446.17303	4.5
454.52087	2.2
481.14487	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52700	20.2
55.35175	17.6
87.00876	100.0
96.96016	31.0
97.02936	29.6
108.34315	22.2
117.94057	21.5
183.81631	19.6
189.45114	20.8
191.02354	19.0
202.74272	19.8
218.13033	21.0
377.02054	40.1
425.19138	21.6
467.03427	22.6
489.05658	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27200	4.9
57.13351	3.6
59.01080	5.3
59.01379	100.0
61.98822	15.2
70.87252	6.8
71.01382	13.9
78.95906	68.9
79.95734	5.7
80.91685	11.8
80.96513	5.5
82.95421	49.2
85.02935	5.1
89.02436	12.8
93.33497	4.1
96.96015	13.8
96.96968	9.3
101.02437	8.4
113.02444	4.8
119.03524	6.0
141.01701	59.7
147.44328	4.0
152.99605	95.4
155.94006	4.2
171.00591	8.0
197.01942	4.3
373.77762	4.4
395.16577	32.9
463.20868	5.9
481.21881	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1849
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
59.01382	16.7
61.98824	32.2
78.95908	55.3
80.91682	9.1
85.34114	8.1
96.96015	19.2
97.17973	7.8
97.80727	7.6
101.02459	8.4
120.75305	8.2
144.77306	10.1
152.99599	100.0
229.64404	8.4
238.90163	8.4
445.20999	10.3
481.18744	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1846
Annotation	Daphnetoxin
Peak:m/z	Relative Intensity
59.01360	26.7
61.98822	26.0
70.50790	27.4
71.01396	19.2
72.07846	20.0
72.90540	18.7
75.58694	18.5
149.04578	31.1
179.74283	21.9
190.35707	19.5
375.77835	21.7
481.18146	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	481.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36280	1.1
59.01379	100.0
60.01723	1.3
61.98831	13.3
69.03429	1.7
69.30100	6.1
71.01381	22.8
72.99310	2.1
73.02948	27.2
83.01388	2.6
84.72844	1.2
85.02946	9.1
87.00875	7.9
87.04519	3.3
89.02441	26.8
96.95999	2.0
97.02973	1.4
99.00816	1.1
101.02447	41.3
102.01892	1.2
103.04017	17.3
112.98811	2.3
113.02454	4.9
115.04019	7.8
119.03505	9.8
125.02413	2.2
128.03569	2.2
130.08705	2.2
131.03517	9.7
135.04514	2.7
143.03479	10.5
145.05060	5.5
146.04652	2.3
149.00963	1.3
163.06125	77.3
179.03508	2.1
179.05641	2.9
182.63048	1.2
205.07156	19.5
220.24817	1.1
265.09262	9.9
275.14819	1.7
421.20752	32.9
421.31750	5.3
422.21158	2.0
451.40411	1.2
481.11337	3.8
481.22409	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	481.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07995	3.4
57.01156	4.0
59.01386	99.2
59.49163	4.0
60.31284	3.4
61.98831	31.0
63.31118	3.4
65.06234	4.0
71.01390	44.1
71.44402	5.7
73.02955	9.6
81.12325	4.0
83.01396	6.8
85.02943	13.5
87.00881	5.0
87.44262	3.6
89.02446	45.6
90.26564	3.8
96.99677	3.6
101.02434	32.1
110.54375	4.2
113.02444	14.6
113.27246	3.7
116.92840	6.8
119.03524	6.4
131.03499	14.3
134.03734	4.1
135.04521	11.4
149.04532	27.0
152.99541	4.6
161.04485	5.0
179.03484	4.4
179.05634	3.7
191.05672	7.1
237.09268	22.7
266.91721	4.1
289.16626	19.0
352.15530	12.1
421.20795	100.0
422.21249	6.4
481.11197	6.5
481.23102	6.1
494.92908	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	481.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94765	2.6
55.01889	3.1
57.03452	3.4
59.01384	33.0
61.98817	9.0
68.61912	2.4
69.03447	12.5
71.01388	16.8
71.45506	2.7
72.99288	2.4
73.02931	7.9
83.01389	5.8
85.02940	9.5
89.02451	12.0
97.02931	5.2
99.00890	4.6
101.02443	20.9
105.61003	2.5
113.02417	7.8
152.99597	4.3
185.00890	11.8
248.09483	3.1
301.34216	3.0
304.90289	2.7
319.19067	4.2
481.24377	100.0
482.24692	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
71.49312	0.8
78.95903	42.1
96.96964	3.4
112.08730	0.8
152.99594	58.0
171.00633	16.6
203.12180	0.9
219.70888	0.8
227.03288	3.9
240.16455	0.8
245.04306	100.0
246.04572	2.1
253.21741	61.9
254.22124	3.4
255.59755	0.9
376.46564	0.9
408.51324	0.9
481.25739	50.4
482.26074	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
64.13065	0.8
69.41113	2.3
73.73228	0.8
78.95905	41.6
79.94610	0.8
96.96957	4.0
152.99583	58.9
171.00627	16.9
177.53392	1.1
216.88678	0.9
227.03235	3.6
245.04298	100.0
246.04738	1.2
253.21724	64.9
254.22086	2.7
286.50031	0.8
316.73715	1.0
467.59860	0.9
481.25735	51.9
482.07343	1.1
482.26074	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08421	2.1
59.01379	6.1
69.19439	4.0
69.19787	11.8
78.95904	29.2
83.05029	5.0
86.25050	2.1
96.96960	2.6
98.22603	5.1
108.25974	1.9
117.81882	2.2
150.80486	2.0
152.99585	50.8
162.83972	10.8
163.84009	2.7
164.83615	7.2
171.00639	7.9
194.43652	2.4
201.37288	2.2
227.03279	2.9
245.04303	55.4
253.21733	100.0
254.22115	6.4
317.21262	20.6
353.06406	2.3
370.02594	2.2
399.21548	16.9
437.72888	2.7
481.05334	6.8
481.25723	52.0
482.04578	2.6
482.25882	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	481.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
70.67033	1.3
78.95905	45.9
83.59899	1.0
96.96973	3.1
152.99586	61.5
160.48842	0.8
171.00629	16.4
226.53207	0.8
227.03313	4.5
245.04298	100.0
246.04665	1.4
253.21727	72.5
254.22070	4.0
255.23222	4.2
256.23660	6.2
481.25653	50.5
481.31369	3.3
482.26019	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	481.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.4
59.01380	51.0
61.98811	2.0
65.34180	1.0
69.13829	7.8
71.01385	12.3
73.02929	3.5
82.95386	2.6
83.01370	2.4
84.39015	1.1
84.95125	20.9
85.00425	2.8
85.02950	5.7
87.00871	1.6
89.02451	4.4
95.01388	1.3
96.95975	1.2
99.00816	1.3
101.02428	10.3
102.10876	1.0
104.00375	1.3
113.02458	4.8
119.03539	1.6
141.38351	1.1
145.63480	1.2
151.03941	1.3
159.02965	1.1
161.04543	1.9
209.03050	1.3
209.11679	1.4
231.74457	1.1
259.19150	1.7
267.93738	1.3
421.24301	3.2
463.25427	2.2
481.26535	100.0
482.27393	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	481.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61019	1.4
57.03447	2.0
59.01375	18.5
60.35623	1.7
60.81646	1.4
61.88268	1.5
61.98829	4.6
64.99959	1.3
69.41358	3.8
69.41745	2.5
71.01385	13.4
73.02952	5.5
75.32297	1.3
82.95428	1.8
83.01419	2.6
84.65327	1.6
85.02937	7.5
89.02441	5.4
91.01707	1.5
96.71071	1.5
101.02430	11.9
113.02441	5.3
119.03541	2.2
138.28967	1.3
214.05217	1.6
281.13947	8.7
282.14493	1.7
283.18900	1.8
301.20093	7.5
317.11877	1.5
319.21344	3.3
427.90906	1.6
463.25714	7.7
481.15942	2.9
481.26526	100.0
482.26965	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	481.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05689	0.6
55.01882	1.2
57.03434	0.9
58.37610	0.5
59.01380	46.2
61.98822	1.4
64.23412	0.5
69.13678	0.5
69.46295	2.6
71.01381	23.0
72.99291	0.6
73.02943	1.5
83.01373	2.0
85.02950	4.8
87.00872	0.9
87.60253	0.5
89.02440	21.3
95.01396	1.9
98.21935	1.3
101.02444	17.2
113.02450	8.0
119.03494	8.8
131.03503	0.6
161.04575	0.9
166.66888	0.5
196.65562	0.7
218.33536	0.6
227.31071	0.9
301.21747	2.1
319.22610	0.9
481.28070	100.0
482.28345	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	481.2805
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
55.01880	0.8
55.24020	0.2
57.03443	0.8
58.00594	0.8
59.01377	53.6
60.01724	0.3
61.98825	0.4
70.36789	0.3
71.01379	26.1
72.99314	1.2
73.02947	1.5
80.91658	0.4
83.01389	2.3
85.02945	6.3
87.00897	0.5
89.02439	23.1
95.01385	1.8
99.00871	0.3
101.02438	20.2
113.02444	10.2
119.03498	8.7
131.03488	0.5
141.01715	1.2
143.03503	0.8
149.04590	0.3
152.99629	0.4
161.04576	0.4
179.05569	0.7
204.06567	0.3
242.18468	0.3
267.13480	0.3
283.19269	0.3
284.19635	0.4
301.21671	2.6
319.22678	0.3
381.81329	0.3
395.15897	0.3
450.12827	0.3
474.00961	0.3
481.28036	100.0
482.28360	7.7
506.07672	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2808
Annotation	Virescenoside O
Peak:m/z	Relative Intensity
54.45412	0.5
55.01863	1.0
58.00585	0.6
59.01379	49.1
59.11815	0.5
60.01707	0.5
61.98829	0.7
70.65993	0.8
71.01381	21.0
72.99287	1.0
73.02944	1.4
75.70614	0.4
83.01380	2.3
85.02946	6.1
89.02444	22.2
95.01392	2.1
95.24204	0.5
96.95983	1.0
99.00859	0.7
101.02443	17.4
113.02457	9.1
119.03504	8.0
125.20027	0.5
126.22897	0.5
132.38376	0.4
143.03462	0.9
148.76257	0.5
168.93643	0.5
193.49886	0.5
197.30638	0.5
301.21738	2.7
319.22589	0.7
339.93649	0.5
402.85138	0.5
446.10651	0.6
463.78787	0.5
481.28064	100.0
482.28442	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	482.0663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96936	0.6
58.95130	0.5
61.98837	3.4
69.42436	2.8
125.87331	2.2
126.88112	1.0
127.87039	5.1
128.87827	1.4
136.40335	0.6
142.87579	1.6
143.40073	0.7
143.86632	0.7
144.87308	3.2
157.86359	0.8
159.86069	1.0
160.84218	3.8
161.84270	0.8
162.83920	100.0
163.84035	0.7
228.13388	0.6
319.22742	3.4
347.00912	1.3
384.21375	0.8
393.09082	1.2
401.22824	2.1
409.12421	1.1
431.06592	2.0
444.09314	11.9
445.09561	1.1
446.09006	27.1
447.09641	1.6
482.06665	37.6
483.06857	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	482.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88684	0.9
51.91182	0.8
54.18718	0.8
61.98816	2.9
69.22807	3.8
80.91670	1.3
86.85248	0.7
96.95977	1.1
108.02162	7.1
138.01968	100.0
139.02275	2.3
161.47792	0.8
170.66196	0.9
191.97414	0.9
238.41957	0.8
482.10751	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	482.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53909	1.8
61.98831	100.0
71.44113	2.5
78.95911	9.0
139.10480	1.8
152.99559	6.7
209.77817	1.8
242.86501	1.7
245.04308	11.2
246.04590	4.1
254.22037	6.0
255.23376	3.9
256.23608	5.9
257.23904	5.1
262.29657	2.0
482.25955	5.6
482.31885	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38896	0.5
61.98830	100.0
71.42149	0.7
78.95903	1.9
91.71832	0.5
152.99658	1.9
160.84372	0.6
177.16449	0.6
255.23280	12.3
255.25763	0.9
256.23804	1.0
257.24152	1.3
320.87320	0.6
343.05664	0.6
447.51691	0.7
482.14178	0.8
482.31921	1.1
483.27277	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	482.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	83.0
64.01272	5.1
69.67125	11.5
69.67512	10.5
78.95905	79.0
81.94778	5.5
152.99605	43.5
159.63171	6.3
171.00618	16.4
224.06851	11.3
225.07333	6.7
245.04330	53.3
246.04617	14.2
253.21664	15.5
254.22075	40.6
255.23349	80.6
256.23581	85.3
257.23914	100.0
277.21805	8.6
320.67676	5.7
439.24393	6.4
451.56601	6.1
482.25784	37.4
482.31558	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.07
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
61.67001	0.7
61.98823	1.9
63.25175	0.8
69.60259	0.8
70.22517	1.0
70.22850	1.9
71.01387	1.4
82.95420	2.4
83.01395	1.1
96.96022	2.4
98.22622	0.9
101.02425	1.4
105.03457	1.4
113.06027	0.8
121.02928	1.0
125.02428	1.1
133.02950	11.7
135.04553	1.6
147.04591	1.2
149.02437	0.9
150.53439	0.8
157.74414	0.8
161.02441	1.1
163.00377	1.9
163.04063	2.4
165.01924	1.7
175.03999	2.8
177.01892	1.4
185.01965	0.9
191.03496	1.8
193.01437	1.6
203.03378	0.9
232.80920	1.0
241.05000	1.7
255.03458	0.9
255.06485	1.3
256.03650	1.0
269.04562	1.3
284.03232	9.2
285.03983	8.1
297.04016	16.0
298.04736	9.9
299.05576	19.4
300.05957	1.1
311.05499	3.1
324.02521	1.0
325.03421	1.3
327.05093	100.0
328.05457	6.3
339.05093	2.7
341.06827	1.3
357.01971	1.6
357.06183	27.9
358.06448	1.2
369.06165	1.2
447.09317	83.1
448.09631	5.0
482.27133	6.8
483.27020	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	483.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.4
61.98824	1.6
66.13380	0.5
70.26628	0.4
71.01386	1.5
78.95905	7.8
79.95731	2.5
82.95380	0.5
88.67036	0.5
89.02457	0.7
90.47604	0.5
92.11906	0.5
96.96014	100.0
96.96930	14.0
98.02443	0.6
101.02466	0.9
112.98866	0.5
113.02497	0.6
113.92616	0.7
118.96603	1.4
132.98155	0.8
179.03537	0.6
217.00331	1.0
247.23619	0.5
283.78204	0.4
309.22540	0.5
340.12064	0.5
423.13470	1.3
423.18790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64301	0.3
59.01379	1.2
59.55468	0.3
70.20760	0.8
71.01388	1.1
73.02921	0.4
78.95903	6.2
79.95745	2.3
83.01387	0.4
87.00863	0.5
89.29365	0.3
94.98100	0.7
96.96014	100.0
96.96930	14.0
101.02439	0.3
113.02538	0.3
113.92588	0.5
114.72925	0.3
118.96668	1.6
132.98215	0.9
135.04462	0.3
156.92197	0.3
156.98178	1.0
160.97687	1.0
161.04556	0.3
170.99695	0.3
186.99214	0.5
198.99287	0.3
205.12352	1.1
217.00259	0.8
277.02597	0.5
321.10049	0.5
423.13196	1.5
423.18875	1.0
440.18188	0.5
483.15695	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06314	0.2
58.81992	0.2
59.01364	1.0
61.98827	0.5
67.26338	0.2
71.01369	0.6
78.95900	8.3
79.95737	2.2
80.91672	0.6
82.73840	0.3
82.95412	0.6
86.69961	0.2
87.00859	0.3
88.98824	0.3
89.02448	0.4
94.06325	0.2
96.96013	100.0
96.96928	15.6
98.93954	0.3
100.34631	0.2
101.02444	0.5
113.92596	0.3
138.01971	2.8
138.87596	0.2
139.02318	0.6
147.62779	0.2
149.02451	0.4
155.93880	0.3
161.04703	0.2
164.04767	0.4
208.03709	0.5
218.99734	0.5
223.06129	1.3
230.97124	0.6
233.01503	0.3
245.99254	0.6
261.01306	1.6
265.00214	0.3
290.98303	0.7
306.00543	0.7
321.02890	2.5
345.83737	0.3
423.18628	0.6
483.04230	0.3
483.13876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93719	0.4
53.38461	0.6
54.41024	0.5
55.43336	0.6
56.11201	0.5
59.01365	2.1
59.95745	0.6
61.98834	3.1
64.19524	0.5
69.03446	1.1
69.31125	2.9
71.01364	0.8
73.02943	0.8
75.04650	0.4
82.95419	0.7
84.00873	1.1
85.02948	3.0
89.02471	0.8
96.96013	1.2
97.02954	2.9
99.92612	0.7
101.02438	0.6
101.24712	0.5
112.04023	1.6
115.92049	1.0
116.92857	5.8
122.02475	0.7
124.24541	0.5
128.03525	1.4
130.90280	0.5
134.03738	55.3
135.04486	2.3
139.48528	0.5
140.03534	10.0
141.17337	0.5
148.05275	1.1
149.06079	39.6
150.06412	0.6
160.01642	0.7
161.02477	0.7
175.03996	0.8
176.01953	0.8
176.03529	23.4
177.04305	54.0
178.04747	1.1
189.04286	5.2
192.06657	100.0
193.07028	2.6
204.06641	8.1
230.07889	0.6
234.07672	0.8
247.09885	0.6
252.28914	0.6
272.09106	1.4
290.10345	35.3
291.10687	1.4
333.10977	1.0
483.06522	0.6
483.16486	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2004
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
58.52363	10.1
59.01380	83.4
61.98832	40.6
65.57893	10.1
69.26232	44.7
69.26634	24.8
71.01384	59.4
73.02946	19.0
77.96426	10.3
84.33635	11.1
85.02973	17.7
89.02451	24.3
92.97495	10.8
96.96011	20.8
98.21803	20.3
101.02441	45.8
102.05624	33.1
110.78222	11.1
113.02412	19.4
128.03540	24.1
146.04695	14.7
161.04536	25.5
232.84358	11.2
238.45837	12.2
246.20845	12.1
361.08908	12.1
440.34381	13.1
469.85712	12.8
483.20050	100.0
483.29019	45.2
484.29025	28.2
509.45908	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	483.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88504	7.9
59.01380	100.0
61.98829	34.4
69.19308	46.7
71.01379	68.0
73.02943	15.6
83.01372	18.2
85.02946	32.1
89.02453	20.9
101.02439	52.8
102.05613	25.6
110.41719	7.2
113.02454	23.6
128.03532	17.6
129.98964	7.7
136.35051	7.5
139.12735	7.9
139.28854	7.5
140.65582	7.5
146.04634	14.0
150.76303	8.3
159.81381	7.1
161.04584	34.9
208.89015	7.2
376.73611	8.2
437.23840	10.7
482.27896	10.7
483.19550	18.7
483.26712	74.7
484.26974	9.6
507.09320	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	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.5
59.01379	43.1
61.87727	1.0
61.98831	8.3
71.01386	27.4
71.41893	1.6
72.99308	1.1
73.02947	15.8
83.01391	10.6
85.02947	15.4
86.00134	1.3
87.00883	2.6
89.02458	4.0
90.57896	1.0
95.01382	1.6
97.02960	2.0
99.00884	4.3
101.02442	38.2
113.02446	14.2
119.03540	1.3
125.02472	1.9
125.87331	1.3
143.03526	1.9
158.65666	1.2
159.02985	3.6
161.04549	13.4
277.16553	52.7
312.27341	1.4
422.13461	1.2
423.22360	100.0
424.22580	6.1
483.26044	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06254	0.8
55.01868	1.8
57.03444	2.0
59.01382	41.3
61.98825	2.5
67.93127	0.8
69.97458	2.0
71.01380	26.2
73.02950	9.3
83.01383	7.2
85.02946	11.6
87.00878	2.3
89.02451	13.7
95.01375	1.6
97.02978	1.7
99.00880	2.7
101.02441	29.1
111.00862	2.8
113.02453	11.0
125.02462	1.4
129.19661	0.8
131.03514	9.5
135.04543	1.3
143.03532	1.4
149.00984	0.9
149.04575	2.7
159.02998	1.8
161.04564	6.1
167.03571	0.9
179.03423	1.1
191.05594	0.8
193.91780	0.9
194.57442	0.8
259.08472	0.9
260.09375	0.8
277.16498	2.8
280.22968	0.8
289.07254	1.3
290.07437	1.3
291.18149	22.0
292.18723	0.9
293.96408	1.0
423.22342	100.0
424.22760	5.4
483.25159	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	45.0
61.98846	5.9
71.01382	38.5
73.02947	18.2
78.95920	2.9
81.36923	2.4
83.01386	10.7
85.02950	18.4
87.00856	5.7
89.02467	7.1
97.02849	3.0
99.00877	6.8
101.02435	40.1
102.05629	5.6
109.96070	3.4
113.02439	16.5
128.03477	5.8
131.03511	3.2
135.04549	8.0
147.52286	2.9
149.00826	2.8
153.19342	2.9
161.04552	16.1
240.46832	2.7
291.18112	100.0
307.70605	3.5
308.75308	3.0
423.22363	93.2
424.22614	5.7
447.88007	3.2
483.27951	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86804	0.5
57.49720	0.4
61.98831	0.6
64.67400	0.5
71.30939	0.6
76.24525	0.5
78.95904	21.2
96.96964	2.0
138.28815	0.4
140.97968	0.5
144.71498	0.6
150.97934	0.8
152.99599	31.5
162.85855	0.4
171.00679	1.5
224.97672	0.5
227.03264	6.1
243.21410	0.4
245.04350	0.9
255.23294	100.0
256.23669	3.6
257.65366	0.5
290.12143	0.5
391.22571	0.9
483.27267	75.3
484.27701	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	483.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
63.76464	0.3
69.66949	1.0
78.95902	7.6
93.37064	0.3
96.96936	0.5
152.99591	15.4
159.89632	0.4
171.00624	1.1
197.40366	0.4
205.46373	0.4
227.03229	3.1
245.04362	1.4
255.23288	100.0
256.23611	3.1
372.49777	0.4
420.77765	0.4
483.27283	33.6
484.27609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48904	3.3
54.20895	3.6
58.05521	2.8
59.01381	100.0
61.96532	4.0
61.98843	4.8
68.02312	3.4
69.03455	3.3
69.15318	3.4
69.15628	20.7
71.01015	5.1
71.01386	68.0
73.02950	30.1
83.01379	6.0
85.02944	18.8
87.00880	5.8
89.02435	36.2
97.02940	13.3
99.00894	5.0
101.02451	53.9
103.04012	38.3
112.98830	3.5
113.02454	7.4
119.03498	18.4
120.52831	3.7
125.02452	51.5
127.03983	3.9
127.32488	2.8
131.03477	3.3
131.05022	3.7
133.06593	8.2
136.11746	3.9
143.03442	5.0
145.05103	9.8
161.04503	6.7
163.06139	53.4
170.35684	3.7
173.72279	3.6
185.58525	3.6
205.07300	4.0
243.78888	4.1
244.62358	4.0
247.08237	14.3
307.10406	44.7
441.17786	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	484.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
59.23090	0.3
61.98828	100.0
66.67638	0.3
69.31680	0.4
69.31952	1.4
71.01385	0.6
71.23727	0.3
73.02973	0.2
80.24928	0.2
87.07532	0.3
89.02453	0.4
96.96013	0.3
101.02431	0.4
102.02875	0.3
128.03461	0.3
128.43384	0.3
129.09200	0.3
134.03734	2.2
149.06068	1.8
252.18031	0.3
335.12506	0.6
358.95340	0.3
391.67029	0.3
484.25500	0.3
504.50250	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26751	12.2
59.01384	79.2
61.90345	10.7
61.98828	35.3
69.28966	51.5
71.01384	22.3
88.18198	11.4
98.21891	30.4
101.16248	11.1
102.05634	16.6
125.87296	18.0
128.03540	15.7
146.04578	11.4
160.84195	100.0
162.83960	16.8
164.83623	21.7
399.23990	27.5
402.06198	13.0
441.25082	13.9
448.70532	11.6
484.02640	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87156	1.4
59.01384	15.0
61.98819	4.3
65.42803	1.2
71.01379	2.8
71.05020	1.6
84.04536	4.8
85.02951	2.6
90.21140	1.2
101.02461	2.0
102.05611	49.0
112.64992	1.3
114.09228	2.8
128.03545	41.2
146.04585	18.9
159.01402	1.2
161.04565	1.5
202.91794	1.5
206.82243	1.1
289.26419	1.3
298.00943	1.4
325.23938	1.4
355.24863	19.4
440.30365	1.8
449.79892	1.4
454.08981	1.4
461.91431	1.4
466.28021	7.3
484.29150	100.0
485.29279	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	484.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13193	4.4
52.40762	4.2
59.01373	25.6
61.98834	19.3
71.01394	9.7
73.02972	4.0
85.02951	10.4
93.46800	4.4
95.66471	5.0
100.06759	4.0
101.02435	5.7
102.05614	63.1
111.00895	19.4
111.05668	4.5
121.02938	12.4
125.87291	10.4
128.03561	49.5
139.88936	4.9
146.04565	20.4
157.12393	4.8
160.84229	18.4
168.06053	4.6
191.85567	4.2
200.53014	4.6
329.02765	4.5
355.24814	17.1
402.08875	6.5
448.05197	15.0
466.27844	5.4
484.29276	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	484.2916
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
50.32692	0.6
57.03437	1.2
59.01381	7.3
61.98833	6.3
69.21786	1.3
69.22097	4.5
71.01391	3.1
72.04542	2.9
73.02937	0.9
74.02478	1.1
84.04551	5.0
85.02922	1.5
89.02448	3.2
91.05739	0.6
98.22610	1.4
101.02456	1.8
102.05611	39.4
112.98737	0.7
113.02439	1.0
114.09266	4.3
116.69988	0.9
121.10246	1.8
128.03543	42.6
146.04594	16.1
153.62378	0.7
160.84229	2.3
161.04539	0.7
164.64343	0.7
169.12338	3.5
247.94720	0.7
248.28830	0.7
300.27185	0.6
325.23828	2.4
331.72012	0.8
337.23798	2.2
355.24899	26.6
356.25186	1.7
410.29019	1.4
440.29987	5.5
466.28058	6.3
484.29153	100.0
485.29263	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	484.2918
Annotation	Novamethymycin
Peak:m/z	Relative Intensity
53.92415	1.3
57.03434	1.8
57.33422	1.2
58.44000	1.2
59.01369	4.4
59.38255	1.3
61.98824	3.7
62.16201	1.2
69.19817	7.9
71.01357	1.4
71.05006	2.3
76.77895	1.5
84.04550	6.2
84.45728	1.5
90.39440	1.2
95.30764	1.4
98.22610	3.1
102.05605	19.7
109.15512	1.4
112.93462	1.3
114.09264	1.7
123.08160	1.8
125.09704	2.3
128.03546	37.0
139.11363	1.5
141.01648	1.8
146.04567	5.3
153.12811	2.1
160.84235	4.5
162.83904	2.8
236.60408	1.3
268.22827	2.6
310.34186	1.3
325.23813	8.8
337.23752	3.0
355.24884	43.2
356.25241	2.5
366.30377	1.5
398.17770	1.8
410.28882	1.7
425.18457	1.4
440.30209	6.2
441.30191	1.7
448.05515	3.0
466.28098	5.4
484.29169	100.0
485.29367	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	485.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39113	0.4
55.19829	0.4
61.98829	100.0
67.54721	0.4
68.86947	0.4
76.73673	0.4
77.19370	0.4
81.12103	0.4
131.82793	0.4
143.29184	0.4
155.76329	0.4
182.24660	0.4
232.71159	0.4
411.48102	0.4
431.70212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.2
61.98830	3.4
64.03439	0.9
69.12105	3.9
69.12507	1.5
95.70368	1.0
134.03748	100.0
135.04556	11.4
142.51828	1.1
148.05327	2.5
149.06084	91.0
150.06371	1.3
160.01741	1.0
175.04018	1.1
176.03539	1.4
178.04976	1.2
185.05763	1.8
190.05125	1.0
192.06711	3.1
236.40816	0.9
273.12439	1.3
276.11194	4.5
278.60999	0.9
285.17014	2.4
291.13513	26.2
292.11642	1.9
335.12473	25.2
394.24979	0.9
455.14755	1.8
470.16763	1.1
485.19363	21.6
485.26416	1.8
486.19891	1.9
487.96756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	3.4
57.03458	3.8
59.01381	64.9
61.98819	0.8
69.03468	1.2
69.32074	3.7
71.01382	37.4
72.99315	3.7
73.02948	21.7
75.00874	1.2
81.51352	0.7
82.95440	0.8
83.01385	15.3
83.20203	0.7
85.02951	24.3
87.00867	2.4
89.02444	4.7
92.54020	0.7
95.01379	2.7
97.02951	2.8
99.00882	5.7
101.02444	48.4
103.04018	2.3
113.02454	18.3
116.97232	0.7
119.03458	1.3
125.02452	2.5
129.01978	1.4
143.03503	1.6
145.05043	0.9
159.02968	2.6
161.04555	15.4
163.00542	1.0
163.06110	1.8
180.16518	0.8
190.99864	1.7
221.04443	1.0
269.79456	0.8
279.14474	60.7
280.14877	2.0
307.10355	1.2
327.05136	1.3
425.20276	100.0
426.15012	0.7
426.20563	4.3
427.21695	2.5
430.08594	0.9
447.09335	1.7
485.22418	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	485.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98820	9.2
71.00713	4.4
71.01382	9.7
73.02951	4.1
95.91537	4.0
135.04518	4.8
135.41719	5.0
341.37994	4.7
443.26721	8.1
485.27530	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.289
Annotation	Camphoratin C
Peak:m/z	Relative Intensity
53.81974	1.4
59.01375	4.1
69.30334	7.0
75.51419	1.2
83.05032	4.6
96.96021	8.3
101.06085	46.0
201.06982	1.2
215.93889	1.3
246.76842	1.4
301.21667	14.0
403.28516	100.0
404.28961	4.9
485.28766	77.8
486.29102	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	486.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31401	0.2
59.01402	0.2
61.98832	100.0
69.35087	0.6
75.95535	0.2
98.09034	0.2
98.22603	0.4
118.43714	0.2
195.98734	0.2
237.01118	0.2
251.47658	0.2
268.87021	0.2
334.99518	0.2
423.19409	0.4
463.02780	0.2
483.06985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62270	0.5
59.01379	68.7
60.01713	0.6
69.15981	2.7
69.16613	0.6
76.19530	0.6
77.03960	0.6
79.41705	0.5
84.99319	0.9
87.00874	1.9
89.03947	0.8
95.05037	1.2
103.00394	0.5
105.03477	4.2
107.05015	1.0
112.98810	19.3
119.05020	0.7
123.04567	0.8
128.98338	0.6
132.02171	0.6
133.02959	24.8
134.03738	7.2
135.04517	7.4
137.02478	0.6
145.02962	0.6
147.04524	1.5
148.05318	4.8
149.06084	9.4
161.02403	2.1
161.06107	1.7
162.03358	1.1
163.03976	1.0
175.04056	2.9
176.03525	0.7
177.01924	8.0
179.03523	4.1
190.05122	1.7
191.03476	1.0
193.05049	5.4
195.02989	2.4
203.03517	0.8
204.06670	1.8
206.09537	0.8
219.02977	2.6
233.04607	0.6
247.02461	1.0
248.09270	25.0
249.10049	24.4
264.12402	100.0
265.12726	3.7
293.03088	2.1
307.04636	1.4
325.05560	1.7
462.15143	0.6
486.88928	0.7
513.51483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01670	7.2
58.64396	8.0
59.01380	100.0
61.86972	7.2
61.98831	60.9
68.31927	8.0
70.05267	18.5
71.01371	14.9
73.02942	11.3
75.00893	7.5
86.26307	7.4
86.85200	8.0
87.80700	8.2
88.04043	7.7
89.02443	8.9
90.96490	7.5
101.02468	12.0
132.03032	8.2
176.49803	7.8
285.40967	8.9
367.74280	8.9
486.26691	26.9
495.48410	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	486.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00363	0.5
59.01368	1.4
61.98828	100.0
62.69943	0.5
66.74483	0.5
71.01392	0.6
71.47166	0.7
112.98789	0.6
124.81968	0.5
131.84373	0.5
135.04488	0.5
146.50865	0.5
162.02667	0.5
179.03543	0.7
240.58083	0.5
281.17758	1.0
468.28012	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45421	0.4
59.01382	2.6
61.98829	100.0
63.01205	0.4
71.43342	0.5
75.86640	0.4
76.68816	0.4
79.27364	0.5
81.39257	0.4
87.45156	0.4
99.08530	0.5
101.02417	0.5
119.73633	0.4
123.28014	0.5
131.15154	0.4
134.03813	0.7
135.04494	0.4
136.22400	0.4
486.27490	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12525	0.3
70.67497	0.5
88.04044	60.3
89.04405	0.4
103.98164	0.3
109.26164	0.4
147.08136	1.9
149.09702	1.3
160.08920	0.7
161.09694	0.7
163.11276	3.1
187.11263	2.5
265.12497	0.4
279.13898	0.9
280.14697	1.4
307.17020	0.5
309.22440	2.2
321.18582	0.6
322.19376	1.0
337.21732	100.0
338.22043	7.0
382.27631	0.6
423.97226	0.4
486.26907	15.4
487.27234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
59.01376	2.3
61.98834	1.0
69.03470	0.4
72.04545	0.4
74.02481	0.6
74.19648	0.3
83.05006	0.3
84.04546	6.5
85.02972	0.4
96.86481	0.3
98.22616	0.7
100.04060	0.3
102.05611	17.2
114.09269	1.3
115.24194	0.3
123.87882	0.3
125.63811	0.3
128.03542	35.5
139.11296	0.9
141.12907	0.8
146.04614	2.9
156.13936	1.0
160.84225	1.2
176.03613	1.1
177.04378	0.4
184.13475	0.9
185.11812	2.8
197.13821	0.3
198.18634	3.9
204.12811	0.3
226.18146	2.7
297.24298	0.6
308.26089	0.6
309.24384	1.7
311.26242	0.3
321.24503	0.4
325.23846	0.4
327.25397	8.0
339.25394	4.5
355.25153	0.6
357.26443	40.1
358.26810	1.5
366.29944	0.6
368.31311	0.6
412.30695	2.5
414.09103	0.5
424.30682	1.1
442.31738	7.3
443.31732	0.4
468.29691	4.9
486.30710	100.0
487.31104	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	486.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.8
59.01374	2.6
61.98813	1.6
69.10358	4.6
71.01384	0.7
72.04571	0.7
74.02513	0.8
76.48185	0.7
84.04548	6.8
85.02947	1.0
90.12438	0.6
90.96906	0.6
91.38804	0.6
98.22703	1.3
100.04113	0.7
102.05610	17.7
110.97285	0.7
114.09243	1.6
128.03549	34.2
139.11313	1.6
139.35742	0.7
146.04594	2.7
152.07301	0.7
174.00757	0.6
184.13402	1.1
185.11827	2.1
186.33975	0.6
198.18605	4.3
226.18127	2.2
229.78993	0.7
309.24295	2.6
327.25397	7.4
339.25446	4.3
357.26468	39.4
358.26871	2.1
412.30444	1.7
442.31741	7.9
443.32437	0.8
468.29639	5.7
486.30740	100.0
487.31174	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	486.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40445	56.2
70.93587	100.0
80.66937	57.8
90.50925	49.7
101.74554	68.3
154.33429	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0517
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01173	0.8
59.01374	13.5
60.01690	1.4
72.99314	2.2
77.03967	2.4
77.37292	0.8
84.99306	4.8
87.00865	5.0
95.05019	5.6
103.00347	1.7
105.03464	17.5
107.05011	4.7
109.02958	2.5
112.98812	79.6
113.99113	1.1
117.03479	1.1
119.05029	3.1
123.04526	2.6
128.98372	1.0
130.99858	1.4
131.04987	1.8
133.02956	100.0
134.03761	13.3
135.04541	18.9
137.02438	2.2
139.00394	2.0
145.02902	1.1
147.04512	6.8
149.00934	2.4
149.02448	1.9
149.06107	3.9
151.04008	4.2
159.04562	2.0
159.66396	1.1
161.02420	6.3
163.03993	3.6
174.02997	1.1
175.04007	12.4
177.01932	34.6
177.05493	1.2
178.02544	2.3
179.03505	13.9
191.03465	4.7
193.05072	24.2
195.02989	10.4
203.03529	4.1
219.03003	9.3
233.04578	4.3
235.02425	2.2
247.02435	2.0
248.09207	2.2
249.09883	4.0
250.10245	1.5
264.12433	9.8
265.03500	1.8
265.12680	6.2
293.02972	8.2
307.04559	3.9
310.01556	1.0
325.05743	5.7
389.48984	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84227	1.7
56.42142	1.6
59.01381	10.3
61.98827	17.9
70.66180	1.8
71.01383	2.1
72.99307	2.2
80.72086	1.7
82.95422	15.3
84.99300	5.9
87.00874	5.9
95.05016	7.5
99.92583	5.4
100.93368	2.6
105.01934	3.8
105.03458	17.6
112.98818	69.1
115.92071	5.6
116.92873	10.7
117.03493	3.5
119.05018	2.3
128.42763	1.8
133.02962	100.0
134.03708	7.5
135.04517	15.7
136.00256	1.9
145.02951	2.6
147.04503	5.7
159.04492	2.2
161.02415	4.7
162.03261	2.2
163.04008	2.8
174.03177	2.2
175.03961	8.9
177.01952	26.4
179.03502	8.4
191.03474	3.4
193.05046	10.8
195.03000	11.2
210.09616	2.0
219.03008	5.5
221.01266	2.6
221.11816	2.7
235.02521	3.6
238.51747	1.9
293.02805	3.5
311.05447	3.4
325.05569	3.3
388.61465	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	16.0
64.72363	2.0
67.56398	2.0
68.99815	2.0
69.31242	8.8
72.99329	6.5
84.99341	2.0
87.00885	15.3
103.00390	8.3
107.05027	3.2
109.02959	9.2
110.38293	1.9
111.00879	2.6
112.98814	50.6
114.53629	2.0
117.03481	6.9
130.99847	3.4
133.02950	11.4
134.03746	68.2
135.04526	96.3
137.02440	5.5
139.00392	6.2
145.02875	2.2
147.04555	2.6
149.00905	5.2
149.06114	11.7
159.04544	2.4
160.01666	3.8
161.02460	26.0
162.03198	5.6
163.03999	8.8
175.04001	9.2
177.05563	5.1
178.02731	8.0
179.03505	62.6
180.03880	2.5
190.02742	4.6
191.03491	9.3
191.07173	3.2
193.05049	100.0
205.05084	5.7
209.96001	1.9
219.02971	40.8
221.04749	2.3
230.02295	2.3
231.03056	4.6
233.04567	20.7
275.02042	2.5
278.93515	1.9
281.97882	2.2
293.03036	37.0
307.04636	19.9
308.04953	2.2
325.05655	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.9
59.01380	40.8
61.98829	9.3
68.99812	1.0
71.01375	3.2
72.99302	7.1
73.02928	2.1
73.82327	1.1
79.87694	1.0
84.99318	1.4
87.00869	4.4
89.02425	1.5
91.17461	1.0
93.21957	1.1
97.21841	1.1
99.00871	1.2
101.02454	8.4
103.00374	27.1
112.98808	5.0
114.28204	1.0
115.00457	1.0
119.05025	1.3
128.03549	1.4
130.99881	5.4
132.94623	1.8
133.02956	12.6
134.03662	2.0
135.04539	21.2
145.00357	2.0
145.01433	22.5
145.02716	1.7
145.02968	1.5
161.00441	1.3
161.02449	56.0
163.02484	100.0
179.03467	11.0
205.66010	1.1
219.02925	2.4
231.30507	1.1
248.09966	1.0
254.85989	1.0
276.44049	1.1
288.13394	1.2
293.02997	4.4
297.11255	2.3
306.57092	1.0
325.05652	37.3
326.05811	2.3
451.22079	1.3
486.27170	2.3
487.30005	4.6
488.29318	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.0
59.01378	100.0
61.16124	0.8
61.98833	5.0
62.02875	0.8
69.03448	2.7
69.32898	3.1
69.33298	1.9
71.01381	30.3
72.99309	1.0
73.02943	17.7
81.03450	2.8
82.95384	1.8
83.01379	4.6
85.02947	9.2
87.00895	2.2
89.02441	20.7
95.01363	1.2
96.00922	0.9
97.02937	6.4
98.64292	0.9
99.00893	1.3
99.04530	1.0
100.93448	1.0
101.02443	24.1
103.04004	15.8
112.98833	1.1
113.02434	3.0
115.04025	1.1
119.03649	11.6
119.05022	95.7
120.05396	1.2
125.02438	20.7
125.99610	0.8
127.03973	1.3
131.03528	0.9
141.01773	0.9
143.03494	3.1
145.05067	4.1
149.04533	1.2
161.04550	2.2
163.06119	25.0
165.09254	1.7
179.05592	1.0
205.07162	1.3
205.12180	1.4
223.13486	1.3
241.08757	1.4
247.08284	4.9
265.14362	1.4
289.09323	1.3
307.10345	28.7
308.10556	0.9
412.45657	0.9
427.19803	7.5
487.30551	63.4
488.30991	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98821	6.2
70.75915	1.1
71.01379	2.5
73.02939	4.5
83.01373	1.5
86.93336	1.0
89.02463	1.6
100.60292	1.0
101.02448	4.7
113.02466	1.0
116.92841	1.6
146.62621	0.9
161.04523	1.2
205.12379	3.6
231.70558	1.0
367.46365	1.0
429.14410	1.0
432.57889	1.0
487.30746	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	8.5
59.31670	2.6
61.98825	5.1
63.40196	3.0
69.33308	11.9
72.88728	2.3
74.66471	2.5
75.96822	2.6
77.39566	2.4
78.03792	2.6
82.46456	2.3
84.95092	3.6
85.00435	3.2
93.73607	2.8
125.09827	2.8
127.86986	5.1
139.11259	3.4
158.84831	2.8
162.83923	18.6
164.83612	7.5
186.23326	2.6
225.04515	4.8
227.05963	17.6
263.06009	5.8
265.07645	16.1
267.09149	36.6
269.07031	25.9
278.16989	3.1
309.10242	19.1
311.07880	4.0
328.99869	3.2
349.16888	12.6
365.16360	9.9
367.18091	34.2
420.37167	2.9
427.20120	100.0
428.20514	4.8
449.05893	4.8
451.05124	5.1
487.12958	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53651	0.3
59.01379	2.2
61.98830	100.0
68.28730	0.3
68.67094	0.3
69.31660	0.8
69.32042	0.6
72.96742	0.3
98.22650	0.4
197.83531	0.3
293.95035	0.4
311.52399	0.3
488.30725	1.7
489.10513	0.4
489.30502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
59.01380	41.0
60.01715	3.8
61.98830	100.0
71.01382	3.4
73.02940	2.2
80.47953	0.4
85.02967	1.4
87.00884	0.9
89.02458	1.3
95.01387	0.5
99.00912	0.4
101.02457	1.6
102.02792	0.4
102.05605	0.4
109.02969	0.6
112.98806	0.7
113.02425	2.3
114.02778	0.5
125.02452	0.5
128.03526	0.7
135.04529	0.8
138.06873	0.5
147.04526	3.4
151.07652	0.8
152.03452	0.4
152.08412	2.0
153.09207	4.5
154.09567	2.9
159.04599	0.5
161.04544	1.1
164.95018	0.4
179.03404	0.4
180.03925	0.5
193.05119	0.9
205.12312	1.0
206.12685	1.6
223.13441	0.8
224.13759	1.0
269.08282	1.5
313.07214	1.3
367.17633	2.4
368.17917	9.1
369.19189	1.3
386.18936	1.1
427.19754	0.7
428.20309	4.7
429.21179	0.8
488.24338	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04182	6.7
58.37575	6.0
59.01376	100.0
61.98832	10.8
70.82999	6.6
71.01382	51.8
71.42788	10.4
73.02947	9.1
83.01418	7.0
89.02447	80.5
101.02437	41.0
113.02458	21.4
119.03488	30.5
131.03513	9.3
143.03502	9.0
149.04539	19.7
179.05615	20.5
313.16620	48.7
445.20706	79.3
454.94522	7.3
458.66592	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	488.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.6
57.92036	0.9
58.55298	1.0
59.01367	1.0
61.98820	2.5
69.66328	4.0
78.95898	8.9
97.06622	1.4
99.78500	1.0
108.12323	1.0
121.10223	9.3
125.09722	6.5
127.87032	1.1
135.04474	1.5
140.01170	3.3
147.08246	1.5
160.84126	1.9
162.83890	6.8
163.11389	0.9
164.83611	10.3
179.75938	1.1
185.11829	13.7
197.11873	3.0
209.11746	2.4
211.13409	1.5
214.04823	4.8
216.88995	1.0
217.20491	1.0
223.13356	1.5
273.18680	1.1
291.19647	100.0
292.19943	4.6
416.10495	1.9
450.06726	1.2
452.06564	1.5
469.41821	1.0
488.02429	3.2
488.24194	20.7
489.24487	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	488.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
61.98832	1.2
71.11456	0.7
78.95904	6.7
88.14867	0.8
92.29617	0.7
96.62043	0.7
106.73245	0.7
152.99590	1.0
154.02791	1.9
162.83908	1.6
208.45296	0.8
228.06395	3.4
277.21741	100.0
278.22064	4.3
383.27393	0.9
424.79056	0.8
488.27716	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	488.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17644	0.5
59.01382	1.8
61.98826	2.6
63.27512	0.5
69.48820	2.1
75.72366	0.5
78.95905	27.2
80.45518	0.5
127.07708	0.6
136.01717	0.7
152.99556	2.4
154.02742	5.9
159.97223	0.6
196.81248	0.5
210.05354	11.4
228.06314	2.4
238.82547	0.5
251.20184	1.8
252.20500	2.4
263.22409	0.6
277.21719	100.0
278.22076	5.3
488.27795	33.6
488.34985	1.2
489.28067	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	488.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.1
61.98833	15.1
71.01386	27.5
72.04554	2.3
73.02940	2.7
85.02950	1.9
88.04037	17.4
89.02464	1.9
115.00381	16.8
121.10232	4.5
128.03482	2.0
131.41371	1.7
132.91931	1.8
156.13910	3.1
166.12410	2.4
175.05275	1.8
184.13391	5.4
196.13333	3.9
214.14465	7.9
245.61758	1.8
245.64661	2.1
257.01663	2.0
261.17587	2.1
316.84372	2.3
343.24725	2.2
372.27567	5.3
373.25986	19.6
444.29584	6.9
488.28653	100.0
489.28757	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	488.3229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22897	1.1
57.03447	2.7
59.01384	4.4
61.98825	3.4
62.38148	1.0
65.61069	1.3
69.25910	7.1
82.15908	1.3
84.04536	5.3
93.61458	1.3
95.16891	1.1
98.21893	3.0
100.03945	1.3
102.05614	13.1
114.09286	1.3
128.03551	30.8
140.32904	1.1
146.04616	1.5
198.18674	3.5
202.48074	1.1
226.17973	1.7
313.23798	5.4
341.26987	3.2
352.28305	1.8
354.30075	1.4
359.27988	48.9
360.28323	3.5
444.33429	12.6
470.31256	3.2
488.32321	100.0
489.32349	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02553	0.5
59.01380	18.1
60.00975	0.5
61.98827	1.6
62.62457	0.7
71.01385	7.6
71.46638	0.7
73.02936	1.5
85.02377	0.5
85.02929	1.1
87.00883	3.4
89.02448	9.7
96.96011	0.6
97.02946	0.9
101.02441	2.7
103.01517	1.0
109.02956	3.3
112.98799	2.9
113.02451	1.8
118.04693	0.6
119.05045	0.7
121.02962	5.2
125.02464	3.9
129.03479	1.4
131.03773	100.0
132.04141	2.3
133.02954	3.0
134.03737	1.0
135.04550	4.2
135.36400	0.6
143.03491	0.9
147.04529	20.0
148.04030	3.5
149.00919	3.5
149.02022	0.5
149.04553	4.0
159.04538	2.4
161.02473	1.2
177.01993	0.5
179.03516	3.6
191.05678	1.2
193.04997	0.8
195.03120	0.7
219.02882	1.4
269.08243	4.8
293.03247	1.2
293.08771	12.0
295.06226	0.8
313.07205	6.9
339.05164	1.0
425.13348	3.7
442.13440	0.7
472.13550	0.7
489.06735	0.9
489.13620	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00576	1.8
59.01377	63.1
65.29020	1.4
69.03452	4.1
69.09727	9.7
71.01380	69.0
73.02950	5.7
81.03449	4.7
83.01389	2.8
85.02953	6.5
89.02439	74.1
97.02992	6.6
98.21879	3.2
101.02422	11.8
106.04253	3.8
107.05025	20.1
113.02446	9.5
114.43511	1.7
119.03467	2.3
125.02444	28.8
131.03506	18.4
133.02924	1.8
135.04521	74.3
142.03931	1.4
143.03461	2.3
148.62875	1.5
149.04552	30.8
179.03487	1.5
188.94957	1.4
191.05611	11.4
194.83858	1.3
219.03004	1.9
233.06653	5.9
258.75186	1.5
293.08777	100.0
294.09183	1.5
311.99442	1.6
324.37720	1.6
357.18356	1.3
429.14059	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	489.1613
Annotation	6'-O-beta-Apiofuranosylsweroside
Peak:m/z	Relative Intensity
54.72754	0.8
59.01380	67.7
64.47990	0.7
65.24875	0.8
70.59144	1.7
71.01381	43.9
72.99281	1.0
73.02945	11.2
83.01388	1.1
85.02952	5.7
87.00876	5.6
89.02444	78.7
99.00877	10.9
101.02445	34.9
109.54532	0.8
113.02470	5.7
119.03503	3.7
125.02458	3.2
131.03514	29.0
134.03719	1.3
135.77513	0.8
143.03540	1.3
149.04559	71.0
161.02455	1.7
161.04512	0.9
162.03223	73.0
163.03683	1.3
177.05573	100.0
178.05916	3.0
191.05606	15.5
219.58565	0.9
221.06628	2.1
222.43973	0.8
225.28700	0.9
251.07655	2.4
293.08670	1.0
311.09537	2.1
441.52567	0.9
489.16052	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.18
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54801	0.7
53.45380	0.8
59.01386	1.4
65.68430	0.7
69.12724	5.5
70.14471	0.8
75.15446	0.7
89.02428	1.4
96.15634	0.8
101.89268	0.8
107.05056	1.1
109.02972	1.0
133.02945	2.0
134.03748	59.3
135.04547	22.4
147.04523	1.3
149.06087	41.9
160.01625	1.8
161.06003	1.2
173.36501	0.8
175.02682	1.0
175.04015	2.6
176.03503	1.0
178.53941	0.9
190.05122	1.5
204.06645	3.3
244.09958	1.0
246.11278	0.9
261.12506	6.6
262.13135	2.8
265.91382	0.8
277.15601	1.8
287.10406	5.3
288.11197	17.5
289.11877	2.0
297.11313	1.1
303.10007	1.6
303.13486	32.6
304.13907	1.2
437.17169	1.8
438.18353	1.1
447.22241	3.5
451.18689	2.6
453.20337	100.0
454.20691	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	489.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
58.00600	1.1
59.01380	100.0
60.01719	0.5
63.67195	0.4
69.03471	0.9
69.40176	2.2
71.01385	14.4
72.99325	1.0
73.02950	26.2
81.03467	0.6
83.01386	1.2
85.02954	7.2
86.00075	0.4
87.00885	5.3
87.04520	2.9
89.02445	20.1
97.02979	0.7
99.04506	0.6
101.02447	39.9
102.02781	0.6
103.01488	1.1
103.04017	19.1
113.02469	1.8
115.04013	10.7
119.03510	9.5
119.04322	0.8
125.02479	2.6
127.04017	1.7
131.03506	7.9
133.84459	0.4
141.90144	0.5
143.03491	10.5
145.05064	5.9
161.04550	0.7
163.06129	69.8
164.06445	0.8
166.28807	0.5
179.05678	1.1
205.07173	17.4
235.08313	1.4
257.59045	0.4
265.09253	6.4
307.10373	0.7
325.11392	0.7
381.10464	0.5
429.17606	10.6
483.85910	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97369	0.4
59.01380	100.0
61.98831	1.7
62.55769	0.5
69.28030	2.6
71.01376	2.6
73.02942	3.4
85.02940	1.3
87.00887	1.3
89.02444	2.9
93.05377	0.4
101.02446	5.6
103.04028	2.0
112.98843	0.8
113.02448	0.5
115.03986	0.9
118.53393	0.4
119.03527	1.4
131.03601	1.1
133.02954	1.3
135.04553	2.7
143.03482	0.8
145.05066	0.6
163.06134	7.0
179.03546	1.3
185.34282	0.4
195.06731	1.0
196.29243	0.5
205.07257	2.4
219.02968	0.6
223.39609	0.4
258.21036	0.5
265.09164	0.8
270.42337	0.6
283.06171	0.8
293.03214	0.6
311.05557	1.8
358.41830	0.6
429.17346	0.9
431.09799	1.8
445.83530	0.5
488.30771	1.8
489.30380	27.5
490.30624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
58.31998	0.2
59.01379	100.0
60.01701	0.4
66.12215	0.3
69.33633	1.6
71.01387	0.3
71.67508	0.3
73.02945	0.3
85.02898	0.3
86.17020	0.3
89.02457	0.5
107.33185	0.3
107.48163	0.3
120.82342	0.3
128.76865	0.3
329.78033	0.3
429.21655	0.5
467.72568	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98837	6.9
68.26517	0.9
69.42871	2.8
71.01379	3.8
73.02951	1.5
84.94623	1.0
89.02423	2.7
96.96026	1.5
101.02450	2.2
112.98830	1.3
113.02437	1.9
119.05006	3.5
144.35001	1.0
144.38773	0.9
161.04530	2.0
175.86107	1.0
211.44885	1.2
256.12183	1.0
267.15973	2.6
489.30759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48029	0.7
59.01381	100.0
59.99015	0.7
61.98835	7.4
69.24863	3.6
71.01383	7.2
71.89779	0.8
73.02956	0.8
75.53905	0.7
78.91914	2.2
83.30089	0.7
85.02952	1.8
87.00907	0.8
89.02443	7.7
96.00940	0.9
96.96008	2.0
101.02445	4.7
113.02467	3.1
115.44711	0.8
116.92876	1.1
119.03535	2.0
119.05038	1.5
143.03485	0.8
161.04581	1.1
179.05641	0.8
248.39639	0.7
267.16351	0.8
284.03360	1.0
309.11594	1.6
429.21011	1.0
451.16409	1.0
489.30234	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.2
58.00586	1.0
59.01381	31.5
59.19012	0.9
61.98826	4.5
69.24362	4.2
70.96595	0.7
71.01381	13.5
72.99309	0.9
73.02940	1.7
77.97589	0.7
83.01379	1.5
83.79846	0.7
83.80376	0.8
85.02951	4.6
87.00867	0.8
89.02444	8.7
96.10084	0.7
101.02446	9.9
107.08670	1.2
113.02450	4.8
115.27866	0.7
119.03482	3.0
125.09726	2.0
127.11234	1.9
128.95390	0.8
133.02994	3.5
135.04498	2.8
137.09645	0.8
149.04530	0.9
161.02443	9.9
165.09167	1.0
165.53238	0.8
171.10252	4.0
179.03456	1.4
199.09613	0.9
201.11324	22.0
231.16783	0.8
297.31342	0.8
309.20700	2.7
323.07712	1.2
347.88922	0.8
443.13315	5.3
489.27042	100.0
490.14148	1.8
490.27286	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	489.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	4.4
61.98830	0.9
63.23161	0.4
68.04605	0.4
69.03439	0.4
71.01411	0.5
72.99307	0.4
78.27650	0.4
85.02941	0.7
87.00887	4.5
98.22726	0.6
99.20284	0.4
112.98815	1.1
139.11296	0.6
141.12927	0.5
166.90994	0.4
185.11812	2.5
297.24261	1.3
309.24393	1.4
321.23849	0.5
325.23602	0.7
327.25394	13.1
328.25885	0.7
339.25424	1.8
355.24884	1.5
357.26453	100.0
358.26715	4.9
360.28558	0.7
375.16156	0.5
489.26633	3.7
489.32907	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	489.3797
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25760	0.7
59.01382	100.0
61.98831	2.4
69.26746	4.1
69.50246	0.6
88.33118	0.7
88.91943	1.0
91.04022	0.8
166.31978	1.0
179.37947	0.7
324.00269	0.7
355.32352	2.9
414.16104	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99916	1.0
53.78412	1.1
58.99596	1.0
59.01380	5.8
67.83193	1.0
69.31763	4.9
71.01363	3.3
73.98314	9.9
74.99089	2.7
77.00703	1.0
89.02443	3.5
100.02269	4.9
112.02253	3.8
130.03288	1.3
135.04501	2.1
137.00662	1.4
138.03250	2.4
149.04559	1.7
153.00160	1.8
153.05547	2.5
162.03207	1.0
162.05605	2.1
163.99396	2.3
164.04831	1.7
165.00177	4.3
165.04285	1.5
176.03630	1.2
177.04239	1.9
178.01045	1.1
179.01714	2.2
179.07108	2.0
180.02498	2.3
180.06653	3.5
180.99631	21.5
190.05032	3.2
191.05833	1.9
192.06631	1.9
193.07405	1.4
196.01990	37.6
197.02461	0.9
202.05093	3.0
205.07524	2.9
206.08275	3.1
207.08939	2.1
208.09807	1.1
211.04333	100.0
212.04669	4.2
217.07393	2.5
220.09763	5.2
226.03001	2.0
232.09840	1.7
241.05394	43.7
248.49722	1.1
250.10912	3.2
266.08530	2.1
275.87360	1.1
284.09628	18.4
294.09146	1.3
298.07602	1.8
328.08615	17.2
414.14343	1.8
446.14807	4.9
490.13879	49.0
491.13840	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	490.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.7
61.98830	100.0
71.01389	1.4
72.59320	0.7
89.02451	1.6
98.22623	1.2
101.02433	1.1
113.02441	1.0
135.04547	1.4
151.00388	1.7
229.87593	0.7
287.05576	0.7
388.45801	0.7
422.64355	0.7
427.19769	5.4
491.28915	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	490.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74784	0.2
59.01377	1.0
61.98816	0.5
67.19381	0.2
69.73396	0.8
78.95901	8.2
121.02957	2.0
122.03754	2.8
123.04473	0.6
135.04517	0.7
136.05296	2.5
140.01186	2.8
151.76776	0.3
152.19424	0.3
152.99590	0.6
164.08406	1.1
168.04393	0.3
177.69003	0.3
185.92778	0.2
196.03833	1.4
214.04874	3.1
227.01390	0.3
231.17505	1.4
233.15454	0.7
247.17024	0.7
249.18591	19.3
250.18912	0.7
275.16528	16.3
276.16925	0.6
293.17578	100.0
294.17923	3.6
308.86359	0.3
319.57813	0.3
412.44049	0.3
490.22119	18.7
491.22421	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87799	1.2
59.01379	20.0
61.98829	100.0
69.13394	7.0
71.01380	10.9
73.02946	2.2
85.02962	2.7
89.02446	16.9
98.22640	2.3
101.02443	9.3
113.02460	2.8
119.03491	2.9
131.03488	6.3
135.04500	1.5
149.04568	19.8
149.05676	2.3
157.28700	1.3
183.27859	1.3
191.05614	3.1
193.96678	1.4
202.19090	1.2
235.08800	1.6
236.09412	1.3
249.06599	1.8
249.38712	1.5
250.07529	1.5
263.08212	6.7
264.09012	5.8
292.08478	14.3
293.09210	3.4
315.18097	1.9
324.11087	1.9
386.14902	2.1
398.10834	1.8
399.12076	2.5
414.14587	23.6
447.22403	12.5
448.22681	1.6
458.13522	7.3
490.15939	2.1
502.10016	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	490.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85218	3.3
55.01896	3.9
59.01384	35.4
61.98838	16.5
69.38139	11.9
71.01026	4.0
71.01389	52.8
73.02933	18.3
83.01392	9.6
85.02952	23.9
89.02441	20.3
98.22585	6.7
99.00895	11.1
101.02450	34.0
113.02454	26.2
114.57211	3.0
119.03463	4.4
133.18298	3.2
134.03726	4.3
148.04051	3.7
149.04597	3.9
149.06023	3.1
149.63063	3.5
159.02878	4.5
161.04584	41.4
177.67609	2.9
186.49297	3.8
211.13403	3.6
242.67288	3.1
315.18115	100.0
316.18796	3.5
447.22385	96.0
448.22632	7.3
454.20657	7.5
490.27240	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	35.6
60.51053	1.4
61.98830	4.5
68.35635	1.5
69.03446	1.4
69.53217	5.8
71.01385	36.8
73.02958	7.5
83.01396	4.6
85.02959	12.8
89.02451	21.2
97.03012	2.0
98.21916	2.8
99.00883	3.4
101.02446	22.7
111.00900	2.0
113.02467	9.5
119.03503	2.2
125.02480	3.5
131.03503	10.4
143.03517	1.6
149.04584	7.8
159.02863	2.1
161.04572	9.4
184.76460	1.4
191.05659	2.6
225.34904	1.6
282.40646	1.7
293.08862	3.6
315.18149	13.7
447.22375	100.0
448.22690	3.6
490.27271	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	490.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21778	4.5
59.01373	4.9
61.98830	9.1
69.88840	7.8
69.89188	11.8
78.95880	16.4
79.20826	4.0
90.14309	3.7
111.00865	9.1
132.28525	4.3
136.48811	4.3
140.01231	5.9
196.03821	7.2
214.04826	9.9
231.21089	6.7
235.17029	62.1
275.20142	88.4
293.18472	3.9
293.21194	100.0
294.21353	4.5
490.25766	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.5
70.11358	0.6
74.67289	0.3
78.95902	7.8
120.96981	0.4
136.01694	0.3
138.98009	0.9
152.99583	2.4
154.02768	1.4
180.47961	0.2
181.05841	0.2
181.66083	0.2
195.00655	1.0
210.05382	0.8
213.01736	1.3
228.06429	2.6
261.22296	0.5
277.21735	14.2
279.23291	100.0
280.23599	4.6
473.23190	5.7
490.29410	10.6
491.23889	1.5
491.29987	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88826	1.2
58.87759	1.2
59.01383	2.1
63.27888	1.3
69.88798	1.9
69.89140	3.5
78.95903	21.4
78.96326	1.7
152.99640	8.2
154.02748	5.0
181.55893	1.3
195.55742	1.4
210.05379	7.8
228.06387	2.0
277.21747	9.7
279.23306	100.0
280.23660	4.5
473.22983	4.2
490.29459	30.6
491.29877	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	491.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47052	1.0
55.01856	1.0
57.03458	1.7
58.99620	1.2
59.01380	100.0
61.98824	3.7
68.99815	2.8
69.20208	7.0
71.01385	7.7
72.99319	2.5
73.02947	11.2
77.36312	1.3
78.72493	1.1
78.95957	1.1
80.65634	1.0
83.01389	1.9
84.99329	1.3
85.02954	2.3
87.00878	24.0
89.02454	4.1
95.01427	1.7
96.96024	5.5
96.96958	1.2
98.22580	2.8
101.02449	8.7
102.98670	1.6
103.00447	7.5
103.01498	37.7
105.01981	1.7
107.05011	1.4
109.02976	3.1
111.00874	2.0
112.98810	22.3
113.02436	3.1
119.03528	1.2
121.02967	21.7
123.00882	5.2
127.00436	1.2
130.99905	7.4
133.02959	6.6
134.03754	6.1
135.04527	76.7
136.04906	1.7
137.02457	2.8
138.01083	1.2
138.03215	6.1
139.00365	4.3
141.01773	2.0
149.00951	1.5
153.05586	20.9
159.04524	1.3
161.02458	11.1
161.04562	4.2
163.04024	6.5
166.02739	1.5
166.99869	4.3
173.02406	1.2
177.05560	2.5
179.03494	59.5
182.02205	14.7
191.03499	4.2
197.04546	84.8
198.04813	1.9
208.03874	1.4
219.02969	17.6
223.06171	1.4
231.03011	1.9
237.04045	4.0
239.05679	1.7
275.01865	1.5
293.03033	16.2
311.04092	8.3
316.39481	1.2
329.05121	17.1
431.22763	4.6
447.22366	1.9
452.64352	1.2
491.26013	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78392	0.9
59.01379	21.9
61.01794	1.1
61.98826	3.3
69.37793	4.0
71.01391	2.4
72.99314	1.7
78.91888	1.1
84.99326	2.5
85.02985	1.1
87.00874	13.7
88.16143	1.0
89.02430	1.6
101.02441	1.6
103.00359	2.1
107.04985	1.6
109.02982	2.9
112.98808	45.6
130.99838	2.5
133.02963	4.7
134.03720	3.1
135.04526	57.9
135.08177	1.9
137.02425	2.1
139.00398	2.2
149.00900	9.3
151.00311	1.1
151.04005	1.3
153.09212	96.0
154.09558	2.6
159.04594	1.4
161.02461	10.0
163.04054	4.3
163.12274	1.1
164.08569	1.0
177.01965	1.0
179.03482	33.1
180.03819	1.1
187.04100	1.0
191.03542	4.7
197.08186	100.0
198.08519	1.8
205.04941	1.8
219.02965	15.5
231.02997	2.3
248.19220	1.0
275.02094	1.3
287.05713	2.0
293.03064	22.6
294.03381	1.4
305.50461	1.1
321.96567	1.1
326.72052	1.2
329.08755	56.4
330.09235	1.2
407.24411	2.9
491.28683	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32816	1.2
59.01382	100.0
61.98825	1.9
71.01386	19.1
71.08291	1.3
73.02952	46.2
75.00879	1.4
83.01392	9.6
85.02969	2.6
87.37067	1.1
89.02463	8.3
97.02989	1.5
99.00893	1.2
101.02449	32.9
113.02462	12.8
119.03488	4.4
131.03525	3.7
137.09723	4.3
143.03534	3.5
148.61478	1.3
149.04562	5.7
160.60175	1.4
161.04564	12.2
203.05621	1.9
208.54971	1.3
221.06671	4.8
431.07382	1.5
491.30557	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06901	1.2
58.00583	1.3
59.01379	100.0
61.98823	9.6
68.47381	1.3
69.03438	1.5
70.10549	4.0
71.01382	23.1
73.02946	55.3
73.60907	1.3
75.00879	1.9
80.26900	1.4
83.01384	11.3
85.02946	4.4
88.03994	1.6
89.02441	6.2
95.20700	1.3
97.02959	2.2
99.00909	1.5
99.04459	1.3
101.02443	33.1
112.98757	1.8
113.02448	12.6
119.03477	4.6
131.03499	2.8
135.04533	4.8
143.03467	3.1
149.04536	5.2
152.07179	1.4
161.04544	9.9
165.03535	1.4
179.03473	3.1
203.05614	1.9
211.75525	1.3
221.06627	1.8
269.17706	2.7
327.44269	1.4
359.52176	1.4
431.26477	5.5
449.27444	4.2
470.20871	1.5
491.28455	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	491.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97833	2.1
51.05072	1.8
52.92228	1.7
59.01382	82.1
61.98834	2.9
68.99738	2.1
69.03437	7.6
70.66237	3.8
71.01383	77.2
72.99313	3.4
73.02947	5.1
77.74514	2.0
78.25684	2.0
80.05664	1.7
81.03455	4.1
83.01397	5.0
85.02964	9.8
87.00887	3.4
89.02446	85.2
97.02935	8.1
99.00846	2.6
101.02448	17.2
108.01464	2.0
112.98787	2.9
113.02446	10.8
119.03476	2.9
125.02443	30.2
131.03506	21.4
135.04518	15.1
137.05103	2.6
137.06091	47.8
143.03519	4.0
149.04549	36.1
161.04602	2.4
162.83867	2.7
179.03496	6.7
191.05592	11.1
197.04544	6.8
203.03357	2.0
233.06586	3.1
258.07700	2.8
291.75388	2.0
293.08798	100.0
329.05029	2.4
333.19086	2.2
431.15436	4.1
453.38199	2.5
504.56915	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	491.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33851	2.7
57.03440	10.6
59.01379	56.7
59.70070	3.1
61.98838	27.1
64.07968	2.8
69.57827	2.7
71.01382	10.7
71.05003	4.5
73.02962	7.5
83.05062	3.0
85.02908	3.4
87.00849	5.0
89.02451	8.1
96.95988	4.7
99.08146	12.3
101.02420	7.6
106.16570	3.3
109.06543	3.9
111.08217	3.1
112.98813	6.0
113.02451	5.6
116.92856	4.3
121.02958	43.5
129.09221	56.3
135.04497	9.7
139.13695	3.4
153.09245	8.7
155.00565	2.9
179.03508	6.5
197.08258	5.8
199.72556	3.0
223.06241	4.1
243.15999	100.0
257.17654	3.7
267.16144	4.1
285.16956	4.1
308.77136	3.3
329.08499	6.5
392.30377	3.3
431.22821	4.7
456.49365	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	491.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68295	0.4
59.01366	1.3
78.95901	15.8
80.17887	0.5
96.96935	0.6
98.21886	1.3
110.43156	0.5
119.53407	0.5
120.96960	2.8
138.98012	4.9
149.66969	0.5
152.99588	15.4
159.96103	0.6
186.63663	0.4
190.66243	0.5
195.00673	5.4
206.76318	0.5
213.01698	8.3
259.08414	0.5
277.21716	100.0
278.22055	4.1
279.23431	1.4
280.23486	2.8
296.09268	0.5
473.23059	38.1
474.23425	2.1
491.24103	12.5
492.24530	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.5
62.18158	0.6
66.39302	0.6
68.12952	0.5
69.65660	1.4
69.66039	1.5
78.95901	18.9
82.57824	0.6
89.42982	0.6
96.96957	1.4
118.23215	0.6
120.20979	0.6
120.96974	3.4
125.89153	0.6
138.98045	5.3
152.99593	19.0
159.60928	0.8
162.65073	0.7
195.00623	5.7
199.23378	0.8
213.01704	10.2
259.20642	0.9
277.21725	100.0
278.22122	5.5
292.13702	0.6
431.22562	0.9
473.23093	38.5
474.23508	2.9
491.17255	1.3
491.24127	13.0
492.24533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	0.8
59.01379	100.0
60.01727	0.8
61.98827	7.2
69.44321	2.1
71.01379	10.2
73.02942	15.2
83.01374	4.2
83.54575	0.7
85.02949	3.8
87.00880	1.1
87.04514	2.1
89.02451	4.8
95.01401	0.9
98.22654	1.4
99.00863	1.0
101.02446	12.5
111.00854	0.9
112.64415	0.7
113.02434	8.1
119.03486	1.5
131.03453	1.0
135.04500	1.0
143.03519	2.0
149.04533	2.1
151.82576	0.8
153.09233	4.3
161.04549	5.2
179.03534	0.9
195.06633	2.1
203.05716	1.4
207.02994	1.9
209.15417	4.5
221.06757	1.0
222.05345	1.4
223.06056	1.6
227.16548	1.0
251.38853	0.8
261.51215	1.0
269.17542	2.3
269.20590	0.9
286.83194	0.8
287.22269	1.2
371.20801	10.3
389.21939	3.9
431.22018	11.6
431.27551	2.0
449.27777	4.2
491.15390	1.7
491.29074	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2665
Annotation	Mucronine B
Peak:m/z	Relative Intensity
66.03479	1.3
71.02508	3.4
74.62029	0.6
89.11880	0.5
91.05527	1.0
99.02030	0.6
109.31420	0.6
110.03584	1.8
111.02007	1.0
115.08767	10.2
116.05054	1.6
118.06659	2.7
125.07179	2.6
126.05575	2.0
130.02594	0.6
141.06699	5.2
146.06114	7.9
152.08322	0.9
153.06624	1.3
154.07599	0.5
163.08757	1.6
164.09499	0.7
168.07744	0.8
170.09273	2.8
174.05508	0.7
174.99313	0.6
179.11905	4.3
194.12970	0.7
196.14578	0.6
197.08011	0.7
197.12927	0.8
200.10757	1.3
214.15669	3.9
216.07710	0.6
217.13373	1.2
227.11928	2.8
228.10219	2.3
240.07675	1.0
245.12964	2.5
248.10811	0.8
251.15097	0.8
257.07700	0.5
262.15588	3.0
263.20087	0.9
269.16068	1.1
295.22784	5.2
299.17627	0.9
326.18658	5.6
336.39557	0.6
344.19745	1.8
400.21289	0.7
431.17596	1.2
458.40115	0.6
459.17261	2.8
491.26633	100.0
492.26877	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
57.03440	1.1
58.00592	0.4
59.01377	26.5
59.28743	0.3
61.98835	0.7
69.03468	0.6
70.80643	0.3
71.01381	10.4
71.71533	0.3
72.99290	0.7
73.02945	4.0
73.56045	0.3
75.00881	0.4
77.02143	0.3
83.01402	2.2
85.02947	5.4
86.00081	0.7
87.00883	4.1
89.02459	1.9
93.44257	0.3
95.01381	1.1
97.02956	0.8
99.00883	1.5
101.02439	6.3
104.60168	0.3
110.06886	0.3
111.00877	0.7
112.01668	0.6
113.02448	3.2
113.09738	0.5
119.03468	0.4
124.01663	1.1
125.02419	1.6
127.11296	1.2
141.01949	0.3
141.12880	0.3
142.02664	0.4
143.03510	0.8
143.10765	0.9
143.20032	0.3
161.54794	0.3
173.66649	0.3
223.77753	0.3
239.20207	0.5
241.21767	0.8
269.21207	4.8
271.22876	0.5
285.20740	0.7
287.22281	42.5
288.22668	1.1
293.21127	0.4
299.22260	1.1
301.23834	1.1
311.22174	0.5
329.23264	1.0
401.25394	0.4
431.26474	18.7
432.26901	1.0
449.27551	46.0
450.27631	2.0
491.28619	100.0
492.28955	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	491.2863
Annotation	Bu 2867TF
Peak:m/z	Relative Intensity
59.01380	82.5
61.98833	9.6
69.69941	2.0
71.01385	15.3
72.99266	0.8
73.02944	4.2
83.01369	1.3
85.02960	4.0
89.02444	12.8
95.01345	1.6
96.60028	0.7
96.96011	1.0
98.21839	0.8
99.04549	0.7
101.02460	8.9
105.60996	0.6
106.93379	0.7
113.02444	5.6
119.03487	3.9
124.90436	0.7
132.02161	0.8
133.02998	0.9
135.04549	1.0
146.08220	2.5
160.01640	4.0
161.02498	0.8
161.04552	0.8
175.04027	6.4
175.06175	0.6
179.03516	1.1
216.26302	0.7
226.28912	0.7
226.86234	0.7
255.88626	0.7
268.09988	0.7
269.17548	2.0
276.04767	0.7
277.12241	2.0
287.22238	1.2
431.26364	2.4
449.27582	1.6
453.16888	1.8
473.27441	3.5
491.28629	100.0
492.28885	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	491.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14675	1.2
59.01373	8.9
61.98823	1.2
64.52988	1.0
69.22015	1.0
69.85386	1.0
78.95905	18.3
81.03458	1.2
81.98030	1.0
83.05027	11.6
99.08147	2.9
103.01501	7.5
125.06072	9.0
125.87270	1.6
143.07140	54.0
150.06828	3.8
152.99594	27.2
162.06863	100.0
163.07654	15.6
164.08347	2.5
165.09190	1.4
176.08412	6.2
177.09206	55.1
224.38467	1.1
231.13870	2.3
244.14680	4.8
259.16943	9.3
282.30548	1.1
303.15948	7.5
313.23834	37.4
321.17007	4.3
342.45145	1.2
370.19284	1.2
423.34460	1.2
433.23596	8.7
473.32727	9.6
491.13477	1.8
491.19470	3.4
491.33762	37.2
492.12885	1.3
492.34149	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	492.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98830	100.0
76.42580	0.8
94.76527	0.7
99.75632	0.9
108.12586	0.8
123.29394	1.0
170.91570	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95747	0.6
57.03445	1.7
59.01374	1.3
61.98838	2.2
63.43764	0.7
69.79034	1.8
69.79445	1.3
75.52589	0.7
78.95902	9.5
113.09740	2.1
140.01178	3.7
152.99561	1.4
169.93817	0.7
177.12943	0.9
179.14386	1.1
183.61688	0.7
188.67905	0.8
191.68845	0.7
195.13905	16.4
196.03818	1.2
196.14244	0.9
214.04813	5.0
271.46460	0.7
275.16602	0.8
277.21722	13.1
278.22110	1.0
293.17673	2.0
294.21759	0.9
295.22769	100.0
296.23083	3.7
325.19907	3.4
492.27295	27.9
492.34552	1.4
493.21741	1.1
493.28070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80518	1.7
61.98820	5.9
69.62574	7.2
78.95905	16.2
89.06838	1.8
91.38137	1.8
106.21440	2.0
122.32168	1.9
125.54479	1.9
140.01166	3.7
155.67899	1.8
160.84206	7.0
168.64137	1.7
171.10277	38.8
195.13899	4.1
196.03694	2.9
214.04898	6.5
277.21741	40.6
295.22769	100.0
296.23093	4.3
330.36621	1.9
492.03622	2.6
492.27316	51.0
493.27707	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	492.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.9
61.88796	2.0
61.98841	3.5
66.06345	1.7
69.56975	7.1
73.70914	1.7
78.95908	16.4
89.83941	1.6
91.43710	1.8
92.54379	1.5
98.22644	2.0
122.37582	1.7
127.87067	3.1
140.01173	7.5
158.84743	2.0
160.84219	6.0
162.83928	4.0
164.83633	5.9
171.10286	39.1
196.03815	5.3
207.03412	1.8
214.04857	6.3
250.81905	1.7
277.21732	53.4
295.22766	100.0
296.23126	2.9
310.05786	1.8
317.62595	2.2
418.11890	2.5
465.12405	1.8
492.03888	2.5
492.27267	54.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.6
66.40729	0.4
69.84364	1.1
78.95899	7.4
98.21933	0.7
108.43946	0.4
109.38548	0.4
152.99590	3.2
154.02760	1.4
210.05315	1.1
220.85300	0.4
228.06424	2.6
253.21767	1.0
278.75760	0.5
279.23328	6.7
281.24857	100.0
282.25201	4.3
304.82678	0.4
475.24704	1.6
492.30969	12.1
493.25287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52688	2.0
56.02839	1.6
59.01384	3.0
61.60526	1.9
61.98833	100.0
68.38758	1.9
69.10649	5.1
69.11058	8.3
71.66544	1.9
78.79924	2.0
122.22693	2.0
130.14290	2.0
152.99583	2.4
177.46556	1.8
184.87502	2.6
291.68671	2.8
353.53790	1.9
377.90033	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	493.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08104	0.5
51.94754	0.5
53.56873	0.5
57.74482	0.5
59.01362	1.8
61.69317	0.5
61.98819	2.0
69.07172	2.5
69.07571	1.1
71.01389	1.0
84.57475	0.6
85.47980	0.5
93.03446	1.1
105.03422	0.7
107.05026	0.8
108.02145	1.0
109.02990	1.0
118.82237	0.5
118.98116	0.8
121.02947	1.8
123.00861	1.6
124.01629	2.1
125.02439	0.9
133.02963	0.8
135.04504	0.8
136.01631	2.0
137.02428	2.4
138.03197	0.7
139.04004	1.2
145.02921	0.7
148.01668	1.1
149.02455	2.8
151.00258	0.7
151.03969	1.5
161.02440	1.8
162.03191	0.7
163.00371	0.7
164.01154	9.1
165.01926	3.9
166.99841	0.9
168.00577	1.5
177.01877	1.6
178.99820	3.3
179.03528	0.7
183.03047	3.0
189.01718	0.6
190.02708	2.5
191.03514	0.9
192.00641	100.0
193.01405	65.8
194.02016	3.1
205.01407	1.9
206.02205	2.5
207.02979	35.2
208.03407	0.6
210.01730	1.8
221.00882	1.9
222.01570	1.6
225.04005	1.9
232.03743	1.2
234.01686	6.1
235.02458	4.6
249.03972	2.4
294.03412	0.6
309.06076	0.8
374.50925	0.6
403.47110	0.5
418.28806	0.7
433.24280	0.6
478.07199	3.1
493.09879	59.1
494.10098	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	493.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13153	18.9
64.48046	18.1
93.66528	23.5
99.85994	19.0
101.34427	22.9
108.42175	23.6
121.06654	20.1
130.45923	18.3
131.04985	25.1
139.59253	19.2
159.45253	18.9
272.30154	19.9
334.48801	23.5
367.76913	23.6
372.86047	23.2
469.85825	20.5
493.14236	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	493.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	6.4
71.01378	14.6
73.02939	10.8
74.99090	3.5
75.59521	2.8
81.69892	2.9
85.02962	5.5
87.00887	6.6
89.02442	9.2
99.84292	2.9
101.02435	13.0
102.98560	5.1
112.98830	14.6
113.02453	4.8
119.03481	4.4
125.87349	13.2
134.03622	3.8
135.04533	14.0
141.86879	3.8
142.87643	4.9
147.28329	3.0
148.90974	10.1
155.10771	49.5
157.86462	3.2
161.04532	4.7
163.83534	2.9
179.03568	7.8
189.13255	3.0
199.09769	44.9
219.02895	7.5
272.66058	3.1
293.02954	5.3
331.10403	23.2
367.48975	3.5
373.22049	4.0
433.24390	4.5
467.81802	3.2
494.05728	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	6.4
71.01378	14.6
73.02939	10.8
74.99090	3.5
75.59521	2.8
81.69892	2.9
85.02962	5.5
87.00887	6.6
89.02442	9.2
99.84292	2.9
101.02435	13.0
102.98560	5.1
112.98830	14.6
113.02453	4.8
119.03481	4.4
125.87349	13.2
134.03622	3.8
135.04533	14.0
141.86879	3.8
142.87643	4.9
147.28329	3.0
148.90974	10.1
155.10771	49.5
157.86462	3.2
161.04532	4.7
163.83534	2.9
179.03568	7.8
189.13255	3.0
199.09769	44.9
219.02895	7.5
272.66058	3.1
293.02954	5.3
331.10403	23.2
367.48975	3.5
373.22049	4.0
433.24390	4.5
467.81802	3.2
494.05728	15.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37426	1.2
51.92511	1.1
57.97263	1.3
59.01379	100.0
60.38619	1.2
61.98824	3.9
69.59969	5.0
71.01376	9.4
72.37536	1.3
73.02937	3.2
74.99088	9.9
83.01408	1.4
85.02953	4.7
89.02438	3.6
98.22606	1.5
101.02440	6.5
113.02465	4.8
149.19318	1.2
157.70442	1.3
159.03032	2.2
161.04581	2.6
209.15419	1.8
229.25951	1.3
259.93167	1.5
328.18570	1.3
353.19659	5.3
371.20758	14.1
413.21808	19.9
414.21915	1.7
428.88098	1.3
443.36551	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2081
Annotation	Amritoside D
Peak:m/z	Relative Intensity
55.01874	1.6
57.03449	2.7
57.86516	1.0
59.01380	63.8
61.98837	6.5
66.20942	1.1
71.01017	2.4
71.01382	35.6
73.02948	8.0
83.01392	5.6
85.02962	15.0
89.02443	19.0
95.01379	3.1
96.96023	5.8
99.00861	3.1
101.02440	27.3
113.02451	15.4
119.03499	7.4
131.03499	1.1
135.04536	2.0
143.03508	1.5
144.07793	2.0
149.04588	1.4
159.02971	1.5
161.04561	6.9
164.03453	2.0
179.03535	1.7
179.05525	1.4
186.08813	4.0
188.58159	1.2
225.16481	2.0
239.14500	1.3
268.34042	1.3
269.15414	5.6
271.19131	2.8
295.19055	1.6
313.14542	21.7
405.22720	1.5
413.24033	4.8
433.27997	3.3
449.21805	14.0
493.20694	100.0
494.21198	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	493.2444
Annotation	Ephemeroside
Peak:m/z	Relative Intensity
59.01377	30.5
61.98833	1.4
68.09556	0.7
69.16737	1.2
69.17140	2.5
71.01379	13.7
78.19398	0.6
80.80342	0.7
85.02968	3.2
87.00890	1.3
89.02442	21.8
95.01424	1.0
101.02448	9.6
113.02423	5.7
119.03504	8.6
131.03456	1.2
134.01334	0.6
143.03519	1.7
149.04527	0.8
161.04587	1.9
179.05617	7.8
201.12917	0.8
269.19110	4.2
287.20157	6.5
313.18054	15.5
331.19128	100.0
332.19400	4.0
345.20743	1.8
373.20255	6.1
373.24588	0.9
434.50571	0.7
493.24432	52.2
494.25195	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	493.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12406	1.0
69.47198	5.3
78.95493	1.5
78.95913	21.7
83.40320	1.1
106.87488	1.3
110.54036	0.9
112.52857	1.2
119.82063	1.1
120.96979	2.7
132.95317	1.2
138.98039	5.0
139.11278	1.7
152.99582	23.6
153.99886	1.3
195.00629	5.0
201.11270	3.6
213.01698	7.3
222.02013	1.2
279.23291	100.0
280.23553	4.3
281.24683	7.1
282.25238	14.3
309.20709	1.7
369.22119	1.1
399.56775	1.2
433.23776	2.0
433.86969	1.2
475.24619	34.3
476.25076	1.5
493.19516	1.5
493.25681	11.7
493.31458	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2573
Annotation	Pristimerine
Peak:m/z	Relative Intensity
50.49645	0.4
59.01361	0.4
59.75402	0.4
62.96387	0.5
70.27136	0.8
78.95901	20.2
86.35190	0.4
87.53889	0.4
96.96953	1.3
107.92474	0.4
120.96940	2.3
126.03640	0.5
138.98041	4.5
139.11237	0.9
152.99590	23.6
165.84598	0.4
166.48015	0.5
173.93857	0.5
195.00598	5.3
201.11320	2.1
213.01666	7.2
279.23285	100.0
280.23676	3.5
281.24832	0.9
282.25214	2.1
309.20682	1.4
433.23596	1.8
475.24643	29.4
476.25180	1.2
493.19101	2.0
493.25513	11.4
511.24609	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.1
57.03436	0.9
59.01382	19.5
61.98817	0.6
69.03450	0.4
69.19508	1.5
69.19908	0.7
71.01384	12.2
72.99300	0.6
73.02953	2.9
76.26923	0.3
83.01394	2.4
85.02959	5.2
87.00915	0.7
89.02444	6.5
95.01379	1.4
99.00893	1.1
101.02436	8.9
113.02450	4.8
119.03503	1.9
127.11285	2.0
143.03505	0.4
143.10785	0.4
155.10780	1.0
157.12366	1.1
161.04533	1.9
165.92223	0.3
171.10254	2.4
187.13550	0.4
201.11345	0.3
255.12173	0.3
295.22742	1.8
311.22195	0.5
313.23834	11.3
313.27512	0.6
315.18161	4.2
329.23325	2.1
331.24902	29.7
332.25168	0.7
447.22351	5.2
448.22769	0.4
475.28723	0.5
493.30182	100.0
494.30554	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
64.36365	54.3
70.91923	100.0
77.80085	59.8
96.27712	59.1
101.33346	53.6
248.68526	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28734	7.9
58.47613	7.8
59.01392	9.8
61.98819	100.0
63.30486	9.7
117.03454	8.4
149.78592	9.0
152.65857	9.4
152.99545	10.4
174.54515	9.5
195.44832	8.9
283.05994	40.5
311.05612	81.0
316.83002	11.5
341.06525	21.2
431.09824	99.6
468.11603	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	494.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
60.01721	0.2
61.98831	100.0
66.04301	0.2
71.01379	0.2
74.99090	1.4
97.35405	0.2
141.01616	0.3
149.14702	0.2
161.02435	0.3
248.90742	0.2
289.72592	0.2
347.74951	0.2
357.13220	0.3
425.78271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
69.33799	2.9
81.03471	1.5
83.05031	6.4
125.07195	0.9
129.64845	0.8
136.88997	0.9
142.71127	0.6
154.94498	0.6
219.86208	0.7
224.17717	1.2
225.16035	5.1
235.06607	0.8
238.63286	0.6
249.28500	0.8
307.45938	0.7
324.26471	1.0
333.22797	1.2
431.09589	0.8
433.31827	3.7
451.32874	100.0
452.33252	7.2
494.33496	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	495.2005
Annotation	(-)-Trichodimerol
Peak:m/z	Relative Intensity
55.89828	5.1
58.62346	5.8
59.01362	8.1
61.98844	29.4
70.43526	7.9
78.91920	6.2
78.95908	100.0
94.92436	6.5
95.82547	5.1
96.96019	13.0
96.96986	12.2
102.66386	4.9
152.99593	68.8
161.45772	5.8
194.85619	6.3
250.97633	5.3
262.48810	6.5
438.08441	5.5
495.19690	31.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56314	1.2
57.03440	1.1
59.01381	61.3
61.98833	7.7
68.34718	1.1
69.03458	2.3
69.18288	7.9
71.01383	17.2
73.02958	11.5
76.04598	1.1
81.85141	1.2
82.95431	2.1
83.01360	1.9
84.53355	1.1
85.02939	7.0
87.00886	3.2
87.04477	1.3
89.02444	16.1
95.01391	1.3
96.95992	2.2
97.02975	3.3
98.21864	2.6
99.00919	1.4
101.02440	20.2
103.04011	14.0
115.03992	2.5
118.11938	1.4
119.03494	8.9
125.02461	13.3
127.00176	2.3
127.07659	100.0
127.29228	1.3
128.82394	1.3
131.03532	1.7
135.04460	1.3
143.03526	3.9
145.05070	3.6
163.06136	22.4
179.03499	3.4
185.87601	1.4
194.05846	2.7
205.07088	3.5
209.08154	3.2
247.08224	3.3
271.10980	2.7
302.70908	1.3
307.10394	18.3
435.18549	6.7
452.32532	1.6
486.79514	1.5
495.25989	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.26
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
53.19691	0.7
58.10612	0.7
59.01379	27.4
61.98848	1.5
62.50274	0.6
66.95010	0.6
71.01383	15.0
73.02944	1.0
78.95898	4.6
85.02956	2.6
89.02443	13.6
89.02941	1.1
95.01385	0.8
101.02440	5.8
113.02446	6.1
119.03485	5.0
124.37407	0.6
131.03520	1.4
133.03027	0.7
143.03548	1.6
149.04613	0.9
152.99571	8.5
161.04572	1.4
179.05605	3.4
243.21162	6.1
271.20636	1.8
289.21747	39.4
290.22089	2.3
303.23285	1.9
315.19647	12.8
315.23065	1.3
331.22791	1.0
333.20709	100.0
334.21027	3.3
375.21631	4.6
412.23529	0.7
495.26038	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
59.01376	17.5
61.31134	1.9
61.98841	3.3
67.61438	2.1
69.46074	1.9
70.81383	3.1
71.01375	8.7
89.02456	9.8
96.80077	1.8
101.02412	3.4
110.24880	1.8
113.02464	4.1
119.03512	2.4
162.83914	2.0
181.60048	1.9
225.92628	2.2
229.53619	1.9
243.21199	3.8
271.20374	2.0
289.21732	19.9
315.19513	9.1
333.20721	100.0
334.21097	6.0
357.20786	4.6
375.21957	3.2
495.26089	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	495.2602
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
59.01379	31.6
59.48717	0.8
61.98831	1.4
64.59708	0.9
70.97655	1.0
71.01381	16.1
72.32863	0.9
83.04997	0.8
85.02964	2.8
89.01930	1.3
89.02449	17.6
95.01402	1.4
101.02457	6.7
113.02441	8.1
119.03506	7.2
125.87325	1.2
127.66291	0.9
131.03464	0.8
143.03516	1.4
146.78523	0.9
160.11108	0.7
160.84302	1.4
161.04509	1.5
163.09853	0.8
171.67883	0.7
174.55067	0.8
175.06657	0.8
179.05583	4.8
214.96967	0.8
243.21172	9.9
271.20642	3.0
289.21741	42.6
290.22061	2.7
303.23474	1.8
309.25687	0.9
315.19635	14.8
316.19949	1.4
333.20706	100.0
334.21130	6.2
375.21869	5.4
386.66937	0.8
495.25980	17.5
496.26483	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2599
Annotation	Virescenoside M
Peak:m/z	Relative Intensity
55.01877	1.1
57.03436	0.9
59.01382	60.8
61.98824	3.6
66.06951	0.9
69.16559	1.3
69.16963	4.7
71.01382	24.4
72.58893	0.8
72.99305	1.4
73.02944	2.6
83.01378	2.4
85.02943	4.9
89.02446	20.0
95.01373	1.5
96.96021	1.5
101.02454	15.5
113.02448	8.1
119.03514	6.6
120.37717	1.0
136.27324	0.8
179.05600	1.3
208.60571	1.0
275.23373	1.1
448.82169	1.0
493.36496	1.0
495.25983	100.0
496.26309	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	495.26
Annotation	Cussoracoside E
Peak:m/z	Relative Intensity
54.53199	1.6
59.01369	6.0
60.13642	1.4
61.98848	2.7
67.29227	1.4
71.01382	2.5
71.42326	2.5
81.82745	1.4
85.02893	1.7
89.02434	2.5
113.02429	3.2
115.49998	1.6
115.93580	1.7
125.87337	29.5
130.32622	1.4
144.32404	1.6
157.86317	9.3
160.84244	20.2
208.92349	2.9
271.20642	4.3
289.21741	82.6
290.21997	4.4
303.54047	1.7
315.19669	5.0
315.71890	1.8
333.20721	100.0
334.21063	5.4
357.21021	1.7
374.72018	1.8
375.21695	5.8
376.60031	2.1
460.08575	4.9
479.92874	1.6
495.25827	8.3
496.06412	7.1
514.39502	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	495.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19691	0.7
58.10612	0.7
59.01379	27.4
61.98848	1.5
62.50274	0.6
66.95010	0.6
71.01383	15.0
73.02944	1.0
78.95898	4.6
85.02956	2.6
89.02443	13.6
89.02941	1.1
95.01385	0.8
101.02440	5.8
113.02446	6.1
119.03485	5.0
124.37407	0.6
131.03520	1.4
133.03027	0.7
143.03548	1.6
149.04613	0.9
152.99571	8.5
161.04572	1.4
179.05605	3.4
243.21162	6.1
271.20636	1.8
289.21747	39.4
290.22089	2.3
303.23285	1.9
315.19647	12.8
315.23065	1.3
331.22791	1.0
333.20709	100.0
334.21027	3.3
375.21631	4.6
412.23529	0.7
495.26038	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	1.7
62.45643	0.4
62.96433	0.8
70.12289	1.3
76.16530	0.5
78.95904	17.4
87.00903	0.7
96.97017	0.8
110.98503	0.5
112.98675	0.8
120.96993	1.9
127.67012	0.4
134.03735	1.0
134.52570	0.5
135.04538	1.8
138.98012	4.0
149.00920	0.8
152.99590	14.5
153.00760	1.0
161.02499	0.6
169.73662	0.5
171.00673	1.4
179.03496	1.2
195.00648	4.1
201.01683	2.6
213.01727	6.9
245.04250	3.5
267.23264	2.6
281.24857	100.0
282.25214	5.0
293.02853	0.8
333.02405	1.1
333.22079	0.8
368.52716	0.7
477.26208	27.6
478.26450	1.7
495.27197	15.8
496.27502	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11353	0.3
52.44148	0.3
56.64797	0.3
57.03446	1.3
69.56441	0.9
70.68694	0.3
95.05022	0.3
100.12691	0.3
105.03464	2.1
121.02946	0.4
132.02170	5.3
133.02965	13.7
134.03758	4.0
135.04533	3.0
137.02437	0.8
145.38168	0.3
147.04486	1.0
148.05328	2.7
149.06056	0.8
160.01660	33.1
160.84216	0.3
161.02359	1.5
162.03206	0.7
175.03999	41.8
176.04337	1.3
177.01938	2.6
178.02682	1.8
179.03493	2.2
181.00990	0.3
188.14189	0.3
191.03615	0.3
192.04247	0.3
193.05077	1.6
225.87733	0.3
271.20544	0.7
273.18414	0.3
287.20181	0.8
289.21780	4.4
315.19659	1.4
383.90482	0.3
451.14050	0.5
452.14926	0.9
465.22083	0.6
480.25165	11.7
481.25610	1.0
495.17334	4.4
495.27524	100.0
496.16891	0.5
496.27875	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	495.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.8
61.98820	1.1
70.44852	0.9
75.51652	0.6
91.60719	0.5
92.15227	0.4
105.03449	2.0
110.20318	0.5
127.62657	0.5
132.02168	4.5
133.02960	11.9
134.03735	3.5
135.04530	2.7
137.02443	1.0
139.10185	0.5
148.05336	2.4
149.06183	0.6
160.01663	28.5
161.02350	1.5
162.02010	0.5
162.03282	0.7
175.04007	38.4
176.04401	0.8
177.01924	1.9
178.02652	1.0
179.03497	2.1
193.05067	1.4
200.45753	0.5
289.21634	2.9
480.25159	11.9
481.25726	1.1
495.27530	100.0
496.27814	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	496.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
63.02411	0.6
63.98624	0.3
65.00316	1.3
66.87122	0.3
83.01398	1.1
93.03467	0.9
107.01389	2.7
119.05035	5.1
125.02477	0.6
143.05077	0.3
143.10841	0.6
145.02963	0.9
151.00371	12.3
156.76225	0.3
165.01967	1.1
167.07588	0.3
169.01520	0.5
177.01904	0.5
185.06223	0.5
187.04019	0.6
193.01462	0.3
227.07089	0.6
271.06110	19.5
272.06500	0.4
313.05597	0.5
347.26813	0.3
433.11362	11.1
434.11923	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84550	0.7
61.98830	5.3
69.11536	4.7
73.58438	0.8
78.95905	40.3
96.96967	5.8
98.21886	2.0
120.80793	0.8
150.98018	1.9
152.99586	100.0
154.00000	0.8
157.36322	0.9
171.00656	2.6
218.39427	0.8
233.00183	0.8
234.91933	0.9
279.23392	1.0
433.23627	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	496.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.03438	0.8
61.98827	5.8
70.97353	1.1
78.95901	42.6
96.96956	5.1
97.02681	0.8
111.31796	0.8
132.11288	0.8
139.11261	0.9
150.98026	1.7
152.99590	100.0
153.99994	0.9
171.00648	3.6
173.65747	0.8
206.03096	0.9
268.23605	1.5
279.23160	0.7
297.65894	0.8
299.28226	0.8
311.22345	1.3
312.22699	1.1
348.93878	0.8
433.17865	1.7
433.23599	28.8
434.23285	1.2
496.27390	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.143
Annotation	Dukunolide B
Peak:m/z	Relative Intensity
56.74791	8.9
56.81923	9.7
59.01361	15.8
63.31441	10.3
63.52055	8.0
65.49032	8.7
70.76065	14.1
71.01376	13.2
74.87434	9.6
89.02457	9.7
91.16898	9.4
135.04521	10.9
169.34628	11.1
182.31059	9.7
278.87350	10.9
293.08670	40.7
301.92722	9.3
409.97516	11.2
497.14215	100.0
520.33014	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	497.1431
Annotation	Dukunolide B
Peak:m/z	Relative Intensity
57.56215	4.6
59.01374	9.9
70.29946	5.2
70.30265	6.7
71.01377	16.6
89.02457	13.0
96.96906	4.5
102.68467	3.7
104.56657	4.0
108.90250	4.2
111.00867	4.7
121.02937	4.7
125.02451	5.0
135.04593	22.6
149.02457	6.9
229.25171	4.3
293.08777	41.1
429.14114	6.8
490.16721	4.8
497.14371	100.0
498.14392	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	497.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64938	4.7
51.69662	4.5
56.39886	4.9
59.01378	58.7
61.98835	11.2
69.24415	30.5
71.01373	37.1
72.03918	5.2
73.02923	5.5
85.02924	8.3
89.02454	30.1
97.86824	5.2
101.02449	22.5
113.02421	13.4
119.03495	11.6
125.52016	4.7
149.04503	4.9
167.10782	14.2
260.01746	5.7
273.22171	6.2
275.20151	5.1
280.42578	5.7
293.08984	12.0
329.06366	32.9
335.22223	30.7
482.55038	5.0
485.17813	5.9
497.18304	45.2
497.27475	100.0
504.47067	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	497.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84443	2.6
59.01378	61.9
61.98818	10.4
69.12935	5.5
69.13342	13.7
71.01385	29.3
73.02949	10.5
83.01341	2.9
85.02944	10.2
87.00900	3.4
89.02440	19.9
101.02465	21.6
108.43285	2.8
113.02440	5.7
119.03520	3.7
125.02469	5.3
149.04544	9.2
161.04573	5.7
167.10757	6.9
233.06619	4.0
291.18152	10.3
293.08777	22.6
299.18839	3.0
317.21356	13.5
329.06500	17.5
335.18707	5.2
335.22266	38.7
437.23874	24.6
497.18524	7.9
497.27570	100.0
498.27551	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43996	1.3
57.03428	1.7
59.01378	65.4
61.98829	21.5
69.03452	2.3
69.53353	6.3
71.01383	21.8
73.02949	12.7
81.03434	2.3
82.95422	1.9
83.01390	2.4
85.02943	11.3
87.00871	5.6
89.02433	16.2
97.02940	4.8
101.02441	27.2
103.04004	18.3
104.91360	1.2
113.02485	1.3
115.04030	3.2
119.03487	9.0
125.02430	17.3
125.05734	1.3
126.90433	2.5
128.03481	1.7
129.09219	100.0
130.09564	2.2
131.03516	3.1
143.03474	2.9
145.05054	4.4
156.28285	1.7
157.30171	1.5
163.06136	32.2
205.07153	5.4
217.30151	1.4
238.06383	5.8
239.07144	3.5
247.08205	4.9
247.67656	1.4
266.08218	21.9
267.08917	8.2
268.08911	2.6
289.09158	2.0
290.10312	1.7
307.10358	23.6
382.48590	1.4
429.14331	20.0
430.14651	1.9
437.20300	8.9
497.05994	1.8
497.27475	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	497.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62225	3.9
58.05133	3.8
59.01380	97.0
61.98827	42.4
65.47783	3.5
71.01375	60.0
73.02954	10.2
83.01389	3.8
85.02952	7.2
89.02451	86.4
97.02938	4.5
101.02451	24.5
113.02467	8.3
119.05116	3.9
120.17114	3.8
125.02420	16.7
131.03493	18.8
143.10780	100.0
149.04546	48.5
171.58899	3.9
191.05557	9.7
293.08813	70.6
335.22272	9.8
361.89783	4.0
391.22946	4.3
412.89340	4.0
437.20331	4.6
497.27582	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	497.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.8
57.03445	2.1
59.01381	48.1
61.98830	52.3
68.46807	0.9
69.40255	4.3
71.01382	39.6
73.02944	9.6
81.03471	3.1
83.01401	5.7
85.02958	13.8
87.00020	0.9
87.00872	2.8
89.01926	1.8
89.02444	28.2
95.01385	3.0
97.02985	1.2
98.21842	2.0
99.00886	2.2
101.02445	28.0
113.02452	14.7
116.02425	0.9
119.03490	6.0
119.05034	4.1
123.04518	8.1
125.02456	7.2
131.02620	0.8
131.03467	4.5
132.39500	0.8
135.04478	1.0
143.03542	1.5
143.10776	14.8
149.04517	5.6
159.02963	1.5
161.04591	6.3
167.03499	26.5
179.03500	2.6
191.03499	4.1
191.05531	1.6
209.04509	2.0
221.04343	1.1
273.07687	44.7
273.22223	2.9
275.65201	0.8
293.08743	11.8
297.07629	8.8
315.08624	1.4
317.21176	1.1
335.22348	2.1
338.25870	1.0
338.84436	1.0
418.34375	1.0
435.12994	16.2
453.21713	1.2
453.28461	2.5
479.26535	1.4
497.27609	100.0
498.27893	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	497.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.7
57.03449	2.8
59.01380	75.8
61.98835	5.0
69.29890	2.4
69.30276	5.2
71.01382	38.9
72.91608	1.5
73.02946	23.7
73.74096	1.8
75.32005	1.8
83.01393	16.6
85.02947	25.1
87.00871	1.6
89.02443	7.6
95.01373	2.7
99.00887	5.7
101.02447	49.4
112.86087	1.5
113.01253	1.8
113.02449	17.1
119.03506	2.5
121.01479	1.5
143.03537	2.9
159.03006	3.7
161.04561	12.5
190.36192	1.7
291.18124	57.3
292.18820	1.9
335.18472	3.1
335.22089	4.1
432.61890	1.7
437.23904	100.0
438.24225	4.4
497.20355	3.6
497.27313	30.9
498.27859	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	497.2758
Annotation	Ephemeranthoside
Peak:m/z	Relative Intensity
55.01868	1.6
57.03440	1.6
58.83531	0.9
59.01381	39.7
61.98828	2.4
71.01382	31.0
73.02949	8.0
78.95901	3.7
83.01389	3.6
85.02946	13.9
87.00877	1.5
89.02446	14.5
95.01389	2.0
99.00880	2.2
101.02446	23.2
111.36409	0.9
113.02451	12.2
119.03485	6.0
143.03477	1.1
152.99544	4.6
159.03108	1.2
161.04575	5.8
211.22014	1.0
263.78488	1.0
273.22125	2.6
317.21149	1.2
335.22327	1.2
453.28619	3.0
497.27591	100.0
498.27994	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	497.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03449	1.2
59.01378	36.1
61.98824	3.3
70.87975	1.1
71.01379	16.5
73.02958	7.3
79.61536	1.3
82.95426	1.5
83.01378	2.9
85.02949	6.9
88.27924	1.1
89.02450	10.7
95.01397	2.0
96.96030	1.4
99.00875	1.5
99.04395	1.3
101.02437	13.6
113.02451	6.0
119.03505	3.6
131.02481	1.0
161.04550	2.5
195.87424	1.0
273.22375	1.4
291.23312	1.6
317.21201	1.7
335.18576	1.6
335.22348	4.3
344.40790	1.1
497.27591	100.0
498.27826	8.6
515.88922	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2756
Annotation	Cussoracoside A
Peak:m/z	Relative Intensity
52.78205	1.0
58.00589	1.5
59.01381	42.8
61.98820	3.6
69.03473	1.1
69.33324	5.2
71.01388	14.7
73.02932	2.7
83.01378	2.5
85.02948	7.4
89.02449	10.6
89.71073	1.1
95.05023	0.9
97.77253	0.9
101.02435	12.2
111.00851	1.3
113.00879	1.0
113.02466	5.1
119.03505	4.6
154.75671	0.9
161.04535	1.5
189.91652	1.0
197.14728	1.0
255.21104	1.0
261.22223	26.4
273.22256	15.4
289.21774	4.0
291.23395	6.5
317.21246	6.0
333.92313	1.3
335.22278	88.5
336.22610	4.7
340.81308	1.2
497.27533	100.0
498.27985	6.5
498.48264	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03434	0.6
59.01380	21.5
61.98826	0.8
69.08867	0.9
69.09289	1.0
70.28689	0.3
71.01379	13.9
72.99305	0.6
73.02952	2.9
74.28010	0.3
77.61472	0.5
83.01396	2.0
85.02944	5.7
87.00890	0.9
89.02442	8.2
89.50040	0.4
95.01387	0.9
96.95984	0.3
99.00885	0.9
101.02448	11.2
102.91692	0.3
113.02457	5.5
116.92880	0.5
119.03519	3.6
125.02412	0.3
148.81874	0.3
159.03008	0.4
161.04564	1.6
167.10617	0.4
249.14958	1.1
257.11325	0.3
291.23462	0.3
293.08710	0.6
317.21210	5.7
329.06290	0.4
335.22253	17.1
336.22589	0.6
382.35764	0.3
453.28345	0.6
479.26471	0.7
497.27560	100.0
498.27866	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	497.2756
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
55.01883	2.6
57.03441	1.8
59.01380	41.6
70.53765	0.8
70.54099	0.7
71.01383	33.3
72.99311	1.1
73.02940	10.2
79.62903	0.5
80.02901	0.6
83.01387	4.3
85.02950	13.9
87.00874	1.8
89.02452	15.5
95.01390	2.5
99.00883	2.4
101.02444	28.7
113.02451	13.9
119.03510	6.7
125.02512	0.7
131.03456	1.1
143.03490	1.3
159.02951	1.7
161.04539	8.3
169.41000	0.5
273.22281	4.5
317.21118	0.9
335.22159	1.0
453.28754	3.8
479.26544	0.6
497.27585	100.0
498.28064	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	497.2756
Annotation	Virescenoside N
Peak:m/z	Relative Intensity
52.74871	0.4
55.01859	1.8
55.48045	0.4
57.03438	0.7
59.01378	33.1
61.93736	0.4
61.98818	0.5
69.03464	0.5
69.14936	1.1
69.15343	1.5
71.01382	23.2
72.99281	0.5
73.02943	6.5
83.01370	3.2
85.02948	9.0
87.00869	1.4
89.02447	12.1
95.01381	2.5
99.00883	1.7
101.01782	0.9
101.02444	17.8
103.01577	0.4
111.00938	0.6
113.02442	7.8
119.03487	4.4
131.03493	0.7
143.03523	0.7
152.99530	0.4
157.48302	0.4
159.03008	0.7
161.04552	1.8
167.10771	0.5
261.22278	1.8
273.22168	1.2
275.20160	2.7
304.10059	0.5
317.21234	2.7
335.22256	10.8
336.22546	0.6
453.28555	0.9
479.25897	0.8
497.27557	100.0
498.27893	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	497.2908
Annotation	Sodwanone G
Peak:m/z	Relative Intensity
59.01365	0.7
69.12961	3.1
69.13370	1.2
72.83948	0.6
89.07192	0.6
97.46408	0.7
105.03462	1.7
132.02213	4.0
133.02968	15.6
134.03737	2.4
137.02415	0.8
148.05252	1.2
149.06017	1.2
160.01668	23.3
175.04010	28.8
177.01877	3.7
253.38121	0.7
289.21622	1.6
317.21152	1.3
446.04208	0.7
467.24701	1.6
482.26746	16.3
482.33655	1.0
483.26889	1.5
497.29077	100.0
498.29578	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	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.4
57.03451	0.1
57.38677	0.1
59.01382	2.2
60.01716	0.1
61.98830	100.0
64.21415	0.1
70.67284	0.2
71.01379	2.1
72.01727	0.3
73.02950	1.0
74.07023	0.1
77.57201	0.1
81.03453	0.6
83.01382	0.9
85.02943	1.2
89.02441	0.2
92.86694	0.1
93.03475	0.4
95.01402	0.3
99.00874	0.2
100.01302	0.1
101.02446	1.8
102.02789	0.2
113.02477	0.8
119.05045	0.5
123.04528	1.7
125.02425	1.0
135.04510	0.1
149.02394	0.3
161.04553	0.2
167.03500	5.3
179.03496	0.5
273.07693	8.1
274.07990	0.4
275.52539	0.1
324.79532	0.1
368.13876	0.1
383.40085	0.1
405.99481	0.1
435.12939	1.9
468.00571	0.1
473.07141	0.1
497.23874	3.2
498.24228	8.1
499.24594	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60487	0.6
59.01377	6.5
61.98830	100.0
65.42815	0.6
70.66821	1.1
70.67165	0.7
71.01379	6.8
73.02950	0.9
75.00964	0.6
81.03464	4.3
83.01376	3.4
85.02956	2.3
89.02434	3.5
93.03468	3.5
101.02435	3.6
110.92216	0.7
113.02461	2.0
119.03545	1.4
119.05020	7.3
123.04527	18.1
125.02423	6.0
135.04541	1.6
137.02502	0.8
143.10796	0.7
144.11134	0.7
149.04517	0.7
151.00378	1.8
161.04608	0.9
163.03979	1.1
163.61430	0.6
167.03491	56.3
168.03822	1.6
179.03514	3.6
181.05084	1.2
189.05482	0.8
191.03497	6.9
203.03598	0.7
209.04550	3.8
221.04497	2.0
273.07681	94.4
274.08133	3.8
297.07687	16.9
298.07925	0.9
315.08759	3.0
327.08609	1.6
402.43716	0.7
430.73526	0.7
435.12924	31.1
436.13132	1.5
482.38058	0.9
497.27652	7.5
498.27811	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	498.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	8.5
59.01380	2.8
61.98833	2.2
69.32632	1.7
69.33034	3.7
74.02472	15.7
74.52207	0.9
82.02983	2.0
86.02477	6.9
86.06097	1.2
86.99095	1.1
87.05631	5.3
90.00185	1.3
97.04077	1.5
99.05639	15.5
101.07209	2.1
102.05619	2.2
109.04076	1.5
111.05642	1.9
112.04015	0.9
112.98767	1.3
113.03525	1.0
123.05632	1.8
124.04027	1.6
125.02567	0.9
125.03539	2.1
127.05136	2.4
128.03540	39.4
135.04643	1.2
135.05652	3.5
137.07193	1.1
141.06685	3.3
142.50916	0.9
143.04620	52.3
144.74342	1.0
145.06171	2.2
146.04584	5.2
153.06694	4.9
160.00735	15.3
166.09874	2.5
167.04625	3.2
167.08229	2.0
177.03371	5.0
179.04630	10.9
181.06212	1.4
184.10832	1.1
185.05626	1.9
197.05705	2.7
198.08774	1.3
210.08836	10.9
231.04155	1.0
242.07771	1.3
254.07848	19.5
272.08878	28.6
288.06577	11.0
306.07635	100.0
307.07922	2.6
437.31448	1.3
498.15332	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	498.1617
Annotation	5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
Peak:m/z	Relative Intensity
57.03448	0.5
58.00601	0.6
59.01378	57.9
66.27989	0.4
67.17934	0.4
69.03458	0.4
70.43666	0.6
71.01382	37.6
72.99310	1.4
73.02955	1.3
75.00875	0.3
83.01408	1.7
85.02951	5.5
87.00870	3.1
87.20828	0.3
89.02443	55.3
90.02765	0.6
95.01389	1.9
96.96048	0.3
97.02973	0.4
99.00903	0.6
101.02445	20.8
112.98867	0.4
113.02451	15.4
119.03499	16.9
120.01277	0.4
125.02465	0.7
130.06622	6.0
131.03511	2.4
143.03477	2.9
146.06116	1.3
149.01022	0.4
149.04544	1.9
154.55251	0.3
156.04561	1.0
161.04547	4.5
174.05580	6.2
179.05620	17.1
216.06734	0.4
246.07585	0.4
323.09793	2.0
341.10864	100.0
342.11188	2.3
498.16605	2.6
502.18887	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	12.2
61.98829	24.5
63.43051	1.6
65.00317	4.6
65.31831	1.6
68.99547	2.3
69.19104	11.5
71.01372	4.1
83.01379	3.0
89.02416	2.4
93.03461	2.1
98.21857	3.8
101.02451	3.6
107.01388	11.1
112.98791	3.2
119.03471	1.6
121.02934	8.7
130.06224	3.0
135.04456	2.7
137.61208	1.9
151.00374	56.4
163.04024	1.9
172.07201	5.1
178.99844	28.4
179.03479	2.6
255.02934	6.2
271.02386	3.2
273.03934	3.0
283.02399	4.0
284.03162	1.9
300.02646	7.7
301.03546	100.0
301.06915	4.9
302.03946	3.3
431.19626	4.0
445.07718	4.9
446.08783	2.9
461.10971	9.4
463.08817	90.5
464.09119	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	499.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19545	1.4
59.01375	6.2
61.98828	5.0
71.01385	4.7
71.15530	1.8
73.02964	1.8
75.00899	1.6
80.27437	1.6
83.01405	2.2
85.02991	2.4
95.01401	1.9
101.02441	4.4
107.01382	2.9
108.02178	10.6
111.00900	3.1
112.98784	1.9
113.02439	1.8
123.00874	6.9
123.04510	1.8
124.01668	6.6
125.02457	11.9
135.04471	2.0
136.01688	1.5
137.02449	1.8
151.00371	3.4
151.03987	2.8
153.02084	1.9
167.03525	1.8
175.03929	2.0
177.02034	2.4
179.03613	1.9
195.02979	100.0
206.92638	1.8
244.87726	1.4
255.02945	2.9
271.02536	5.6
285.03995	6.0
290.82529	1.7
293.16144	2.6
300.02783	15.3
301.03433	6.7
303.05096	3.7
439.21765	4.6
463.08853	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	499.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98138	0.3
57.69526	0.3
59.01378	2.9
59.93870	0.3
61.11337	0.3
61.98826	0.6
71.01372	0.6
75.40968	0.3
84.93869	1.3
89.02460	0.7
96.96016	2.1
98.95578	1.2
98.96288	0.3
99.00859	0.6
99.92584	13.8
100.93367	9.9
101.02431	0.8
107.49870	0.3
113.02438	0.5
115.92080	15.8
116.92860	100.0
117.92879	2.3
117.93647	0.5
128.92854	0.5
135.04614	0.3
140.92894	0.5
141.93633	1.1
142.94440	1.7
156.92326	0.4
158.93930	0.7
161.02380	0.4
169.93074	0.4
170.93991	0.4
173.92673	0.5
176.48730	0.3
183.94728	0.4
184.91859	1.2
184.95502	0.6
186.93384	0.5
193.80005	0.3
193.81740	0.3
196.95506	0.7
212.95030	0.6
222.62540	0.3
242.96008	2.1
259.96408	0.5
280.87527	0.3
337.23849	2.0
345.96466	0.4
377.07071	0.8
395.07993	8.0
395.13159	0.4
396.08194	0.5
413.09125	3.6
425.08966	0.7
434.70047	0.3
437.09122	2.2
455.10217	3.5
456.10678	0.3
463.07034	1.2
481.07938	1.3
497.53787	0.3
498.27963	0.8
499.09143	9.0
499.29257	1.5
500.09473	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	9.0
61.98825	1.2
63.95435	0.6
69.10309	0.7
71.01373	3.8
72.99303	0.7
85.02954	1.9
89.02458	2.6
96.96002	2.3
98.95605	1.6
99.92591	11.6
100.93370	8.0
101.02433	2.1
113.02453	1.4
115.92074	15.6
116.92862	100.0
117.92891	1.4
119.03522	1.1
126.13017	0.7
135.04631	1.0
140.92897	0.8
141.93620	1.1
142.53920	0.8
142.94377	2.2
143.20370	0.6
156.10732	0.7
161.04503	0.8
179.97084	0.7
184.91826	1.4
272.75644	0.8
375.23471	0.8
395.08060	3.3
413.09079	2.2
437.09274	1.5
455.10248	4.1
463.06985	1.6
498.28000	5.7
499.09082	11.3
499.20599	0.9
499.28616	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	499.1073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75134	1.0
59.01380	90.5
71.01384	21.6
72.99350	1.4
78.95894	2.4
79.79314	1.2
85.02969	3.3
87.00910	1.3
87.60419	1.0
89.02444	31.0
89.46043	0.9
92.92786	1.8
94.92498	1.7
95.01405	1.3
96.96952	1.9
101.02438	10.7
111.00890	4.4
113.02461	9.1
118.96494	1.0
119.03498	10.2
128.07103	1.1
131.03571	1.7
131.04611	1.4
143.03470	3.0
151.00154	1.3
156.92540	2.9
156.99092	13.2
161.04579	3.6
166.97450	2.0
179.05624	10.0
208.40007	1.0
267.91794	1.2
341.10876	100.0
342.11084	2.6
355.48334	1.1
401.06448	2.5
403.50897	1.2
423.17377	1.1
454.85794	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04202	2.5
59.01379	100.0
59.79520	2.4
61.98833	67.1
69.03458	2.7
69.31387	11.9
71.01382	22.0
73.02957	6.0
80.91678	19.3
81.03446	2.9
81.56945	2.5
82.95430	3.0
83.01384	4.3
83.55526	2.7
85.02958	8.6
89.02436	12.1
101.02451	15.0
103.74471	2.7
112.40942	2.6
112.98793	3.3
113.02442	10.2
119.03500	6.4
129.83685	2.6
133.02882	3.6
135.04512	4.3
141.01711	51.2
161.04532	5.0
167.03522	6.3
168.03777	3.7
179.05646	3.3
195.93303	3.3
243.47066	3.0
273.07669	5.2
274.08121	13.7
298.08130	3.2
331.17484	3.5
353.14630	9.8
413.17105	11.4
436.13763	5.0
463.08279	4.0
468.24753	2.9
499.29034	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46728	8.7
51.90149	7.1
55.06225	7.5
59.01378	100.0
61.98822	13.4
71.01369	44.7
73.02949	15.5
77.93023	7.0
82.95418	10.0
85.02938	19.6
89.02448	20.9
101.02446	26.5
103.02903	7.8
110.06897	7.3
161.77065	7.0
213.56418	10.0
235.17120	18.3
413.21750	13.2
455.22882	96.2
498.27811	30.3
499.28384	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	499.2914
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
55.01863	1.4
57.03439	2.1
59.01380	38.7
59.43844	0.8
61.98812	1.0
62.05062	0.8
63.13309	0.8
69.54126	3.4
69.54458	0.8
71.01010	1.6
71.01385	22.8
71.01776	1.2
73.02948	8.3
83.01384	3.4
85.02950	13.2
87.00871	2.8
88.15593	0.8
89.02454	7.2
90.78601	0.8
95.01408	2.3
97.02980	1.0
99.00884	2.7
99.92583	1.7
100.93407	1.0
101.02450	16.0
105.37458	0.8
112.98820	1.6
113.02449	9.6
115.92117	1.2
116.92868	12.7
119.03492	2.9
127.52549	0.8
142.05643	0.9
159.03008	1.2
161.02473	1.3
161.04564	4.0
187.07790	0.9
217.40425	1.0
247.20656	1.7
279.97318	0.9
293.25031	1.6
337.23822	1.3
346.20407	0.8
355.24860	0.9
455.30399	2.2
485.54889	1.1
499.29153	100.0
500.29327	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	499.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54669	26.7
71.18381	7.3
79.91003	6.4
97.06611	8.8
98.22558	15.2
125.09733	100.0
187.09729	42.2
243.12421	12.4
255.23271	54.5
261.13428	18.2
315.79996	7.4
499.36728	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	500.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15403	0.3
57.03441	0.2
59.01376	4.9
60.78862	0.2
61.98829	100.0
63.99236	0.3
69.70645	0.5
69.70970	0.5
70.30382	0.2
71.01388	1.1
73.02947	0.4
89.02456	0.7
101.02466	0.5
102.05606	1.8
112.98826	0.3
113.02354	0.3
113.58090	0.3
127.05198	0.3
128.03546	2.6
146.04617	0.7
149.04626	0.3
154.88712	0.3
185.11856	0.4
259.43152	0.2
295.09549	0.3
371.24435	0.5
422.16064	0.4
499.30618	0.8
500.28888	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	500.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57961	0.8
55.90139	0.8
59.01368	3.8
61.98832	100.0
70.91388	1.0
71.01383	1.2
73.92919	0.8
79.39101	0.8
90.98762	0.9
99.17022	1.0
100.59638	0.9
102.05661	0.9
115.37614	0.9
119.05044	9.2
128.03497	1.1
145.02953	2.4
164.77968	0.9
202.78745	0.9
274.85013	0.9
317.15182	5.1
437.20831	14.1
500.28577	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	500.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32021	1.1
61.98829	100.0
69.69928	2.7
69.70283	2.9
70.81001	1.1
89.48615	1.1
120.10136	1.4
150.57643	1.2
204.99274	1.6
259.60922	1.3
275.20178	7.6
275.36172	1.2
314.16226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.7
59.01375	5.7
61.98827	6.5
69.32600	1.8
71.01368	0.7
73.02929	1.1
74.96718	0.6
84.04537	3.2
85.02950	0.9
89.02415	1.1
95.35691	0.6
97.06584	1.8
101.02405	0.9
102.05609	17.3
108.62803	0.5
112.98773	1.2
114.09238	1.2
116.79356	0.6
123.08118	1.1
128.03542	35.3
133.46048	0.6
137.09688	0.7
139.11296	2.6
140.58113	0.7
146.04602	3.1
184.13435	0.8
185.11813	5.9
198.18567	3.0
214.12064	1.1
226.18137	2.3
243.15981	1.6
267.82028	0.6
270.16934	0.8
273.60953	0.7
338.24417	0.6
341.23303	4.8
353.23248	1.4
371.24368	38.7
372.24628	1.2
386.08865	0.7
426.28577	1.4
456.29422	5.3
482.27542	5.8
500.28635	100.0
501.28860	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	500.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.6
59.01379	49.1
61.98840	3.1
63.58865	0.5
69.34917	2.5
71.01375	0.9
71.05029	1.2
72.04526	0.6
73.02934	0.5
77.48357	0.5
84.04533	3.4
85.02960	0.6
85.06561	1.3
89.02464	0.5
93.72324	0.4
97.06575	1.1
98.94173	0.5
101.02463	0.6
102.05609	12.5
109.27905	0.5
111.08152	1.0
114.09236	1.0
127.87011	1.0
128.03540	36.7
134.23392	0.5
139.07582	0.8
146.04634	3.2
153.12837	3.4
156.34613	0.5
160.84201	1.2
162.83891	1.5
174.72658	0.5
197.15407	0.8
200.31009	0.5
251.19563	0.5
268.22748	1.5
280.22906	0.5
293.21234	1.5
309.24371	11.3
311.22278	31.9
312.22714	1.2
334.27560	0.7
371.24377	11.3
372.51105	0.6
394.29581	2.7
396.27509	10.2
397.27936	0.6
422.25330	0.9
438.28552	1.9
440.26517	4.5
482.27597	1.9
500.28671	100.0
501.28967	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	500.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27716	0.8
57.03432	1.8
59.01380	12.3
61.98830	14.9
70.67336	1.7
71.01379	3.2
73.02940	1.1
74.02462	0.9
84.04539	3.3
85.02969	1.7
89.02441	1.8
96.92380	0.9
101.02458	1.9
102.05611	18.0
105.12554	0.8
111.00906	1.0
112.98821	4.9
114.09247	1.2
116.77421	0.8
125.09706	3.6
127.33748	0.7
128.03543	35.7
137.09732	0.9
139.11282	0.9
146.04597	5.0
155.10712	1.0
171.10242	3.1
184.16986	1.5
195.16809	0.8
212.16576	1.8
238.97917	0.9
287.94489	0.8
341.23370	3.1
353.23300	2.7
367.55078	0.8
371.24368	36.3
372.24704	1.6
456.29510	5.2
482.27631	4.3
500.28656	100.0
501.29425	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	500.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06445	87.8
57.15755	78.6
74.46004	81.4
74.52116	87.0
82.78436	80.6
88.69743	76.9
101.33941	95.6
115.20941	100.0
183.50183	85.6
386.25790	95.3
420.22406	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	87.6
60.01695	0.8
69.17240	3.0
72.81310	0.5
72.99302	0.5
73.02927	0.8
98.12531	0.6
132.98198	1.3
134.97055	2.0
137.02748	0.5
157.03540	3.1
159.01480	1.9
174.99237	23.0
176.98125	1.7
184.01006	2.2
185.01109	0.7
192.96156	1.4
201.02541	33.6
202.02794	1.8
215.04106	1.0
216.04355	0.5
217.00288	100.0
218.00693	1.2
234.97350	0.7
250.95122	1.3
253.51035	0.6
272.93793	0.6
276.98157	2.6
288.97208	0.6
292.96127	3.4
334.97208	1.6
343.03748	4.2
359.01453	73.1
360.01785	3.3
360.05844	0.8
376.98541	0.6
500.98843	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.104
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80605	1.2
55.01865	1.4
58.23985	1.2
59.01379	64.2
61.98822	2.7
68.99789	1.7
69.03441	3.5
69.17529	6.7
71.01381	28.3
71.24715	1.1
72.99313	16.4
73.02950	11.9
75.93960	1.1
81.03455	1.1
82.95392	1.6
83.01395	2.5
84.99309	2.5
85.02950	11.8
87.00871	12.0
89.02449	24.6
96.96008	2.1
97.02951	5.1
98.95597	1.8
99.00880	1.3
101.02445	24.7
103.04026	12.6
111.00861	2.9
112.98063	1.5
112.98815	21.1
113.02458	5.9
114.12780	1.2
117.03456	3.8
119.03503	12.8
125.02446	16.8
127.00287	1.1
127.04030	1.5
130.08752	11.2
130.99834	2.8
131.04996	2.3
131.09068	2.1
132.02156	2.4
133.03008	1.4
133.06551	2.6
134.03743	52.0
135.04514	3.2
137.02431	2.2
139.00352	1.4
143.03510	2.5
144.54633	1.2
145.05064	1.8
147.04552	1.4
148.05283	1.3
148.24109	1.1
149.00922	2.5
149.06085	16.9
150.03122	1.5
151.03992	3.0
158.03731	1.5
159.04498	1.9
160.01657	18.3
161.02466	8.3
161.04529	2.7
162.03212	16.5
163.04062	3.0
163.06110	16.6
173.02444	1.6
173.05980	1.7
175.04013	24.4
176.04724	3.3
177.05586	7.7
178.02733	7.4
186.03189	1.9
187.60106	1.2
190.02687	11.0
191.07182	6.7
193.05055	25.2
201.05557	1.7
202.02716	6.8
204.04198	2.9
205.05096	14.7
218.02258	4.2
219.06587	2.9
230.02136	6.8
232.58792	1.2
233.04550	78.0
234.04921	1.6
235.06065	3.4
245.04478	5.3
247.08243	4.7
248.03291	1.3
250.01180	1.8
263.05536	3.5
289.03473	7.6
307.04605	100.0
307.09860	12.1
308.04874	3.0
441.17606	1.9
485.00311	1.2
500.25076	3.5
501.12830	3.5
501.25284	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	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47733	1.8
59.01382	65.2
61.98823	7.3
68.99801	3.9
69.14860	8.8
69.15267	3.3
69.18981	1.5
71.01392	9.9
71.92409	1.6
72.99308	7.2
73.02953	3.2
82.95417	3.9
84.99313	6.0
85.02948	3.6
86.39754	1.6
87.00871	13.0
89.02447	7.7
93.03501	1.8
95.01384	2.0
98.21784	2.6
99.00882	2.6
101.02451	6.6
102.05598	6.9
111.00934	2.1
112.98816	100.0
113.02448	5.7
117.03463	3.8
117.27769	1.7
119.05032	77.0
121.02985	2.2
127.00407	1.6
128.03558	17.1
129.03407	1.5
130.99828	2.3
133.02975	2.0
145.02928	20.5
147.04494	12.6
149.00897	2.8
149.04556	3.3
159.16481	1.6
161.04631	2.4
161.06053	4.3
163.04010	55.9
171.04430	2.0
175.04039	11.2
179.10776	6.2
189.05470	2.0
191.05688	1.8
203.03497	43.5
215.03476	5.3
223.09738	3.8
229.06810	1.7
233.04655	2.6
259.02463	3.2
276.49509	1.7
277.03528	57.6
295.04575	2.7
304.96005	1.8
337.09390	2.3
355.10361	3.8
373.25946	2.7
379.20605	2.2
391.27396	1.9
397.22324	2.3
415.23355	2.5
500.29086	5.1
501.30191	10.1
502.30530	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	501.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00854	2.0
59.01380	100.0
61.98831	11.6
68.99792	1.9
69.58581	6.1
71.01373	14.5
72.99317	7.3
73.02954	5.4
82.28365	1.7
83.01378	2.2
84.99309	4.0
85.02952	5.9
87.00879	9.6
89.02435	9.6
99.43459	1.8
101.02475	10.4
102.05624	14.4
107.97511	1.9
110.74706	2.2
112.98811	72.3
113.02454	6.8
117.03463	3.4
119.03548	3.0
119.05032	42.9
127.00377	2.0
128.03557	22.2
130.99960	1.9
143.03548	2.1
145.02968	15.7
146.04640	5.2
147.04515	9.5
149.00967	4.8
161.04578	6.7
161.05998	3.7
163.03993	32.1
175.03981	9.0
179.10756	9.9
203.03514	31.6
215.03510	4.5
223.09760	5.8
233.04655	3.0
238.16093	2.2
242.75314	2.3
259.02274	2.7
277.03568	33.5
355.10403	2.9
371.24344	5.1
441.24634	2.2
500.28775	16.6
501.30710	21.6
502.30106	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	501.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48784	7.1
58.02976	13.4
60.03319	7.7
69.10581	12.6
69.10984	34.7
91.05566	9.6
106.80786	7.8
133.44476	9.6
147.04556	19.2
164.07172	71.4
196.37016	8.3
206.08218	100.0
275.88696	7.3
501.26093	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	501.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01701	2.7
60.32236	2.8
60.77999	2.1
61.98835	17.2
65.30537	2.3
66.00276	2.8
69.03475	4.4
70.32661	5.4
71.01384	48.3
73.02953	25.1
79.67356	2.2
81.03474	3.9
83.01391	5.5
85.02958	16.3
87.00875	3.7
89.02452	34.7
97.02967	8.0
99.00918	3.9
101.02444	37.7
103.04007	20.7
113.02473	5.2
119.03497	12.2
120.28502	2.2
125.02455	28.9
125.75476	2.5
127.04025	3.2
131.03572	2.7
133.06583	26.7
143.03497	3.1
145.05112	5.4
149.04597	3.8
157.10002	2.4
163.06129	39.4
196.49159	2.2
201.17250	2.3
205.07161	3.5
247.08214	8.4
277.39349	2.9
279.15936	2.9
307.10345	35.2
501.23380	5.9
501.30600	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	501.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.2
57.03450	1.5
58.00601	1.3
59.01379	100.0
61.98830	2.6
62.43993	0.6
69.03458	3.9
69.21430	1.7
69.21839	2.5
71.01382	47.7
72.99311	3.3
73.02948	18.7
78.72643	0.7
81.03460	2.3
83.01396	4.4
85.02948	17.9
87.00871	3.5
87.04513	0.9
89.02447	37.3
90.12703	0.6
95.01406	2.7
97.02955	4.5
99.00880	1.8
99.04510	1.5
101.02444	35.1
103.04010	20.2
110.34353	0.8
110.35180	0.7
112.98839	2.2
113.02451	9.1
115.04035	2.1
115.05549	1.0
119.03507	19.0
119.04325	1.3
125.02455	23.1
127.04023	2.7
130.08757	7.6
131.03481	2.8
131.05061	2.9
131.09093	2.0
133.06606	3.5
134.03737	6.1
143.03514	4.6
145.05049	3.4
149.06094	1.5
160.01599	1.1
161.02539	0.8
161.04584	4.7
162.03279	1.8
163.06131	21.2
175.04028	2.3
179.05614	5.3
190.02762	1.3
191.07198	0.9
193.05157	1.9
194.41473	0.7
205.05083	1.3
205.07256	1.2
208.49385	0.7
218.02202	1.1
233.04619	6.5
244.09970	0.8
245.04460	0.8
247.08250	6.3
289.09305	1.1
307.04785	11.5
307.10330	18.7
418.73413	0.8
441.17728	4.2
501.18350	2.3
501.25613	5.5
517.10107	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2706
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91710	1.3
54.63246	1.2
57.10063	1.3
59.01380	100.0
61.98812	2.6
71.01350	1.5
80.47256	1.4
83.01406	1.3
99.85933	1.8
101.02455	1.7
116.92823	3.1
124.46680	1.5
127.35879	1.4
162.83913	2.0
175.28761	1.4
209.81621	1.3
230.19350	1.7
274.97678	1.3
304.04242	1.5
342.04755	1.6
385.73145	1.6
399.23788	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04268	11.3
81.03493	12.4
89.13490	12.3
100.81483	11.0
112.37775	14.0
139.76518	13.4
171.10281	28.5
311.22324	100.0
383.39575	12.3
409.23663	13.6
443.85272	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	502.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.95930	0.6
59.01381	2.5
60.01668	0.6
61.98830	100.0
69.38354	2.5
78.26999	0.5
116.42891	0.6
128.03502	0.6
141.04160	0.6
142.87650	1.7
160.84273	1.3
164.85605	0.5
273.10577	0.6
310.67587	0.7
321.25446	0.6
439.19092	0.7
502.30521	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	502.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24451	0.4
59.01373	3.9
61.98829	100.0
71.01377	2.4
73.02943	0.4
82.95422	0.6
87.00876	0.5
89.02436	3.0
101.02452	1.2
112.98814	1.7
113.02507	0.5
125.02483	0.7
132.70639	0.4
135.04500	0.5
143.99196	0.6
149.04588	1.2
161.04465	0.4
165.09204	3.6
167.03563	0.7
188.44875	0.4
232.18042	0.4
285.68802	0.4
293.08865	1.9
303.08627	0.7
304.09140	0.7
466.14526	1.3
501.30624	0.7
502.30481	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53651	0.5
59.01376	1.0
61.98866	0.8
69.10735	0.5
69.48972	0.6
69.61295	1.1
69.61691	1.2
78.95902	10.0
78.96323	0.7
83.04996	0.5
87.27314	0.5
96.96993	1.1
107.57773	0.6
127.58427	0.6
132.46204	0.6
147.68118	0.7
152.99585	12.6
168.00662	1.5
171.00677	0.9
178.35146	0.5
211.05431	0.6
212.49153	0.6
213.48013	0.6
224.03348	2.9
242.04271	1.7
259.20691	0.8
265.21622	1.1
266.22003	1.6
277.21722	100.0
278.22043	4.1
502.25696	26.0
503.26077	1.5
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
54.61437	1.6
61.98831	100.0
66.05457	1.7
78.95873	2.4
87.74753	1.5
105.02795	1.5
105.29691	1.6
121.02942	2.3
163.36621	1.6
165.91896	1.6
216.34152	1.7
277.21622	4.4
280.05316	1.7
305.24915	3.0
355.43069	1.8
420.50354	2.1
502.26440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2934
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66571	0.1
59.01378	1.0
60.35468	0.1
69.75669	0.1
69.76017	0.1
71.01402	0.2
78.95905	7.0
83.05032	0.2
96.96966	0.1
115.79690	0.1
127.07683	0.1
144.28288	0.1
152.99586	0.6
155.98141	0.1
168.04317	1.7
182.13168	0.1
183.13768	0.1
186.55394	0.1
205.19572	0.1
224.06906	1.2
233.22742	0.3
242.07993	3.2
243.08319	0.1
259.20624	0.5
275.20084	0.3
277.21719	100.0
278.22055	3.8
391.28262	0.1
502.29391	9.9
503.29901	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04420	0.2
59.01382	0.8
61.98813	0.4
69.47353	0.6
69.47739	0.3
71.01379	0.4
78.95909	7.5
83.05035	0.4
98.22626	0.2
109.11823	0.2
152.99588	0.8
160.84264	0.3
168.04297	2.2
171.27789	0.2
191.89345	0.2
224.06949	1.0
227.20116	0.5
233.22768	0.5
242.08009	3.0
259.20712	0.4
275.19992	0.4
277.21732	100.0
278.22067	4.2
295.18417	0.2
352.15414	0.3
452.27890	0.5
469.04831	0.3
502.29391	10.8
503.29700	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.294
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.7
60.92188	0.9
61.98838	1.2
69.13797	2.3
69.14203	3.5
78.95907	24.7
127.70563	0.8
152.99571	3.6
168.04297	3.8
224.06956	9.6
242.08025	3.4
277.21735	100.0
278.22101	5.4
376.08975	1.1
438.03174	0.9
502.29413	34.6
503.29593	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	502.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15816	0.7
57.03442	2.6
57.31985	0.6
59.01389	4.5
61.98828	2.1
69.65507	2.5
82.95438	0.6
84.04558	4.9
85.02977	1.3
97.06613	0.9
98.21927	1.2
102.05611	14.9
114.09284	1.6
128.03543	30.0
139.11301	1.8
146.04582	2.0
185.11836	1.9
196.40395	0.7
198.18704	1.3
226.18355	0.8
244.90186	0.7
248.73738	0.7
267.19778	0.8
285.20740	5.5
305.06744	0.9
306.24268	0.8
313.23788	0.9
325.23825	4.8
337.23697	1.3
343.24652	0.8
355.24863	2.8
370.26059	1.3
373.25949	37.4
374.26328	1.5
410.28949	1.5
458.31332	6.1
484.29532	3.2
502.30252	100.0
503.30426	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	502.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.9
57.76106	0.5
58.00565	0.7
59.01375	2.9
61.98831	38.8
70.74776	1.0
71.05015	0.9
73.02946	0.9
74.02446	0.6
84.04543	2.3
87.04517	0.7
97.06607	0.6
102.05611	17.5
112.67500	0.5
114.09222	2.1
121.10234	2.1
125.09735	1.4
128.03542	32.5
143.43835	0.5
146.04611	2.8
149.82974	0.6
157.12349	0.9
169.12323	1.2
184.13289	0.6
185.11847	1.5
198.18661	3.4
208.82800	0.5
215.12898	4.7
226.18152	2.5
266.14417	0.5
317.50409	0.6
325.23709	1.5
343.24850	5.3
355.24869	5.5
371.24197	0.7
373.25949	40.4
374.26105	0.8
428.30188	1.9
440.30313	0.9
458.31323	6.4
484.29181	5.2
502.30228	100.0
503.30649	5.2
515.94238	0.5
527.07916	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.5
57.71063	0.3
59.01380	4.3
59.01653	0.3
61.98829	2.8
69.03474	0.4
69.39757	0.3
69.40078	1.4
71.01412	0.3
71.05019	0.3
72.04558	0.4
72.55315	0.3
73.02969	0.5
74.02513	0.6
82.02979	0.4
84.04551	4.2
84.04994	0.4
85.02958	0.8
89.02467	0.5
97.06635	0.6
100.04072	0.3
102.05611	16.2
114.09283	0.8
123.08189	1.3
125.09735	2.3
127.11314	1.3
128.03545	39.5
131.95679	0.3
135.04533	0.4
137.09787	1.3
139.11314	1.1
141.09206	0.4
142.12404	0.6
143.10808	0.4
146.04607	3.5
153.09210	0.5
153.12849	0.5
155.10764	2.0
162.05605	0.7
169.12325	0.5
170.08302	0.3
170.11938	0.6
171.10295	2.8
184.17084	1.3
185.11797	1.6
198.18721	1.0
200.10583	0.4
201.14966	0.4
212.16591	1.6
217.14447	0.3
230.15259	0.8
256.15591	0.5
325.23920	0.4
327.21729	0.4
327.43326	0.4
355.24850	3.1
371.24118	0.7
373.25952	47.4
374.26382	2.4
440.30228	0.5
458.31259	8.7
484.29138	4.5
502.30225	100.0
503.30600	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
59.01376	1.4
63.86404	0.7
65.00307	0.8
68.99832	1.2
69.49801	0.7
71.45134	1.0
72.99301	2.8
74.02474	0.9
79.66324	0.7
83.01385	2.8
87.00865	3.2
91.48096	1.0
107.01397	1.3
109.02940	2.9
112.69763	0.7
112.98786	2.3
116.05058	1.2
121.02963	4.5
123.04531	1.5
125.02441	7.1
133.02957	3.6
134.03732	1.2
135.04543	10.3
136.00903	0.9
136.04903	1.0
139.03987	1.5
143.88524	0.9
149.00949	5.0
149.02429	12.0
151.00374	5.4
151.03995	1.4
153.01936	100.0
154.02324	1.1
161.02461	9.8
162.02840	0.8
167.03464	1.5
177.01944	0.8
179.03482	8.5
186.96541	0.9
195.02951	2.9
201.01700	2.2
203.08257	4.8
219.03117	0.9
244.97824	0.8
293.03122	1.6
300.99982	1.1
311.04172	0.8
315.07211	59.4
316.07434	1.4
341.00003	1.2
375.02078	0.8
400.99533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71040	0.4
54.41071	0.4
55.86330	0.4
56.12888	0.4
57.03455	0.5
59.01381	4.6
61.98828	0.6
71.01374	1.1
73.02951	1.5
74.02459	0.4
75.00867	4.2
87.00900	0.5
89.02443	1.1
89.92538	0.4
90.64355	0.4
92.61717	0.4
92.92892	0.9
96.95986	0.4
97.59045	0.4
99.00887	0.8
99.92576	8.1
101.02399	0.5
108.92395	0.6
113.02474	0.9
114.93414	0.7
115.04024	3.4
116.07186	0.6
116.92859	100.0
116.97237	7.4
117.01936	5.3
117.05518	0.4
117.92871	2.2
119.03504	0.4
139.07619	0.8
142.97806	0.4
156.05882	0.4
161.04539	0.4
164.07167	0.5
176.62529	0.4
195.64508	0.5
206.08176	0.5
225.01042	0.4
237.14951	0.8
276.62915	0.4
281.13919	7.0
297.56757	0.5
396.67142	0.5
443.11685	1.3
502.28870	0.5
503.30246	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	503.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46589	0.3
56.50165	0.4
59.01378	5.2
61.98831	3.3
68.41750	0.4
69.31017	2.0
71.01389	1.6
73.02953	1.1
74.70277	0.4
75.00872	3.2
85.02944	0.8
87.00880	1.1
89.02444	1.4
99.00906	0.8
99.92585	8.2
101.02448	1.1
110.86497	0.4
113.02446	0.5
113.08969	0.4
114.93423	0.4
116.07189	0.6
116.92863	100.0
116.97250	5.3
117.01937	3.5
117.05602	0.5
117.92898	2.1
127.75084	0.4
130.71097	0.4
135.04539	5.2
141.76355	0.4
163.06084	0.4
179.03435	0.5
179.05583	0.5
179.96675	0.4
207.06567	1.2
222.96330	0.4
236.99881	0.4
281.13986	1.1
443.10052	0.5
443.15723	1.2
457.12219	0.5
503.16684	0.5
507.17960	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.162
Annotation	Raffinose
Peak:m/z	Relative Intensity
57.03454	1.3
58.00591	0.9
59.01380	95.4
63.88416	0.6
65.36925	0.8
69.03440	1.3
71.01384	72.6
71.43581	0.6
72.99323	2.8
73.02953	9.6
75.00881	1.0
76.41709	0.7
78.95917	1.9
81.03462	1.4
83.01402	2.7
85.02958	13.4
87.00877	19.7
89.02447	85.5
90.02765	1.0
93.09048	0.6
95.01373	5.2
97.02968	2.9
99.00906	2.3
99.04520	0.8
101.02448	50.5
107.03523	1.0
110.89941	0.7
111.00901	2.6
111.02042	1.1
113.02456	30.5
114.68266	0.6
115.00295	0.8
115.04012	0.9
115.05359	0.6
119.03506	17.7
124.85738	0.6
125.02467	3.1
129.01964	1.7
129.64781	0.6
131.03506	5.8
141.01961	1.7
143.03520	11.0
149.04585	2.5
149.56519	0.6
161.04561	20.0
168.99957	0.7
171.78851	0.8
179.05614	100.0
180.05974	1.7
195.75610	0.7
201.57066	0.8
212.87801	0.7
221.06665	51.1
222.07080	0.8
232.94791	1.3
263.07739	1.4
268.48260	0.6
281.08746	6.4
306.83878	1.1
306.87918	2.5
323.09860	10.1
341.10849	6.6
503.16183	79.0
504.16611	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	503.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05312	4.5
59.01373	52.1
65.68913	5.5
70.57726	4.5
71.01385	13.4
73.02959	25.0
77.84031	4.5
82.13091	5.3
85.02942	7.1
87.00906	8.9
89.02410	12.0
101.02405	30.6
103.04001	6.7
115.04032	8.6
119.03485	9.4
131.36714	5.2
131.42261	4.7
143.03473	7.2
145.05101	6.9
162.03230	55.0
163.06122	33.2
177.05585	100.0
178.22765	5.8
190.47626	4.9
205.07161	11.9
301.53412	5.3
503.17453	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	503.177
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87603	0.6
59.01374	3.8
64.51316	0.7
66.81060	0.6
71.01378	1.2
71.42165	0.8
71.42598	0.8
71.83007	0.7
76.96525	0.8
89.02412	1.1
92.02673	0.9
93.03457	3.9
126.85067	0.8
135.04530	100.0
136.04843	1.7
167.20926	0.7
275.48187	0.7
295.62952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22258	0.8
59.01360	1.8
61.98829	4.3
78.44016	0.8
78.95908	8.0
80.33642	0.8
88.24104	0.9
93.07035	0.9
96.72313	0.8
98.22646	1.6
110.98540	5.1
130.70439	0.7
152.99561	1.6
155.18417	0.8
162.71335	0.8
167.01149	1.9
185.02176	4.2
224.95573	1.0
259.20663	1.1
277.21716	100.0
278.22009	3.8
279.23276	1.8
335.17664	6.5
445.23611	31.8
446.23807	1.0
503.19403	24.9
504.19495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2107
Annotation	CHEBI:69286
Peak:m/z	Relative Intensity
61.98827	0.5
64.91065	0.4
68.32789	0.4
83.93157	0.4
84.93877	6.3
98.21879	1.0
99.92586	77.8
100.92609	1.7
100.93371	8.3
101.06081	11.4
115.92077	13.0
116.92862	62.1
117.92858	1.3
117.93630	0.6
152.99591	0.5
160.78351	0.5
182.93898	0.7
247.00896	0.5
271.20624	0.9
303.06909	0.4
316.07645	0.7
320.07440	0.7
334.08636	0.9
342.12839	0.4
357.15277	2.4
368.10864	0.5
371.13226	1.4
383.13098	1.0
386.11667	0.5
389.14194	1.5
401.14246	10.8
402.14487	0.9
403.28543	0.9
405.13840	0.6
405.29019	0.9
459.22101	0.6
488.18674	0.6
503.21069	100.0
504.21429	8.3
507.20874	0.5
516.16229	0.4
524.68939	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74731	1.5
54.81453	1.5
57.03448	6.9
57.81775	1.4
58.55832	1.5
59.01382	18.1
59.02824	1.3
61.98827	3.9
62.29959	1.7
66.47382	1.6
67.21062	1.3
69.19124	8.3
71.01382	5.8
71.05035	2.0
83.05008	3.4
87.00871	10.6
89.02448	1.8
90.93353	2.3
95.05033	2.0
96.96011	1.6
99.20187	1.5
99.92590	3.0
101.02470	3.5
111.04514	2.9
111.08157	3.0
113.02448	3.2
113.61418	1.4
115.04009	23.6
116.92867	24.5
124.05303	2.6
128.56841	1.4
137.06071	1.7
139.07654	17.5
144.94389	2.0
153.09181	2.8
161.04546	2.3
171.11797	9.5
189.12906	3.8
201.12883	4.3
206.08229	2.8
207.13879	4.1
219.13896	6.1
237.14969	23.2
261.15045	1.9
281.13937	100.0
282.14310	4.3
305.13931	3.2
323.14990	5.5
443.11984	3.9
443.18860	4.1
503.14731	4.5
529.18530	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	503.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98836	2.7
69.41159	1.9
69.41563	1.2
71.01386	6.4
73.02951	13.7
75.00893	1.3
75.02231	0.5
83.01391	1.8
85.02940	1.1
86.99462	0.5
89.02454	3.2
96.96014	0.8
101.02460	9.5
113.02460	3.6
114.96985	0.6
119.03524	1.0
131.03558	1.5
143.03519	1.2
149.04616	1.9
155.03514	0.6
161.04594	2.3
163.11369	1.8
209.07988	0.6
214.17485	0.6
221.11880	1.9
369.15564	1.4
411.16626	12.3
412.16599	0.6
489.46811	0.6
503.15045	0.8
503.25186	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01707	0.5
61.98840	1.0
69.27396	1.3
71.01408	0.4
86.74673	0.3
89.02471	0.3
101.02517	0.4
127.05145	0.3
128.03575	0.6
145.06303	0.2
221.45143	0.3
225.58456	0.2
282.09006	0.4
288.55594	0.3
297.11267	0.4
324.82935	0.3
330.31091	0.3
375.27542	0.4
388.88406	0.3
396.83783	0.2
443.19168	0.4
467.18396	0.3
503.33466	1.3
504.31876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01671	0.3
55.01883	0.5
57.03458	0.6
58.00595	0.9
59.01381	79.4
60.01711	0.3
60.96669	0.2
61.98834	1.2
64.88752	0.2
69.03474	0.8
69.47580	0.8
71.01385	47.0
72.99323	1.3
73.02950	18.9
75.00864	0.3
82.95456	0.2
83.01398	0.9
83.23037	0.2
85.02959	4.8
87.00880	0.4
89.02448	100.0
89.95290	0.2
90.02801	0.5
95.01394	0.4
96.96014	0.4
97.02939	1.4
99.00885	29.4
99.04478	0.3
101.02448	35.8
102.02805	0.3
109.02975	0.3
113.02454	6.9
113.03251	0.4
115.04038	0.5
117.75975	0.2
119.03504	2.9
122.03772	0.3
125.02465	4.1
131.03510	19.1
133.05031	0.3
135.04533	0.2
137.02507	0.3
143.03488	1.7
145.35300	0.2
149.04562	67.7
150.04938	0.4
152.07198	0.3
161.04578	2.0
191.05623	15.8
221.06609	3.0
231.49100	0.2
238.90791	0.3
251.07713	4.5
275.07471	0.3
293.08789	1.0
311.09662	1.1
330.94370	0.3
503.19107	0.7
503.25479	0.7
505.03821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
61.98829	100.0
68.84892	0.2
69.26518	0.4
69.26923	0.7
71.01394	0.4
73.02957	0.3
75.51026	0.2
77.02188	0.2
86.11155	0.2
86.17280	0.2
89.02448	0.3
94.72845	0.2
101.02444	0.2
103.04039	0.2
341.86044	0.2
351.49646	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04913	4.7
51.99383	5.7
52.33520	5.3
59.01384	67.5
61.98817	13.5
65.61558	5.7
69.18329	33.1
71.01382	62.8
85.02926	8.5
89.02448	87.2
93.34168	6.0
101.02427	22.6
113.02466	11.5
125.02414	19.3
131.03459	27.8
138.21870	5.4
149.04558	49.3
167.10786	100.0
170.04649	6.9
191.05687	7.0
212.69978	6.8
226.69847	5.9
233.06750	6.4
293.08826	71.7
332.49509	5.6
349.81247	6.4
468.32532	11.9
508.70602	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	504.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41147	0.4
61.98825	0.8
69.33436	1.7
69.33852	1.0
78.95900	9.0
130.30324	0.5
152.99591	10.3
155.03088	0.5
168.00687	0.8
176.80672	0.5
224.03308	2.4
226.37735	0.5
242.04332	1.8
279.23285	100.0
280.23755	3.8
307.26309	1.3
504.27325	25.7
505.27502	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	504.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55608	0.3
59.01384	0.4
61.98822	0.4
64.07764	0.3
69.23623	1.4
72.87843	0.3
78.95908	7.2
82.60603	0.3
84.60967	0.2
89.47007	0.3
98.22629	0.5
152.99606	3.1
167.81593	0.3
168.04338	1.7
180.77461	0.3
192.37395	0.3
224.06946	0.9
242.07985	3.5
261.22296	0.4
271.19730	0.3
277.18710	0.5
277.21725	8.4
279.23291	100.0
280.23627	3.3
470.46564	0.3
504.31033	10.6
505.25555	5.3
505.31696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98821	1.1
69.42146	0.4
69.42483	1.0
73.74146	0.2
78.95906	23.1
89.03767	0.2
96.96947	0.3
111.83222	0.2
144.39079	0.3
152.99591	4.9
168.04340	3.8
169.64012	0.2
171.00728	0.3
174.13589	0.3
218.85020	0.2
219.41943	0.2
224.06952	7.6
242.07961	2.2
261.22330	0.4
277.21735	4.4
279.23294	100.0
280.23709	3.5
384.29111	0.3
504.30984	29.1
505.25662	2.7
505.31741	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	2.2
58.61149	0.7
59.01378	5.6
59.14778	0.7
61.98830	4.3
73.53297	0.7
78.28970	0.7
84.04539	2.6
85.02962	1.0
87.04518	1.3
93.19628	0.7
95.40955	0.7
102.05611	14.7
109.06635	0.9
114.09240	2.3
123.08161	1.8
128.03548	33.6
134.03685	1.2
135.08174	0.9
144.24637	0.7
146.04585	2.5
153.09186	1.2
169.12334	1.4
173.20956	0.7
176.03513	1.3
177.04221	2.3
181.08885	0.7
185.11743	1.3
190.06256	0.8
192.06674	4.9
193.06999	1.7
194.09001	0.7
198.18625	3.4
226.18015	1.6
228.83835	1.0
274.10889	1.6
275.11194	1.5
329.23242	2.4
329.27078	0.8
341.13846	1.1
357.26428	6.0
373.26038	1.8
375.27518	45.9
376.27905	1.8
451.53964	0.8
460.32788	10.2
468.18936	1.4
486.30688	3.6
504.31784	100.0
505.32135	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	504.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	18.0
61.98832	10.4
69.60416	5.9
69.60799	4.1
75.09338	2.3
84.04535	3.1
100.07703	5.9
102.05606	51.8
127.87043	3.4
128.03540	72.7
131.91383	3.6
144.06682	11.1
145.95691	2.4
146.04619	15.0
149.25803	3.0
160.84302	3.8
170.04591	10.7
188.05649	9.0
203.12965	2.8
375.27435	9.1
504.31787	100.0
504.39264	5.3
505.31763	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.0987
Annotation	Quercetin 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
59.01375	3.2
63.02402	0.6
65.00312	1.5
65.14331	0.3
68.07900	0.3
69.52949	1.1
71.01378	1.4
73.02950	0.4
83.01405	1.0
89.02449	2.1
93.03460	0.3
97.78955	0.3
99.00915	0.5
101.02448	1.1
107.01382	2.9
108.02173	1.5
109.02942	1.8
113.02460	0.5
119.03499	0.3
121.02937	1.8
125.02427	0.4
131.03452	0.3
135.00912	0.9
135.04575	0.4
144.59244	0.3
146.52679	0.3
148.01660	1.6
149.02505	0.4
149.04564	1.1
150.99144	0.5
151.00368	10.2
159.04535	0.5
159.69456	0.3
163.00389	2.8
163.04053	0.4
164.01183	0.9
165.01973	0.3
167.03377	0.3
167.04950	0.4
169.01424	0.4
178.99854	4.7
183.04576	0.5
187.03908	0.3
190.99892	0.3
191.05672	0.4
198.03210	0.5
199.04027	0.8
200.04979	0.3
201.05595	0.4
203.03447	0.6
211.04001	1.3
215.03494	0.5
216.04253	0.9
226.02716	1.8
227.03499	4.0
228.04152	0.5
229.05040	0.6
243.02963	12.5
244.03447	0.5
245.04546	1.5
254.02188	1.9
255.02982	30.1
256.03363	1.2
271.02472	65.9
272.03040	3.5
273.03986	1.1
283.02399	1.2
299.02002	1.2
300.02737	100.0
301.03497	39.1
302.03946	1.0
343.04477	0.6
343.11917	0.4
353.03491	0.5
372.90881	0.4
463.03055	0.4
463.08905	3.4
473.07275	0.3
505.09879	68.8
506.10251	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	505.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72001	0.9
61.98822	1.0
63.09827	0.7
67.18077	0.8
69.19192	1.9
69.19598	2.8
78.95898	2.3
98.21880	2.0
98.89789	0.7
115.49954	0.9
121.02955	100.0
122.03246	1.5
122.38968	0.7
152.99529	1.8
162.06876	1.0
171.00668	0.8
181.06644	2.0
197.06023	2.7
207.04543	1.2
225.05568	3.0
245.04243	2.2
277.21799	4.4
278.22076	4.1
279.22250	4.9
280.22690	0.8
313.07297	3.7
318.37442	0.9
357.06265	1.0
383.07724	2.0
409.90271	0.8
417.09760	9.1
469.03180	1.0
505.11295	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	505.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.1
66.68066	1.2
69.53162	4.1
71.01369	4.0
72.82004	1.1
73.02945	6.3
78.01110	1.9
85.02939	2.2
87.00880	2.1
87.04523	2.2
101.02432	3.1
103.04041	1.1
106.00606	2.3
115.03997	2.6
119.56133	1.1
121.02950	32.0
123.00867	1.7
131.03484	2.8
137.02420	1.6
138.03210	3.6
139.04036	1.6
143.03549	2.5
153.05573	26.9
163.06111	1.5
164.44733	1.2
181.01538	1.3
182.02164	3.8
197.04547	100.0
198.04871	2.2
205.07141	1.8
211.06209	1.8
239.05606	8.5
303.64978	1.5
445.60309	1.3
505.15326	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98824	8.8
63.65363	0.8
69.76908	1.9
70.64597	0.7
71.01385	7.2
73.02950	6.2
74.52241	0.9
83.01389	1.2
85.02969	3.4
87.00861	1.0
89.02439	6.1
96.96035	1.0
99.92658	0.9
100.16901	0.8
101.02435	9.3
102.98580	1.3
103.01478	1.0
103.04030	2.6
106.29354	0.8
113.02478	2.0
115.03991	1.3
116.92873	2.8
117.92889	1.3
118.92638	1.5
118.96977	0.8
119.03529	3.0
125.02442	1.5
131.03514	0.8
138.01970	2.1
143.03493	2.3
145.05139	1.1
151.03987	1.6
161.02451	10.9
161.04543	1.8
163.06129	7.8
176.04793	8.1
179.03490	19.1
191.07132	4.2
194.05838	29.4
194.07591	1.6
205.07133	3.6
209.08188	88.8
210.08574	2.7
265.09558	1.0
299.11359	1.8
307.10349	0.9
439.88885	0.8
445.17133	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	505.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98835	7.9
64.99303	2.9
69.03448	5.6
71.01385	50.6
73.02943	25.5
75.23129	3.1
81.03467	10.0
83.01371	4.5
85.02940	18.6
87.00873	4.1
89.02448	32.6
97.02952	9.6
99.00865	3.4
101.02457	33.1
103.04007	28.6
108.55617	2.9
119.03509	15.4
125.02455	40.6
137.06090	53.3
143.03447	3.4
145.05060	6.6
161.02510	3.6
163.06131	39.8
174.32387	3.2
181.05113	6.2
194.78856	3.0
247.08180	9.4
307.10370	47.7
343.10382	6.0
369.19510	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	505.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.1
57.03433	1.9
58.00588	1.3
59.01381	100.0
61.98820	1.2
69.29859	3.6
69.30283	1.5
69.57103	0.9
71.01382	65.3
72.99307	1.4
73.02947	7.4
75.27814	0.9
77.98251	0.8
78.95904	1.1
79.07207	0.8
82.61693	1.0
83.01385	4.0
83.33865	0.9
85.02950	11.9
87.00886	2.5
89.02446	77.6
95.01379	3.5
97.02965	0.9
99.00874	1.7
101.02448	39.1
113.02451	25.6
119.03508	27.9
125.02445	2.1
126.75638	1.0
131.03510	11.6
143.03534	7.0
147.92731	1.0
149.04561	18.9
161.04584	8.0
164.27116	0.8
179.05618	19.0
191.05574	4.0
206.37962	1.0
233.06729	1.2
244.25778	0.9
288.99387	1.0
313.16571	44.7
432.15372	0.9
442.49765	1.1
445.20789	67.4
446.20938	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	505.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96725	1.4
55.01873	1.9
57.03436	2.7
57.59391	1.4
59.01380	100.0
61.98829	2.0
62.53509	1.3
64.91908	1.5
70.19978	3.2
71.01384	63.2
72.99300	1.4
73.02950	13.3
83.01376	4.9
85.02953	15.1
87.00869	6.3
89.02447	80.5
95.01392	1.6
97.02927	1.6
99.00915	1.9
101.02448	41.6
111.00879	3.2
113.02451	15.6
115.03945	1.6
119.03515	11.6
125.02452	3.2
131.03505	40.4
135.04536	3.2
143.03499	3.4
148.80650	1.7
149.04552	53.9
149.24158	1.3
161.04504	2.7
165.09172	2.0
174.40022	1.3
179.03529	3.3
179.05551	3.3
191.05606	17.5
271.13754	1.4
271.77026	1.3
293.08569	2.5
313.16586	6.5
366.33887	1.4
375.28149	1.4
427.40970	1.6
445.20786	91.7
446.20941	4.7
505.25714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
71.01366	0.6
71.58047	0.4
78.95907	9.4
78.96378	0.5
95.81523	0.5
131.28253	0.4
152.99597	15.3
159.16451	0.4
171.00677	2.1
174.51167	0.5
205.57793	0.4
227.03271	2.5
230.37602	0.4
233.22833	0.5
245.04242	2.0
259.20831	0.6
274.03241	0.4
275.20206	0.6
277.21729	100.0
278.22049	4.1
305.74139	0.5
381.06451	0.5
436.49023	0.5
505.25757	35.1
506.26279	1.8
511.36118	0.5
511.43906	0.4
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
54.09176	0.4
57.51992	0.3
59.01371	1.3
69.10182	1.7
69.10588	0.6
71.01387	0.4
76.58839	0.3
78.95905	13.4
90.81981	0.3
96.96977	0.5
98.21791	0.6
152.99596	11.0
168.04303	1.9
171.00639	1.4
178.12822	0.3
195.43686	0.4
223.42297	0.4
224.06924	1.0
227.03322	2.2
242.08000	2.4
243.08313	1.1
245.04329	1.6
277.21722	70.1
278.22034	3.0
279.23291	46.3
280.23627	100.0
281.23810	1.7
382.63004	0.4
385.59064	0.4
394.80896	0.4
494.01654	0.4
504.30698	0.4
505.25647	22.7
505.31604	10.9
506.26083	1.4
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
59.01416	1.7
69.14370	2.3
74.41508	0.4
78.95905	19.1
96.97003	0.7
152.99590	17.9
168.04294	1.0
171.00684	1.6
176.99733	0.4
182.13179	0.5
193.47864	0.4
224.06934	1.9
225.07349	0.6
227.03242	3.7
233.22589	0.5
242.07944	0.7
245.04272	2.0
277.21719	100.0
278.22052	4.0
279.23294	10.8
280.23639	25.0
281.23773	0.5
505.25443	35.7
505.31540	4.9
506.25864	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2573
Annotation	Amoritin
Peak:m/z	Relative Intensity
57.43799	0.5
59.01378	1.1
60.05375	0.4
70.18667	0.6
70.19004	1.2
75.00147	0.5
78.95902	29.1
96.96967	2.4
102.00581	0.6
113.76302	0.5
150.98009	0.9
152.99585	42.8
171.00648	2.0
192.81660	0.5
211.43019	0.5
213.71011	0.6
227.03235	6.4
245.04256	1.2
259.21027	0.5
277.21713	100.0
278.22052	4.2
335.94928	0.4
413.20898	1.5
505.25717	81.7
506.26047	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	506.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
59.16440	0.7
61.98809	1.0
64.56049	0.7
69.48988	0.7
69.60986	2.2
69.86971	0.7
93.07269	0.8
107.45663	0.6
125.87241	1.1
126.88113	1.2
128.87802	0.8
143.62305	0.8
160.84230	40.5
162.83919	100.0
168.16560	0.8
232.58672	0.7
290.92413	0.8
303.93237	0.8
327.00760	1.3
362.99261	0.7
398.96326	4.6
400.95932	15.6
401.96420	0.8
468.03329	3.1
470.03030	7.8
516.53339	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87951	0.2
58.38335	0.2
58.99606	15.7
59.01387	2.5
60.76703	0.2
61.98833	1.6
62.68014	0.2
69.15182	0.4
69.15585	1.0
70.23853	0.2
71.01379	0.7
74.99096	1.9
80.91080	0.2
98.22682	0.5
102.98600	100.0
103.98967	0.6
111.08009	0.2
120.99660	8.6
121.02973	0.3
122.03748	5.7
123.00896	0.4
123.04552	0.4
126.75755	0.3
138.03247	0.2
150.05565	0.4
151.06377	0.6
152.07178	40.4
153.05716	0.3
153.07484	0.7
153.09174	0.3
160.01654	0.7
161.02435	0.8
163.00719	8.1
165.00085	0.3
168.04901	0.3
175.04007	2.0
176.04788	1.2
177.05597	0.3
179.07054	0.4
191.07153	0.9
192.99637	1.1
208.02008	2.6
209.02704	0.8
210.03516	0.6
223.04356	6.0
224.04994	0.3
225.05922	2.8
315.08856	0.3
327.08502	0.3
342.13437	7.2
343.13663	0.5
367.17587	0.4
464.13766	0.8
488.72073	0.3
492.84067	0.3
506.15039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1488
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99601	16.5
59.01383	2.6
59.56481	0.4
61.98832	2.8
69.06438	0.3
69.68114	1.4
71.01369	0.8
74.99083	2.2
96.96010	0.7
101.02493	0.4
102.98596	100.0
103.98978	0.4
120.98764	0.6
120.99654	10.6
121.02982	0.7
122.03748	6.1
123.00900	0.5
138.03258	0.4
150.05626	0.4
151.06390	0.7
152.07173	45.4
160.01625	2.5
161.02464	1.4
162.03261	0.4
163.00700	7.5
168.04922	0.4
175.04024	3.5
176.04745	1.3
191.07138	0.8
192.99622	2.3
196.03966	0.4
208.01985	5.9
209.02756	0.6
217.00238	0.5
223.04335	15.8
224.04997	0.4
225.05870	3.0
232.96463	0.3
251.44888	0.4
327.11069	0.4
342.13470	8.2
343.13406	0.4
359.09879	0.4
360.10699	0.6
376.11978	0.8
390.38065	0.4
464.13846	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	2.2
59.76711	0.3
61.98824	2.4
86.60052	0.4
99.92601	0.7
108.02167	8.6
110.35638	0.3
120.01176	0.4
130.95950	0.4
138.01968	100.0
139.02281	1.0
181.83487	0.4
209.08215	0.8
210.08521	0.7
277.94067	0.4
470.08881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.4
59.01373	4.0
61.98829	100.0
66.62556	0.3
70.67830	0.6
71.01385	2.6
72.99280	0.4
85.02979	0.8
89.02454	1.6
91.36942	0.4
94.96564	0.4
101.02457	2.4
112.98815	0.6
113.02498	0.9
119.03506	0.6
232.53679	0.4
293.08945	0.9
443.19196	19.6
444.19598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53149	1.4
57.03455	1.3
57.91454	1.3
59.01372	2.2
61.98824	1.4
67.48844	1.2
70.90268	2.0
74.64632	1.3
78.95902	18.0
80.02666	5.4
81.03468	1.9
83.05023	17.0
84.02156	5.1
92.62579	1.4
97.06597	2.9
99.08111	2.0
109.06561	1.9
115.07614	2.0
125.09724	3.1
127.11250	3.2
137.09732	25.4
139.11302	7.1
140.01205	7.1
151.11272	2.5
152.99608	2.8
153.09207	1.6
155.10797	26.7
160.84258	2.0
162.83907	2.2
164.62727	1.2
171.10266	37.8
193.12357	9.9
195.13823	1.4
196.03748	3.2
209.11804	2.3
210.99156	1.3
211.13356	3.0
214.04846	9.6
247.20641	2.5
263.20248	2.4
265.21765	2.7
291.19675	30.6
309.20715	100.0
310.21057	2.3
351.11456	1.8
506.25232	47.9
507.25305	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	506.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87920	1.0
55.01856	1.1
57.03428	3.9
59.01356	2.2
60.44144	1.0
67.01881	0.9
69.03436	1.4
70.45229	2.1
71.01394	1.7
78.95903	33.6
80.02672	2.5
81.03455	3.4
83.01384	7.3
83.05024	7.4
84.02184	2.1
95.05030	1.9
97.06577	3.2
99.08144	1.4
111.08164	1.4
113.09657	1.1
115.07681	1.8
121.91895	1.1
122.00102	1.4
123.04494	1.2
123.08178	3.6
125.06068	1.5
125.09703	8.5
127.11310	2.6
135.08244	1.1
137.09708	9.2
139.11322	5.2
140.01175	10.2
141.09180	1.3
149.09688	1.8
149.58998	1.0
151.11281	6.0
152.99582	4.2
153.09148	1.2
155.10776	6.2
155.11902	1.3
161.09740	1.3
163.11313	8.1
165.12831	17.6
167.10759	3.7
171.10251	7.7
179.14450	1.4
181.12328	9.4
183.13962	1.2
191.10860	5.3
193.12323	4.6
193.15959	3.5
196.03838	9.3
203.45970	1.1
209.11816	73.3
210.12201	1.3
211.13383	3.3
214.04852	13.8
219.17502	1.4
227.12854	1.2
247.20615	12.2
263.20157	1.4
265.21881	2.0
273.18616	2.6
279.48718	1.4
281.21228	1.8
291.19662	65.8
292.19867	2.7
309.20697	100.0
310.21017	3.6
450.47162	1.3
506.25232	95.6
507.25540	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	506.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82172	0.5
57.03437	0.5
59.01385	1.0
59.54736	0.5
61.98831	0.8
68.67993	0.5
69.03470	0.6
69.14597	1.8
69.15024	1.6
71.05013	1.2
74.10740	0.5
78.95907	16.5
80.02684	4.6
80.28407	0.7
81.03472	1.9
83.05027	13.9
84.02181	4.3
85.06628	0.5
97.06612	2.0
98.21853	0.9
99.08184	1.9
109.06601	1.3
110.03764	0.7
113.09733	1.2
115.07668	1.9
122.00150	0.7
123.04520	1.6
123.08221	0.6
125.09740	2.4
127.11279	2.0
135.08139	0.7
137.09724	24.8
137.17694	0.5
139.11272	2.6
140.01199	6.3
151.11317	1.6
152.99576	2.0
153.09213	4.7
154.09953	0.6
155.10793	24.9
162.83899	1.2
163.11288	1.0
164.83649	4.0
165.12843	1.0
167.10753	1.3
169.12357	1.4
171.10274	29.4
175.11255	0.7
177.12889	0.9
179.10689	0.9
185.11911	0.8
193.12338	10.2
195.13930	1.3
196.03770	3.7
207.65979	0.5
209.11879	1.9
211.13463	1.9
214.04866	10.2
245.50757	0.6
247.20601	3.8
263.20163	2.5
265.21783	2.0
281.21176	1.0
291.19678	37.4
292.20096	1.9
309.20721	100.0
310.21063	3.5
465.78073	0.5
468.09232	1.0
470.19519	0.8
506.25229	50.0
507.25742	2.1
508.51462	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	506.2521
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.3
59.01382	5.6
61.98822	3.7
67.50262	1.2
69.03453	1.4
70.81602	1.8
71.01373	1.3
71.05013	5.3
71.20516	1.0
73.02960	1.1
74.33239	1.0
78.95904	28.8
79.65203	1.0
83.05036	1.6
85.06586	2.0
86.07561	1.0
97.02946	2.6
97.06583	3.6
97.68664	1.2
109.99036	1.0
118.51394	1.1
119.08682	2.9
121.10226	1.3
125.09711	1.8
125.36137	1.0
127.11243	1.2
137.09674	6.6
139.07680	1.2
140.01221	8.9
152.99574	3.6
155.10779	1.5
160.84186	1.7
162.83948	1.2
167.10796	1.3
171.10281	22.9
181.12363	1.0
183.10323	1.4
183.13893	1.2
185.11798	5.7
189.16393	1.2
195.13832	2.8
196.03801	7.5
197.11945	1.4
201.11351	1.1
209.15456	33.5
214.04846	12.3
221.15575	2.5
223.17052	15.9
229.19606	3.5
233.15422	12.8
251.16536	22.0
273.18588	5.0
288.55640	1.1
291.19641	28.7
309.20724	93.8
310.21045	2.5
506.25232	100.0
507.25418	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	506.325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90036	0.8
59.53854	0.8
66.14903	0.8
66.86105	0.8
69.72324	1.7
69.72720	1.9
73.83877	0.7
78.95905	21.9
82.51074	0.8
95.95115	0.8
101.54278	0.8
107.68601	0.8
108.97868	2.3
118.95588	0.9
122.00077	0.9
140.01207	6.5
151.08195	0.8
152.99586	3.9
196.03833	10.1
208.68451	0.8
214.04939	1.8
217.52673	0.7
256.75082	1.0
281.25299	1.0
309.27994	100.0
310.28317	4.1
337.21725	3.5
506.32544	44.3
507.32971	1.0
523.68555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33926	0.3
59.01395	0.5
61.98804	0.3
69.92401	0.9
71.03968	0.3
72.51214	0.3
78.95905	22.7
96.96970	0.8
124.93270	0.3
152.99583	7.4
168.04335	2.6
169.93810	0.3
171.00609	0.4
224.06921	7.8
242.07967	2.2
279.23294	11.0
280.23773	0.9
281.24850	100.0
282.25171	3.8
295.15457	0.5
385.42020	0.4
506.32523	32.9
507.27124	6.5
507.33264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1082
Annotation	emodin dianthrone
Peak:m/z	Relative Intensity
52.10560	0.6
52.95110	0.6
61.05662	0.6
68.24580	0.7
69.58559	2.4
83.73950	0.6
92.66038	0.6
93.03455	3.5
106.91190	0.7
107.04980	0.6
121.02998	1.6
125.87356	0.9
135.62300	0.7
139.04018	0.8
149.24701	0.7
162.06848	3.4
177.09189	1.8
190.73090	0.6
197.06094	11.7
198.06555	0.8
200.52803	0.7
286.06372	1.2
289.08847	0.8
299.07193	0.9
301.08722	1.5
314.05777	1.2
317.08139	2.5
329.08228	1.8
329.23337	2.1
343.05930	1.8
344.06763	0.9
345.07654	2.4
372.06302	1.5
373.07162	100.0
374.07455	3.3
399.05084	2.8
428.29230	0.8
489.32285	2.1
507.10834	31.3
507.33383	7.0
508.11249	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	507.1142
Annotation	2''-Acetylcallunin
Peak:m/z	Relative Intensity
57.03448	12.2
59.01377	3.2
61.98825	1.4
63.02391	0.4
65.00327	2.8
71.01380	1.2
71.44743	0.4
78.66351	0.3
81.03483	0.6
83.01390	4.4
85.02969	0.4
87.00880	0.3
89.02431	1.0
93.03448	0.6
95.01385	2.6
96.02174	1.2
96.52946	0.3
101.02460	1.0
107.01398	2.5
108.02177	0.6
109.02969	2.9
111.00873	1.7
112.98784	0.4
113.02464	0.4
118.98087	2.0
121.02929	1.8
122.03686	0.4
123.00896	1.4
123.04507	2.7
124.01677	6.1
125.02449	100.0
126.02779	1.4
133.02972	1.1
135.04538	0.6
137.02454	3.1
139.00359	0.6
139.04025	1.3
143.04903	0.4
147.04506	1.3
149.02457	3.2
149.04518	0.6
150.03247	3.2
151.00369	9.0
151.04022	5.1
152.01157	16.7
153.01952	6.4
158.03806	0.4
159.04539	0.8
160.05301	0.3
161.04578	0.4
161.06036	1.2
163.00371	1.3
163.03925	0.4
165.01907	0.7
165.05550	0.9
166.02649	0.7
169.01349	0.3
171.04543	0.8
172.05368	1.0
173.06065	1.4
174.03230	1.6
175.03998	5.5
176.01181	2.5
177.01917	3.8
178.99873	7.1
180.00626	1.3
181.01419	1.2
185.06107	0.5
187.04036	0.7
188.04761	2.6
189.05556	5.2
191.03452	1.9
191.07191	0.7
193.05066	2.9
197.06152	0.3
199.03995	1.5
201.01961	0.6
203.07149	1.0
211.04013	0.4
213.05542	1.0
215.03581	0.4
215.07190	1.8
216.04269	1.6
217.05058	10.6
218.05502	0.5
219.02995	0.8
229.05109	0.6
230.05849	0.6
231.06619	2.4
235.06160	0.7
241.05106	2.1
243.02913	0.7
251.04428	0.4
256.03772	0.4
257.04565	1.4
258.05414	0.6
259.03256	0.5
259.06113	14.3
274.04770	1.6
275.05582	7.4
284.03403	1.6
285.04034	25.8
286.04327	0.7
303.05109	7.7
304.05624	0.5
377.19766	0.5
377.28329	0.3
419.09882	0.4
423.09280	0.5
437.10779	0.7
447.20615	0.3
447.26282	0.7
463.12552	2.1
479.11957	19.3
480.12204	0.8
489.10382	10.2
490.10455	0.4
507.11435	88.1
508.11801	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	507.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.6
57.03448	0.6
59.01381	22.4
60.01699	0.2
61.98844	0.2
69.88872	0.3
69.89220	0.2
71.01383	10.4
72.99297	0.2
73.02934	1.3
83.01405	1.0
85.02953	2.8
87.00893	0.4
89.02446	6.9
89.37660	0.2
93.88931	0.1
95.01399	1.0
99.00908	0.4
99.70698	0.1
101.02442	7.1
113.02451	3.7
119.03512	2.5
124.92183	0.1
125.06108	0.1
130.22781	0.1
135.04512	0.2
136.05307	0.2
143.03529	0.2
154.98224	0.2
159.02934	0.2
161.04625	0.2
165.09219	0.6
176.56750	0.1
201.16460	0.2
217.15831	0.2
230.13187	0.4
245.15477	17.7
246.15791	0.7
255.17563	0.4
271.13303	0.7
271.16653	0.2
273.18561	0.2
283.17035	0.5
289.14554	1.1
298.06335	0.2
301.18094	0.8
310.21002	0.2
332.53085	0.2
345.17065	0.5
346.14709	0.2
507.22351	100.0
508.22662	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	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30734	0.7
55.01868	0.8
57.03441	1.5
58.00569	0.8
59.01379	58.9
61.98825	1.3
66.53152	0.7
69.00335	0.8
69.03428	1.1
69.29150	3.7
71.01382	42.4
72.99342	0.7
73.02942	11.7
75.00920	0.8
83.00933	0.8
83.01361	4.8
85.02944	15.4
87.00860	2.6
89.02443	26.2
89.78961	0.7
95.01383	1.9
97.02947	2.4
97.26212	0.7
99.00893	4.3
101.02448	27.0
103.58209	0.7
111.00866	2.2
113.02448	11.2
119.03493	1.0
123.53172	0.8
125.02449	3.1
131.03506	12.7
143.03485	2.0
149.04555	8.0
155.06915	0.8
159.03014	1.2
161.04544	10.0
191.05606	2.8
233.06673	1.3
293.08722	2.3
315.18085	12.6
447.22345	100.0
448.22818	4.0
526.63171	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88559	1.8
55.01871	4.2
57.03431	6.1
59.01382	65.6
61.98830	2.9
69.74429	6.7
71.01382	81.3
71.80005	1.8
73.02938	24.6
75.00877	3.0
81.03441	2.4
82.94575	1.8
83.01389	9.6
85.02951	30.3
87.00860	2.6
88.98804	2.3
89.02445	35.5
95.01396	5.6
97.02941	3.6
99.00849	9.6
101.02446	48.6
111.00916	2.1
112.98776	2.7
113.02452	31.8
118.55352	1.8
119.03497	7.7
125.02432	3.9
130.49295	1.6
131.03496	10.5
135.04520	5.8
143.03455	3.0
149.04517	8.9
159.03011	9.2
161.04564	42.1
167.10760	5.0
179.03473	4.2
191.05565	3.9
202.60396	2.1
207.82971	1.8
274.25827	1.9
293.08902	5.4
315.18106	92.0
316.18228	4.2
368.73871	1.8
376.59540	2.0
447.22330	100.0
448.22684	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88533	1.3
57.03449	2.2
58.00595	1.9
59.01379	100.0
61.98817	2.0
69.03471	1.6
69.66389	2.1
69.66734	3.4
71.01380	56.4
73.02945	10.6
76.89696	1.2
83.01385	3.0
85.02961	11.8
87.00869	5.6
89.02445	83.4
99.00882	1.3
101.02448	45.8
106.23865	1.3
111.00880	1.5
113.02454	13.0
119.03505	10.1
122.22565	1.2
125.02441	3.1
131.03505	38.1
143.03523	1.9
149.04555	69.2
161.04630	1.6
179.05516	2.5
191.05620	20.0
231.40428	1.2
238.47554	1.3
240.26239	1.3
251.07642	1.6
270.20935	1.3
307.19031	2.1
307.99036	1.4
315.18018	4.4
403.11853	1.7
429.00705	1.3
447.22360	50.6
448.22827	3.0
503.42889	1.6
507.22052	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
64.37015	0.4
69.16124	1.8
75.43724	0.4
78.95901	7.4
80.60769	0.3
96.96967	0.6
101.92113	0.3
104.24846	0.4
131.35722	0.3
134.30650	0.3
152.98340	0.6
152.99582	12.4
171.00674	1.2
193.35034	0.4
227.03297	2.0
245.04333	1.5
253.38115	0.4
279.23288	100.0
280.23593	4.0
281.24918	0.7
282.25131	1.2
291.96063	0.4
507.27243	28.8
508.27533	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
66.69476	0.4
68.40337	0.4
69.18446	1.3
69.18858	1.3
78.95901	14.4
80.75922	0.4
85.97574	0.4
91.26568	0.5
96.96991	1.4
101.44412	0.5
152.99588	21.5
171.00662	0.8
205.36664	0.4
221.02998	0.5
227.03200	2.8
245.04315	1.5
279.23285	100.0
280.23611	4.0
281.24875	3.0
282.25208	4.6
314.32639	0.4
344.31055	0.5
362.38791	0.5
433.23392	1.8
507.27185	41.0
508.27664	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	507.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
60.41069	0.4
61.98862	0.6
62.77261	0.6
64.95879	0.4
70.96319	0.7
78.95903	17.4
81.49752	0.4
94.58521	0.4
96.96992	0.8
103.29887	0.5
152.99599	20.5
171.00688	1.5
183.08757	0.5
222.95586	0.6
224.06993	1.1
227.03294	2.5
242.08183	0.6
245.04401	1.2
249.88770	0.4
261.22186	1.1
279.23291	100.0
280.23611	4.1
281.24872	9.5
281.76123	0.5
282.25177	17.7
328.24182	0.6
364.30710	0.5
422.24048	0.6
444.97028	0.5
506.32129	0.7
507.27045	36.7
507.32938	3.9
508.27487	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	508.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92021	0.9
57.73154	0.8
61.98830	1.0
69.85355	0.9
70.31508	1.6
71.41793	0.9
71.73805	0.8
78.13313	0.8
96.95248	0.8
120.01254	100.0
160.35747	0.8
197.94563	0.9
352.07776	1.0
402.13071	0.9
471.08795	0.9
508.24469	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98828	100.0
66.28490	0.3
71.46616	0.4
84.32464	0.3
87.00882	0.9
112.98821	1.2
120.29505	0.4
133.02969	1.1
135.04517	3.7
136.04828	0.4
141.03162	0.3
146.45313	0.3
149.00896	2.7
161.02483	1.5
179.03487	2.8
219.03143	0.4
224.16444	0.3
234.99226	0.5
277.00397	0.5
293.03195	0.6
311.04251	1.0
521.59833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
61.98831	100.0
68.38586	1.5
69.26898	3.5
69.27299	6.2
71.01380	2.4
72.56099	1.8
72.67821	1.4
73.02977	1.9
98.21880	3.6
99.96704	1.5
107.40651	1.6
121.82713	1.5
195.02875	1.5
316.18350	3.3
357.52206	2.2
451.86896	1.7
469.51981	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	508.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.2
61.98825	6.3
78.95911	15.1
83.35965	2.1
140.01126	4.5
152.99594	5.4
171.10283	2.4
177.40732	2.2
180.25761	1.9
195.64468	2.1
196.03725	3.5
214.04863	9.6
249.18600	7.8
267.19644	100.0
268.19833	4.6
275.16528	6.7
293.17621	35.4
311.18665	52.3
311.22000	3.4
312.18964	2.9
377.02298	2.8
508.23145	79.2
509.23657	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	508.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76971	3.1
61.98825	12.1
70.59921	4.7
78.95921	22.6
139.11281	6.7
140.01158	6.4
150.51172	3.2
162.83940	9.9
171.10266	21.5
171.76801	3.1
185.11909	5.5
200.54530	4.3
211.13420	9.4
211.15363	3.4
214.04921	5.6
278.66168	3.3
293.21176	15.2
311.22275	100.0
508.26752	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2891
Annotation	NKH477
Peak:m/z	Relative Intensity
56.50562	0.7
57.03428	1.0
59.01381	2.2
61.98821	2.6
69.25948	4.3
71.01389	0.8
80.04643	0.7
85.02959	1.5
97.60587	0.7
101.02425	2.0
110.89732	0.8
128.03543	7.5
129.01930	1.4
139.11279	4.0
150.01726	16.8
160.84180	0.8
165.08656	0.7
168.02765	7.9
180.06482	1.0
207.09973	1.4
212.01781	1.1
237.84795	0.7
246.14807	1.0
264.15805	3.2
292.15366	2.9
306.16614	1.0
312.34656	0.8
331.21616	1.0
336.14374	2.0
386.26700	1.0
402.26422	1.3
404.27686	1.6
416.27313	1.3
418.25650	1.8
432.27155	5.0
434.28754	1.9
449.18369	0.7
478.27802	4.8
508.28845	100.0
509.29309	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02706	4.2
54.39286	4.4
59.01378	5.1
65.77923	4.1
70.01634	4.6
70.64059	7.2
87.00874	13.0
89.79124	4.8
98.21861	4.3
112.98820	12.4
132.38770	4.2
134.03735	5.4
135.04517	74.8
146.82979	4.6
148.05925	4.2
148.66618	4.8
149.00920	100.0
161.02458	7.6
179.03502	86.4
191.03433	8.4
215.09372	8.8
219.02954	9.9
293.03021	17.4
311.04099	48.2
380.37515	5.8
428.85651	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	509.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
61.98831	100.0
72.99309	0.2
75.85584	0.2
108.02174	0.2
112.98814	0.2
135.04536	0.4
138.01988	1.3
139.02324	0.6
140.02469	0.4
149.00978	0.4
175.79967	0.2
179.03485	0.5
195.06795	0.2
195.41559	0.2
301.24707	0.2
311.03995	0.2
347.11401	0.7
532.17645	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26297	2.6
59.01383	18.0
61.98830	13.8
69.24825	15.1
71.01384	6.1
78.97135	2.7
85.02944	2.7
88.92184	2.9
90.98594	32.3
96.95988	3.1
113.02458	3.9
117.22488	2.6
120.09250	2.5
146.89442	2.5
147.00879	8.6
149.02446	3.7
157.24197	2.9
161.02501	5.8
162.03223	19.7
177.01923	8.5
177.05588	26.1
179.01901	4.2
179.03517	9.4
192.04301	10.7
194.05832	6.4
195.01180	19.0
195.52231	2.8
196.02017	7.9
207.01265	11.2
207.06660	9.2
209.08386	3.9
210.03542	25.7
211.04314	12.8
222.03586	7.2
225.03706	5.3
225.05907	100.0
237.05916	9.6
310.88773	2.7
408.71307	4.1
449.27328	5.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
71.01376	7.7
71.42716	1.0
72.99312	1.0
73.02947	3.0
84.69592	0.8
85.02943	2.3
85.56216	0.8
89.02444	5.9
92.19412	0.8
97.49251	0.9
101.02440	4.0
103.30551	1.0
106.24383	0.8
113.02463	3.0
117.58810	0.9
119.03514	2.2
125.87325	1.2
135.04547	1.2
148.90945	1.4
161.04556	2.2
179.05611	1.2
185.11815	2.1
189.12839	2.8
213.11192	1.8
248.99164	0.8
300.91943	0.8
378.93616	0.8
382.26117	1.0
387.20145	4.8
429.21344	4.8
510.05447	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2394
Annotation	Tricalysioside A
Peak:m/z	Relative Intensity
55.01890	0.6
57.03458	0.5
59.01381	17.9
61.98837	1.1
69.25710	1.0
69.26120	0.5
71.01384	9.2
72.99304	0.3
73.02965	0.4
78.95907	0.5
83.01395	0.3
83.05043	0.3
85.02948	2.0
87.00867	0.2
87.04544	0.4
89.02445	9.9
95.01389	0.6
101.02452	3.4
112.01701	0.2
113.02454	4.2
113.03249	0.3
119.03501	3.6
123.43512	0.3
131.03510	0.5
143.03514	0.8
149.04568	0.4
161.04506	1.2
173.13370	0.8
179.05617	3.5
181.99309	0.2
201.12953	0.5
217.12308	0.3
226.06480	0.3
227.14395	0.5
229.15964	15.1
238.30743	0.3
239.14552	0.3
255.17532	7.1
257.19131	2.8
259.20648	3.0
267.17346	1.7
267.19916	0.4
268.19949	1.8
273.14926	0.7
283.17035	0.5
285.18607	13.9
286.19019	0.3
293.17633	0.2
294.17993	0.7
301.18088	1.2
303.19662	12.9
304.19937	0.9
311.18600	0.3
312.19046	1.0
329.17584	26.8
330.17932	1.5
347.18625	100.0
348.18982	4.4
361.20132	0.8
389.19696	35.0
390.20050	1.8
449.21738	0.6
509.23849	27.3
510.24332	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
68.16325	0.3
69.55289	1.3
78.76648	0.4
78.95910	6.9
84.94126	0.3
96.96955	0.7
108.54706	0.3
152.99599	12.9
171.00668	0.8
177.90948	0.3
180.51425	0.3
227.03223	1.9
245.04333	1.5
281.24863	100.0
282.25208	4.5
374.81406	0.3
420.87390	0.4
421.12302	0.3
509.28864	33.7
510.29462	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87996	0.3
58.63515	0.4
63.65572	0.4
69.47399	1.8
75.67008	0.4
78.95908	8.5
90.56039	0.4
92.46770	0.4
96.97005	0.9
122.12859	0.4
124.53374	0.4
152.98338	0.9
152.99588	17.4
165.02177	0.4
166.16826	0.4
171.00645	0.9
227.03233	3.4
245.04298	1.8
245.13882	0.4
281.24863	100.0
282.25256	3.2
509.28848	43.8
510.29080	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06380	1.9
61.98831	2.7
62.79375	1.6
70.99055	2.1
78.95902	17.2
96.33739	2.0
107.84117	1.7
112.24615	1.7
152.99574	5.1
163.02525	2.0
165.11676	1.9
168.04295	2.0
224.06816	9.1
227.20164	100.0
404.97678	2.1
452.27805	88.1
453.27814	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	510.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	8.3
59.80685	5.9
61.98829	33.3
69.41235	12.6
69.41647	19.2
72.99308	16.8
77.76283	6.8
81.72118	5.2
95.43304	6.0
125.87325	10.1
133.03014	6.1
142.87668	8.0
148.90956	13.9
165.01961	9.0
203.33307	5.7
207.65213	6.0
285.04013	13.7
297.03943	15.6
298.04886	21.8
299.05588	6.6
310.19077	7.4
327.05109	68.5
339.04779	8.2
357.06091	47.9
447.09305	100.0
510.05142	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14876	1.5
52.53022	1.8
59.01373	7.5
61.98829	31.8
62.47309	1.7
70.78702	2.8
71.01382	5.8
85.02956	2.0
94.77319	1.7
101.02420	2.4
121.02959	2.1
135.04510	1.9
151.00378	6.6
159.62715	2.0
164.01117	2.1
178.99863	2.1
232.03879	1.9
243.03082	4.3
255.02972	20.4
271.02487	40.1
272.03146	2.7
285.03952	5.3
300.02744	90.7
301.03510	26.0
343.65396	1.7
382.18073	1.9
383.88217	2.2
447.09323	100.0
448.09821	5.4
449.27310	2.8
481.09445	1.8
510.31046	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.7
60.02259	1.0
61.98829	21.1
63.02375	0.9
69.17122	4.6
71.01373	2.2
72.79003	0.8
83.01397	1.1
89.02470	1.2
91.65594	1.0
101.02433	1.6
107.01401	1.5
109.02940	2.6
120.99591	1.0
121.02989	2.6
125.02330	1.1
151.00380	10.3
163.00342	3.4
170.68820	1.0
178.99799	6.2
182.17276	0.8
210.30862	1.1
211.04056	1.5
226.02487	1.2
227.03401	2.0
229.05121	1.3
243.02892	4.7
245.04509	1.1
255.02982	20.8
270.99557	1.5
271.02460	28.6
272.03094	2.0
273.03915	1.2
283.02499	2.3
300.02747	67.8
301.03506	48.5
302.03793	2.0
319.37506	0.9
329.23315	1.1
347.24405	1.4
447.09314	100.0
448.09650	4.4
448.28647	1.1
509.29404	5.3
510.30048	6.1
535.29852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94861	0.4
59.01384	0.9
61.98829	100.0
71.67292	0.4
76.22116	0.4
76.22604	0.4
82.95394	0.9
135.04607	0.4
142.44781	0.4
172.00131	0.4
450.21643	0.9
510.24478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76524	0.3
59.01372	0.8
61.01815	0.3
61.98832	100.0
71.01383	0.6
71.44883	0.4
75.30103	0.3
84.77828	0.3
157.08900	0.3
213.31557	0.3
217.73166	0.3
449.23111	0.4
450.23212	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.12818	0.5
61.98822	1.3
69.10292	2.6
69.10696	1.0
69.15180	0.6
78.95905	18.4
88.18733	0.6
90.06375	0.5
122.00126	0.8
138.92043	1.5
140.01183	5.4
144.28276	0.6
151.30357	0.6
152.99548	2.4
173.82314	0.5
196.03802	8.6
197.95747	0.8
209.66312	0.6
214.04883	1.7
255.23286	100.0
256.23642	2.7
273.84357	0.6
274.77328	0.5
289.95151	0.6
307.70450	0.6
313.18958	1.1
406.61731	0.7
452.27802	49.3
453.28110	2.3
464.45056	0.7
510.23618	26.0
511.24045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0551
Annotation	Vitexin 7-O-sulfate
Peak:m/z	Relative Intensity
59.01382	2.5
71.06406	2.5
77.03976	1.5
82.09775	1.5
83.06507	1.2
96.96007	35.5
117.03456	5.0
135.04543	1.9
161.02419	1.9
163.04008	1.4
165.01926	2.0
171.01065	1.3
239.06953	1.7
269.04510	4.2
281.04547	4.9
282.05319	4.5
283.06100	49.9
293.04541	2.5
295.06052	5.3
311.05597	74.9
312.05801	2.8
323.05450	8.3
339.04883	1.5
341.06662	23.8
353.06732	3.1
391.06937	1.3
431.09799	100.0
432.10254	2.0
434.58417	1.3
511.05707	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	511.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18008	0.8
61.98831	100.0
78.95911	2.9
104.00771	0.8
146.02509	2.8
151.39130	0.8
255.23338	5.3
256.23660	5.4
274.13983	1.2
448.24655	1.1
452.27756	1.7
453.28223	4.6
511.23944	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	513.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.8
61.98820	5.9
71.01382	2.4
80.91680	4.6
82.02945	1.8
82.95412	14.9
116.92886	1.8
117.03445	4.8
121.02998	1.8
161.02452	2.2
163.03999	2.1
239.07057	1.7
269.04599	2.2
281.04517	3.7
282.05264	3.4
283.06097	45.5
295.06052	3.4
303.19730	1.6
309.03766	1.9
311.05618	86.9
312.05957	1.6
321.20645	2.7
323.05823	8.0
333.03696	1.5
341.06653	21.1
351.03601	2.1
351.21951	2.3
393.04877	1.9
431.09805	100.0
432.10123	3.8
453.06577	7.3
476.25296	3.3
477.25995	1.7
513.27100	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	513.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
59.01379	71.1
61.98825	3.7
68.12208	0.9
69.03447	1.3
70.50979	0.9
71.01380	24.3
73.02946	43.9
82.95408	1.2
83.01389	11.5
83.05027	13.9
84.05360	1.0
85.02951	5.2
87.00858	1.0
88.98837	1.2
89.02447	9.4
94.98059	1.1
95.01373	1.1
97.02947	1.5
98.22603	2.7
99.00859	1.7
101.02448	27.0
113.02441	7.2
119.03490	3.1
135.04535	1.1
142.33188	0.8
143.03500	2.0
161.04562	4.2
185.13342	1.4
203.14420	4.2
205.74106	0.9
222.43303	1.1
247.13376	1.6
258.21887	1.0
260.30539	0.9
305.02371	0.9
351.21683	3.8
404.69458	1.0
409.18674	1.0
412.69519	1.0
427.19565	1.6
469.20764	100.0
470.21378	4.4
513.27002	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28606	27.6
59.01378	100.0
61.98866	44.3
66.71071	28.4
71.94865	28.3
73.55509	31.4
78.95874	39.5
82.26129	29.0
90.19105	27.7
96.95986	55.3
124.58761	27.8
127.65746	30.5
174.43953	29.8
178.62514	30.7
200.54700	30.7
218.79836	27.9
426.49173	32.3
513.27301	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98834	9.6
69.03453	2.2
69.31086	12.5
71.01383	24.6
73.02950	10.3
78.81718	2.2
79.14655	2.2
79.16691	2.2
83.01376	7.2
85.02936	13.7
89.02446	6.5
95.01411	3.0
96.96045	2.8
101.02441	22.3
107.90282	2.4
113.02464	13.4
119.41058	2.6
143.03558	3.4
161.04533	5.9
168.96800	2.4
187.53439	2.5
252.28247	2.6
351.21756	16.1
383.24313	20.8
409.22229	9.3
427.23355	7.9
469.24399	52.6
513.27112	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Cussovantoside A
Peak:m/z	Relative Intensity
57.83460	1.2
59.01380	54.6
61.90346	0.8
61.98822	3.8
69.27487	4.1
71.01380	8.5
73.02937	1.6
84.28156	0.9
85.02943	3.3
88.79353	0.9
89.02439	7.5
90.67391	1.0
98.21874	1.8
101.02430	4.3
103.77175	0.9
113.02438	3.9
113.11755	0.9
119.03499	3.7
167.71933	1.0
233.79135	1.1
247.20676	11.9
254.27861	0.9
286.68814	0.9
289.21793	1.1
291.19666	43.9
292.20007	1.4
300.95432	0.9
307.22696	2.4
308.43442	0.9
333.20651	14.7
351.21747	100.0
352.22162	4.5
393.22940	5.7
513.27020	51.9
514.27393	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	513.2706
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
52.42878	1.1
55.27492	0.9
59.01381	60.4
60.03050	1.0
61.98830	5.0
71.01381	15.3
71.45185	1.0
73.02947	3.3
83.01357	2.0
85.02950	4.5
85.21888	0.9
89.02443	9.0
101.02454	8.5
113.02448	8.4
113.33310	1.0
119.03490	3.3
169.49995	1.0
203.44498	1.0
247.20636	10.2
289.21780	1.7
291.19656	60.6
292.20047	3.1
333.20731	11.0
351.21750	100.0
352.21997	3.9
393.22971	8.5
453.25085	1.2
513.27045	64.7
514.27209	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	513.2705
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01863	0.7
59.01379	9.2
60.99300	0.6
61.98821	1.1
69.19927	1.4
69.20337	0.5
71.01012	0.5
71.01383	7.2
73.02940	2.0
73.18623	0.3
77.73767	0.3
81.97334	0.3
83.01392	1.2
85.02957	3.1
87.00863	0.8
89.02450	3.1
95.01397	0.7
99.00889	0.4
101.02444	6.8
113.02450	2.9
118.57790	0.3
119.03484	0.9
124.99867	0.3
131.03516	0.6
161.04591	1.0
196.35532	0.3
214.15321	0.3
245.19191	0.7
273.18750	1.9
291.19650	1.3
295.19153	0.4
315.19687	1.6
326.90298	0.3
333.20718	3.7
334.21002	0.4
351.21719	3.1
378.57355	0.3
461.78525	0.3
495.25949	1.1
513.27045	100.0
514.27411	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	513.2706
Annotation	Tricalysioside J
Peak:m/z	Relative Intensity
55.01855	1.1
55.95091	0.5
59.01381	30.3
61.98824	2.4
63.28828	0.4
70.13098	1.3
71.01383	17.9
71.05004	0.6
72.99294	0.6
73.02942	3.7
75.00867	0.5
83.01376	2.2
85.02955	7.0
87.00881	1.1
87.68452	0.5
88.98833	0.6
89.01925	0.9
89.02447	12.0
89.18978	0.5
90.02785	0.5
95.01378	1.6
99.00854	0.8
101.02447	13.3
105.98957	0.5
113.02454	5.7
119.03504	4.3
129.49850	0.5
131.03503	0.6
161.04570	1.0
179.05566	0.7
185.00883	0.5
243.74323	0.5
271.20694	1.5
289.21704	0.8
333.20645	1.7
351.21658	3.1
513.27008	100.0
514.27386	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	513.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	15.6
61.98829	17.2
71.01382	7.2
72.99311	0.7
73.02937	4.0
78.91877	0.8
82.95422	4.1
83.01391	1.1
85.02944	3.0
86.90478	0.7
87.00874	0.8
89.02434	3.7
95.01405	0.7
96.96000	2.8
101.02450	5.3
113.02423	2.4
119.03495	1.1
125.02491	1.6
131.03445	1.1
133.02931	1.4
135.04507	0.8
151.00383	1.2
161.04553	1.0
200.69600	0.9
203.14392	1.2
219.06490	1.0
288.05859	1.8
291.19611	6.2
311.05496	0.8
333.20642	4.8
351.21768	9.7
431.09598	1.4
450.11288	2.0
469.20590	4.0
513.27045	100.0
514.27319	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	513.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03424	0.2
57.54024	0.1
58.00586	0.1
59.01378	7.6
65.88157	0.1
69.03452	0.1
69.09610	0.4
71.01381	4.5
72.99274	0.1
73.02951	1.2
80.10775	0.1
81.03423	0.1
83.01366	0.6
83.05019	0.1
85.02953	1.1
85.26571	0.1
87.00872	0.5
89.02446	3.6
91.04003	0.2
94.21872	0.1
95.01373	0.3
97.02949	0.2
98.21799	0.2
99.00868	0.3
101.02441	4.4
101.74747	0.1
103.04004	0.1
113.01704	0.2
113.02448	2.0
115.03992	0.1
119.03521	0.9
125.02442	0.2
127.07639	0.2
131.03514	0.1
133.05055	0.3
143.03508	0.4
157.05077	0.2
161.04570	1.5
179.05583	0.6
182.13118	0.1
202.67155	0.1
205.19582	0.1
233.22821	0.4
235.08202	1.2
253.09280	14.8
254.09702	0.2
259.20621	0.3
275.20148	0.2
277.21716	100.0
278.22034	3.1
343.15140	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.3
57.03441	0.1
58.00565	0.1
59.01379	6.9
59.05165	0.1
69.09924	0.7
70.44419	0.1
71.01385	4.2
72.99270	0.3
73.02563	0.1
73.02943	1.1
77.40855	0.1
78.95911	0.8
83.01376	0.6
83.05025	0.2
83.36017	0.1
85.02957	0.9
87.00880	0.5
88.42588	0.1
89.02447	3.5
91.03975	0.1
95.01363	0.3
97.02938	0.2
98.21871	0.2
99.00877	0.3
101.02448	4.1
113.02459	1.9
115.04005	0.2
119.03522	0.9
125.02464	0.2
127.07645	0.2
127.61158	0.1
131.03549	0.2
133.05060	0.3
143.03473	0.3
149.04599	0.1
152.99590	1.8
157.05045	0.2
161.04576	1.7
170.66098	0.1
171.39552	0.1
179.05597	0.4
182.13173	0.2
198.25790	0.1
233.22781	0.3
235.08231	1.2
246.90326	0.1
253.09294	15.2
254.09685	0.3
259.20685	0.4
275.20206	0.3
277.21732	100.0
278.22058	2.7
372.99133	0.1
385.02304	0.1
431.21851	0.5
452.26361	0.1
455.57959	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35706	88.7
61.98824	93.3
63.41182	80.4
75.70727	85.6
82.93095	100.0
97.62827	97.7
100.14467	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.98829	100.0
62.98544	0.1
65.77204	0.1
82.95428	0.2
102.05621	0.2
128.03551	0.3
146.04607	0.1
312.06198	0.1
352.14090	0.2
432.10034	0.1
452.33286	0.1
454.17725	0.1
454.33783	0.4
514.32599	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	23.4
71.01367	28.3
71.43835	7.2
72.99297	13.2
78.55425	6.4
78.95903	36.9
85.02945	100.0
87.00872	6.9
89.02440	21.5
92.92802	27.7
93.03467	8.6
93.43227	6.0
94.92498	35.6
96.92198	20.1
96.96000	23.6
96.96953	78.4
97.61314	5.6
100.04299	6.5
101.02447	10.0
111.00890	32.1
115.00364	11.5
120.87735	5.8
129.01965	52.9
131.04602	12.0
131.08253	13.8
133.01385	10.9
151.00124	41.5
166.93643	5.8
166.97586	8.3
172.89957	57.4
173.00917	41.6
173.04587	13.2
179.05667	7.1
194.99110	7.8
216.97243	9.5
224.93434	10.1
226.93173	8.4
232.94713	17.5
261.71777	6.5
268.92218	12.1
290.90628	9.7
292.90768	7.7
308.87625	8.7
341.10727	41.5
364.83875	10.6
366.83585	12.4
382.80890	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	515.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76982	0.1
55.01872	0.3
58.98901	0.1
59.01073	0.3
59.01377	5.7
59.91463	0.1
63.19922	0.1
69.77927	0.4
69.78287	0.1
71.01017	0.2
71.01382	3.4
73.02941	0.9
78.95907	2.0
83.01384	0.5
85.02948	1.0
87.00874	0.4
89.02438	2.7
91.42207	0.1
95.01371	0.3
96.96954	0.2
97.02948	0.2
101.02443	3.5
113.02435	1.9
119.03473	0.7
125.02443	0.3
125.09748	0.2
131.03514	0.2
133.05115	0.2
143.03516	0.2
148.38451	0.1
152.99588	4.4
157.62321	0.1
161.04587	1.5
171.00584	0.2
174.95001	0.1
176.39917	0.2
179.05609	0.5
235.08243	1.1
253.09274	13.5
254.09660	0.2
261.22165	0.2
279.23276	100.0
280.23618	3.6
280.26520	0.3
311.26126	0.2
409.98016	0.2
433.23608	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	0.3
55.66901	0.1
56.81046	0.1
57.03424	0.2
58.00582	0.1
59.01378	5.6
59.01656	0.2
61.98801	0.1
69.03423	0.1
69.09393	0.5
71.01379	3.7
72.99295	0.2
73.02949	1.1
73.17934	0.1
75.00833	0.1
83.01383	0.4
83.05014	0.1
85.02940	0.9
87.00882	0.5
89.02438	2.8
91.03999	0.1
95.01363	0.2
97.02909	0.2
97.06570	0.1
98.22684	0.1
99.00863	0.2
99.04472	0.1
101.02442	3.9
103.03991	0.1
113.01712	0.1
113.02446	1.8
115.04065	0.1
119.03498	0.9
125.02399	0.1
125.09733	0.1
131.03474	0.2
133.05086	0.3
142.34477	0.1
143.03510	0.3
145.05092	0.1
149.04510	0.1
152.99580	0.1
153.90070	0.1
157.05028	0.2
161.04559	1.4
179.05568	0.5
199.01715	0.1
235.08211	1.1
253.09279	13.2
254.09537	0.2
261.22269	0.3
279.23285	100.0
280.20532	0.2
280.23611	3.5
419.26981	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	516.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
61.98830	100.0
69.28823	0.4
69.69865	1.3
71.01381	1.2
73.02944	2.7
85.02960	0.5
89.02457	0.4
98.21841	0.4
101.02429	0.5
112.98745	0.4
128.03548	0.6
155.39566	0.4
263.20163	0.4
264.20477	0.8
309.24225	0.4
310.24744	0.9
353.23370	3.0
354.23627	5.1
412.08380	0.4
516.30182	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0987
Annotation	Genistein 8-C-glucoside 6''-O-malonate
Peak:m/z	Relative Intensity
59.01112	2.7
59.01382	24.1
61.27290	1.6
62.56564	1.8
64.14088	1.7
71.01388	5.4
73.02950	2.5
77.81099	2.0
85.02940	2.1
87.00875	4.3
89.02438	6.2
93.03466	3.3
101.02427	4.5
112.98830	3.6
113.02431	3.4
116.92854	5.3
117.03476	10.2
122.89986	2.0
131.03555	2.3
133.02934	5.6
134.03740	5.3
135.04504	12.1
135.80098	2.2
149.00926	5.4
161.02385	14.8
165.01921	2.2
178.02649	2.7
179.03458	6.5
183.04466	2.4
183.08102	2.1
186.69641	2.2
191.68065	2.2
193.05077	4.3
211.07260	1.9
221.04424	2.1
239.07181	4.0
269.04489	5.9
281.04672	10.6
282.05341	5.1
283.06097	60.5
293.04489	2.7
295.06018	6.1
309.04013	2.8
311.05603	100.0
312.05823	3.1
314.03934	2.2
319.08170	3.3
321.03992	3.6
323.04904	10.9
341.06613	23.2
353.23331	2.9
354.23666	5.0
395.07654	4.7
413.08746	8.5
431.09769	4.8
473.10806	43.2
516.25568	2.1
517.13489	2.5
517.22827	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	517.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	9.7
65.72450	0.7
69.37147	3.7
71.01366	0.9
72.99290	1.2
73.02937	1.0
75.52103	0.7
82.97955	0.8
84.93862	1.1
84.99326	1.8
87.00875	8.8
96.95985	1.3
98.95537	1.1
99.92590	12.1
100.93355	14.4
103.00363	3.5
106.79694	0.7
109.02953	2.2
112.98811	24.1
115.92067	15.2
116.92862	100.0
117.92864	2.8
130.99835	2.3
133.03006	1.9
134.03670	1.1
135.04527	36.2
135.11803	6.0
137.02460	0.7
139.00368	2.1
141.61157	0.7
141.93546	0.8
142.08287	0.9
142.94414	1.6
149.00932	9.9
153.63718	0.9
159.04419	0.9
161.02422	5.3
163.03993	3.4
169.89226	0.7
179.03496	28.5
179.10773	22.0
180.03886	0.9
184.91832	1.8
191.03528	2.5
197.44763	0.7
219.02969	9.5
223.09756	27.5
231.02956	1.1
242.95956	2.5
248.90558	0.9
253.05188	1.3
293.03003	14.1
355.10330	31.4
395.08173	1.6
413.09113	4.7
431.10089	4.4
455.10349	1.8
473.11426	4.8
481.07721	1.2
517.10168	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	517.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	63.1
61.98843	18.3
61.99107	3.9
63.06956	4.3
71.46777	4.3
84.99282	4.9
87.00883	19.6
88.81316	5.1
94.11585	3.5
99.92578	7.3
100.93357	6.4
101.02471	5.0
103.25607	4.1
112.98814	74.0
115.92064	6.1
116.92862	51.2
133.02946	8.7
134.03748	4.1
135.04526	46.8
135.11803	14.8
138.11861	4.3
139.00398	6.2
149.00896	15.9
161.02429	13.6
163.03978	5.9
179.03519	27.9
179.10782	69.4
191.03372	4.6
219.02956	21.2
223.09755	100.0
293.02994	25.8
311.04056	4.8
355.10318	36.7
401.78146	4.4
413.09146	4.3
491.55307	4.0
517.09686	7.3
520.66791	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1711
Annotation	Balanophonin 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01872	2.3
56.67094	0.9
57.03445	2.1
58.00595	1.5
59.01381	100.0
61.44235	0.9
61.98828	8.0
71.01382	61.9
71.44170	1.1
72.99326	3.1
73.02951	14.6
75.00888	1.3
78.91875	1.2
83.01363	4.9
84.95107	1.3
85.02955	19.9
86.00096	2.3
87.00893	6.1
89.02444	27.1
92.69169	1.0
95.01384	5.4
99.00882	11.1
101.02448	42.1
111.00864	2.9
112.98828	3.5
113.02446	26.3
116.01172	1.9
119.03500	8.1
123.04531	3.0
129.01935	3.4
135.04530	4.1
143.03500	1.6
159.02995	2.8
160.84129	2.2
161.04552	9.7
179.03497	2.9
179.10753	2.4
190.05055	1.6
192.43613	1.0
200.13487	1.0
206.40399	1.2
219.03017	1.7
223.09789	3.5
233.06184	1.0
234.06793	1.0
238.06403	1.9
249.09247	1.2
250.06239	1.4
251.07120	3.2
253.08658	2.0
262.06366	1.8
263.07172	3.4
264.07935	2.7
265.08594	1.4
277.05051	5.0
277.08221	2.2
278.05817	3.7
279.06625	17.6
281.08279	2.2
292.07208	6.3
293.02859	1.1
293.08185	5.7
294.05875	1.2
294.08932	6.5
295.09558	2.0
299.09052	1.6
306.05304	1.6
306.08975	1.5
307.06146	18.5
307.09558	2.3
308.06589	2.8
308.10486	5.5
309.07639	2.8
309.11237	5.6
321.07654	7.8
322.08496	21.5
323.09201	7.6
324.10013	11.4
325.10587	1.6
326.08139	1.0
336.10086	3.3
337.10822	25.5
338.11539	1.8
339.12366	37.4
340.12894	1.5
351.12515	1.7
354.07449	2.4
355.10782	4.1
379.11945	1.6
381.13583	2.0
395.11545	1.8
397.12747	1.5
409.12894	1.5
439.13907	7.6
470.17770	1.2
499.16089	41.5
500.16077	2.8
502.14822	4.8
517.17169	83.9
518.17657	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	44.3
59.05166	1.8
61.98788	1.9
65.64891	1.5
69.34866	1.7
70.75445	2.4
71.01381	20.8
73.02942	10.3
79.52740	1.7
81.03429	2.0
83.01385	2.5
85.02962	7.8
89.02442	14.6
89.29290	1.6
97.02972	3.1
98.45660	1.8
101.02432	14.4
102.71121	1.7
103.04028	14.2
103.05527	2.7
108.34101	1.9
119.03496	7.4
125.02439	15.2
130.04243	20.5
131.05026	98.2
132.05312	2.5
145.05048	3.6
149.06085	100.0
163.06111	15.1
205.07034	1.8
285.61420	1.7
307.10394	23.8
313.33487	1.8
320.00439	2.0
389.16092	1.8
443.18756	1.8
517.11554	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	517.2291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
57.03450	0.8
59.01379	82.6
64.87205	0.5
70.58083	0.7
71.01382	47.0
71.06167	0.6
72.99299	0.6
73.02944	17.5
78.45229	0.6
83.01385	1.5
85.02935	4.3
89.02445	100.0
97.02940	1.5
99.00880	29.5
101.02445	39.9
113.02451	7.7
115.04011	1.2
119.03500	2.2
125.02427	3.2
128.90143	0.8
129.05548	1.6
131.03502	16.3
131.07121	1.1
139.23528	0.5
143.03450	3.6
149.04558	69.6
161.04555	4.4
168.03172	0.6
191.03928	1.0
191.05614	17.4
207.53810	0.6
221.06654	6.6
229.77060	0.6
251.07680	4.1
263.02960	0.6
275.07391	0.8
281.08554	0.7
289.54056	0.6
293.08914	2.8
311.09830	3.4
435.46997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	83.0
59.45471	1.2
62.64914	1.3
69.03462	2.4
69.26296	6.9
71.01382	56.2
73.02943	24.0
74.89722	1.4
83.01359	3.1
83.15200	1.2
85.02961	7.0
87.00883	1.5
87.72532	1.6
89.02448	100.0
95.01422	1.5
96.10353	1.4
97.02967	3.1
99.00877	32.6
101.02446	35.0
102.98582	2.7
113.02459	9.6
115.04037	3.0
119.03513	5.9
119.54243	1.2
121.70493	1.2
125.02460	12.4
131.03517	19.6
131.34738	1.4
134.58498	1.3
138.03249	2.7
143.03479	2.7
149.04561	60.5
153.05569	7.1
161.04572	3.5
163.11304	8.7
187.11214	1.5
191.05583	19.4
205.12303	19.3
225.05910	5.9
233.06645	7.4
251.07637	4.4
293.08704	5.7
311.09692	2.0
440.72632	1.6
517.22797	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62380	0.8
57.03432	0.8
58.00593	1.3
59.01379	83.2
64.01924	1.1
71.01382	50.6
72.99294	2.8
73.02944	16.6
79.58530	0.8
83.01378	1.7
85.02955	5.5
87.00867	6.9
89.02445	100.0
97.02950	1.8
98.22686	2.1
99.00880	34.0
101.02444	46.2
103.00402	1.9
109.02934	0.9
112.98808	6.8
113.02449	8.3
115.03979	2.2
119.03511	2.7
125.02437	5.1
128.03438	0.9
131.03502	19.5
132.02101	1.0
133.02953	5.9
134.03738	2.4
135.04524	23.8
143.03473	5.0
149.00923	29.9
149.04555	83.6
153.05550	1.7
155.88402	0.8
161.02457	6.8
161.04541	3.9
176.01144	0.9
177.01999	4.0
179.03484	20.7
191.05606	19.2
206.00912	2.7
219.02957	2.5
221.06616	8.3
223.06067	1.0
224.02026	12.3
225.05783	1.2
251.07690	4.1
265.07462	1.1
266.08234	13.3
267.08545	2.5
275.07651	1.1
291.05295	1.9
292.06137	8.1
293.03165	4.6
293.08762	3.5
311.04013	3.1
311.09756	2.7
356.02734	4.9
428.10971	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	517.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.6
69.11274	69.2
89.77594	10.3
97.92364	10.6
110.60730	11.9
114.00308	9.6
187.41652	11.1
223.23128	13.2
223.37532	10.2
250.29306	9.9
293.21112	57.5
319.22729	100.0
366.29282	10.6
405.59906	12.3
419.90292	10.7
517.25189	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	517.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97412	18.6
59.01363	69.3
61.98823	26.6
69.47294	77.1
69.47681	43.8
74.33836	18.6
99.50146	17.8
119.41369	19.3
138.33192	24.6
319.22644	100.0
352.91489	26.1
464.04071	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67632	0.3
55.34007	0.3
59.01381	2.2
61.98813	0.4
69.03450	1.5
69.53648	1.2
71.01378	1.1
73.02950	0.4
85.06592	23.2
87.04499	0.4
89.02470	1.6
92.18832	0.3
99.00894	0.4
101.02463	0.5
109.92548	0.3
113.02470	0.4
113.06084	0.7
116.92818	0.4
131.03508	1.0
131.07147	100.0
132.07510	0.9
135.04489	0.3
146.08269	0.5
149.04578	0.9
149.06081	0.8
160.19925	0.3
172.96707	0.5
192.97607	0.3
214.97737	0.3
217.63596	0.3
223.06261	0.4
285.89304	0.3
499.13995	1.2
518.26044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	26.9
61.98832	100.0
69.56442	3.8
71.01395	4.3
71.21819	0.8
71.36662	0.8
73.02948	5.1
83.01412	1.1
83.16041	0.9
83.79047	0.9
85.02929	1.2
89.02437	1.9
98.22652	1.9
100.81737	1.0
101.02469	5.0
109.56059	0.9
113.02443	1.1
139.73222	1.0
161.04579	2.3
246.26726	0.9
518.30524	1.8
519.31836	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	518.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	20.9
61.31984	0.8
61.98830	100.0
71.01389	4.6
73.02940	11.4
76.73525	0.7
83.01407	2.7
85.02969	1.0
89.02450	3.3
96.95431	0.7
96.96046	1.9
101.02438	8.3
111.76169	0.7
113.02467	3.1
119.03518	1.2
149.04579	1.6
161.04575	2.1
216.20343	0.8
262.81647	0.7
264.16745	0.7
297.72583	0.8
305.81500	0.8
321.68762	1.0
358.00568	0.8
371.45651	0.8
450.13568	0.8
518.30914	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.4
55.34781	0.4
57.62790	0.4
59.01379	16.9
59.14071	0.3
61.98829	100.0
69.25995	2.2
71.01380	4.2
71.65319	0.4
73.02944	9.8
82.62393	0.4
83.00945	0.5
83.01388	2.4
85.02950	0.7
87.00938	0.5
89.02464	1.3
92.86794	0.4
101.02432	6.5
112.98839	1.9
113.02467	2.7
115.12257	0.4
119.03509	0.9
128.03566	1.4
129.21095	0.4
129.32079	0.4
131.03493	0.7
135.04553	1.3
136.04924	0.5
143.03473	0.6
148.93823	0.4
149.04559	1.6
161.04568	2.4
179.03497	0.9
179.10783	0.9
180.03896	0.5
180.11134	0.7
185.69492	0.4
221.06767	0.5
223.09790	1.2
224.10150	1.2
294.03281	0.5
305.80356	0.4
328.34216	0.5
356.10635	1.2
518.29211	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	518.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31488	0.3
61.98820	1.1
69.42389	1.9
78.95905	47.7
81.38444	0.4
87.31711	0.4
96.96976	5.6
107.69600	0.4
150.98055	1.5
152.99596	100.0
153.99933	0.6
171.00662	3.2
173.50595	0.4
174.28418	0.4
206.58223	0.4
252.21555	0.4
277.21762	1.2
333.83447	0.5
333.88019	0.4
371.13040	0.5
431.22025	23.4
432.22406	0.8
518.18884	0.5
518.25421	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	518.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	3.4
71.23573	0.7
72.64865	0.8
78.95905	65.2
90.76298	0.7
95.82278	0.6
96.96978	6.1
109.77415	0.7
150.97997	2.3
152.99591	100.0
171.00670	2.5
258.75510	0.7
277.21744	1.9
431.22009	42.3
432.22247	1.0
439.81046	0.8
518.25360	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	518.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84544	0.5
61.98818	4.3
64.10070	0.6
65.31944	0.6
66.79511	0.5
69.35841	2.2
78.95905	50.8
80.27837	0.5
87.65466	0.5
93.59676	0.5
96.96961	5.7
112.79243	0.5
150.98000	1.8
152.99585	100.0
153.99921	0.7
171.00668	4.2
213.67197	0.6
215.50063	0.7
220.29086	0.5
277.21753	1.4
301.48477	0.6
314.42188	0.6
431.16010	1.3
431.21997	27.7
432.22134	0.7
496.02426	0.5
518.24976	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	518.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40381	0.8
57.03433	1.5
58.54748	0.7
59.01379	24.9
61.98832	29.4
69.63931	1.7
69.64322	2.5
71.01371	2.3
72.04552	1.0
73.02945	1.1
74.02503	0.9
84.04543	2.3
84.95115	1.4
85.02924	1.5
87.04503	1.3
89.02446	0.9
101.02438	1.8
102.05614	11.1
109.06638	0.9
112.98824	2.0
113.02453	1.4
114.09230	1.0
123.08170	1.2
123.92845	0.8
125.20547	0.8
128.03543	31.3
128.94145	0.8
135.04509	3.3
136.04842	2.0
139.11224	1.2
139.99670	0.8
146.04532	1.9
152.08501	1.0
169.12268	1.0
179.03476	2.8
179.10793	1.7
180.11198	1.4
184.65211	0.8
185.11855	1.7
198.18616	3.4
203.05646	1.2
207.13898	2.7
219.03047	1.2
223.09775	1.3
224.10094	1.2
226.18074	1.8
309.24271	1.4
311.22287	3.9
323.08716	0.8
327.21796	1.7
327.25360	10.2
329.23334	32.8
356.10739	1.6
389.25412	10.7
412.30493	2.0
414.28510	8.5
456.29437	1.5
458.21533	1.2
458.27670	2.8
500.28674	2.2
518.29657	100.0
519.29926	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	519.1145
Annotation	6-Methoxykaempferol 3-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.78325	0.2
59.01367	0.7
61.98832	1.0
62.22691	0.2
63.02410	0.3
65.00327	0.8
69.49211	0.7
71.01363	0.2
83.01383	0.6
89.02428	0.3
91.01892	0.2
101.02499	0.3
101.03959	0.6
107.01383	1.3
108.02184	0.6
133.02986	0.2
135.00912	0.3
135.04581	0.2
136.01614	0.3
139.05502	0.4
141.03448	0.2
143.05017	0.5
145.02988	1.3
147.00896	0.4
148.01671	0.4
149.00888	0.3
151.00365	5.5
151.03989	0.2
155.05037	0.8
157.02922	0.4
159.04477	0.4
161.02431	0.4
163.00372	0.6
164.01143	0.2
165.01981	0.3
167.05005	0.5
169.02931	0.5
171.04524	0.9
175.03941	0.3
178.99850	0.2
182.03667	0.3
183.04494	2.9
185.02454	1.0
187.04019	1.0
189.01848	0.3
199.04002	8.7
201.01958	1.0
203.03516	0.9
211.04007	0.8
213.01920	0.3
215.03488	2.8
216.04137	0.3
219.06502	0.3
225.01950	0.3
226.02786	0.7
227.03490	7.6
228.04076	0.3
229.01318	0.3
242.02219	2.5
243.02968	26.2
244.03603	1.9
254.02184	0.6
255.02985	19.5
256.03479	1.3
257.04590	2.2
259.06079	0.6
270.01672	2.1
271.02475	46.4
272.03168	3.9
283.02267	0.3
285.01172	0.3
285.04065	4.2
285.07135	0.2
286.04758	1.5
287.05557	1.4
299.01965	81.1
300.02710	29.4
301.03104	0.8
313.03500	0.4
314.04318	55.8
315.05093	100.0
316.05463	3.3
357.06046	0.6
357.13379	0.3
387.10721	0.2
519.11426	46.6
520.11768	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	519.1871
Annotation	Tetracentronside B
Peak:m/z	Relative Intensity
57.03442	1.5
58.00593	1.2
59.01379	100.0
61.98827	4.4
69.03432	0.8
71.01381	58.9
71.05019	0.8
72.99294	2.4
73.02940	3.1
83.01398	2.3
85.02954	9.7
87.00896	4.7
89.02444	66.2
93.03465	1.5
95.01405	4.3
98.22701	1.6
99.00867	1.2
101.02448	25.9
101.03103	1.7
102.05619	3.5
105.03486	0.8
108.01023	0.8
108.02174	7.0
109.02949	1.0
112.98811	1.1
113.02450	23.2
115.00342	1.4
119.03503	24.6
121.02948	3.8
122.03737	2.0
123.04526	7.1
125.02434	0.9
127.03925	0.7
128.03517	6.1
131.03499	3.4
133.02954	10.4
134.03677	1.2
135.04501	1.5
136.01662	55.4
137.02412	1.5
143.03519	5.0
146.04584	1.2
146.08223	2.7
149.04555	3.1
151.04005	79.6
152.04337	1.0
152.87437	0.9
159.04594	0.9
160.05284	2.8
161.02451	15.5
161.04515	7.3
162.03200	1.4
163.04080	1.1
174.03189	0.9
175.07645	1.8
177.01945	5.6
178.02678	1.4
179.03415	1.3
179.03954	1.5
179.05608	18.9
187.04037	2.9
188.04784	2.6
203.07124	8.4
211.39015	0.8
251.07153	2.0
261.05688	1.6
263.07135	1.3
272.11459	0.8
277.09003	0.9
277.12350	2.4
279.06607	3.7
291.06659	1.8
294.09116	2.2
306.09143	2.0
309.11252	5.8
321.11279	0.9
322.86188	0.9
339.08441	1.6
339.12344	19.0
342.11139	4.9
357.13428	77.7
358.13785	2.2
381.13684	1.0
439.15515	2.7
489.17499	1.0
501.17868	2.4
518.29584	1.3
519.11212	3.8
519.30975	6.8
520.31396	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	519.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76450	2.4
59.01382	74.7
69.35594	11.9
71.01385	47.3
72.40688	2.4
80.05917	2.4
84.93330	2.6
85.02954	8.2
89.02444	66.2
95.01381	4.0
96.72791	2.8
98.21914	6.2
101.02444	20.8
101.36732	2.5
113.02451	19.3
119.03510	25.4
143.03482	3.7
145.02908	3.2
161.04622	5.0
176.93758	2.5
179.05602	13.8
179.07030	2.8
239.07086	2.7
247.07541	2.8
253.08679	6.6
263.07172	16.0
281.08139	28.6
291.06641	7.0
293.08237	7.6
294.09183	2.9
308.10422	4.0
309.04105	5.1
309.07703	91.5
309.10709	3.1
310.07892	2.9
323.09174	4.7
324.10068	48.2
339.12341	100.0
357.13519	5.5
362.49255	2.5
416.23248	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	519.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54456	1.7
59.01380	64.0
59.56132	1.8
61.98828	4.2
65.16190	1.8
68.59123	2.2
69.03445	2.2
71.01383	59.0
71.46584	2.7
72.99300	6.8
73.02940	11.2
81.03468	2.4
83.01355	2.3
85.02950	7.8
87.00887	5.9
89.02450	64.4
93.69511	2.0
97.02946	4.7
101.02425	12.2
112.98808	15.6
113.02457	9.2
120.76520	1.8
125.02447	24.8
126.40089	1.8
131.03500	19.4
135.04524	17.7
143.03503	3.4
143.24141	1.9
149.00885	2.5
149.04561	33.3
161.02356	2.7
163.11374	1.9
165.09206	100.0
179.03497	6.6
181.12350	22.1
191.03787	2.0
191.05573	10.2
219.02892	4.0
225.11317	42.3
233.06599	6.2
239.81383	1.9
293.03088	6.8
293.08786	54.1
297.20743	2.8
325.56409	2.1
357.11893	17.0
361.09732	5.8
459.18634	3.2
519.08734	2.7
519.27490	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	519.2446
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
55.01875	1.6
57.03443	1.3
58.00589	1.7
59.01381	97.0
61.02937	0.4
69.03453	2.0
69.36357	0.8
69.36745	0.8
71.01384	74.3
72.01744	0.4
72.99320	2.0
73.02949	25.5
75.00884	1.2
81.03458	1.0
83.01392	4.1
85.02953	13.8
87.00885	2.7
87.04549	0.4
89.02449	100.0
95.01409	3.0
96.96008	0.5
97.02953	3.4
99.00887	29.7
99.04524	0.6
101.02449	50.7
102.02760	0.4
111.00857	0.9
113.02462	20.2
115.04013	2.8
116.05137	0.3
116.75301	0.4
119.03513	12.5
125.02460	8.9
127.04086	0.6
129.01961	0.5
131.03517	19.8
131.07176	0.9
132.94695	0.7
137.09720	0.4
137.65820	0.3
143.03502	3.7
146.23613	0.4
147.83249	0.4
149.04567	56.7
151.03966	1.0
159.03011	1.1
161.04576	10.8
166.25281	0.4
173.04562	0.6
173.09747	3.0
179.05641	4.3
189.12868	24.5
191.05606	12.8
207.13936	3.8
221.06676	2.7
233.06664	5.3
251.07706	5.5
275.07791	0.6
293.08820	5.5
311.09848	1.3
387.20245	12.8
431.18954	0.6
519.24481	73.8
520.24963	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	519.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.1
57.03450	1.7
58.00571	1.4
59.01381	100.0
61.98838	1.6
64.17407	1.1
65.13595	1.0
71.01382	36.9
71.44830	1.4
72.99319	1.4
73.02945	21.4
81.03394	1.4
81.73014	1.0
83.01385	6.7
83.97771	1.1
85.02946	12.3
87.00883	5.0
87.04525	2.1
89.02444	40.1
95.01413	2.3
97.02982	1.8
99.00896	2.0
101.02444	40.5
103.01508	1.4
103.03998	12.0
113.02439	9.9
115.04022	5.7
119.03500	16.1
125.02437	3.3
131.03516	5.5
143.03502	12.3
145.05064	4.5
149.04611	1.7
158.83171	1.1
160.84412	1.2
161.04570	3.5
163.06126	42.8
179.05672	6.3
205.07144	18.4
211.88277	1.1
265.09277	3.7
313.16534	12.1
459.22348	60.9
460.22913	2.2
521.12939	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46906	5.3
55.24453	4.0
59.01365	4.1
62.18843	4.2
71.44583	6.3
78.95897	7.2
87.50462	4.4
91.05531	7.7
96.96017	6.5
103.97311	4.5
117.03460	38.6
152.99577	6.4
162.89342	10.9
168.12335	4.1
185.02156	5.1
261.48831	5.0
279.23233	5.3
279.94864	5.8
301.21582	9.9
319.22827	100.0
341.21005	11.0
358.85663	4.8
437.26880	28.8
519.27173	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42646	1.5
59.01377	32.6
61.98830	4.0
67.81921	1.5
69.10242	12.8
71.01380	14.5
72.99304	1.6
73.02940	8.0
76.21081	1.6
77.63374	2.1
83.01385	5.2
85.02954	9.6
89.02426	2.4
95.01440	2.2
99.00874	3.3
100.88713	1.7
101.02451	16.4
111.00901	1.7
113.02442	5.9
114.23421	1.8
120.68243	1.8
162.84012	2.3
164.85379	1.7
313.27667	2.0
357.26404	4.5
519.32263	100.0
520.32574	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54748	0.7
54.28363	0.7
59.01379	100.0
60.59872	0.8
61.98830	1.0
69.15054	3.3
69.15469	1.6
71.01390	4.5
73.02958	4.1
78.95904	1.0
81.33385	0.7
83.01397	1.5
85.02940	1.3
89.02457	2.8
95.01598	0.7
101.02479	2.8
113.02469	1.0
119.03514	1.1
139.75926	0.7
152.99663	1.2
161.04604	1.4
168.90970	0.7
180.66151	0.8
227.69104	0.7
291.19791	2.2
311.28992	0.9
405.02734	0.8
519.24011	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	519.3174
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.01873	0.7
56.37177	0.5
57.03439	0.5
59.01380	15.5
61.98820	1.1
69.22411	2.3
71.01383	8.6
73.02935	2.1
83.01401	1.4
85.02941	3.3
87.00859	0.8
89.02442	2.8
95.01382	0.8
98.22627	0.7
99.00872	0.8
101.02448	5.0
113.02450	2.8
119.03474	1.0
171.78575	0.6
220.28227	0.4
297.24268	0.7
309.24316	2.3
327.25430	7.6
339.25381	9.6
340.25684	0.6
341.26981	1.7
357.26450	21.7
358.26910	0.7
455.29581	0.5
489.30481	1.0
501.30804	0.7
519.31738	100.0
520.32227	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	520.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.2
59.55383	0.3
61.98820	1.4
67.51571	0.4
69.95171	0.5
69.95519	0.8
71.01385	1.3
73.02937	0.5
76.77555	0.4
82.95399	1.0
85.02950	0.8
87.00887	0.5
89.02444	1.4
95.01392	0.4
101.02457	0.6
109.06569	0.7
113.02458	1.1
122.03741	7.9
128.03558	0.5
128.25682	0.3
133.41197	0.4
135.08165	2.0
147.03609	0.4
152.03535	100.0
153.03882	1.3
153.09218	1.2
197.08212	0.9
345.08548	0.4
359.14801	1.3
417.13199	0.6
434.70096	0.4
461.12445	0.9
521.19263	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	520.167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11336	1.0
59.01377	6.4
61.98832	100.0
62.27549	0.8
71.01379	6.4
71.94420	0.8
74.34753	0.8
89.02448	7.4
125.02426	1.7
127.87041	5.2
131.03529	1.4
144.87421	0.8
148.90930	2.3
149.04532	2.3
150.90707	1.9
159.86076	1.1
166.05066	0.8
170.54254	0.9
186.88324	0.9
191.05663	1.0
293.08875	6.2
359.94669	0.8
393.23480	0.9
482.06476	2.7
484.06339	3.6
520.03772	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	520.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53315	3.5
59.01377	73.2
60.00900	9.4
61.98819	14.1
69.03457	5.6
70.87899	5.2
71.01376	74.3
73.91059	3.6
81.03444	9.6
84.46808	3.4
85.02956	9.5
89.01932	6.3
89.02446	85.8
97.02946	6.6
101.02454	19.4
103.53947	3.5
111.51427	3.7
113.02451	13.9
116.92793	4.0
120.00983	4.1
125.02448	34.0
128.02820	3.6
131.03519	16.4
134.97624	3.7
149.04581	24.3
151.02899	4.5
151.03954	23.0
152.04375	8.1
166.05156	20.6
169.01416	9.2
191.05591	11.3
207.25159	3.5
233.06725	10.7
293.08755	100.0
314.18964	4.1
353.47769	4.1
359.14737	6.2
469.63800	4.3
473.29358	4.4
504.38443	3.8
520.23633	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	520.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97575	0.7
55.76096	0.6
59.01380	27.0
61.98831	100.0
65.22912	0.9
71.01379	2.3
73.02944	2.7
73.04073	1.3
83.01397	1.0
85.02966	1.4
87.00873	0.9
87.62275	0.7
89.02441	2.7
101.02451	2.8
103.36703	0.8
113.02479	1.2
115.05075	1.0
119.03502	1.6
128.03537	4.8
129.03917	1.2
129.84395	0.7
134.03784	1.8
146.04626	1.1
149.06070	1.3
161.02440	1.8
161.04590	0.9
173.97534	0.8
177.04291	1.7
192.06679	3.6
193.07060	1.7
215.12755	1.0
238.87424	0.8
290.10379	2.1
291.10544	1.1
357.13321	0.8
391.26013	1.0
484.17780	1.6
490.23465	1.2
519.29938	3.1
520.11414	1.7
520.23798	3.2
520.30524	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	520.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43992	0.6
57.00700	0.5
59.01381	54.2
60.08308	0.6
61.98830	100.0
65.83404	0.6
69.24868	2.1
71.01378	5.1
72.15292	0.6
73.02965	1.7
83.01393	0.6
85.02950	2.7
89.02462	1.1
91.45930	0.6
98.22638	1.0
101.02454	4.4
113.02449	3.0
115.79474	0.5
116.92833	0.8
141.70456	0.6
160.84222	9.4
161.04561	1.5
171.10338	0.8
287.16721	0.8
317.20013	0.6
353.19681	4.0
371.20728	7.8
413.21808	11.5
520.22925	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.51115	0.2
62.96398	0.2
70.51511	0.5
78.95903	47.3
88.98812	0.6
96.96967	5.9
102.45522	0.2
111.85030	0.2
126.70822	0.2
138.20172	0.2
150.98033	1.6
152.99586	100.0
153.99887	0.8
171.00641	4.0
202.12915	0.3
224.57521	0.2
225.56766	0.3
246.45479	0.2
277.66373	0.2
279.23401	1.2
433.23599	24.1
434.23984	0.8
504.56900	0.3
520.26813	6.8
521.27277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25078	0.3
69.13151	1.9
78.95904	44.1
79.79558	0.3
88.98789	0.3
96.96967	6.8
124.65334	0.3
150.98027	1.5
152.99588	100.0
154.00029	0.3
171.00650	3.7
279.23276	1.1
284.86896	0.3
371.15207	0.3
431.21710	0.3
433.23587	28.1
434.23984	0.8
507.94745	0.3
519.64099	0.3
520.26807	8.5
521.27502	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80438	20.3
69.22840	100.0
78.95903	24.5
94.86842	19.6
152.99612	38.7
162.06876	31.2
202.09888	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	520.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50724	1.8
61.98828	100.0
68.41463	2.0
69.25403	3.0
69.25809	8.6
98.22601	4.1
113.41276	2.0
124.69349	2.2
142.87624	1.7
231.00348	2.0
500.36853	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05140	0.7
59.01377	6.0
60.99014	1.1
60.99306	13.2
69.40841	3.0
71.01385	3.8
72.99300	2.5
83.01421	0.8
85.02945	1.8
88.98807	100.0
89.02448	2.9
96.96034	1.2
101.02449	2.3
112.98811	1.4
113.02512	4.1
113.03137	0.8
119.03532	1.1
135.04506	1.0
147.38213	0.7
153.09219	1.7
178.06227	0.8
179.03542	1.2
193.04967	0.8
197.08186	1.4
217.28429	0.7
235.18745	0.8
244.60786	0.7
281.04443	1.2
282.05542	0.9
283.06085	5.3
311.05685	8.2
311.09137	1.1
313.10876	1.1
323.05484	0.9
341.06580	3.2
344.12457	1.2
359.15027	6.5
431.09723	13.2
521.20099	12.1
522.21216	0.8
540.37427	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.5
59.01376	1.1
61.98830	1.9
65.00320	0.6
69.31848	1.7
71.01387	0.7
74.30251	0.3
74.38696	0.3
81.03460	9.0
83.01383	2.8
93.03460	4.5
94.17680	0.3
95.05045	0.9
97.02984	0.4
99.04471	0.3
107.01434	0.6
107.05053	0.3
111.04527	0.4
119.05026	11.7
123.04525	24.9
125.02444	9.6
131.09897	0.3
135.04539	1.6
137.02457	0.9
139.04085	0.4
149.02454	1.1
151.00401	1.7
151.04047	0.9
152.01111	0.5
163.04056	1.5
165.05580	0.5
166.02725	1.0
167.03493	71.9
168.03877	0.8
175.00307	0.7
179.03485	5.7
181.05109	2.4
187.07654	0.6
189.05569	1.9
191.03508	8.2
192.03934	0.3
193.04987	0.4
203.03455	1.1
209.04503	4.3
221.04575	1.9
224.99068	0.3
229.08723	1.0
233.04562	0.4
257.73611	0.3
273.07678	100.0
274.08069	1.9
297.07681	16.7
298.07965	0.6
315.08743	4.0
327.08759	1.9
339.08743	0.4
459.12869	0.6
477.14005	13.7
478.14621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
55.92566	2.9
56.08418	2.9
59.01380	56.1
67.58678	2.9
69.03452	5.8
71.01385	59.3
73.02940	4.7
74.27702	2.9
81.03479	2.9
83.01421	5.2
85.02951	6.3
86.03187	3.0
86.82499	2.8
89.02441	59.4
94.81519	2.9
97.02969	7.5
100.53337	3.3
101.02438	9.5
107.05034	11.2
113.02484	6.3
120.85334	3.7
125.02460	23.5
131.03525	13.9
135.04538	61.1
149.04552	20.5
154.61621	3.1
154.62875	3.8
163.22438	4.0
179.61418	3.3
191.05594	9.4
193.49162	3.4
225.25041	3.4
225.52280	3.5
233.06642	4.0
293.08792	100.0
294.09192	3.9
429.13834	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	521.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.4
59.01080	2.9
59.01379	56.2
69.03461	3.2
70.55979	1.8
71.01381	57.1
73.02947	4.6
81.03464	2.3
83.01395	5.1
85.02969	7.9
87.00893	2.9
89.02444	57.2
95.01408	2.1
97.02945	7.6
99.00969	1.8
101.02454	12.1
105.22916	1.3
107.05037	14.2
113.02440	7.9
119.03508	2.0
125.02460	20.4
131.03490	14.3
135.04532	61.4
143.03484	1.6
149.04552	23.9
151.03000	1.5
179.05647	1.6
191.05685	9.2
233.06657	4.1
281.22943	1.5
287.88055	1.5
293.08789	100.0
294.09341	1.8
408.33188	1.6
429.14160	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	521.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	1.3
59.01378	14.7
64.05421	1.0
69.65012	2.7
71.01376	9.1
73.02940	1.8
82.56036	0.9
85.02927	2.4
87.00878	1.8
89.02453	8.5
95.01424	1.4
97.02922	1.2
99.04546	2.2
101.02453	4.7
107.08648	1.3
112.98837	1.3
113.02457	6.6
119.03503	2.4
120.01213	1.1
125.02378	0.9
133.10263	1.9
135.04471	2.1
135.08212	2.4
136.04854	0.9
136.28574	0.9
149.04527	2.2
151.11151	1.0
153.09216	78.9
154.09624	1.3
157.86620	0.9
161.04564	1.6
167.10706	1.0
175.87891	1.1
177.09198	2.1
179.03535	1.2
193.05016	1.0
195.10211	1.7
197.08189	100.0
198.08513	1.3
232.32558	0.9
239.09172	1.2
266.80499	1.0
269.10364	1.0
299.11319	2.0
305.90622	1.0
310.53040	1.0
324.01202	1.1
359.13504	28.7
521.25208	3.8
537.33740	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78480	1.0
55.01880	2.0
58.00604	1.1
59.01379	100.0
69.30646	5.7
71.01382	50.4
72.99283	1.3
73.02928	1.8
79.90131	1.3
83.01392	1.3
85.02936	7.5
87.00870	1.8
89.02444	63.5
95.01388	3.2
95.08538	1.1
101.02445	25.4
108.02203	1.3
109.02950	1.7
113.01714	1.2
113.02448	20.5
119.03504	27.4
121.02948	2.3
131.03499	3.1
143.03500	4.5
149.04515	2.5
150.03186	1.2
151.03999	1.2
159.04504	2.3
160.05290	5.0
161.04547	4.9
164.37891	1.1
166.64610	1.1
172.05389	2.7
173.06114	1.9
175.07634	1.8
179.05623	13.9
189.05559	6.7
190.06299	7.5
205.08704	3.8
281.08319	1.9
295.09610	1.8
296.10449	3.2
301.95721	1.1
311.12729	3.8
341.14008	18.1
359.14191	1.4
390.54803	1.2
513.27649	1.2
521.19916	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2029
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01380	31.7
65.36000	2.1
69.62256	8.2
70.96567	2.4
71.01380	19.9
73.02937	4.9
80.64729	1.9
85.02950	9.0
85.03432	2.1
89.02444	9.6
101.02455	10.9
109.02963	7.2
113.02428	3.8
119.03508	3.7
147.04538	2.2
158.03728	2.4
159.04529	9.7
160.05318	19.1
161.04750	2.4
161.06105	7.5
173.06079	4.2
175.07610	13.7
177.05635	4.3
178.06415	6.4
189.05585	2.2
192.07864	4.1
241.05032	6.6
255.06552	2.4
262.43188	2.3
295.09756	3.6
299.09225	2.6
311.09235	5.1
313.10681	6.6
329.10773	2.5
329.13937	69.4
330.14182	2.7
341.13855	2.6
344.12646	19.4
359.10837	4.0
359.15024	55.4
481.56537	2.4
521.20282	100.0
522.20593	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36560	0.6
57.03479	0.6
58.85320	0.6
59.01379	19.2
60.99297	1.0
61.98829	1.3
71.01378	13.7
73.02949	3.4
83.01395	1.5
85.02942	2.3
87.00896	2.1
88.98796	4.4
89.02444	18.4
95.01369	0.9
96.96029	1.2
101.02441	9.3
111.00873	0.7
113.02448	3.1
119.03500	1.2
121.02942	2.9
122.03762	1.8
124.01711	1.6
125.02445	4.6
131.03484	6.3
134.03751	0.7
135.04512	1.0
136.05240	0.8
147.04506	1.4
149.02477	1.5
149.04562	15.9
149.09659	0.9
150.03188	2.6
151.00400	0.9
152.01143	2.3
153.09219	1.1
158.03760	2.4
159.04507	8.9
160.05295	28.2
161.04639	1.1
161.06052	6.2
163.04034	1.9
164.04810	3.6
173.06087	2.5
174.06827	2.3
175.07642	22.5
176.04816	0.8
177.05571	3.9
178.06346	12.4
178.99878	1.4
179.87454	0.6
191.05624	3.9
192.07933	6.9
193.08681	3.4
255.02951	1.1
257.04193	0.7
271.02524	1.5
289.07120	3.7
298.04453	0.7
299.05688	0.8
300.02698	3.0
301.03452	1.4
311.09439	0.7
314.11517	1.0
317.06671	2.6
329.13931	100.0
330.14365	3.3
341.06693	1.0
359.14960	5.2
419.05734	0.7
439.03433	0.8
461.10876	0.7
461.20255	7.4
463.08780	3.8
521.13037	7.0
521.19495	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54969	1.6
52.98024	1.7
59.01379	94.0
61.98835	2.3
69.00945	4.1
70.32114	1.4
71.01380	59.1
72.99321	2.1
73.02944	12.7
82.95369	1.9
83.01395	3.1
85.02956	8.3
87.00877	4.4
89.02442	100.0
101.02438	44.2
113.02471	12.1
116.41458	1.7
119.03493	6.8
125.02419	2.8
131.03506	40.0
149.04555	97.8
149.09695	3.8
160.05254	7.1
161.06125	1.6
162.02594	1.6
163.99057	1.4
175.07623	6.9
177.05557	1.8
191.05598	21.1
192.07796	1.8
251.07732	2.1
298.04889	3.5
311.09808	3.6
329.13916	27.7
341.06467	2.9
424.68646	1.6
439.03522	1.9
461.10431	4.4
461.20294	36.6
462.20483	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24933	1.7
55.59641	2.0
59.01381	78.1
61.98829	5.2
65.03628	2.1
69.03465	2.9
69.87633	6.4
71.01021	3.2
71.01383	59.6
73.02960	9.8
81.03454	2.1
82.30138	1.9
85.02958	6.1
87.00879	6.0
89.02445	90.8
90.34757	2.3
97.02951	4.7
101.02437	25.1
113.02458	9.9
119.03506	2.4
120.01238	3.4
125.01748	1.8
125.02471	17.8
131.03506	27.9
149.04567	45.1
167.10771	100.0
191.05630	7.3
198.04436	1.9
233.06601	2.6
293.08792	66.1
323.09766	2.1
471.08954	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91857	1.4
51.10752	1.5
52.00882	1.6
59.01379	100.0
61.98833	16.1
69.17900	4.2
69.18316	6.4
71.01379	11.3
73.02934	6.7
83.01374	2.6
84.30686	1.5
85.02953	8.0
86.00087	1.6
87.00855	1.5
89.02433	2.6
101.02444	16.7
110.02177	1.5
113.02459	5.0
132.36497	1.9
135.04521	2.4
137.63063	1.7
139.61371	1.8
140.66725	1.6
161.04543	2.1
162.00693	1.7
186.60083	1.9
359.27676	3.1
386.33908	1.7
490.88870	1.8
494.73712	1.8
521.33783	84.6
522.34741	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	521.2889
Annotation	schiprolactone A
Peak:m/z	Relative Intensity
51.96960	15.4
59.01383	59.7
61.98830	29.2
69.18795	100.0
71.01382	45.1
84.85583	14.8
89.02452	23.3
112.84290	16.1
113.02442	21.6
141.28180	17.4
217.54515	17.6
286.02225	22.3
521.28754	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93350	4.8
58.00830	4.2
59.01381	100.0
61.98824	20.1
62.63359	4.4
64.39690	4.7
65.39246	4.7
69.03451	5.2
69.43900	12.1
69.44299	8.3
71.01385	74.8
73.02945	15.8
85.02940	17.5
87.00849	4.3
89.02453	66.6
99.67682	4.5
101.02438	32.0
113.02458	20.6
114.82914	4.9
119.03490	6.0
125.02462	21.8
131.03494	19.2
149.04562	28.5
167.10780	55.7
191.05641	10.0
199.93330	4.8
233.06720	6.3
234.12601	5.0
255.75473	4.7
293.08795	47.7
417.79898	4.8
427.95972	6.2
521.27692	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42732	2.0
55.37575	2.4
57.28555	2.4
58.07413	2.0
62.56421	2.0
64.95905	2.1
66.89787	2.3
67.79814	1.9
69.14321	7.2
69.14742	6.8
71.60899	2.0
98.21880	5.1
105.03471	7.3
107.41532	2.2
112.94434	2.3
133.02957	36.9
134.03699	10.9
141.70132	2.4
160.01648	16.7
161.02431	18.3
167.78958	2.4
175.04013	53.1
177.01999	2.7
183.94142	2.2
187.94643	2.1
193.05110	5.0
271.22937	5.4
345.20673	4.6
385.60379	2.2
415.24698	6.3
429.26370	16.4
433.26022	4.6
447.27509	31.6
506.29208	3.0
521.31207	100.0
522.31384	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01691	0.6
61.98829	2.3
71.01381	4.5
71.43745	0.7
73.02953	4.1
76.93102	0.6
78.91879	0.6
83.01380	1.0
85.02978	1.1
87.00369	0.6
89.02463	3.9
96.96014	6.9
96.96592	0.5
101.02443	3.8
112.98838	0.8
113.02469	2.2
119.03504	1.0
121.02975	1.5
135.04527	1.0
160.32321	0.5
179.03517	1.1
227.16612	0.7
262.48639	0.6
293.03201	0.8
323.18549	0.7
359.16928	0.8
440.98920	1.2
485.01233	1.5
521.26288	0.7
521.33282	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51741	1.1
55.01869	1.4
59.01378	39.5
61.98826	3.1
69.18786	6.2
71.01382	10.4
73.02941	3.1
74.17128	1.1
79.63749	1.0
81.97049	0.9
83.01389	1.4
85.02934	4.8
89.02441	4.3
101.02452	7.4
113.02448	2.3
125.09715	1.0
161.23077	1.1
313.23788	2.4
341.26962	7.2
359.27988	15.2
461.30399	1.3
468.87839	1.2
521.33350	100.0
522.33679	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	522.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01332	0.3
61.98830	100.0
65.40707	0.3
71.30337	0.5
88.54857	0.4
97.53706	0.4
120.99644	0.7
135.04561	0.5
191.42500	0.4
238.06413	3.2
239.07167	2.3
266.08224	13.5
266.11066	0.7
267.08975	5.4
429.14276	17.4
430.14539	0.7
468.74112	0.4
492.14124	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39595	1.7
61.98812	1.6
65.48265	1.7
70.89922	2.5
71.01407	1.8
71.84945	1.6
72.73315	1.9
100.88347	1.7
120.01260	100.0
134.03717	2.5
153.40825	1.7
178.02705	1.8
190.77675	1.8
192.04352	2.8
220.09917	1.7
241.05475	2.1
250.10892	1.5
275.51373	1.8
293.36246	1.5
401.12296	1.9
527.96503	1.7
534.52173	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	522.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59732	1.3
59.01379	2.2
61.36712	1.2
61.98827	3.1
64.97612	1.2
70.85639	2.3
71.01394	1.5
79.25851	1.2
120.01257	100.0
169.58766	1.3
325.19547	1.5
481.42813	1.5
519.78949	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44633	0.4
59.01389	1.1
61.98830	100.0
63.22356	0.5
75.00866	0.9
82.41132	0.5
89.06361	0.6
96.96049	0.6
111.12379	0.5
113.38704	0.5
118.95128	0.5
135.04538	0.8
163.09587	0.5
186.59558	0.5
201.11479	0.9
237.61015	0.6
311.04291	0.5
325.20175	0.8
482.46329	0.7
494.44705	0.5
522.25134	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	522.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05856	2.1
53.25519	2.3
67.71461	2.2
75.83205	2.4
78.95930	3.6
83.30044	2.4
99.92591	36.8
100.93410	3.0
115.92067	5.4
118.89985	58.8
125.09731	16.5
135.90292	4.0
137.54015	2.2
138.07623	3.0
176.40257	2.1
180.60725	2.3
187.09741	6.8
243.12286	2.9
261.13437	5.7
277.21594	8.2
278.21985	5.1
384.13913	7.9
420.11502	5.1
486.20663	5.9
522.18433	100.0
522.35321	3.6
523.18274	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	522.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	5.1
61.98818	4.2
64.88699	2.0
70.85303	2.3
71.99606	1.9
78.95911	8.8
88.37341	2.0
121.02978	2.1
122.03821	3.0
134.76329	2.1
136.05243	2.5
140.01250	4.3
152.03096	1.9
160.84216	2.8
167.14412	7.5
193.16019	3.1
196.03781	2.7
214.04959	6.3
224.56396	2.1
249.18599	32.7
275.16605	19.7
279.16959	2.1
281.21259	5.4
293.17572	69.2
307.19171	3.7
318.21591	3.7
319.36417	2.3
325.20203	100.0
522.24609	36.6
522.32172	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	523.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81781	1.0
52.81028	0.9
53.04508	1.0
59.01377	2.4
61.98839	2.2
71.09627	1.5
74.73579	1.2
81.02025	1.0
83.87233	1.4
112.98830	1.0
119.05034	1.4
120.99660	100.0
126.49760	1.1
134.03749	1.3
145.02982	4.2
163.04039	1.1
176.29779	1.0
177.01872	2.0
180.04169	1.3
180.99611	1.9
181.03261	1.2
191.03493	1.9
192.04353	1.5
192.99644	2.2
193.03311	3.2
195.01009	1.3
195.06734	2.0
196.01971	2.4
199.34587	1.5
211.04321	6.3
223.06079	2.1
225.02257	3.8
226.02966	3.8
283.10971	1.3
299.05930	1.7
435.11227	2.0
446.26151	1.3
523.34528	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	523.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.0
61.98829	100.0
67.20910	0.2
71.01386	1.2
71.05363	0.3
82.22858	0.3
84.52124	0.2
87.00857	1.3
89.02444	0.6
95.05025	0.2
101.02467	0.3
112.98837	0.6
119.05044	0.6
120.01298	0.4
121.02859	0.2
125.02489	0.7
133.02988	0.7
134.03804	0.4
135.04533	2.3
137.02516	0.4
149.00929	0.6
149.04561	0.3
161.02470	2.0
163.04102	0.4
175.04059	0.4
179.03542	1.7
183.16766	0.3
214.92635	0.3
277.03662	0.4
295.09454	0.3
343.59671	0.3
450.08847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	20.9
60.41506	1.5
61.98823	3.0
63.65229	1.5
69.67400	5.4
71.01368	2.9
77.88506	1.8
87.44647	1.7
98.03344	1.6
100.65588	1.7
101.02455	2.1
120.99664	100.0
137.89395	1.7
217.00288	2.0
275.20212	12.3
279.17090	1.6
319.19162	31.0
319.22614	2.7
348.10428	1.7
463.26834	2.4
481.28171	4.5
502.21133	1.7
523.29053	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	74.3
61.33985	1.5
61.98833	22.1
69.25255	4.5
69.25640	3.6
69.85202	1.5
71.01380	56.7
73.02948	9.0
81.03474	2.2
83.01384	1.9
83.84525	1.6
85.02943	7.3
87.00894	4.1
89.02444	72.3
95.01328	1.7
97.02975	3.9
101.02434	20.7
111.00854	2.1
113.02454	9.2
119.03542	4.8
125.02450	16.1
127.51543	1.9
131.03502	24.5
149.04552	37.7
169.12334	100.0
191.05598	9.6
210.14276	1.7
233.06580	2.9
293.08789	48.9
370.60760	1.7
463.21765	5.0
503.19913	1.9
523.25256	5.2
540.24359	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	523.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98822	100.0
80.68162	47.6
113.19595	46.7
169.33237	49.5
377.87970	60.6
409.87213	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2912
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
55.01869	1.1
57.03449	0.7
58.00588	0.6
59.01381	68.6
60.01706	0.4
61.98820	0.2
69.03464	0.6
70.57378	0.3
71.01382	23.4
72.69291	0.2
72.99320	0.4
73.02947	20.4
75.00882	0.3
78.95916	0.3
83.01392	5.0
83.01893	0.3
83.34267	0.2
85.02953	6.5
87.00872	1.3
89.02448	13.9
95.01391	2.4
97.02959	0.5
99.00913	0.9
101.02447	19.4
102.02782	0.2
104.65605	0.2
113.02452	10.5
119.03510	5.7
125.02450	0.7
131.03500	0.9
143.03535	1.1
149.04555	0.8
152.99535	0.3
155.03551	0.3
161.04561	1.9
179.05598	0.6
301.21722	3.1
319.22757	0.4
340.27911	0.2
375.67615	0.2
463.21024	0.3
463.27087	3.7
464.26743	0.2
481.28076	3.6
482.27789	0.2
523.29126	100.0
524.21484	0.3
524.29443	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.7
59.01377	6.2
60.01103	0.4
61.60019	0.4
61.98820	0.6
69.03455	9.2
69.81401	1.2
71.01384	1.2
71.05013	0.8
73.02925	1.3
83.88885	0.4
85.02937	0.4
87.62361	0.4
89.02407	0.4
98.22668	0.5
101.02438	1.1
112.28537	0.4
113.02447	0.7
120.47775	0.4
124.52422	0.4
143.03503	0.4
155.78452	0.4
220.09253	0.4
233.93217	0.4
247.20676	4.9
259.20581	1.1
275.23636	0.4
297.80832	0.4
319.22757	100.0
320.23154	3.5
324.72922	0.5
361.23660	0.5
455.42181	0.4
463.26880	0.6
481.28351	0.9
523.29126	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	523.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27668	0.3
59.01370	2.5
61.98806	0.5
71.01382	0.7
73.02933	0.6
78.49986	0.3
83.01400	0.4
89.83806	0.3
121.63582	0.3
162.53569	0.3
182.32214	0.3
240.64452	0.3
301.21515	0.5
311.48767	0.3
319.22763	100.0
320.23056	3.2
330.14471	0.3
433.19312	0.4
456.99564	0.3
523.29102	1.5
543.88116	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2911
Annotation	Carthamosterone B
Peak:m/z	Relative Intensity
57.03433	0.7
59.01378	57.3
61.98820	2.1
65.98253	0.7
69.03456	0.8
69.15896	3.9
69.16300	1.2
71.01381	19.2
72.99317	1.0
73.02943	16.2
83.01368	4.3
85.02937	6.8
87.00890	1.0
88.73611	0.7
89.02438	12.3
95.01365	1.8
99.00867	1.1
101.02433	16.2
113.02438	9.7
119.03526	3.5
125.02431	0.9
149.04608	0.7
161.04532	1.9
168.17104	0.7
174.41597	0.7
205.71652	0.8
211.72581	0.7
288.19504	0.8
301.21753	3.0
463.26788	5.7
467.46118	0.9
481.28336	3.7
523.29120	100.0
524.29419	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	523.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45258	0.6
59.01379	100.0
60.01714	0.8
61.98830	10.2
66.15714	0.5
69.21429	0.5
71.01375	2.8
73.02940	1.0
83.01408	0.8
85.02962	1.6
89.92512	0.5
101.02457	2.9
113.02454	1.4
115.13798	0.6
120.99657	51.8
121.99962	0.6
126.64179	0.6
160.84216	0.7
162.83957	1.2
164.11800	0.5
172.61829	0.6
184.95091	0.7
224.91878	0.7
275.20023	2.6
284.60098	0.6
319.19162	6.7
319.22626	0.8
402.23688	0.5
463.27350	1.0
481.32724	1.4
505.09634	0.6
523.29437	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	523.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.6
57.03443	3.1
59.01378	15.7
59.99129	0.4
61.98827	10.0
65.29978	0.4
69.03439	0.4
69.11365	2.3
71.01379	17.8
72.99284	0.9
73.02947	10.2
73.03352	0.7
75.00866	0.5
75.29073	0.4
79.85931	0.4
82.95418	13.6
83.01386	5.4
85.02948	13.5
86.00079	0.4
87.00868	1.3
87.04508	1.0
89.02449	1.6
95.01390	1.6
97.02988	0.5
98.22623	0.9
99.00890	3.5
101.01787	0.9
101.02441	15.9
109.06566	0.5
111.00872	4.0
113.02454	7.3
123.07233	0.4
123.08150	0.9
125.02368	0.5
129.01964	0.9
131.14120	0.4
141.09230	0.6
141.12833	0.9
143.03381	0.5
143.10768	0.6
153.09247	1.1
159.02972	1.7
161.04584	2.3
163.04056	0.7
164.44571	0.4
166.94467	0.4
169.12331	0.6
171.13860	2.0
178.06319	0.8
187.13396	1.3
193.08685	0.8
201.14960	2.0
275.09030	0.6
315.25357	0.9
359.27933	2.0
361.29584	13.7
362.29547	0.4
365.17780	0.5
460.27017	2.6
521.33289	0.5
523.34863	100.0
524.35150	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	524.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	13.1
61.98832	66.7
70.67474	5.0
71.01369	3.2
71.48726	2.2
85.42738	2.5
89.02424	3.2
133.38928	2.5
134.03728	3.6
135.04457	2.6
176.23148	2.3
245.15506	3.2
255.02979	2.9
297.03943	8.0
298.04831	54.5
299.05331	5.4
302.38910	2.5
309.03812	2.7
311.05811	3.9
313.06885	3.3
326.04337	4.7
341.06680	53.0
345.17123	3.6
353.06754	3.6
363.18240	15.9
371.07785	21.4
405.19241	9.5
461.10904	100.0
462.10745	3.7
525.23761	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	524.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74983	0.6
61.98830	100.0
76.23195	0.6
79.93500	0.6
125.63053	0.7
135.04578	0.8
255.03119	2.3
283.02533	1.4
446.08853	0.8
461.10910	5.7
492.17923	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.7
61.98829	100.0
67.68966	0.2
69.92592	0.8
71.01391	0.4
84.46449	0.2
89.02472	0.4
101.02515	0.2
106.76074	0.2
125.99063	0.2
135.04468	0.4
136.04869	0.4
294.09262	0.2
295.09375	0.3
349.16177	0.2
349.21170	0.2
438.65671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	4.5
69.53420	2.3
69.53816	2.0
71.01381	9.0
71.05020	7.7
75.00877	1.8
75.48638	1.0
77.81556	0.8
83.01380	3.6
85.09940	1.0
85.51881	0.9
88.04041	75.4
98.21926	2.0
98.28802	0.9
99.04513	3.0
109.02978	1.6
116.07182	1.5
123.04527	1.7
125.02460	4.7
128.77599	0.8
131.60828	1.0
135.04472	1.0
146.07083	1.7
146.08238	35.5
147.08405	1.0
149.00974	1.2
151.00381	7.5
151.04042	2.4
153.01938	59.6
161.02350	1.6
179.03497	1.4
218.10336	100.0
219.10789	1.0
275.22992	1.1
326.35565	1.1
387.64731	1.1
466.96490	1.1
533.37756	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11569	0.4
54.30924	0.3
59.01376	2.5
61.39065	0.5
61.98829	100.0
69.55933	1.1
69.56351	0.7
71.01375	0.6
73.02914	0.5
77.03978	0.4
81.40286	0.4
98.21870	0.7
114.17880	0.4
135.04488	0.4
157.30354	0.4
168.11057	0.5
180.20711	0.4
219.84537	0.5
226.68732	0.4
290.05518	0.4
524.26196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82076	11.8
59.01378	65.4
59.50852	9.1
61.98818	19.5
67.56119	8.9
69.03453	13.7
69.51180	38.9
71.01383	21.7
72.46593	8.4
98.22568	15.2
113.02406	16.4
157.55850	10.3
167.05533	10.1
185.75775	9.8
319.22723	100.0
320.23233	50.8
524.29834	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	525.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48553	45.9
58.59990	44.3
59.01381	71.7
70.50756	82.0
78.95908	52.1
83.13544	35.0
89.02448	40.0
109.50518	35.8
112.90292	42.0
120.99654	100.0
122.99242	73.0
129.07436	41.7
153.18962	38.5
206.05151	36.8
274.18646	44.1
347.83514	43.1
525.26709	79.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39081	2.0
55.01906	1.8
57.03459	2.8
59.01383	68.1
61.98833	4.9
65.71657	1.8
69.39120	6.2
69.39532	3.6
71.01384	46.8
72.99312	1.9
73.02955	24.5
83.01401	11.3
85.02953	25.5
89.02454	6.8
95.01344	4.1
97.02953	3.5
99.00879	7.2
101.02451	43.5
103.04021	5.4
113.02470	19.9
119.03519	2.1
125.02469	6.8
129.01970	2.4
142.61719	1.8
145.05087	2.1
151.39273	1.8
157.06590	17.5
159.02985	3.0
161.04573	26.4
163.06181	2.5
197.11801	3.0
227.69249	2.4
239.26759	2.2
247.08191	3.1
289.18088	3.3
319.08218	1.6
319.11847	49.6
413.88013	2.5
465.17673	100.0
466.18008	6.5
549.67706	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	525.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.6
59.01376	20.7
61.98840	2.5
68.80213	0.6
71.01382	10.5
73.02972	0.7
79.34992	0.5
85.02969	2.3
87.00877	1.0
89.02442	10.1
89.02940	0.8
94.05808	0.5
95.01400	1.1
96.96039	1.6
101.02437	4.8
113.02460	5.2
119.03472	3.4
119.05093	0.6
125.02488	0.6
131.03549	1.1
133.66548	0.5
135.04596	1.1
147.02394	0.6
161.04512	1.4
161.09827	0.7
179.05630	2.8
194.00275	0.5
215.14400	2.2
215.80020	0.6
241.15965	0.9
243.13972	0.7
245.15443	13.9
255.02962	1.0
260.85614	0.6
269.15390	0.6
271.02567	2.0
271.17017	9.2
273.18597	2.2
275.20175	3.1
283.16968	1.4
289.14429	0.8
299.05289	0.8
300.02652	4.7
301.03561	2.0
301.18073	14.4
317.17557	1.3
317.42831	0.6
319.19116	12.9
342.07141	0.8
345.17035	27.5
346.17395	0.6
354.29715	0.5
363.18121	100.0
364.18460	3.2
405.19186	35.5
406.19452	1.5
462.10864	0.9
463.08691	5.7
465.23270	3.0
525.23383	31.4
526.24011	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2339
Annotation	1-Hydroxy-2,7,9-trideacetylbaccatin I
Peak:m/z	Relative Intensity
55.01864	0.5
57.03439	0.4
58.00584	0.4
59.01379	29.8
61.98830	5.6
69.67240	0.4
69.67622	0.7
70.65475	0.2
71.01383	13.3
72.99315	0.4
73.02940	1.0
75.42775	0.2
82.47242	0.2
83.01383	0.4
83.05047	0.3
85.02946	3.5
87.00877	0.4
89.02444	9.9
95.01376	1.1
99.00864	0.3
101.02449	7.9
112.98843	0.3
113.02456	4.4
119.03504	3.2
131.03587	0.3
135.08194	1.7
143.03523	0.2
149.04550	0.3
161.82939	0.2
165.09189	0.5
179.05664	0.4
216.68056	0.3
239.17914	0.2
241.15982	3.2
245.15457	11.6
255.17529	4.9
256.09152	0.2
257.19095	5.0
257.21780	0.3
258.19373	0.2
271.13580	0.5
271.16885	0.2
273.18616	1.2
283.16983	2.2
289.14600	0.6
297.85663	0.3
301.18079	46.1
302.18500	1.4
327.21588	0.3
327.36993	0.2
345.17184	0.9
507.22339	100.0
508.22653	3.7
525.23370	27.0
526.23682	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51177	23.9
55.27052	30.3
61.65520	23.3
69.21203	100.0
71.47078	24.2
73.45047	25.4
98.82668	29.3
150.03300	27.6
248.19630	26.2
253.21712	29.6
289.08337	76.9
327.00467	25.1
358.28452	29.5
422.39713	31.4
525.26147	97.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11747	27.9
59.01358	40.9
61.48622	34.6
69.18796	72.7
69.19183	100.0
72.16933	32.3
72.79939	29.8
78.12686	32.0
86.71521	31.0
95.47428	29.7
95.65244	31.2
98.22607	68.9
124.87022	33.4
130.32773	34.5
186.84682	31.6
211.53241	37.5
253.21764	34.3
345.29962	34.2
525.28595	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	525.3061
Annotation	Lemnaloside C
Peak:m/z	Relative Intensity
50.68947	0.6
53.71749	0.6
59.01379	100.0
61.98833	1.7
71.01375	5.7
73.02955	2.7
74.18850	0.6
83.01383	0.7
85.02970	2.9
87.00870	0.6
89.02471	1.4
93.98375	0.6
99.00883	0.9
100.59634	0.6
101.02429	4.1
113.02476	2.6
119.03526	0.8
120.99683	0.8
132.08824	0.7
136.47824	0.7
160.84274	0.8
161.04536	3.0
165.78549	0.7
166.45071	0.8
166.46539	0.6
273.94519	0.6
321.24478	1.9
419.00943	0.7
465.28464	6.0
466.12057	0.8
483.29248	3.6
525.31055	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56799	0.6
56.47193	0.6
61.98824	7.7
65.00320	0.7
65.51836	0.5
72.99297	2.4
73.02938	1.0
83.01378	0.7
98.91929	0.5
107.01398	1.6
108.02159	1.3
109.02971	0.8
121.02957	1.8
122.82805	0.6
135.00894	1.2
148.01627	0.9
151.00386	7.9
163.00392	1.9
178.99826	5.0
192.00697	0.7
226.02719	1.3
227.03531	2.0
243.02977	6.6
244.03726	0.6
245.04510	1.4
254.02159	1.2
255.02992	18.1
271.02475	44.5
272.03091	1.7
273.03900	0.7
283.02484	1.3
299.02054	0.9
300.02740	82.5
301.03503	35.6
302.04001	1.0
431.77905	0.6
451.32590	0.8
463.08829	100.0
464.08963	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	526.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83622	1.1
57.03444	1.5
59.01365	1.8
61.98824	2.0
69.21712	5.6
72.04823	1.0
78.95905	16.0
99.08161	8.2
127.11318	8.9
139.11307	20.8
140.01202	6.4
152.99626	3.2
155.10826	1.3
157.12335	3.2
171.10272	68.3
172.10623	1.7
183.13947	2.6
183.96025	1.0
196.03854	2.0
197.21922	1.0
201.11366	2.2
202.66054	1.2
209.11848	1.3
211.13385	17.1
214.04890	7.2
229.14513	8.8
241.05591	1.1
293.21185	2.3
316.38678	1.1
329.23331	96.6
330.23431	2.4
339.35519	1.1
369.65225	1.1
405.91714	1.2
436.43689	1.3
526.27875	100.0
527.28497	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	526.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	66.0
69.32904	100.0
123.79255	21.5
202.31619	18.5
220.59602	19.2
257.03128	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	526.3019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
60.01709	9.7
61.98823	12.8
70.65921	8.4
71.01417	6.5
79.52074	4.6
80.72978	4.3
89.02446	5.4
89.46100	5.1
92.43223	4.1
101.02454	7.8
147.42406	4.2
161.04530	7.3
225.69771	4.6
255.44804	4.4
291.22510	4.6
483.29782	27.3
526.30237	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	527.0498
Annotation	Isoorientin 7-O-sulfate
Peak:m/z	Relative Intensity
53.14159	0.4
54.46159	0.4
55.01893	0.5
59.57571	0.4
69.96861	1.2
69.97202	0.9
70.60368	0.4
71.01369	0.5
77.03955	0.6
77.55582	0.4
96.96011	30.4
101.88713	0.6
109.02942	1.5
121.02965	1.1
126.18556	0.5
133.02936	5.9
135.04521	1.7
161.02449	0.6
163.04041	0.9
165.01981	3.1
174.16461	0.4
175.00473	0.6
175.03989	1.0
177.01894	0.7
189.01782	0.6
198.99289	0.5
199.04004	0.9
212.04797	0.6
213.05507	0.8
227.07216	0.6
237.05635	0.6
243.03000	0.6
253.05029	0.8
255.06557	0.5
269.04541	0.6
271.06229	0.6
285.04095	2.9
297.03995	5.8
298.04709	3.7
299.05618	31.9
300.05923	0.9
309.03986	1.2
311.05612	3.7
325.03354	1.3
327.05093	71.4
328.05423	1.8
330.03711	0.9
339.05063	7.1
357.06146	22.0
358.06204	1.0
369.06006	2.0
378.87079	0.5
399.07031	0.6
429.08246	1.8
439.80820	0.5
447.09305	100.0
448.09650	4.3
527.05005	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	527.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46275	1.1
57.59901	1.1
59.01380	100.0
63.90258	1.0
66.39915	1.2
69.16749	6.9
80.91683	2.0
96.95999	2.4
96.99319	1.7
98.22628	1.8
101.00957	1.3
117.00439	3.8
141.00493	10.6
141.01688	74.2
151.09230	1.3
152.54362	1.3
153.01907	1.0
171.01508	1.6
201.02600	5.5
217.58203	1.2
261.04587	2.4
263.16501	1.2
270.36673	1.1
287.11465	1.9
340.25723	1.2
407.15311	1.5
467.17859	1.8
490.65399	1.2
491.21503	2.0
527.18835	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	527.2113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49333	1.2
59.01381	100.0
60.90045	1.3
62.01397	1.2
65.32304	1.5
71.42515	1.4
96.99349	1.7
135.01666	1.5
141.00529	3.3
141.01695	64.5
146.07552	1.7
256.39587	1.6
286.92163	1.4
338.35724	1.4
393.41794	1.4
407.15674	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	527.239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40839	0.4
53.01435	0.4
56.12438	0.4
59.01380	1.0
60.46264	0.4
69.31213	0.8
69.31611	1.3
70.69077	0.5
78.95907	8.8
110.98531	5.4
116.92844	0.5
121.25972	0.5
125.54228	0.4
133.72441	0.5
135.92790	0.4
167.01141	3.8
185.02220	3.9
193.90715	0.9
196.89481	0.7
199.80130	0.4
233.22601	0.6
259.20618	0.9
276.12964	0.4
277.21719	100.0
278.22076	4.0
287.09402	0.4
409.45691	0.4
445.23581	34.2
446.23837	1.3
527.22949	1.6
528.15765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2498
Annotation	Parvifoliside
Peak:m/z	Relative Intensity
53.55458	1.1
59.01382	37.3
61.93361	1.1
61.98833	20.1
62.98575	1.2
69.96201	1.5
69.96550	3.6
71.01387	21.6
73.02937	1.6
78.74177	1.2
78.91895	1.4
83.50186	1.1
85.02945	3.3
86.57180	1.4
89.02448	21.9
95.01385	1.4
96.96019	3.4
98.21859	1.4
101.02448	11.1
106.14485	1.3
110.30981	1.3
113.02451	8.4
116.92822	2.5
119.03532	9.2
131.03508	1.5
135.04492	1.7
143.03516	2.3
154.22697	1.3
161.04543	2.3
179.05594	9.2
321.20712	3.6
327.05038	3.6
347.18561	16.6
365.19672	82.3
366.19955	5.1
367.12491	1.4
378.88547	1.4
407.20718	6.3
447.09473	4.5
527.24982	100.0
528.25226	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	527.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47856	2.7
56.93855	2.6
59.01379	42.6
61.98839	5.3
71.01380	13.8
73.02953	6.7
74.27541	3.5
82.32828	3.0
82.42128	2.9
83.01428	4.2
84.22111	2.9
85.02953	10.0
101.02453	13.2
113.02451	6.3
133.88786	3.5
158.91478	4.2
220.81996	2.8
233.86090	2.9
264.99167	3.0
399.40436	3.2
423.23959	6.0
441.24533	18.1
483.25974	100.0
484.26266	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	527.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
72.01306	69.6
77.13538	74.4
84.95155	75.1
85.71344	80.1
91.24112	99.6
133.45624	84.3
195.48204	85.8
255.23199	89.7
260.14926	84.7
457.52426	100.0
459.94345	93.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.2
57.03451	0.3
57.08306	0.1
59.01379	100.0
60.01719	0.5
61.98841	0.3
69.03458	0.2
69.10830	1.0
69.29910	0.1
71.01382	8.3
73.02949	9.4
73.50176	0.1
83.01389	2.0
85.02949	2.0
87.00887	0.4
89.02438	4.2
90.01263	0.1
91.43263	0.1
95.01383	0.7
97.02972	0.3
99.00833	0.2
101.02446	7.7
113.02451	8.1
119.03489	1.5
125.02448	0.3
131.03520	0.8
140.59282	0.1
143.03462	0.8
149.04611	1.0
155.03549	0.2
161.04543	3.1
179.05661	0.9
197.60327	0.1
203.05692	0.2
221.06697	0.3
265.90353	0.1
326.34314	0.1
461.39801	0.1
467.30185	2.4
468.30603	0.2
479.28738	0.2
485.31409	0.4
527.32660	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.4
57.03457	0.3
59.01378	100.0
60.01718	0.6
61.98828	0.7
69.14316	1.6
71.01381	3.7
72.50031	0.3
73.02952	1.7
73.03305	0.2
82.99332	0.2
83.01388	0.7
85.02941	2.2
89.02428	0.5
95.01391	0.6
98.21783	0.5
99.00881	0.3
101.02440	3.1
104.35825	0.2
113.02447	1.6
161.04585	1.7
164.56000	0.3
169.04428	0.2
467.30713	0.4
485.31119	4.3
514.83624	0.3
529.30432	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.1
59.01373	2.2
61.98828	60.8
69.92442	1.8
69.92799	2.2
83.01369	2.6
93.28912	1.0
95.01378	1.7
95.53983	0.9
96.96044	1.2
98.22602	0.9
109.02984	1.6
119.39124	1.0
121.02882	1.2
123.04511	1.4
124.01638	3.2
125.02446	68.0
137.02420	1.5
149.02420	2.2
150.03201	1.8
151.00400	6.9
151.03989	3.2
152.01163	11.1
153.01892	4.3
165.10291	1.3
175.03979	2.5
177.01913	2.9
178.99864	5.1
181.01437	1.2
189.05531	2.6
193.05103	1.9
215.07251	1.0
216.04266	1.1
217.05035	5.8
231.06631	1.2
241.05025	1.6
258.54504	1.0
259.06070	10.5
274.04724	2.2
275.05594	8.3
285.04034	18.5
303.05069	8.0
324.73895	1.0
328.05444	2.3
348.78116	1.1
358.06512	1.4
394.91241	1.0
407.07104	1.1
413.04486	1.0
413.18170	1.3
421.11115	1.5
437.10910	7.6
447.09256	7.1
448.09689	2.9
465.10349	100.0
466.10703	5.0
467.28403	1.4
481.35352	1.2
503.44839	1.1
527.24957	1.2
528.30267	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	528.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71597	0.6
54.63251	0.6
58.46103	0.8
59.01377	1.0
61.98829	100.0
71.46973	0.7
115.92114	1.0
116.92867	1.1
117.92918	1.2
123.04527	1.1
125.02478	1.2
167.03508	5.7
208.72513	0.7
217.33295	0.6
243.90216	0.7
303.08698	11.6
410.25775	0.7
465.14160	1.8
492.10721	1.0
528.12909	2.8
538.04236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83529	2.9
54.38085	3.4
59.01378	43.8
60.18701	3.0
61.53887	3.0
61.98839	18.2
69.15957	14.4
71.01386	39.4
73.02943	3.7
83.01393	3.8
85.02971	5.2
88.04042	61.4
89.02440	20.6
89.64037	3.1
101.02440	10.5
113.02468	10.0
115.00386	17.5
119.03510	4.4
132.03036	27.2
179.05612	9.9
190.40446	3.2
264.35806	3.6
411.82834	3.6
412.22812	5.1
413.21872	13.5
484.25052	4.5
528.24548	100.0
528.31769	10.8
529.25348	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	529.0646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	4.0
59.05532	0.3
61.98820	1.0
70.51281	0.7
71.01379	2.7
73.02936	0.9
76.68881	0.3
79.95735	3.3
83.01389	0.5
85.02947	0.9
89.02451	1.4
95.01348	0.5
96.96013	100.0
98.95618	1.0
99.92565	0.4
101.02454	1.9
111.72073	0.4
113.02443	0.8
115.92098	0.6
117.03535	0.5
129.84656	0.3
140.21019	0.4
159.04510	0.4
205.68260	0.4
278.55954	0.3
281.01526	0.6
281.04617	0.9
283.06107	3.2
311.05594	4.3
323.05734	0.8
331.19296	0.5
339.01883	1.0
341.06760	1.7
349.00409	0.6
349.20218	1.5
354.00568	1.3
367.01379	4.0
367.21313	1.4
380.99188	1.2
381.03070	0.9
409.02444	21.4
410.02786	0.5
431.09897	5.7
439.03311	0.6
529.26550	32.7
530.27039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.141
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00582	1.0
59.01360	0.7
65.95103	0.4
67.01893	9.4
69.32041	1.2
69.32434	0.8
71.01395	0.4
73.02956	0.7
78.95910	1.3
81.03493	0.9
83.01359	0.6
85.02946	0.6
85.22865	0.4
87.00883	0.5
88.23324	0.4
88.98801	1.0
89.02435	1.3
92.92830	0.7
98.21884	0.4
99.04521	5.5
101.52792	0.4
108.90177	0.9
110.89912	4.0
111.00885	100.0
112.01225	0.9
112.89652	1.9
115.04023	0.6
143.03505	59.4
144.38792	0.4
154.99857	1.2
158.55276	0.5
163.56683	0.4
179.05710	0.5
186.82898	1.6
186.91458	0.8
187.02510	2.4
187.10846	0.5
305.15143	0.4
341.10757	1.9
377.08353	0.8
379.08136	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2053
Annotation	Gomisin D
Peak:m/z	Relative Intensity
53.85228	3.5
59.01376	37.3
61.98824	14.9
71.01393	20.8
89.02448	46.3
96.96021	9.5
98.21805	8.8
101.02435	16.8
113.02431	11.2
119.03508	31.1
121.12318	3.7
131.03491	4.8
133.02948	10.0
135.04593	3.9
143.03481	7.8
149.04492	3.4
161.04565	9.4
179.05566	42.2
217.50217	3.9
285.03888	5.5
297.04123	8.2
298.04871	8.7
299.05499	13.5
311.05597	4.3
327.05121	55.4
329.96823	3.4
339.05103	4.3
357.06094	22.0
367.02756	4.5
397.04169	4.0
428.55502	3.9
439.04953	5.1
447.09296	70.3
449.10080	4.7
493.22974	50.1
529.07800	13.5
529.20428	100.0
559.61121	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	529.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27952	3.0
59.01379	100.0
69.34464	7.1
69.34858	9.9
71.01387	9.9
82.95431	4.1
84.95114	10.9
85.54946	3.3
98.99372	6.1
101.00963	6.1
103.92003	3.1
111.18684	3.1
117.00438	5.8
125.00760	3.2
133.01411	7.1
136.99733	3.1
141.00462	19.7
141.01704	85.6
155.02022	3.1
167.60390	3.4
171.94704	3.9
173.71783	4.3
183.01515	9.5
224.59119	3.2
243.03488	7.6
273.56656	3.5
397.19037	3.5
427.17780	4.1
438.91751	3.3
469.19318	60.7
470.19604	6.5
487.08951	4.7
490.38327	3.4
493.23019	4.0
529.27032	5.0
530.10382	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	529.2573
Annotation	Desoxymorellin
Peak:m/z	Relative Intensity
51.04118	7.8
59.01378	66.4
61.98824	23.9
69.03445	7.6
71.01385	28.8
71.78633	6.9
73.02947	32.7
96.96001	16.9
101.02450	22.5
187.09628	8.5
193.81187	7.9
273.08853	7.2
349.20444	20.2
367.21246	36.7
374.93283	9.3
511.26553	8.2
529.26447	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	529.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
57.66670	0.6
59.01373	15.2
61.98808	1.1
69.13660	4.3
71.01373	8.7
71.05029	2.3
72.99286	0.7
73.02944	2.1
79.01121	0.6
83.05025	1.2
83.05581	0.6
85.02928	1.4
87.00877	1.1
89.02442	7.4
97.06602	0.8
101.02445	9.0
113.02452	4.5
119.03490	2.9
143.03499	0.7
161.04582	3.8
177.16528	0.8
179.05640	1.2
179.67291	0.7
192.73997	0.7
196.02190	0.8
209.15408	0.7
221.15671	0.8
225.10193	0.8
231.21327	3.8
235.08195	1.9
235.17018	50.5
236.17412	2.0
250.12344	0.7
253.09282	44.2
261.25653	0.7
275.20148	72.4
276.20428	1.6
287.94818	0.7
293.21225	100.0
294.21448	2.7
305.21075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03008	12.1
78.95904	84.0
82.99889	2.8
89.25757	3.0
96.96039	3.8
96.96950	21.2
110.03605	100.0
125.03568	48.7
128.05034	2.8
176.37831	2.7
176.99562	8.9
195.00655	49.0
275.03345	5.3
293.04294	11.3
321.04816	10.9
419.08624	37.6
514.32574	2.9
530.13013	88.4
537.22955	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	530.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38054	0.2
57.19618	0.1
59.01377	0.6
61.98829	100.0
69.24828	0.8
71.01413	0.2
73.63187	0.2
88.09912	0.2
101.02477	0.3
131.43004	0.2
149.35490	0.2
192.06744	0.3
248.25790	0.2
344.26917	0.2
359.90799	0.2
441.21188	0.2
511.35345	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51291	0.7
58.57153	0.9
59.01379	3.6
61.98824	2.3
69.74000	3.5
71.01377	1.4
84.49892	0.8
89.02445	2.1
96.35918	0.8
98.22575	1.4
101.02456	1.9
115.24348	0.8
161.04549	1.7
167.66884	0.8
224.04442	0.8
235.08214	2.1
251.20155	100.0
252.20406	2.0
253.09251	13.3
474.26883	1.0
511.28833	0.9
536.33643	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.302
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	2.9
69.29989	0.9
69.30382	1.7
78.95909	6.2
96.96014	3.1
102.60197	0.5
125.87310	1.7
127.87038	0.5
138.80330	0.5
144.08211	0.5
152.99574	1.4
168.04253	1.1
196.89513	0.6
219.84517	0.7
224.06874	1.1
242.07971	2.1
246.89276	0.5
255.23296	100.0
256.23517	2.6
277.21649	1.8
299.92078	0.6
305.25055	0.6
421.10077	1.6
480.30981	40.2
481.31244	1.1
494.13437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91845	0.5
59.25035	0.4
61.98830	13.8
66.00309	0.5
69.19921	3.0
78.95900	19.9
87.40774	0.4
88.70872	0.5
96.96000	1.7
98.21886	1.1
110.98513	0.6
152.99570	3.8
168.04323	3.7
194.49826	0.4
224.06943	7.1
242.08038	1.7
255.23288	100.0
256.23587	2.4
277.21750	10.7
278.22443	0.6
298.27859	0.5
445.23608	3.0
446.12906	0.5
480.30933	67.6
481.31235	3.5
530.21814	3.4
530.28851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04805	0.9
59.01363	1.0
61.98837	1.9
66.95914	2.5
79.47026	0.8
82.95416	100.0
90.27734	0.9
95.60934	1.0
100.21848	1.0
131.29724	1.0
133.03006	1.5
135.62248	0.9
158.24487	1.0
163.00464	1.0
164.48706	0.9
181.51497	0.9
212.64275	1.2
212.81465	1.1
282.48175	0.9
285.03955	2.2
293.65918	1.1
297.04068	3.0
298.04837	2.9
299.05499	2.6
327.05063	11.1
357.06094	8.6
440.98575	1.1
447.09351	21.2
486.29794	1.5
531.01666	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07573	2.5
57.03438	2.4
58.02217	2.2
58.31575	2.6
58.89450	2.4
59.01373	19.5
61.98827	15.7
71.01378	4.4
71.43244	2.5
72.99302	8.0
82.71836	2.8
82.95415	18.0
84.99298	9.4
87.00866	15.9
87.90424	2.1
92.51534	2.7
101.16871	2.7
111.00890	3.0
112.98817	100.0
121.78988	2.2
133.03032	2.5
134.03754	60.0
141.80843	2.3
149.06035	15.2
160.01645	10.6
161.02451	5.7
161.04520	2.6
162.03212	9.4
175.03923	13.2
176.04828	5.0
177.05550	4.3
178.02725	18.0
179.10727	5.9
190.02690	7.1
191.07162	4.5
193.05075	61.6
202.02748	3.2
205.05002	5.3
218.02162	2.9
233.04549	38.0
245.04590	3.0
275.09946	2.7
307.04608	57.0
337.09238	3.5
531.28400	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	531.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86692	0.3
59.01382	1.4
61.98825	0.8
65.00324	0.6
69.41262	1.0
71.01376	1.2
71.05006	0.4
73.02926	0.4
82.95398	0.5
91.01917	0.4
93.03458	0.4
95.83030	0.3
96.95979	0.6
101.02431	0.4
112.98809	0.3
113.02431	0.5
117.03479	0.6
133.02951	0.4
143.05029	3.9
146.08211	1.0
155.84283	0.3
157.06570	0.3
164.03569	0.9
167.05025	8.0
169.06607	2.1
180.05807	4.3
181.06612	4.2
182.03970	0.3
183.04521	2.9
185.06079	1.7
191.03543	0.8
195.04556	0.5
196.05351	0.5
197.06100	3.0
207.04541	0.6
208.05278	5.1
209.06084	16.4
210.03166	0.6
210.06474	0.5
211.03987	2.3
224.04764	1.3
225.05585	8.0
227.07159	4.0
235.04114	0.3
252.04327	1.1
253.05058	100.0
254.05383	2.3
257.08051	0.3
258.31317	0.3
263.61752	0.3
270.07819	0.6
271.06122	6.5
277.12332	1.3
314.83853	0.3
330.08093	0.7
333.16968	0.3
333.20697	0.6
351.21686	1.0
401.11719	0.4
456.03360	0.3
531.18103	2.1
531.28107	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	531.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	3.3
61.98827	19.6
69.40105	5.5
71.01391	1.2
82.95413	5.2
112.98815	5.5
128.03621	1.9
131.01385	1.1
134.03714	3.3
135.04524	1.4
139.61401	1.4
193.05078	2.2
197.02240	3.0
260.54391	1.4
271.20901	2.5
307.04614	2.5
315.19598	1.6
333.20715	100.0
334.21063	3.3
374.60104	1.2
395.06873	1.3
403.30896	1.5
450.17816	1.2
468.18976	1.3
531.23059	11.7
532.35034	2.9
542.94415	1.3
552.30859	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.3
61.98829	100.0
69.22659	0.6
69.23064	0.5
76.55265	0.2
93.23541	0.2
95.68211	0.2
96.96017	0.3
112.98816	0.6
136.88626	0.2
279.41965	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82252	1.3
52.95396	1.3
59.01373	3.7
61.98833	3.1
71.44430	1.6
78.95907	36.7
115.63885	1.5
126.01325	1.4
138.92046	1.8
140.01187	10.4
152.99614	4.7
196.03801	14.4
197.95670	1.4
214.04843	2.6
253.21799	2.0
277.21725	100.0
278.22089	2.2
460.47394	1.9
474.26242	76.8
475.26401	3.9
509.78705	1.7
532.22083	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.0
61.98831	1.4
71.44517	1.0
78.95907	9.8
96.03766	1.1
111.35467	0.9
138.92076	1.6
140.01221	4.2
152.99626	1.4
196.03784	2.4
196.29243	0.8
214.04861	3.9
253.98515	1.1
277.21725	100.0
278.22046	2.8
294.85886	0.8
335.17737	5.2
390.16055	1.0
474.26254	37.5
475.26633	1.9
532.22101	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.3
61.98842	4.2
71.01409	1.8
78.95912	4.2
95.72969	2.0
98.22655	5.1
201.97954	1.7
253.09277	12.8
253.21733	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	532.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11128	1.9
59.01372	2.5
60.97463	1.8
61.98824	10.0
76.52164	1.8
78.95906	21.0
98.95589	2.2
101.02427	2.5
109.99899	2.0
147.48709	2.2
152.99580	16.0
178.88422	3.2
179.89099	2.0
196.89473	31.5
197.89499	15.0
235.08089	3.1
248.72984	2.3
253.09315	11.6
253.21724	100.0
256.10446	2.1
256.61066	2.2
340.14539	2.3
431.22070	4.2
477.19794	2.0
496.27106	4.0
532.15021	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	533.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71920	0.3
59.01377	2.4
69.52645	1.4
72.74580	0.3
82.31300	0.4
89.02449	0.4
93.96473	0.3
96.36082	0.3
97.24652	0.3
101.02438	0.6
122.03746	3.0
125.02441	0.3
150.03224	74.5
151.03554	1.3
165.05566	100.0
166.05916	1.2
208.83730	0.4
217.00336	1.0
298.88068	0.3
307.10132	0.4
553.45966	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2524
Annotation	longirostrerone D
Peak:m/z	Relative Intensity
59.01388	16.3
61.98813	3.2
70.33501	4.0
71.01354	2.6
77.01661	1.9
79.53044	3.0
91.47552	1.9
97.06570	2.5
97.33921	2.1
148.82742	2.1
193.98642	2.1
197.02257	16.9
261.22147	2.7
273.22260	27.3
292.67197	2.2
335.22278	100.0
336.22473	2.8
501.33661	2.3
533.24957	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22867	9.0
59.01376	54.1
61.46572	8.0
61.64522	8.5
61.98828	34.7
69.66368	8.2
70.65361	13.1
116.25140	10.4
127.09570	9.7
169.98285	9.8
217.00313	16.7
219.17476	15.7
233.06476	9.2
261.22101	12.6
327.25168	23.6
335.22400	100.0
354.46744	10.4
356.71606	9.6
371.24136	21.5
374.99402	9.2
497.27707	13.6
533.25232	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	533.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29475	0.7
57.03406	0.6
59.01373	2.9
61.98830	10.5
65.82475	0.7
69.03452	4.1
69.64907	1.4
69.65269	2.9
71.01367	1.0
71.05018	1.7
76.20731	0.7
177.90657	0.9
197.02258	1.6
205.15984	1.3
217.00394	1.2
221.19099	2.3
257.19064	2.1
263.20010	0.8
333.49719	0.8
335.22275	100.0
336.22607	4.1
371.19794	1.1
489.27124	1.8
497.27454	3.2
533.25293	13.7
554.54620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21742	2.6
59.01376	26.3
61.98838	5.4
67.44357	2.8
69.71877	5.8
69.72269	5.7
71.01389	12.5
79.53401	2.4
89.02444	8.7
96.96014	3.5
101.02448	9.2
102.03344	2.4
112.98831	5.2
113.02431	4.5
116.83997	2.7
119.03506	3.0
135.04501	6.3
179.03493	5.1
197.02222	3.0
225.51115	2.5
239.16476	3.3
242.25246	2.9
291.23315	4.4
317.21420	4.4
335.22266	71.5
497.27582	100.0
498.27768	4.8
533.25177	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	534.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	30.1
61.98830	100.0
64.32606	0.3
67.75527	0.3
69.03457	0.3
70.61999	0.5
70.62344	0.3
71.01382	6.1
73.02946	14.4
83.01397	4.0
85.02954	1.1
89.02444	3.5
101.02446	12.7
101.03096	0.7
107.05014	0.9
110.17089	0.3
112.98832	0.5
113.02451	4.3
119.03517	1.5
125.02463	0.7
125.87280	0.5
128.03526	0.4
131.03526	1.4
136.05350	0.6
143.03490	1.2
149.04593	1.1
149.06090	0.8
161.04521	3.1
163.11322	1.5
166.05099	16.0
175.07706	0.4
187.11253	0.6
205.12338	12.5
205.14255	0.7
209.64519	0.4
223.13417	0.9
372.87149	0.5
373.13037	0.5
535.18011	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	534.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13564	3.7
59.01377	100.0
61.98831	94.2
69.61217	6.3
69.61556	11.2
70.90065	3.3
71.01383	24.1
73.02940	20.1
78.91158	3.3
80.15750	4.3
83.01396	8.0
84.95126	3.8
85.02921	6.1
87.00858	7.5
89.02479	9.3
98.21825	4.8
101.02462	18.0
113.02477	11.9
119.03468	4.3
125.02431	5.2
133.02916	5.1
135.04507	7.1
138.06873	7.5
149.04623	4.8
151.07666	5.6
152.08435	11.7
153.09210	35.4
154.28700	3.4
161.04527	6.3
177.01944	3.9
179.03554	5.2
205.12360	16.2
210.02411	3.5
216.95522	4.2
221.06694	5.1
223.13455	5.4
245.20155	3.8
306.08179	4.3
367.17551	43.8
370.16391	3.7
385.18478	8.0
394.38080	3.7
427.19601	30.6
461.11612	4.1
484.02533	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	534.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98817	1.6
62.96350	1.0
63.10918	0.8
68.43353	0.8
78.95917	8.1
80.91541	1.0
87.88335	0.9
100.09159	0.9
121.64188	0.9
138.92052	1.4
140.01175	2.7
152.41901	0.9
156.31639	0.9
196.03830	1.7
214.04805	3.2
221.61145	1.0
240.22481	0.9
279.23300	100.0
280.23590	2.3
337.19116	2.9
476.27798	29.5
496.27960	1.3
534.23572	19.1
536.23047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64676	1.1
59.20030	1.3
59.21284	1.2
61.98824	3.4
64.37739	1.3
70.10043	2.3
78.95907	25.8
78.96336	2.9
80.10024	1.4
91.56139	1.2
94.91113	1.3
98.21915	1.7
103.91727	1.5
138.92101	1.9
140.01189	6.6
160.29942	1.4
196.03746	9.7
214.04907	2.3
279.23300	100.0
364.36700	1.3
452.16019	1.5
474.00156	1.6
476.27844	63.4
477.28436	1.7
483.24844	1.7
534.23602	24.9
537.48816	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	534.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	1.0
69.23174	0.9
69.23589	1.9
69.95187	0.4
72.95875	0.4
78.95905	24.1
122.00166	1.0
140.01172	5.7
152.99561	2.1
196.01974	0.8
196.03790	12.2
214.04890	2.5
244.65913	0.4
255.23291	100.0
256.23627	3.0
452.27808	64.7
453.27835	2.5
453.42447	0.5
461.48505	0.5
493.65610	0.5
534.26849	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69770	0.6
54.37840	0.7
58.21107	0.7
59.01369	3.0
61.98822	2.6
63.83472	0.7
69.15382	1.6
69.15791	3.6
71.01379	2.8
71.38264	0.7
73.02932	1.8
78.95908	1.2
85.02944	1.1
89.02441	2.8
101.02435	2.7
104.80852	0.8
108.46280	0.7
113.02427	0.9
115.04024	0.8
119.03503	0.7
152.99596	0.8
166.02039	0.7
169.22826	0.7
170.97897	0.7
196.89507	1.1
197.89459	0.8
235.08253	2.6
253.09293	14.9
255.23293	100.0
256.23596	2.2
323.92014	0.7
389.95120	0.8
402.67511	0.8
491.32269	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93430	3.1
59.01387	5.9
70.34206	6.6
70.34539	4.0
83.01396	5.9
87.00855	4.8
88.98807	5.0
89.02460	7.0
91.67186	2.9
93.39528	3.3
99.00897	5.4
109.02934	9.5
135.04521	7.3
149.06073	100.0
161.02448	10.7
163.04016	5.7
165.05579	5.6
169.03229	3.5
174.03252	3.6
175.03990	17.5
177.01897	13.6
187.03899	3.7
191.03502	4.9
193.05058	18.2
219.02979	42.1
233.04546	13.4
237.04041	66.3
277.03546	5.6
293.06671	4.5
319.04303	5.0
337.05661	82.8
381.08109	7.4
399.09195	6.1
439.08389	3.6
481.09644	17.1
499.10928	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47277	1.8
59.01379	18.4
62.12253	1.5
65.00327	9.3
70.76391	2.3
71.01392	5.4
73.02949	1.5
82.95430	2.4
83.01393	5.6
85.02959	1.7
89.02437	3.3
101.02436	3.4
107.01403	16.3
113.02475	2.9
113.74257	1.3
125.02446	4.0
127.56261	1.6
133.02966	2.1
135.03471	3.1
135.04521	70.6
151.00366	100.0
229.89308	1.6
287.05603	58.6
371.14877	6.3
379.15030	1.9
431.26437	5.7
491.11969	27.0
535.27014	5.0
535.41437	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	535.1821
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
55.93507	2.8
59.01381	47.2
61.71780	2.9
70.59718	4.4
71.01377	13.8
78.04446	3.2
82.95421	8.7
83.27796	2.7
85.02914	3.8
86.61030	3.2
89.02450	18.1
89.81345	3.4
95.01325	3.1
101.02438	11.9
108.02155	5.9
119.03462	4.9
136.01714	15.7
136.75526	3.6
151.04004	23.9
160.05319	16.8
173.06062	3.1
174.04506	3.1
175.07678	15.5
187.04013	10.1
188.04767	10.2
203.07158	12.6
215.18237	2.8
271.12787	3.4
295.05865	4.9
297.28357	3.1
310.08502	6.4
322.08282	3.1
325.10831	35.0
328.58005	3.6
337.10858	7.3
349.55624	2.9
353.30798	3.4
355.12003	7.7
501.36005	3.1
535.18219	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	535.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26043	0.6
59.01379	29.4
61.98823	1.6
69.36454	1.2
69.36843	1.3
71.01381	12.8
73.02961	0.7
78.47337	0.5
83.01384	1.0
85.02954	3.3
87.00887	0.7
89.01920	1.2
89.02438	11.1
95.01383	1.3
98.21835	1.2
101.02444	7.8
104.05051	2.4
104.44423	0.6
106.06632	1.6
108.04549	2.9
113.02434	4.4
115.14510	0.6
119.03543	3.7
122.06112	0.9
132.04553	31.2
134.06120	21.1
134.10136	0.7
140.16620	0.7
144.04576	1.0
144.77649	0.6
148.04053	1.3
152.07146	1.7
158.02449	1.4
158.06125	3.2
160.04077	0.7
176.03520	6.7
188.03548	2.8
190.05112	3.7
201.70772	0.7
202.05008	0.6
218.94958	0.6
220.43982	0.6
227.11765	0.8
251.11908	5.1
255.11351	2.5
279.11383	16.3
295.10913	3.4
314.12454	2.9
323.10391	9.4
332.92825	0.6
337.12061	1.6
373.12619	1.0
435.17798	6.0
459.17731	17.1
460.17862	0.7
475.17227	3.5
503.16724	100.0
504.17001	3.8
517.18231	6.1
535.19330	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	535.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31350	24.9
57.39240	22.9
61.98827	33.1
68.62218	24.0
69.69086	41.2
72.21804	21.9
78.95909	56.2
83.51845	24.0
152.99615	31.9
175.65604	24.4
179.65302	23.4
230.23750	24.0
277.21414	43.6
278.22086	100.0
351.06073	27.1
385.45633	32.3
475.26645	71.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	43.9
61.98825	3.8
65.60027	2.7
69.41074	6.3
69.41492	8.1
70.27935	2.8
71.01377	9.2
72.99296	3.9
73.02927	3.0
80.75887	2.5
82.44125	2.7
84.70652	2.5
98.22538	4.8
99.00926	3.1
101.02428	2.8
112.98831	12.8
113.02438	8.8
116.83083	2.6
119.05009	8.2
121.66268	2.3
163.04005	5.0
174.02026	2.9
197.02225	6.7
198.54758	2.7
203.03470	3.1
232.04012	2.3
269.11639	4.0
277.03555	8.1
335.22189	5.4
337.23822	100.0
338.23935	4.7
361.20538	3.7
423.39246	2.9
431.26328	7.9
449.17758	6.2
535.26349	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86206	1.6
59.01377	34.5
61.98824	3.2
66.54680	1.8
69.30855	8.7
71.01381	12.8
73.02934	3.2
83.01393	2.7
83.58514	1.7
85.02944	5.8
87.00874	7.5
87.83391	1.6
89.02428	1.9
92.57056	2.0
95.01340	2.4
98.22623	2.9
99.00837	2.1
101.02438	8.9
113.02456	5.3
125.02460	2.0
188.34621	1.8
248.63722	1.7
269.21185	4.4
287.16537	1.9
287.22293	41.4
305.17102	2.2
335.22406	3.2
337.23709	9.0
376.64340	1.6
394.96945	1.7
431.20477	5.8
431.26474	19.0
449.21719	4.2
449.27533	44.4
450.27072	1.9
491.23535	4.6
491.28662	100.0
492.28864	3.9
530.17560	2.2
535.25592	3.3
535.32306	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	535.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95604	1.8
59.01382	35.6
61.98829	9.4
63.74884	1.8
69.35534	3.2
69.35931	7.7
71.01389	13.0
73.02956	4.2
81.67192	1.9
83.01396	5.5
85.02950	6.3
87.00854	4.3
89.02436	2.0
101.02449	6.6
111.00862	2.1
113.02438	6.4
118.96960	1.7
126.08066	2.0
252.24118	1.8
269.21286	4.4
287.16574	2.0
287.22305	31.9
335.22339	3.5
337.23746	6.9
395.48184	2.4
399.58289	2.1
431.20483	8.3
431.26511	19.4
449.21594	5.3
449.27502	44.1
450.27948	2.2
491.22696	7.0
491.28656	100.0
492.29370	4.5
535.25616	4.0
535.32074	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	535.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97486	0.2
59.01384	0.4
62.42043	0.2
66.51496	0.2
66.95918	1.8
70.44833	0.4
80.27141	0.2
80.91700	1.0
82.95416	100.0
83.02499	1.5
93.69582	0.2
162.03232	3.2
177.05562	3.6
231.84058	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02539	0.5
59.01381	100.0
60.01729	0.5
61.98832	1.6
70.94000	0.9
71.01389	4.3
73.02949	6.2
77.54525	0.6
83.01413	0.8
85.02966	1.3
88.98834	0.8
89.02440	3.5
98.22523	0.6
101.02466	4.3
112.98846	1.0
113.02472	2.1
119.03506	1.3
125.97182	0.5
143.03497	0.5
148.82249	0.5
152.24796	0.5
161.04605	0.9
166.94347	0.5
285.67465	0.6
317.08594	0.6
335.22131	0.7
348.55978	0.6
352.92087	0.6
357.46912	0.6
373.25836	0.8
421.73965	0.6
497.27826	1.0
535.26257	5.9
536.27295	0.6
541.32672	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.5
57.03453	0.9
59.01379	45.6
60.01717	0.5
61.41091	0.3
61.98827	1.6
62.07526	0.3
69.03474	0.4
70.75467	0.3
70.97121	0.6
71.01380	10.2
73.02950	5.4
78.34154	0.3
82.95394	0.3
83.01382	3.0
85.02944	6.3
86.00128	0.4
87.00880	1.2
88.32116	0.4
89.02445	1.7
95.01403	0.8
97.02968	0.4
99.00883	1.4
101.02448	11.1
101.03103	0.7
111.00845	1.6
113.02447	5.2
125.02382	0.5
137.09711	1.0
155.10800	1.2
157.12279	0.8
159.02994	1.3
161.04584	1.0
171.13959	0.5
172.14397	0.4
186.12666	0.5
203.53061	0.4
239.13603	0.4
295.22812	1.1
313.23935	2.2
343.25021	0.7
373.26178	2.1
455.69925	0.3
457.28348	0.6
470.55759	0.4
475.29160	6.3
517.30145	0.8
535.31238	100.0
536.31567	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3124
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
53.35941	0.5
55.01867	1.1
57.03432	0.5
59.01379	51.0
59.97681	0.5
61.37417	0.4
61.98841	0.6
71.01382	8.4
72.99326	0.7
73.02949	5.1
83.01384	2.2
85.02951	6.2
86.37858	0.4
87.00884	0.9
89.02428	0.9
95.01392	0.6
97.06599	0.5
99.00876	1.4
99.48154	0.4
101.02438	9.6
103.21104	0.4
103.63928	0.4
111.00895	1.0
113.02442	3.6
116.92848	0.5
118.75709	0.4
123.08155	1.2
137.67474	0.5
154.06343	0.4
159.02986	1.0
161.04538	1.5
171.13969	0.6
179.64383	0.4
243.10931	0.5
261.96106	0.4
277.21823	2.1
295.22794	1.3
313.23932	0.5
362.19348	1.0
439.26941	1.6
457.27869	3.2
475.29080	3.3
517.30188	0.7
535.31232	100.0
536.31537	5.0
544.43402	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21811	0.4
55.01868	1.3
57.03439	1.4
59.01379	50.5
61.98822	4.6
71.01380	9.5
73.02952	5.2
80.91683	5.2
82.95423	1.1
83.01379	2.8
85.02941	7.3
86.00111	0.6
87.00887	1.0
89.02430	1.7
95.01375	1.0
97.06581	0.6
98.57795	0.4
99.00874	2.1
101.02442	10.8
111.00871	1.7
113.02453	4.9
116.92879	3.3
123.08154	1.3
129.01930	0.9
130.75389	0.5
159.02980	1.0
161.04532	1.5
220.91931	0.5
221.34679	0.5
227.16672	0.5
277.21725	2.4
292.11862	0.5
295.22803	2.0
335.22247	1.4
355.24869	0.6
362.19336	0.9
402.71228	0.5
439.26956	1.3
457.27936	2.8
475.28922	3.5
535.31244	100.0
536.31592	5.0
562.31964	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78141	1.6
51.04453	1.6
60.09800	1.7
61.98851	2.9
69.43202	4.9
73.20218	1.6
78.95915	7.5
80.81387	1.8
98.22551	2.7
104.23720	1.6
113.05679	1.6
115.72135	1.7
152.50179	1.6
152.99591	8.2
173.94920	2.2
253.21719	100.0
254.22011	2.2
277.21780	3.8
278.22107	3.5
321.72476	1.7
384.89548	1.8
478.29453	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19942	1.0
61.98833	5.3
67.33053	0.9
69.86938	1.4
69.87270	1.8
78.95905	5.2
88.24940	0.9
88.87379	0.9
96.96086	0.8
123.87000	0.9
125.66724	0.9
146.06763	0.9
148.99803	0.8
152.99579	3.9
158.22791	0.8
162.83926	5.4
163.25256	1.2
168.04346	1.2
184.43820	1.1
197.25603	0.9
242.08055	1.7
253.21733	100.0
254.22197	3.0
280.67474	1.0
370.71243	0.9
381.98566	2.3
411.17630	1.2
478.29385	41.7
479.29910	1.8
535.31287	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	29.8
61.98830	100.0
71.01392	1.8
73.02951	1.0
74.65251	0.3
80.07143	0.3
85.02984	0.6
89.02454	1.7
90.32607	0.3
101.02464	1.2
113.02464	0.9
119.03510	0.5
124.07869	0.3
125.27767	0.3
161.04643	0.6
189.12827	0.5
221.03412	0.3
272.45560	0.3
369.19156	0.5
387.20273	1.4
391.80466	0.4
405.54599	0.3
429.21182	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77275	0.2
59.01380	32.8
61.98830	100.0
66.90287	0.3
71.01381	1.9
71.44785	0.4
73.02962	1.0
73.35488	0.3
77.96683	0.3
85.02956	0.7
87.00873	0.4
89.02460	2.0
91.57214	0.3
97.92311	0.2
101.02464	1.6
112.32431	0.3
113.02483	1.2
119.03529	0.5
121.71591	0.3
143.03508	0.3
161.04616	0.7
189.12936	0.8
203.20326	0.3
239.03967	0.3
369.19336	0.3
387.20178	1.5
400.39807	0.3
429.21432	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.4
58.02971	0.6
59.01381	16.8
61.98829	0.9
68.96681	0.5
70.07014	0.9
71.01385	6.2
72.00907	5.1
73.02944	1.0
74.02477	12.9
74.33849	0.4
78.91879	1.2
80.91684	1.6
83.01382	0.8
85.02950	2.2
87.00859	0.6
89.02442	2.7
90.74432	0.3
93.03465	5.3
95.01393	0.4
96.21641	0.4
97.32877	0.4
101.02440	4.2
107.05029	0.4
113.02466	1.9
119.03551	0.7
119.05032	12.8
135.04562	0.5
136.07669	0.8
141.00609	0.8
141.01683	4.6
162.05618	0.5
163.04013	17.5
163.05394	0.9
164.04349	0.5
178.08812	0.4
180.06667	70.8
181.07051	1.0
192.13852	0.7
274.18295	0.5
312.19690	1.2
330.20712	3.9
361.28491	0.4
412.19434	0.4
430.20663	1.4
451.18533	1.0
491.27301	0.4
536.25006	100.0
537.25366	5.9
537.32831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	100.0
61.98823	82.1
67.33534	19.3
68.40887	19.8
69.16257	94.8
69.16664	43.1
71.01384	22.8
71.08159	17.3
78.29096	16.6
101.02417	38.0
133.03008	18.3
201.93797	23.9
390.19278	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88905	1.8
55.67959	1.7
59.01368	7.5
60.99298	6.5
71.01368	3.3
73.85479	1.8
88.98796	23.9
89.02454	3.2
109.02970	2.1
125.16773	1.6
131.07132	3.7
133.02956	8.7
161.02463	2.6
173.08131	3.2
175.03961	3.2
199.04070	2.2
201.01756	1.8
209.53094	1.7
210.99988	1.9
213.05632	2.5
222.92499	1.8
253.04965	1.8
284.03204	6.3
285.04034	13.7
297.04037	22.3
298.04877	12.8
299.05536	10.2
299.18433	1.7
311.05597	5.5
324.03082	1.8
325.03510	2.5
327.05106	53.9
328.05463	2.0
339.05029	4.5
339.12192	2.9
357.06137	38.7
369.06073	2.3
429.08328	6.5
447.09290	100.0
536.99182	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	537.107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00324	0.9
67.01891	2.3
85.02950	2.2
85.44944	0.6
86.09011	0.5
86.73457	0.5
89.00081	0.8
91.08062	0.5
92.92827	0.5
96.96009	1.1
96.96968	0.7
98.26855	0.5
98.68282	0.6
111.00879	82.1
112.01257	1.1
116.46357	0.6
120.99102	0.8
129.01970	0.7
132.99034	3.9
136.98799	0.9
151.00127	61.9
166.97510	1.0
171.75174	0.6
176.98036	13.8
181.91620	0.6
194.87189	0.7
194.99100	100.0
195.99438	1.0
212.98872	1.7
230.20653	0.6
254.99896	1.4
346.93561	0.6
372.91211	2.7
374.91110	1.3
537.10510	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	2.3
59.01380	9.9
61.98806	4.2
71.01395	5.3
80.91684	1.2
81.03462	5.0
83.01370	8.5
85.02937	1.7
86.79040	1.1
88.98793	1.3
89.02438	1.3
91.50301	1.2
95.53531	1.1
96.84608	1.1
101.02425	2.2
109.02945	8.9
111.98338	1.1
112.98814	1.6
113.02424	1.8
121.02950	1.5
123.04519	33.2
125.02440	28.1
135.04503	4.5
138.44577	1.1
139.04024	1.4
141.01706	2.5
141.11926	1.2
149.02409	3.5
151.00388	3.0
151.04089	1.2
167.03490	100.0
168.03807	1.7
175.00356	2.5
179.03468	7.3
187.03952	1.7
191.01897	2.2
191.03499	23.6
203.03513	2.0
209.04526	3.3
221.04477	1.9
231.37827	1.2
243.12271	1.5
245.08189	1.3
271.05984	3.9
289.07166	84.9
289.21649	1.4
290.07471	2.4
313.07144	17.6
315.19437	1.6
333.20688	26.6
343.08228	1.3
355.08282	4.0
371.09796	1.2
493.13593	6.6
527.00983	1.2
537.26703	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11946	1.2
59.01368	6.1
61.98835	3.4
71.01380	2.3
71.44385	1.4
72.97556	3.8
74.99091	18.3
84.95129	1.6
89.02448	4.3
92.76101	1.5
101.02425	2.5
118.98088	100.0
139.82178	1.3
149.04530	4.1
161.02412	2.9
176.04794	1.7
179.03505	3.7
187.79942	1.5
194.05923	2.1
209.08183	2.4
243.64359	1.2
481.70908	1.3
537.20929	10.2
560.94525	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	537.1826
Annotation	6'-O-alpha-D-glucopyranosylloganic acid
Peak:m/z	Relative Intensity
51.83767	0.5
55.01872	1.0
57.03444	2.7
59.01378	12.6
61.98822	1.4
69.03455	38.1
69.86481	0.5
70.92583	0.6
71.01379	13.5
73.02937	1.0
73.07740	0.5
73.55428	0.5
81.03465	0.6
83.01397	0.7
85.02950	14.4
87.00871	2.9
87.06382	0.6
89.02439	7.0
93.03458	1.1
95.01392	5.3
95.05026	17.5
99.00881	0.7
99.04527	4.9
101.02435	4.0
107.05032	7.4
109.06569	1.1
113.02450	39.6
114.02798	0.7
119.03496	1.5
125.06073	2.7
133.06638	1.2
143.03438	1.0
151.07645	5.5
161.04555	1.7
168.54367	0.6
169.08710	10.3
179.05653	0.6
190.80075	0.5
213.07687	12.0
325.64554	0.5
357.11890	2.3
359.09283	0.6
382.27170	0.6
537.18231	100.0
538.18707	4.3
560.53845	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28535	0.7
57.03432	2.8
59.01382	24.1
61.98827	1.5
62.59549	0.7
67.01845	1.0
69.03459	38.5
71.01382	24.9
73.02943	2.1
81.03457	2.2
83.01391	1.7
85.02954	23.2
87.00871	1.4
89.01933	1.3
89.02444	17.5
95.01390	8.8
95.05006	3.7
99.00872	3.4
99.04508	2.5
101.02455	6.3
105.03449	0.9
113.02451	46.0
114.02757	0.9
119.03493	3.4
121.02946	1.5
121.06602	8.1
125.02442	1.9
125.06069	2.2
131.03453	1.8
143.03487	4.2
149.04575	2.1
151.07666	7.9
161.04552	4.9
169.08740	2.5
179.05673	3.0
195.06610	6.0
221.06606	1.2
233.35371	0.8
323.09918	1.6
327.12390	1.1
357.11636	0.8
537.18250	100.0
537.25128	4.2
538.18353	4.5
541.74292	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68959	1.1
50.93420	1.3
57.03444	1.1
57.85736	1.1
59.01380	100.0
60.25151	1.0
61.96280	1.1
61.98816	1.8
62.34782	1.1
71.01378	21.4
71.42818	1.1
73.02953	13.1
74.02470	3.1
78.91889	1.4
80.91683	28.7
83.01412	2.3
85.02965	3.5
89.02448	6.6
99.00679	3.8
99.92612	3.4
101.02450	8.0
113.02440	6.2
117.00436	1.5
119.03505	2.7
129.92285	1.1
134.75652	1.0
141.00554	3.2
141.01695	70.7
143.03468	1.3
149.04558	2.2
153.01712	15.9
155.03293	5.1
161.04517	1.4
163.04041	1.2
168.30977	1.0
180.06737	6.3
181.06931	2.7
183.02774	3.4
201.03819	4.3
391.15881	1.3
451.18335	12.2
537.25244	9.4
537.32941	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	537.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.4
57.03441	0.7
58.00583	1.6
59.01376	100.0
70.71844	0.6
70.72186	0.7
71.01378	55.2
72.99317	1.6
73.02943	1.5
83.01376	2.0
85.02953	8.0
87.00871	4.0
89.02440	84.5
95.01369	2.5
101.02435	28.1
108.02137	0.6
109.02961	0.7
113.02445	21.3
117.03452	0.7
119.03501	30.4
123.04521	1.3
125.02494	0.8
131.03493	3.7
134.03719	0.7
135.04477	1.5
136.01674	0.9
143.03499	6.5
145.02933	7.2
146.03731	25.3
147.04532	2.7
149.04543	2.8
150.03143	0.5
151.03972	1.3
152.50917	0.6
161.02467	4.6
161.04518	5.2
161.06044	6.9
162.03221	33.1
163.03973	0.9
164.04793	14.7
165.05414	0.6
177.05565	32.4
178.06073	0.6
179.05550	13.5
179.07086	26.0
180.04216	2.0
187.03954	1.1
195.06631	4.2
202.06276	0.7
211.26425	0.5
279.06598	0.9
295.09689	0.6
309.07568	0.6
323.09326	0.7
324.10040	1.2
325.48825	0.7
327.12314	0.6
339.12396	11.3
357.11618	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	537.211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32452	7.5
56.62659	7.0
58.43229	6.9
59.01382	47.8
59.94131	6.9
61.98825	7.9
69.13798	44.2
71.01379	25.5
73.02976	7.8
74.67115	7.8
89.02435	44.2
93.25528	7.3
101.02425	26.9
102.98609	37.5
129.23987	8.5
131.03496	10.1
133.07660	7.2
149.04564	53.7
153.01884	30.5
168.04305	16.3
168.82813	7.6
179.03487	10.2
191.05663	8.9
209.02721	12.0
221.06584	9.0
239.03758	43.6
537.21063	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	537.2108
Annotation	11beta,12alpha-Diacetoxycedrelone
Peak:m/z	Relative Intensity
56.79500	4.8
59.01381	40.3
69.17719	31.5
71.01370	25.0
73.02941	6.3
73.69604	5.0
89.02448	59.3
94.44134	5.3
99.00873	7.6
101.02442	24.8
112.65969	5.3
118.98138	11.3
131.03531	12.8
149.04564	70.7
191.05653	17.7
213.78583	5.2
221.06689	11.0
311.09891	9.5
326.86432	5.0
438.72415	6.2
537.21161	100.0
538.21796	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	537.2108
Annotation	11beta,12alpha-Diacetoxycedrelone
Peak:m/z	Relative Intensity
58.03010	8.3
59.01382	80.2
61.98823	12.8
69.27777	45.5
71.01363	11.7
73.02945	8.8
75.00854	9.9
87.22861	7.8
89.02438	53.7
101.02431	26.5
117.56587	7.1
143.03477	7.7
149.04538	44.5
150.79353	9.1
250.99518	8.7
251.07828	8.1
293.38577	7.4
297.60962	8.4
300.03436	7.4
333.20618	10.7
537.20721	100.0
537.27728	20.3
557.47760	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	537.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.6
59.01379	98.0
69.03449	4.1
69.45138	12.5
71.01389	49.4
71.04998	3.8
72.11739	2.4
72.99305	3.9
73.02948	34.0
73.94554	2.8
78.95897	5.9
83.01372	15.3
83.05024	2.9
85.02948	22.3
87.00858	7.1
89.02439	30.5
95.01488	2.8
97.02942	5.8
99.00836	3.4
101.02449	62.9
103.04015	16.6
104.64084	3.7
112.46909	3.2
113.02429	16.1
115.04007	4.7
119.03516	13.6
125.02423	10.6
131.03508	5.2
143.03506	10.2
145.05072	6.9
153.01729	2.9
161.04549	8.6
162.01094	2.6
163.06136	71.8
172.30878	3.4
186.74826	3.1
205.07191	15.1
227.89594	2.8
245.93787	2.8
247.08305	3.3
249.80020	3.1
265.09283	6.3
307.10385	6.2
331.17560	29.4
477.23474	100.0
478.23682	3.7
537.36218	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	537.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.0
57.03440	4.1
59.01379	100.0
62.29669	1.8
63.13125	1.8
69.03457	3.6
69.71474	7.7
71.01382	50.1
73.02939	30.2
78.95898	2.7
81.03441	2.3
83.01387	12.8
85.02955	18.8
87.00871	7.9
87.04526	9.2
89.02443	28.5
93.69674	1.8
95.01339	2.9
97.02962	5.6
98.21953	3.6
99.00896	5.4
101.02447	62.5
103.04013	17.8
113.02438	13.1
115.03998	5.7
119.03481	14.9
119.04188	1.7
120.99648	7.7
125.02419	12.2
127.04031	3.0
131.03464	5.2
143.03526	9.9
145.05086	7.6
152.25131	1.9
159.02872	2.4
161.04604	9.7
161.05827	2.0
163.06123	56.7
169.12270	2.1
205.07175	18.4
229.07109	3.2
247.08237	5.8
265.09286	7.7
307.10345	7.7
331.17618	16.5
363.25854	1.9
375.59872	2.0
409.40842	1.9
438.83215	2.0
439.84244	1.9
472.16122	2.1
477.23392	72.1
478.24063	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2837
Annotation	Vielanin D
Peak:m/z	Relative Intensity
56.97719	11.2
59.01362	35.4
60.85970	11.5
61.98822	17.0
69.19348	29.0
69.19749	57.6
71.01400	16.5
85.02959	12.1
102.98564	19.7
118.39195	11.2
153.01923	46.2
158.93837	12.8
161.02425	21.7
168.04271	39.1
179.03502	29.4
184.59088	12.2
207.01233	18.8
209.02754	35.1
239.03868	70.8
537.28192	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	537.307
Annotation	Integristerone A 25-acetate
Peak:m/z	Relative Intensity
59.01380	100.0
61.98845	0.4
69.09980	1.9
71.01391	1.3
85.02970	0.8
88.75910	0.4
98.63525	0.3
101.02446	0.8
113.02500	0.5
161.04556	0.8
206.43318	0.4
242.00314	0.4
477.29022	0.8
495.29874	1.1
537.25409	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3283
Annotation	Virenamide A
Peak:m/z	Relative Intensity
50.71499	4.9
57.27943	3.8
59.01384	81.9
61.98829	12.1
65.12647	3.6
69.88443	11.5
71.01391	16.5
73.02950	8.8
78.95924	8.2
83.01412	4.6
85.00430	3.6
85.02943	9.7
87.00862	5.4
101.02465	13.0
101.18324	4.3
110.10307	4.2
111.00906	8.2
113.02453	9.6
146.75475	4.2
152.31996	4.7
171.69569	3.9
315.25211	5.0
315.39767	4.6
477.34335	13.1
525.18121	4.8
537.33276	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	537.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93747	0.5
60.27961	0.6
61.98818	0.7
69.16064	4.0
78.95902	15.2
107.78674	0.6
114.78159	0.5
152.99545	4.3
168.04335	3.1
224.06964	7.3
242.07974	1.3
255.23289	100.0
256.23627	2.5
274.61667	0.6
282.25366	0.7
379.87625	0.7
409.23544	0.8
409.38461	0.7
466.61993	0.6
480.30957	90.2
481.31500	3.4
481.37576	0.7
496.77786	0.7
537.33087	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33567	1.0
61.98818	1.5
69.31936	1.9
69.32350	4.0
78.95905	6.4
80.64800	0.8
96.96003	0.9
152.99567	5.0
168.04306	1.4
170.26665	0.9
224.06764	1.4
242.07951	1.8
255.23286	100.0
256.23587	2.2
279.23352	1.9
329.36734	1.0
480.30920	42.9
481.30551	2.4
537.13525	1.0
537.33588	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	537.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.16263	3.0
69.18974	5.4
69.19373	15.4
69.34189	3.3
78.95896	5.7
81.62567	3.2
162.06888	28.7
165.06310	3.4
170.03580	4.0
177.09200	41.8
265.36465	3.7
340.41992	3.6
477.35864	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	538.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65773	0.5
57.73323	0.5
58.94927	0.5
59.01373	1.3
61.98829	100.0
62.02748	0.5
69.03446	0.9
69.37309	1.4
69.37714	1.6
71.01402	0.8
85.02964	0.9
89.02479	0.6
93.23806	0.5
97.66564	0.5
98.22597	1.3
111.65470	0.6
113.02451	0.8
134.03702	0.5
167.03558	1.7
169.20477	0.6
231.65865	0.6
377.12631	0.7
504.97794	0.6
538.18707	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.5
62.10673	1.6
66.85435	1.9
68.34895	1.9
70.03340	1.9
70.36560	4.2
73.39074	1.8
85.65469	1.9
100.35009	1.8
101.02443	2.0
108.55606	1.9
120.01257	100.0
121.98502	2.0
135.57898	2.1
185.54581	2.2
226.23769	2.1
232.70099	2.3
243.88531	2.1
538.27887	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	538.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99199	1.2
59.01381	2.9
61.98819	1.3
65.50291	1.3
70.66346	2.1
73.67795	1.4
89.02402	1.4
119.11846	1.2
120.01254	100.0
196.83981	1.5
251.36299	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35593	2.3
59.01384	35.6
71.01389	29.8
72.99300	7.7
73.02943	3.9
78.95917	6.9
85.02945	5.7
87.00871	9.6
89.02449	41.2
92.27768	2.1
92.92783	3.5
94.92504	5.3
101.02445	19.8
102.78838	2.0
108.90202	4.0
110.89916	4.3
111.00874	5.2
113.02455	14.1
119.03496	5.5
131.03500	2.2
143.03496	4.7
160.74179	2.5
161.04547	5.9
170.97028	6.5
179.05620	40.3
209.66045	2.5
221.06682	23.4
244.90161	8.4
281.08798	4.2
323.09979	4.7
341.10944	7.5
342.86313	2.2
377.08466	21.2
378.78232	2.3
503.16211	100.0
539.13831	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.0
69.97724	3.2
71.01015	2.0
71.01385	28.5
73.02946	4.0
83.01405	1.5
85.02937	4.4
86.61964	1.5
87.00887	9.2
87.19112	1.3
89.02441	40.1
95.01348	1.7
97.02956	2.1
101.02448	22.8
103.10625	1.4
110.83009	1.4
111.00896	6.0
112.01208	1.6
113.02455	14.7
119.03522	8.8
143.03526	2.4
151.00073	2.8
161.04581	8.5
179.05603	36.9
194.98964	2.8
195.99469	1.8
196.99461	1.6
221.06668	25.8
281.08853	2.3
323.09714	5.3
341.10721	6.5
349.87866	1.4
377.08530	17.5
383.12064	2.1
389.50558	1.5
391.06726	1.4
437.30206	1.3
503.16156	100.0
504.16431	2.0
539.13855	64.2
540.13867	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	539.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
69.13957	5.1
98.22621	1.9
119.67329	1.2
120.99660	100.0
121.99963	1.2
126.11147	1.0
150.96503	0.9
217.00255	2.3
241.05399	1.8
254.99269	1.1
352.13647	1.0
418.18753	1.1
539.24835	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	539.177
Annotation	8-Feruloylharpagide
Peak:m/z	Relative Intensity
50.96085	0.8
59.01352	1.1
70.01017	2.2
70.01386	1.3
71.01380	1.1
83.01378	2.6
96.96035	1.3
109.14176	0.8
111.00889	4.1
112.98786	1.2
123.00888	10.1
124.01685	2.0
127.00359	3.8
136.98776	2.7
137.02435	2.3
138.02203	1.7
138.03221	24.9
139.00369	31.5
139.03990	2.7
141.01923	1.3
151.00330	3.5
151.04007	3.8
153.01924	6.4
153.05573	9.5
154.02711	1.1
166.02682	6.6
174.17603	0.8
177.01938	6.8
178.02695	2.8
192.04268	3.7
193.04985	3.7
205.81938	0.9
245.04498	0.9
257.04593	0.9
273.03925	1.3
285.03946	1.1
289.06876	1.2
296.92029	0.9
301.03516	2.0
316.05750	2.5
317.06641	11.2
331.08130	3.9
332.08994	19.2
344.50574	0.9
346.10541	1.1
347.11340	55.5
348.11548	1.1
356.18341	0.8
361.02606	1.0
377.12396	100.0
378.12610	3.4
509.16434	5.6
539.17560	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	539.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.6
59.01381	6.2
61.98826	3.6
66.31529	1.3
69.84470	2.1
69.84837	2.8
71.01385	3.5
82.95390	2.5
87.00881	1.4
89.02453	1.6
111.00844	3.8
122.84177	1.3
123.00908	8.3
124.01641	5.1
127.00401	3.1
136.98766	3.7
137.02448	17.0
138.03236	20.4
138.99306	1.9
139.00377	32.4
139.04018	14.3
150.03145	1.5
151.03996	2.5
153.01961	7.4
153.05534	10.4
154.02678	2.3
163.00389	8.7
164.01118	5.3
165.05519	1.8
166.02742	5.3
177.01935	1.4
178.02611	1.6
179.72385	1.4
193.05051	2.5
217.00244	2.0
271.02179	1.8
317.06674	16.2
332.09048	16.8
347.11380	46.1
359.07471	1.4
377.12418	100.0
378.12613	1.8
429.25177	1.6
476.99872	1.6
487.34131	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88757	1.6
57.03438	3.3
59.01380	100.0
61.98822	5.1
69.06606	5.7
69.07024	3.3
71.01381	17.0
73.02951	7.4
73.46523	1.4
78.91891	1.7
80.91675	17.2
83.01395	1.7
85.02961	6.9
87.00880	1.7
89.02441	5.6
99.00890	2.1
101.02444	12.1
113.02413	7.0
114.89226	1.4
119.03448	1.5
125.00902	1.5
129.28906	1.5
137.09660	1.4
141.00578	2.1
141.01707	66.3
161.04587	4.0
172.19542	1.7
206.18146	1.5
209.15480	3.7
231.13606	1.8
249.13286	1.9
361.40314	1.6
364.84045	1.5
371.20633	6.2
393.18851	8.1
411.18304	2.1
413.21616	2.4
453.20367	22.5
454.13168	2.6
479.26038	1.8
497.27151	2.1
503.11215	1.8
539.27521	3.1
539.34192	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2264
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
59.01371	67.7
61.98822	32.3
69.13416	75.2
71.01385	34.8
71.85278	10.7
73.02953	13.5
75.20911	11.7
87.00858	15.4
89.02447	67.4
98.21941	20.8
99.00844	22.2
101.02428	36.6
115.30939	12.2
120.99712	13.2
131.03458	13.5
148.26479	10.9
149.04555	63.6
154.79015	14.5
199.32173	11.2
217.00400	12.4
221.06522	11.3
230.77411	10.5
416.16785	11.6
497.27197	13.8
523.72156	13.2
537.33856	12.1
539.22601	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	539.2265
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
50.35979	3.3
59.01377	51.3
61.98831	63.0
66.41105	3.4
68.59755	3.2
69.05638	20.4
71.01381	19.7
73.02946	6.6
81.54295	3.6
88.55219	3.8
89.02446	39.6
94.95259	3.5
96.95999	16.5
99.00862	8.6
101.02446	19.4
108.73665	3.6
113.02473	7.9
120.99640	4.6
127.33170	3.9
131.03462	7.4
149.04572	32.6
161.04590	4.3
191.05614	5.0
217.00221	4.5
306.08270	3.7
315.01645	6.4
345.27023	3.7
374.99133	7.1
477.10571	4.9
503.25067	35.3
539.14874	4.8
539.22565	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	539.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73412	4.8
61.87359	5.6
61.98830	34.1
71.05006	6.1
71.43041	5.7
78.95891	9.5
82.95400	7.1
95.95460	6.4
104.41647	6.0
193.21252	5.6
253.21661	6.4
279.23291	100.0
305.66794	7.3
315.56018	5.5
356.75049	5.6
476.27670	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.286
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
50.09875	0.7
53.53199	0.6
55.01885	1.1
59.01380	100.0
61.98830	1.3
68.79612	0.7
69.03458	1.4
70.92050	0.9
71.01384	25.4
72.99301	0.9
73.02946	39.4
81.03488	0.7
83.01386	9.9
85.02953	5.8
87.00887	2.0
89.02447	16.3
94.52056	0.6
95.01402	1.3
95.79428	0.6
97.02972	0.9
99.00880	1.8
101.02446	31.6
113.02450	10.9
113.03155	1.0
119.03513	6.5
125.02425	1.2
131.03508	1.8
143.03519	2.8
149.04544	3.9
156.13126	0.6
161.04587	8.7
179.05655	4.6
203.05615	0.9
217.00340	0.8
273.22272	2.2
291.23190	1.1
317.21286	4.6
335.22272	1.6
386.35144	0.8
446.55585	0.8
453.28534	0.9
479.26498	4.4
497.27637	2.9
509.20499	0.9
539.28571	35.0
540.28864	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2861
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
52.89108	0.3
55.01886	1.2
57.03448	1.2
58.00599	0.6
59.01379	72.3
61.98829	1.2
68.33279	0.3
69.03452	0.8
69.62811	0.4
71.01383	21.2
72.99328	1.0
73.02947	13.2
81.03457	0.5
83.01392	4.4
84.61839	0.4
85.02956	9.4
87.00873	1.8
89.02439	9.7
91.98154	0.3
95.01400	1.6
97.02955	0.8
99.00893	2.0
101.02442	17.9
111.00871	0.7
113.02451	9.8
115.03978	0.3
119.03500	2.7
125.02449	1.2
132.08794	0.3
143.03522	1.3
149.59996	0.4
159.02989	1.2
161.04538	3.7
174.98999	0.4
179.05522	0.5
186.68518	0.4
203.05333	0.4
241.14784	0.4
261.22235	1.6
273.22205	2.2
275.06567	0.5
275.20187	1.3
291.23206	0.9
303.23163	0.9
317.21201	2.6
335.22235	4.6
402.12921	0.4
435.27411	1.1
453.28568	4.5
454.28940	0.4
479.26443	9.1
479.32816	0.7
497.27563	8.0
498.27826	0.7
521.20947	0.5
539.28601	100.0
540.28906	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	539.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67780	0.3
53.27452	0.3
54.51600	0.3
59.01375	2.9
61.98829	0.8
69.74490	0.7
71.01399	0.6
73.02947	1.0
83.01392	0.4
89.02417	0.4
93.41673	0.3
101.02471	0.9
111.93658	0.3
137.29836	0.3
141.66263	0.3
178.62465	0.3
195.38829	0.3
217.00293	1.0
335.22272	100.0
336.22549	3.5
374.99466	0.4
377.23459	0.4
479.26495	1.2
497.27426	0.8
539.28638	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	539.286
Annotation	Phoenistatin
Peak:m/z	Relative Intensity
50.84690	1.1
57.01762	1.0
57.08220	1.1
59.01379	100.0
61.98828	1.7
66.55193	1.0
70.12852	1.1
70.56783	1.2
71.01385	23.4
72.99261	1.2
73.02941	11.6
79.06011	1.1
83.01400	5.8
85.02951	12.3
85.40849	1.2
87.00878	2.0
89.02029	1.0
89.02457	12.3
95.01377	3.3
96.05352	1.2
99.00873	2.6
101.02438	23.8
111.00854	1.3
113.02443	11.5
115.01870	1.0
119.03519	6.3
125.02385	1.3
138.39470	1.1
143.03468	1.6
152.99486	1.5
153.10364	1.2
161.04556	6.2
171.10432	1.1
172.06561	1.0
179.05614	2.6
179.47546	1.0
217.00336	3.6
228.08623	1.1
273.22232	5.0
317.21011	1.7
335.22128	2.5
374.99228	2.1
435.27542	1.5
453.28574	10.7
479.26563	20.8
497.27631	8.3
539.28601	78.2
540.29211	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	539.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90958	0.4
59.01379	100.0
61.98825	2.1
62.02891	0.5
69.18354	2.7
71.01381	3.8
73.02940	1.9
82.95425	0.6
83.01381	1.0
84.95113	2.8
85.00450	1.9
85.02964	1.6
89.02465	1.9
101.02437	3.6
112.98842	0.5
113.02450	1.5
139.13513	0.5
152.48990	0.6
160.24767	0.5
161.04596	1.6
167.59735	0.5
181.81819	0.5
191.67909	0.5
217.00349	0.7
219.03157	0.5
245.24045	0.5
290.40683	0.5
335.22290	4.6
352.51395	0.5
374.99417	0.6
479.26785	1.6
497.26785	0.9
497.32095	0.7
510.14597	0.6
539.28088	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	539.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
65.98366	0.7
77.26096	0.7
84.95120	4.8
85.00445	5.7
85.17329	0.6
86.40246	0.7
86.95503	0.8
87.00877	100.0
96.95995	1.1
119.05031	1.1
217.00323	0.9
425.05637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89650	0.5
51.99942	0.4
59.01362	0.7
61.98829	82.9
66.71598	0.5
69.27757	2.6
86.89861	0.4
98.22607	0.9
112.61556	0.5
118.96184	0.5
125.02412	0.8
149.00897	0.6
151.00388	2.2
152.07191	0.6
179.03404	0.5
199.03961	1.6
201.01981	0.7
215.03473	1.2
227.03481	2.4
232.73085	0.6
242.02200	2.9
243.02959	20.1
255.03003	1.5
257.04535	6.4
270.01678	4.4
271.02460	24.5
272.02591	0.6
285.04031	13.2
286.04794	3.2
299.01956	8.9
300.02673	4.4
314.04303	43.4
315.05042	8.4
477.10370	100.0
478.10593	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	540.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87072	0.9
57.03449	4.2
59.01378	5.0
61.93319	0.9
61.98830	77.7
68.99815	1.0
69.24851	5.5
71.01392	1.0
71.25758	0.7
72.87122	0.8
74.97650	0.8
75.23055	0.9
78.91891	2.2
81.03452	1.7
83.01381	7.1
87.00851	1.3
98.36575	1.0
101.02469	1.0
107.01433	0.9
112.98833	1.6
119.05036	3.8
120.99630	2.3
121.02959	1.4
123.04519	2.5
125.02450	100.0
125.56686	1.0
126.02789	1.0
127.22269	0.9
129.03952	0.9
135.04480	2.3
139.03979	1.2
144.12311	0.9
149.01126	1.9
149.02432	11.7
151.00359	1.5
152.07153	1.5
161.02431	1.3
167.03494	9.2
179.03522	3.4
189.05536	4.6
189.12234	0.9
191.03577	2.1
192.06506	1.0
192.66670	0.9
208.12503	0.9
243.02953	3.3
257.04553	1.0
270.01892	1.0
271.02530	4.5
280.96228	0.8
285.04028	2.2
286.04678	1.5
299.01907	2.2
300.02765	1.6
314.04327	8.2
315.05106	3.5
315.08685	30.9
316.09152	1.8
339.08713	7.5
355.13062	1.3
357.14355	1.8
477.09335	4.7
477.13837	22.4
478.14334	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02899	1.9
58.02975	14.2
69.46556	1.9
70.02966	7.4
70.80744	3.6
71.01398	1.8
72.00913	3.9
78.95892	2.1
87.00871	4.5
91.05544	7.9
96.96022	13.5
99.92548	2.6
109.02951	2.5
112.98800	5.8
116.92844	2.5
133.02988	2.9
135.04492	7.6
147.04552	23.3
161.02434	5.5
164.07172	54.0
168.43759	2.1
168.45264	1.9
179.03494	3.0
179.32405	2.2
197.97577	2.3
206.08221	100.0
207.08513	2.0
280.49792	2.1
306.50717	2.4
338.01553	3.3
374.58109	2.1
500.72546	2.6
500.95193	2.3
535.00531	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.6
59.01381	17.8
61.98830	12.4
69.27534	7.1
71.01376	3.8
82.95420	2.9
85.02953	1.3
89.02477	1.8
98.21933	2.1
101.02467	2.8
102.48735	1.2
113.02479	1.8
119.01358	1.2
143.99203	2.0
162.83946	2.1
179.05679	2.0
241.17659	1.1
261.22244	8.5
273.22269	5.6
289.21814	2.1
291.23303	2.1
335.22287	100.0
336.22614	8.5
416.04431	1.9
433.79184	1.3
497.27206	1.8
498.31854	1.5
541.30328	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	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16735	5.3
53.71283	6.5
59.01380	49.2
61.98832	48.2
71.01388	11.6
71.44370	6.6
71.85971	4.9
73.02937	6.0
78.95926	6.4
89.02493	6.3
91.27013	5.4
101.02463	5.6
112.98848	7.6
135.04539	7.1
153.52271	4.9
182.13982	5.1
294.59827	6.6
335.22278	100.0
336.22775	11.5
477.10181	6.4
497.27478	15.9
540.29004	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60928	2.2
59.01377	6.1
61.98829	3.7
69.03450	4.8
70.84961	2.8
71.05006	2.8
78.04372	2.6
84.00885	2.4
91.64127	2.3
113.02399	2.6
121.74781	2.1
168.72040	2.3
263.20081	2.8
335.22269	100.0
336.22482	4.8
362.36667	2.5
465.74438	2.4
540.28143	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	540.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87996	4.2
53.28994	3.7
59.01379	28.3
61.98825	15.5
63.42432	4.2
64.47692	3.6
69.39841	18.0
70.50813	4.1
71.01366	15.1
73.02911	5.1
85.02954	4.4
89.02439	7.5
101.02438	16.3
113.02446	14.1
119.03494	5.4
159.02939	4.0
161.04517	11.9
171.10164	3.8
181.54695	4.2
190.35997	4.0
292.32663	4.1
310.21643	4.1
335.22189	7.0
343.21152	13.6
451.18634	4.0
497.27557	100.0
498.28259	5.8
540.26544	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	35.7
59.32125	2.3
61.98835	10.7
65.58379	2.1
69.17310	14.6
71.01377	24.7
73.02951	6.9
79.63355	2.7
85.02961	7.7
89.02445	16.5
96.96020	5.2
98.21793	3.8
101.02448	20.4
102.24162	2.3
113.01806	2.2
113.02437	14.1
115.92022	3.0
116.92854	11.5
119.03493	5.4
151.87279	2.1
155.02592	2.6
161.04533	16.2
179.05611	5.3
237.50685	2.1
333.21008	2.4
335.22357	6.4
356.10620	2.4
497.27567	100.0
498.27719	7.0
540.28778	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	540.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49329	1.4
59.01373	15.3
61.98816	3.6
69.57126	5.8
71.01378	4.6
84.00893	2.8
89.02448	6.1
101.02467	2.6
106.31912	1.4
113.02488	2.4
119.03475	2.2
139.31004	1.5
179.05595	6.0
204.05067	1.8
222.56892	1.5
227.32901	1.5
261.22168	2.2
273.22232	13.4
291.23190	2.2
322.77991	1.5
335.22278	100.0
336.22623	2.6
377.23138	2.1
472.06979	1.8
474.29733	1.6
497.27603	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	540.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	70.6
61.98830	32.5
69.58377	16.3
70.47226	4.9
71.01367	16.2
73.02946	8.7
73.86119	4.5
75.07420	4.7
78.95902	6.1
83.12046	4.9
84.12894	5.1
85.02930	6.0
89.02410	11.3
89.47691	5.5
100.30442	4.9
101.02435	15.5
113.02459	10.5
114.81988	4.7
115.66953	4.7
128.27876	5.0
132.66859	4.6
178.74744	4.9
179.05588	6.3
188.79793	5.2
248.84529	5.9
273.22202	16.5
335.22269	100.0
336.22604	10.8
337.23694	6.9
395.93234	5.7
497.27524	16.8
540.28851	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52216	4.4
61.98830	100.0
65.98774	4.0
69.03239	4.1
88.13699	4.2
104.11736	4.0
152.99660	8.5
154.47108	4.1
160.84303	4.6
161.45876	3.9
175.68427	4.2
179.33582	4.9
239.10519	4.6
255.23294	18.0
285.60620	4.3
483.27237	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	541.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58431	0.8
54.71806	0.7
59.01371	1.1
61.98771	0.7
65.46375	0.7
96.96011	33.4
116.92864	4.2
132.56998	0.8
134.03696	1.3
144.98659	0.7
147.04518	0.8
149.00938	0.9
155.95445	0.7
160.68861	0.8
161.02461	1.1
163.00317	0.9
253.05110	1.1
255.03133	1.0
269.04489	0.8
270.05386	0.9
284.03271	1.7
296.03226	0.9
297.04105	11.1
298.04816	70.6
299.05338	3.8
309.03998	5.1
310.04794	1.5
311.05365	1.8
313.07281	5.2
325.03568	1.2
325.07346	1.2
330.03870	0.9
338.04391	1.1
341.06647	64.6
342.06998	2.1
344.05246	1.0
351.47974	0.9
353.06595	4.3
371.07700	23.6
371.12415	1.4
372.08551	0.8
383.07880	1.1
443.09964	1.3
461.10886	100.0
462.11401	4.9
541.06677	14.3
542.07037	1.0
548.54132	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52800	2.9
59.01360	9.0
61.95256	2.9
61.98832	6.6
71.01363	4.0
71.44833	3.5
78.23134	3.0
78.95897	3.7
82.95428	9.0
83.01389	5.6
87.00861	3.8
88.98801	19.7
96.96021	35.5
96.96964	7.5
105.61071	3.2
109.02949	7.8
112.98815	5.4
121.02949	4.2
125.02431	12.4
135.04506	5.7
137.02460	20.6
148.01718	4.0
149.00935	6.8
151.00372	4.4
153.01942	100.0
153.05544	4.4
155.25340	3.5
160.01678	6.1
161.02449	9.2
163.00320	10.3
163.03993	10.9
164.01161	22.7
164.29079	3.1
165.01935	13.3
178.02756	6.1
179.03458	6.8
193.05042	9.9
268.03818	6.9
275.09695	3.3
283.06085	7.4
286.04834	16.3
301.07166	52.9
315.07220	44.4
319.08517	5.2
363.10825	3.2
379.10968	6.1
443.19052	6.9
463.12576	8.5
481.14050	11.9
532.23236	3.5
541.15936	5.8
541.23340	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90543	1.5
57.01977	1.7
59.01390	8.6
61.98826	4.8
82.95415	2.2
116.60144	1.9
120.99659	100.0
152.07161	1.7
153.07486	2.0
165.10094	1.6
182.05075	1.9
203.60313	1.7
285.41824	1.8
393.27960	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	541.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	70.5
61.98832	7.2
67.53843	1.1
71.01389	3.1
89.02458	3.4
92.61261	1.0
97.81955	0.9
101.02453	2.3
113.02445	1.3
116.99015	0.9
119.03555	1.9
119.91173	0.9
134.53123	0.9
139.82938	0.9
161.04604	1.9
177.11705	0.9
179.05630	2.9
202.84724	0.9
310.31711	1.0
315.93634	1.3
319.22763	100.0
320.23135	2.1
416.12091	1.0
481.28354	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	541.3017
Annotation	Salvigreside C
Peak:m/z	Relative Intensity
57.03452	0.8
59.01379	92.9
61.98824	1.4
65.29971	0.6
69.03457	6.8
70.44463	0.7
70.68899	0.6
71.01379	3.3
71.05009	0.9
71.29413	0.6
72.99330	0.7
85.02964	1.1
88.66257	0.6
89.02438	5.8
101.02426	3.0
113.02415	2.8
119.03533	2.9
131.20021	0.6
143.03493	0.7
161.04568	1.7
179.05576	3.8
221.06839	0.7
247.20691	3.0
259.20648	1.8
275.23837	2.1
280.99338	0.6
287.16669	1.0
305.17551	2.2
318.12900	0.8
319.22769	100.0
320.22974	3.6
333.24075	0.8
344.78244	0.7
361.23734	1.2
541.27362	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33965	0.4
51.15838	0.3
55.43960	0.3
57.03467	0.3
59.01372	1.4
60.99305	14.5
69.21468	0.7
69.21872	1.1
71.01390	0.4
87.00870	1.2
88.00385	0.6
88.98804	100.0
89.02441	20.4
89.99125	0.5
178.55688	0.4
235.45250	0.3
313.48163	0.4
330.50711	0.3
387.20428	0.3
470.01346	0.4
541.28326	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74354	0.6
56.61335	0.6
59.01375	1.3
59.35001	0.5
61.98826	3.2
65.92414	0.6
69.12276	3.5
98.22617	1.2
107.01389	1.8
121.02976	1.1
123.00885	2.5
124.01653	3.0
125.02443	8.0
130.68408	0.6
136.98834	0.9
137.02441	1.8
139.00294	0.9
149.02431	2.1
161.02451	1.0
164.01160	2.6
165.01917	2.4
166.02713	1.8
168.00650	2.3
169.01428	7.3
177.01978	1.1
178.99742	0.7
179.03413	0.8
181.60265	0.6
190.02727	1.5
191.03436	1.3
192.00641	35.2
193.01418	52.8
194.02151	4.5
195.02969	0.9
204.06850	0.6
205.01399	1.6
206.02138	2.1
207.02985	10.7
211.02473	8.3
221.00885	1.3
222.01726	1.9
234.01686	6.0
235.02509	6.1
237.03952	1.1
249.04091	2.1
271.04605	2.4
312.04865	4.4
313.05640	4.4
327.07233	2.4
464.05920	1.2
479.08301	100.0
480.08646	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	542.188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50280	1.6
59.01381	100.0
64.91814	1.4
70.17708	3.1
71.01388	1.5
72.18425	1.5
75.22206	1.5
83.11472	1.8
83.29298	1.4
96.96014	2.4
122.03702	4.0
125.02386	2.3
138.60893	1.6
140.23119	1.6
150.05614	9.3
152.07179	47.5
153.01944	35.8
154.02715	1.9
167.03514	4.5
168.04271	19.5
169.05101	4.2
179.03441	2.0
196.60287	1.5
331.10327	31.4
410.88800	1.6
484.22763	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	543.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	3.4
61.98812	3.8
69.06529	5.2
71.01365	1.9
75.65137	0.7
80.91667	1.8
82.98180	0.7
85.02285	0.8
88.98811	1.0
96.96025	1.1
100.18846	0.8
116.92886	0.7
133.02983	1.5
134.03749	1.4
163.00343	1.4
241.04968	0.9
255.02954	1.2
269.04459	1.7
270.05090	0.9
284.03168	1.6
285.04065	1.5
296.03226	0.9
297.04034	12.2
298.04813	71.0
299.05399	3.6
309.04080	4.2
310.04874	1.4
311.05545	2.1
313.07092	6.5
325.03363	1.8
325.07062	1.0
326.04327	1.0
330.03857	1.8
338.03082	0.8
340.00449	1.0
341.06644	61.6
342.07126	1.4
342.98828	0.8
353.06644	3.4
366.81686	0.8
371.07718	18.9
380.03787	0.9
381.04526	1.7
383.08124	0.9
394.02130	1.0
423.05701	5.3
461.10889	100.0
462.11624	3.7
483.07907	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	543.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20324	0.5
59.01381	100.0
61.98834	4.3
69.03467	1.0
69.52505	1.7
71.01384	12.0
73.02951	5.6
80.91692	1.0
83.01385	1.5
85.02943	4.2
89.02444	4.5
95.01392	0.8
98.22647	1.1
99.00907	1.8
101.02447	8.4
113.02470	5.5
119.03504	0.7
120.72036	0.5
125.02460	0.6
131.03517	0.9
131.32121	0.5
137.19708	0.6
139.10538	0.6
143.03505	1.3
149.04556	2.6
159.03082	1.2
161.04559	14.6
162.04900	0.7
203.69133	0.5
209.11856	1.7
228.43143	0.6
253.09186	1.2
289.18161	2.0
301.47971	0.6
303.23172	1.0
307.19095	5.8
321.24179	3.7
381.89020	0.6
429.79282	0.6
483.29691	6.2
501.30838	1.6
543.29431	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	544.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20406	1.8
59.01379	86.2
61.98828	5.5
69.26958	9.5
71.01379	45.1
73.02953	17.1
85.02956	5.5
89.02446	100.0
97.02966	2.3
99.00885	34.4
101.02454	38.0
109.13474	2.1
112.55810	2.1
113.02444	6.8
125.02438	3.2
128.03555	2.6
131.03516	16.0
149.04555	88.5
161.04483	5.3
172.19554	2.0
183.22203	2.0
186.95381	2.2
190.02585	1.9
191.05615	21.5
211.11105	2.1
221.06662	9.9
251.07706	8.1
293.08838	2.9
301.64313	2.0
311.09729	6.4
544.28790	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	544.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27637	1.4
59.01376	72.2
61.98811	5.1
69.20502	1.3
69.68460	3.5
70.41952	1.4
71.01378	40.5
71.32829	1.6
73.02940	18.1
76.89429	1.4
85.02941	4.6
86.97133	1.5
89.02443	100.0
93.57687	1.4
98.21872	2.2
99.00880	31.8
101.02450	40.6
113.02450	6.4
114.66397	1.4
119.03477	2.6
125.02435	4.1
131.03508	20.9
143.03555	2.4
149.04556	89.5
150.04843	1.8
158.51549	1.4
161.04575	2.8
162.83696	1.4
165.29243	1.6
168.82149	1.4
191.05626	21.9
221.06683	8.3
251.07703	7.0
281.08685	1.5
293.08813	2.2
311.09695	4.1
456.22302	1.7
539.41254	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20651	1.1
59.01380	100.0
60.01701	3.7
61.98826	17.9
70.07352	1.1
71.01382	23.5
73.02946	9.3
76.56606	1.0
85.02945	4.7
89.02448	46.2
89.03004	2.3
96.96008	2.1
99.00878	12.3
101.02440	23.5
102.05609	1.2
113.02437	8.7
119.03496	2.6
125.02442	2.1
131.03497	8.2
132.36816	1.2
141.24475	1.0
143.03462	2.5
149.04559	41.9
161.04573	9.1
179.05600	1.2
188.26114	1.4
188.56581	1.3
191.05682	6.2
193.06570	8.8
221.06700	4.1
227.43643	1.4
251.07713	5.0
293.08826	2.4
307.19055	1.8
308.19412	4.7
309.20758	1.8
311.09695	5.0
484.29831	4.2
501.30713	2.9
502.30933	1.9
544.28442	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	544.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48465	2.2
61.98832	100.0
64.83696	2.6
69.22366	2.1
76.24435	2.0
77.44782	2.2
89.43562	2.0
156.46068	2.1
159.57320	2.2
177.66513	2.1
179.27251	2.2
189.42307	2.3
205.47556	2.3
263.90295	2.3
379.31958	2.4
407.53568	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	544.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	18.9
61.98838	100.0
69.07951	98.9
96.96009	41.6
142.18765	15.1
194.62939	15.4
215.55040	14.2
225.07489	16.6
316.23334	19.5
320.38858	18.3
501.31110	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82430	0.2
54.54938	0.2
55.16296	0.2
59.01371	0.7
69.23865	0.9
71.01382	0.4
73.86463	0.2
76.52732	0.2
76.92971	0.2
79.95724	2.6
84.47748	0.2
87.00882	0.3
89.02444	0.5
96.96011	100.0
101.02473	0.3
111.64927	0.2
135.04552	1.0
136.04857	0.4
149.00912	1.3
149.04539	0.3
153.17882	0.2
179.03499	0.8
180.03813	0.3
206.69740	0.2
250.01456	0.2
251.02138	0.4
312.04276	0.2
327.05002	0.4
340.99341	0.3
383.00797	0.9
395.00891	0.2
425.01950	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	545.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
58.12978	1.1
59.01363	2.9
59.12778	1.1
60.17745	1.2
74.47520	1.2
78.44610	1.2
80.91679	3.3
82.95421	3.3
96.96008	3.2
107.01394	2.4
109.02976	1.5
117.03459	1.3
120.99658	1.5
121.02925	2.4
128.03516	4.4
136.01659	4.2
141.25755	1.1
145.02957	9.0
146.08221	2.0
148.87407	1.2
151.00372	11.6
151.03987	5.3
163.00351	2.4
178.99858	5.3
186.12473	1.9
189.00378	2.3
200.16994	1.3
211.03851	1.8
227.03508	2.0
241.11943	1.3
242.87289	1.2
243.02979	5.5
245.04482	1.4
252.06731	1.5
254.02280	1.4
255.00725	1.9
255.03026	18.4
271.02472	40.9
272.03036	1.3
300.02750	84.6
301.03506	38.5
301.06155	0.8
323.00815	1.2
341.01553	9.4
351.49146	1.1
353.01447	1.6
355.41342	1.3
372.19876	1.2
382.01688	1.7
383.02570	22.3
423.15939	4.4
463.08804	100.0
464.09174	4.2
485.05658	4.4
544.26117	2.6
545.26123	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90169	1.0
55.25962	1.0
59.01385	1.3
61.98830	2.6
66.56593	1.0
69.29015	1.2
71.42968	1.4
78.95900	18.9
96.96952	2.8
125.03569	100.0
130.01797	1.1
162.83856	1.3
176.99632	1.7
195.00641	10.9
204.62245	1.3
275.03110	1.2
293.04318	2.4
321.04846	2.9
348.07861	1.2
379.22250	1.1
419.08527	12.3
545.12927	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	545.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62643	0.9
54.02589	0.9
61.98824	3.5
71.01382	6.8
71.29341	1.2
71.33496	0.9
77.05322	1.0
78.95902	100.0
84.93882	1.9
94.99035	1.5
96.96014	2.2
96.96949	1.9
98.95531	1.5
99.92583	32.6
100.93348	9.7
110.98524	19.9
115.92095	10.6
116.92861	17.7
117.93661	2.1
148.91000	2.4
150.97990	1.6
151.01630	4.6
152.99614	1.8
153.73076	1.1
154.94415	2.3
155.95200	1.0
158.28275	1.3
163.89685	8.7
164.90521	17.6
164.99574	7.5
167.01129	12.7
172.95428	1.7
178.88426	30.4
178.92039	2.4
179.89221	28.1
180.90007	25.1
181.90779	10.3
193.89001	2.3
193.90778	47.6
194.91562	23.5
195.92258	3.9
196.89481	84.3
197.89500	1.5
206.91496	1.5
210.91020	8.4
235.91818	2.9
236.92606	2.4
248.92570	5.0
249.93434	4.5
250.94171	10.1
252.92087	3.9
266.93628	6.9
267.94434	5.8
277.21722	5.4
377.14279	1.6
378.57190	1.0
458.08276	1.5
497.14240	1.7
509.14297	1.9
527.15088	26.4
541.12640	6.6
545.16101	89.2
546.16437	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	545.203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26722	1.5
57.03450	3.0
59.01378	19.7
61.98828	5.6
63.00192	1.3
69.03468	3.2
69.68930	4.3
71.01374	3.3
71.05014	2.8
72.99339	1.4
77.87492	1.3
84.99273	2.2
85.02948	1.5
85.67489	1.3
87.00883	15.0
89.02433	2.0
97.02929	2.5
97.06667	1.6
99.04523	6.4
101.02467	2.8
103.00366	7.1
107.05044	3.4
109.02953	2.2
111.00822	1.4
112.98821	33.4
113.02477	1.9
130.99892	3.9
133.02974	3.0
134.03745	6.2
135.04529	100.0
137.02481	1.7
139.00346	1.6
140.92679	1.3
142.94476	2.3
161.02481	7.4
161.04530	2.5
163.04059	3.3
177.05695	1.5
179.03496	75.2
191.03528	2.8
195.14046	1.5
219.02972	12.2
251.16524	90.2
253.09248	8.9
267.17599	1.8
291.19708	5.7
293.03146	12.8
298.58011	1.5
309.20703	20.0
328.13916	1.5
383.17123	60.7
384.17484	2.0
384.65668	1.5
538.83917	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
57.03441	1.6
58.59549	0.4
59.01383	15.0
61.98824	1.7
69.34296	1.8
69.34685	0.9
71.01381	13.4
72.99282	1.0
73.02948	5.0
75.00897	0.5
78.93797	0.4
80.91162	0.5
83.01387	2.9
84.99336	0.9
85.02959	7.9
87.00877	8.2
88.98799	2.5
89.02434	3.7
95.01394	1.7
99.00867	2.8
99.04494	0.8
101.02442	9.1
112.98811	13.6
113.02452	5.9
119.03530	0.7
120.94439	0.5
125.02512	0.5
125.39332	0.4
129.02014	1.0
133.02985	0.6
157.04622	0.5
161.04539	1.1
235.17020	7.5
235.19188	0.7
251.16530	3.6
284.59503	0.5
323.22345	1.8
413.21796	100.0
414.22205	3.1
459.08774	0.9
545.22400	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2522
Annotation	Isomorellinol
Peak:m/z	Relative Intensity
59.01379	52.6
61.98837	18.2
69.03468	18.5
71.01395	21.1
71.44888	20.2
77.57217	10.3
87.00893	14.1
89.02444	12.3
95.13563	11.5
96.96013	28.0
101.02468	22.6
115.24136	13.2
135.04512	17.3
161.02380	13.4
179.03552	15.5
185.00816	10.6
252.06744	18.9
545.25195	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	545.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	15.4
61.98820	5.8
71.01382	6.2
76.01456	1.3
77.14377	1.2
78.91073	1.2
85.02942	1.7
87.00859	2.1
89.02446	3.6
97.06635	1.5
101.02452	7.8
103.47148	1.3
112.98781	2.6
113.02430	2.5
115.28425	1.4
125.09729	1.8
130.82872	1.7
135.04492	5.0
161.04504	2.3
163.11298	3.1
165.12830	4.6
171.10274	2.6
179.03511	3.9
181.12268	1.6
223.13269	1.9
247.20602	5.9
251.16454	2.2
253.09280	26.0
273.18777	2.3
291.19669	77.6
292.19952	2.4
309.20724	100.0
310.21057	2.1
383.17218	3.0
527.82764	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.6
61.98828	10.9
65.19101	0.6
69.03435	0.6
69.29129	3.1
71.01383	6.5
73.02928	0.9
74.13241	0.6
78.67791	0.5
85.02941	1.3
87.00895	1.1
89.02451	4.8
90.31506	0.6
95.05040	0.7
97.06606	0.8
100.50730	0.5
101.02441	5.5
113.02451	2.5
113.09714	1.3
114.69667	0.6
115.07629	1.3
119.03499	1.6
128.19479	0.6
139.11296	0.7
141.09245	0.8
143.03560	0.8
161.04546	2.8
165.12843	2.6
167.14369	2.0
179.05630	1.4
181.12347	2.8
183.13908	0.9
193.12285	1.2
195.13829	1.3
208.36505	0.6
211.13426	2.9
221.15501	2.4
247.20616	3.6
253.09273	18.7
265.21735	0.7
273.18680	3.4
281.21213	2.1
291.19656	31.9
309.20712	100.0
310.20877	3.0
405.43683	0.6
424.55502	0.7
463.26685	0.6
545.29645	17.4
546.30206	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06350	0.6
53.10821	0.6
54.67385	0.5
59.01381	100.0
61.98827	5.4
69.57030	2.4
71.01379	5.4
73.02957	2.2
83.01395	1.5
85.02956	2.6
89.02457	0.6
92.97379	0.6
96.96038	0.7
99.00908	0.7
100.06615	0.6
101.02434	4.0
112.98861	0.9
113.02482	2.4
159.03011	1.0
161.04546	3.9
242.14584	0.6
253.09306	0.9
277.03638	0.7
279.09711	0.7
309.20752	1.1
323.25772	0.8
485.31171	15.6
486.31412	0.7
503.32355	0.9
509.29398	1.2
529.30176	1.3
543.45947	0.6
545.33154	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	545.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84985	2.6
59.01381	100.0
61.98833	14.2
70.57079	4.2
71.01382	18.8
73.02950	7.7
76.55292	2.9
83.01383	4.2
85.02944	8.6
87.00919	2.3
89.02406	6.2
101.02456	15.9
112.98810	12.0
113.02452	8.8
118.96951	3.1
119.05014	9.2
161.04594	10.4
163.03975	13.7
179.05640	3.3
203.03497	5.8
267.16031	3.4
277.03510	7.1
282.80432	3.0
296.25140	2.4
347.18436	4.1
485.06369	3.0
485.31168	52.4
486.31732	4.9
565.58423	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22138	1.3
59.01379	100.0
61.98830	2.9
71.01392	8.1
71.45490	1.3
73.02971	1.8
85.02942	3.2
89.02451	8.8
101.02459	4.4
113.02444	3.3
119.03472	2.3
144.68420	1.5
161.04546	6.2
179.05666	7.4
209.71927	1.7
308.01208	1.7
339.18118	1.5
373.16074	1.6
391.09860	2.8
428.11926	1.4
485.31000	6.3
545.19971	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02868	1.0
59.01380	100.0
59.58095	1.1
61.98824	13.6
69.45137	4.1
70.22976	1.1
71.01384	14.6
73.02964	2.1
82.95414	1.5
85.02946	2.4
87.00866	1.1
89.02450	20.2
93.70422	1.1
93.94153	1.1
98.22627	2.4
101.02477	8.2
101.03062	1.8
111.47739	1.1
113.02449	7.3
119.03499	9.7
119.04943	1.2
131.03476	1.4
140.28961	1.1
143.03528	2.8
149.04489	2.0
161.04556	5.1
179.05605	15.4
228.82079	1.2
291.19571	3.6
299.20868	1.1
308.19327	1.2
309.20682	9.6
355.16205	1.2
365.74860	1.2
485.31247	11.7
545.28815	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	545.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43585	0.5
57.03460	0.8
58.00586	1.0
59.01379	35.3
71.01378	6.0
72.99313	0.7
78.53076	0.5
89.02446	19.3
91.04007	70.6
155.35835	0.6
171.88159	0.6
220.99353	0.5
271.49780	0.6
307.29962	0.5
333.31586	1.2
335.33188	100.0
336.33362	3.9
353.34253	1.7
379.32159	49.5
380.32541	2.3
397.33194	54.8
398.33557	2.6
399.63940	0.6
453.35855	27.5
454.36206	0.8
471.36908	42.2
472.37286	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64275	0.3
59.01361	0.3
70.10618	0.7
70.83775	0.3
86.71116	0.3
87.00879	0.4
89.02450	0.3
93.49455	0.3
96.96001	0.3
102.46849	0.3
112.98793	0.8
131.00183	0.3
135.04517	1.2
149.00851	0.5
159.03270	1.2
161.02501	0.5
163.04022	0.4
168.08356	0.3
179.03497	1.1
196.07713	0.5
206.06041	0.3
219.02872	0.3
222.05545	1.2
223.06273	1.7
224.07141	4.6
234.05530	1.0
250.05046	2.2
251.05862	9.2
252.06648	100.0
253.06882	2.2
293.02936	0.4
294.07809	0.5
300.23166	0.3
414.12164	0.4
546.16162	55.2
547.16553	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	546.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36691	0.2
52.87767	0.2
58.05018	0.2
59.01374	1.2
61.98829	100.0
69.21758	0.2
69.34850	0.5
69.35266	0.8
71.01379	0.5
89.02464	0.4
101.02435	0.3
105.26221	0.2
108.32351	0.2
111.00909	0.2
112.98816	0.6
117.66710	0.2
128.12436	0.2
134.03680	0.3
149.04555	0.3
192.06677	0.4
204.82350	0.2
467.03937	0.3
510.06329	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.8
61.98830	14.5
64.01614	2.8
70.45376	3.2
70.45715	3.7
71.01385	42.9
73.02966	15.3
79.63299	2.5
85.02943	5.5
89.02441	100.0
97.93694	3.0
98.22601	3.5
99.00892	24.8
101.02451	31.8
101.37808	3.3
107.03964	3.0
113.02470	3.6
117.75202	2.8
119.03466	3.8
125.02436	3.9
131.03511	22.5
149.04565	83.7
155.83525	2.9
191.05617	13.3
219.82393	2.8
221.06648	8.0
251.07664	10.2
293.08932	3.3
311.09747	5.7
443.43304	3.2
510.04916	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	547.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18562	1.1
59.01376	100.0
61.98822	4.8
71.01380	58.3
72.99311	2.1
73.02969	1.3
74.48449	1.4
83.01368	2.2
85.02947	8.2
87.00864	4.0
89.02443	80.8
95.01368	4.0
101.02440	30.6
112.98786	1.5
113.02445	24.7
114.30849	1.3
119.03500	31.4
131.03502	4.4
143.03552	6.7
149.04529	2.1
161.04555	7.3
179.05588	15.9
189.38199	1.2
339.08499	1.7
385.12781	1.7
427.13849	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	547.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.96510	1.1
55.01871	1.5
57.03431	1.2
58.00584	1.3
59.01379	96.5
61.98831	4.6
69.73935	1.0
69.74279	2.8
71.01383	68.5
72.99279	2.6
73.02950	13.8
75.00862	1.5
83.01397	5.9
85.02956	21.3
86.51814	1.0
87.00878	7.4
88.98785	2.4
89.02448	36.4
95.01375	6.0
97.02963	1.3
98.22603	1.4
99.00883	9.4
101.02445	48.3
111.00915	2.2
112.98793	1.4
113.02451	28.3
114.02832	0.8
117.01939	1.1
119.03508	10.3
125.02496	1.3
129.01926	3.1
141.01976	1.5
143.03459	1.4
153.05597	2.6
159.02997	4.3
161.04562	11.5
165.66609	1.0
179.05618	1.2
234.98354	1.0
236.04736	1.4
238.06364	1.5
239.07059	1.1
240.20396	1.0
251.07057	2.6
265.05020	1.9
266.05777	4.4
279.06543	5.1
281.08112	7.2
293.04599	1.8
293.08038	1.9
294.05383	1.8
294.08771	0.9
295.05881	1.4
297.07739	2.3
305.04532	1.9
307.06097	10.2
308.06729	2.0
309.07642	8.3
311.09235	1.4
319.06003	1.0
321.07703	2.1
322.04736	1.6
322.08386	3.3
323.09070	2.2
324.06458	2.4
324.09988	1.9
325.06998	1.2
337.07178	17.1
338.07733	3.6
338.11673	3.1
339.08682	12.2
339.12405	4.1
351.08682	3.5
352.09506	10.3
353.10236	5.2
354.07343	3.4
354.11026	6.8
355.11935	1.3
366.10913	2.1
367.11899	19.1
368.12604	1.5
369.08969	2.2
369.13409	35.3
381.13281	1.2
384.08517	1.8
411.14374	1.8
427.14001	2.2
439.13864	1.3
469.15182	5.8
487.12521	2.7
514.15387	1.3
517.13397	22.0
529.17145	47.1
530.17761	1.6
532.15924	11.5
547.18213	100.0
548.18646	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	547.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46678	0.8
59.01378	14.9
61.98830	6.5
66.76408	0.9
68.99812	1.2
69.03463	9.0
71.01388	2.4
71.44765	1.3
72.99314	1.7
73.02941	2.6
82.70569	0.9
82.95420	4.7
83.05034	3.2
84.95137	3.0
84.99312	3.8
85.02972	0.9
87.00881	11.4
89.02455	1.7
91.05518	1.2
94.99506	0.8
95.05058	2.6
96.95995	6.5
96.99313	0.9
103.00340	2.1
107.05019	2.2
107.08672	1.8
109.02959	3.9
111.00880	1.7
112.98814	38.6
113.02435	1.8
113.06092	2.0
123.08160	9.7
127.00385	1.1
130.99887	3.8
133.02963	4.9
134.03751	6.1
135.04524	97.5
136.04791	1.3
137.02452	3.4
139.00401	4.5
139.07661	1.9
145.02988	1.2
147.04504	0.9
149.00893	2.0
151.03850	0.9
157.08696	1.9
159.04433	1.2
161.02434	14.2
161.08252	1.1
161.13414	3.6
163.03998	7.6
167.07138	3.3
173.02440	1.7
173.13353	1.7
175.03947	1.1
177.05519	1.9
179.03497	73.0
179.10666	1.2
187.04091	1.0
191.03494	7.0
205.04988	1.5
219.02986	24.3
219.04961	2.0
221.04564	1.2
223.09773	1.5
231.02986	2.5
235.13455	1.1
253.14444	100.0
254.14894	2.2
267.06616	3.0
275.01910	2.7
293.03043	34.7
295.06088	4.4
325.20038	1.3
349.20291	2.2
385.15030	39.0
386.15421	1.8
415.17386	1.7
494.07031	1.1
547.14990	3.7
547.27771	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	547.2235
Annotation	(+)-Tricordatine
Peak:m/z	Relative Intensity
50.80435	1.1
52.78082	1.5
53.91592	1.4
54.62407	1.2
58.02956	1.8
59.01383	11.5
61.98829	13.9
69.18994	6.3
71.01389	1.3
81.02195	4.8
82.03011	1.4
96.00919	39.5
98.02482	39.8
98.21876	2.3
99.05640	9.8
114.01920	1.5
118.06648	1.9
127.98925	1.3
130.08748	13.8
131.05035	2.9
138.09244	14.0
141.06714	9.3
147.05971	4.6
164.38898	1.3
166.08719	2.6
168.09027	1.2
189.07033	14.7
200.07100	1.4
204.09041	3.5
216.13904	11.4
253.40761	1.3
259.14508	3.6
260.12949	7.2
267.32675	1.2
269.16623	2.6
295.14478	1.9
313.15503	1.6
327.63882	1.2
357.14542	100.0
358.14923	3.7
363.23746	1.5
372.56982	1.5
487.32788	1.6
547.22357	47.2
547.30872	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	547.2672
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	46.6
69.35252	99.2
69.35633	98.4
77.36203	51.4
77.56432	44.3
78.95886	49.1
90.69955	50.1
92.65262	43.8
102.91508	54.4
131.39613	51.2
154.89864	64.9
155.59991	46.6
223.10922	47.9
277.21725	100.0
307.36526	45.7
474.25958	76.7
511.26865	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.9
59.87724	0.3
61.98829	100.0
81.54752	0.3
87.37070	0.4
89.02422	0.4
98.21873	0.8
104.11619	0.3
125.87260	0.3
142.49937	0.3
158.22983	0.3
257.36679	0.3
391.28436	0.4
452.46136	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0887
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01377	4.3
60.29905	0.8
65.00328	1.6
67.76847	0.8
69.48098	0.8
71.01375	2.5
71.44793	1.2
78.03680	0.8
82.31789	0.8
82.95428	1.2
83.01395	1.6
84.95109	3.6
87.00868	1.0
88.37050	0.7
89.02452	3.1
96.96020	3.6
97.20297	0.9
101.02458	1.8
103.53923	0.8
103.98346	0.9
107.01404	2.9
108.02175	1.7
109.02961	1.2
121.02951	2.1
125.02426	1.6
135.00883	1.4
135.04527	1.0
137.02469	0.8
148.01643	2.0
149.00935	1.1
149.04575	1.6
151.00352	12.2
161.06012	0.9
163.00334	4.0
178.99788	5.2
179.03505	1.5
199.04056	1.4
207.32477	0.9
211.04004	1.5
226.02702	2.3
227.03496	3.3
229.04916	1.0
235.23376	0.9
243.02979	11.4
254.02245	4.9
254.08243	1.6
255.02965	33.0
255.08578	2.7
256.03500	1.4
271.02478	60.1
272.02917	2.3
273.03955	1.1
283.02322	2.0
299.01999	1.1
300.02747	100.0
301.03500	37.8
301.07043	1.0
311.10269	1.6
351.21655	2.1
369.10498	1.3
463.08743	4.9
505.09897	74.7
506.10229	2.7
513.23071	1.7
549.18378	1.7
549.29248	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90502	1.3
56.06586	1.3
57.42922	1.8
59.01375	12.1
61.98830	6.4
69.74124	4.7
71.01379	4.7
84.04557	13.6
84.05031	2.0
87.08798	1.7
89.02451	4.1
91.86045	1.6
94.47620	1.3
101.02425	3.7
113.02457	1.9
120.01288	2.5
120.99502	1.4
122.03749	8.8
127.87077	2.8
149.04555	1.9
152.07176	66.0
160.01700	2.0
161.02525	2.1
161.08226	2.1
162.02312	100.0
166.59846	1.5
175.04005	2.6
208.02016	5.9
209.02872	1.7
223.04335	11.5
224.05070	2.2
225.05936	5.6
225.08006	1.7
253.67825	1.7
290.07974	1.5
313.43307	1.6
342.13480	11.7
369.13461	3.4
376.12003	1.8
500.71957	1.7
505.15936	2.5
513.05408	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	549.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
57.75638	2.3
58.19093	2.2
59.01378	20.3
61.98828	9.2
65.27834	2.3
71.01382	11.3
84.00967	2.6
84.04559	14.0
85.02916	4.0
87.00869	2.5
89.02428	8.4
96.96041	2.9
101.02460	5.3
112.98792	5.6
113.02454	4.3
120.01231	4.1
122.03730	10.2
123.04556	3.1
127.87026	2.6
129.70366	2.4
152.07179	71.9
153.07655	2.4
162.02318	100.0
175.04030	4.4
192.99422	2.5
208.02032	3.3
221.82494	2.8
223.04347	15.1
224.17439	2.6
225.05945	4.5
245.94972	2.7
254.89925	2.3
342.13373	9.0
369.13281	10.6
513.05457	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	549.1976
Annotation	Eucommin A
Peak:m/z	Relative Intensity
52.61903	1.4
56.48671	1.4
59.01382	14.2
59.22325	1.3
61.98825	6.0
70.97491	1.8
71.01389	7.6
71.24832	1.3
77.48406	1.3
82.95439	1.9
84.95146	1.4
85.02943	2.1
88.98805	1.4
89.02449	9.9
95.57368	1.4
101.02428	3.8
109.02981	2.6
112.98817	2.5
113.02469	3.9
119.03521	3.0
121.02989	1.8
122.03748	2.3
123.00833	1.3
133.02948	1.7
135.04536	4.2
136.01666	39.2
137.02422	10.8
149.02522	2.5
151.00371	7.5
151.04013	59.5
151.05232	3.2
152.04674	2.3
160.01660	1.9
161.02470	1.9
163.03986	2.1
166.02716	28.8
167.03464	2.0
177.01881	1.6
179.03476	4.4
181.05087	30.7
225.11322	1.5
240.07964	1.6
254.08344	1.9
268.07336	3.0
280.07410	2.6
309.07498	2.4
313.10916	4.3
322.08170	1.7
323.09305	5.9
324.06335	1.4
324.09961	2.0
329.10275	3.1
337.11200	2.2
338.11603	2.2
339.08771	15.4
351.21817	8.5
354.11032	4.3
357.09732	13.9
369.13406	20.8
372.12112	7.2
387.14532	100.0
388.14883	3.7
525.16919	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1979
Annotation	Scorzonoside
Peak:m/z	Relative Intensity
55.01886	1.2
57.03455	1.1
58.00596	1.3
59.01381	100.0
61.10273	0.6
61.98838	1.9
69.40118	3.0
70.75856	0.7
71.01384	54.6
72.99323	1.5
73.02962	2.1
83.01398	1.5
85.02949	9.4
87.00872	3.3
89.02447	77.4
95.01396	3.5
95.57017	0.6
99.00879	0.9
101.02446	27.2
113.02454	23.2
119.03508	29.9
121.02975	0.8
123.00894	3.4
125.02455	1.1
131.03473	4.2
136.01657	7.0
137.02499	0.9
138.03220	7.0
143.03503	5.6
149.04550	3.5
151.00395	1.5
151.04022	9.0
153.05588	10.1
157.39697	0.5
157.48936	0.6
159.04486	0.6
160.05357	2.4
161.04582	6.3
166.02731	6.7
174.03256	0.9
179.05606	18.6
181.05057	8.3
187.03951	3.1
188.04750	3.6
203.07135	12.9
203.08794	0.9
238.06488	1.4
250.06343	0.9
273.44745	0.6
277.04868	0.7
278.05920	1.3
292.15955	0.7
293.08267	1.0
294.05310	1.2
309.07843	2.5
321.07782	2.0
324.10184	2.7
326.11804	0.9
339.12421	7.1
357.09979	2.3
369.13455	23.1
370.13889	0.9
372.11890	1.3
387.14517	21.7
387.19470	1.2
388.14633	0.7
411.14594	0.8
519.19495	0.7
531.18799	2.0
549.29529	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.0
57.03455	0.7
58.00583	0.8
59.01380	59.6
61.90954	0.5
61.98814	1.7
69.29913	1.2
69.30314	1.8
71.01382	24.0
72.99308	1.0
73.02940	1.0
74.67738	0.5
83.01379	1.7
85.02959	6.0
87.00883	1.3
89.02447	21.3
95.01368	2.0
96.96037	0.8
99.00809	0.9
101.02444	14.4
102.01096	0.5
106.06608	3.1
113.02445	8.3
119.03516	6.4
122.06118	2.1
130.02950	3.6
131.03790	5.0
132.04552	5.5
133.02934	0.8
134.06129	40.9
146.06107	2.3
148.04054	1.7
149.04588	1.1
150.05608	0.7
152.07140	4.9
158.02484	14.6
158.45712	0.6
160.04065	2.3
162.05583	4.0
176.03529	2.5
179.05704	0.6
184.03923	0.6
190.05106	66.5
191.05428	1.3
192.06659	3.9
202.05031	1.3
207.34805	0.6
216.06665	1.0
222.07721	27.5
234.07735	2.1
235.08713	0.8
248.09575	0.8
249.10342	1.6
263.08179	1.3
277.09772	2.8
279.07990	0.7
279.11340	1.0
297.11392	1.4
305.09335	3.8
309.08774	4.2
309.12402	3.2
311.10162	1.0
314.12479	6.8
322.09796	1.0
323.10419	1.1
337.11938	34.9
338.12201	1.7
339.13379	0.7
351.21719	1.7
369.10953	1.0
369.14563	20.9
387.15604	0.8
513.27264	1.8
517.18280	70.2
518.18933	2.7
549.20905	100.0
550.21051	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2339
Annotation	Pachyclavulide H
Peak:m/z	Relative Intensity
52.91591	0.6
59.01377	25.8
64.87259	0.8
67.02847	0.7
69.20342	1.7
69.20740	3.2
71.01382	8.7
71.08688	0.9
73.02942	21.0
83.01374	4.9
85.02935	2.4
89.02444	2.0
95.78732	0.7
98.22546	1.4
99.00858	1.2
101.02440	11.8
113.02435	3.3
117.25471	0.7
118.41991	0.7
122.86167	0.8
124.47439	0.6
125.02436	0.9
155.31131	0.7
161.04587	0.8
245.15428	15.4
251.87013	0.8
271.13452	1.0
289.14069	0.9
301.18106	1.2
489.20917	1.4
507.22336	2.1
549.23376	100.0
550.23608	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	549.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63589	0.6
55.75388	0.6
59.01351	0.7
71.11571	0.5
78.95902	8.0
87.31576	0.6
97.06596	0.7
98.03706	0.8
108.05811	0.6
110.98537	7.1
112.70526	0.5
123.40057	0.6
125.09723	0.7
138.06870	0.8
141.09210	3.9
142.77864	0.7
150.93814	0.6
151.73482	0.6
152.99602	0.8
153.12857	5.9
165.12836	6.6
167.01129	2.1
167.14447	0.8
170.05885	1.2
179.10828	2.9
181.12347	21.6
185.02136	4.5
195.10321	0.9
195.13895	1.1
197.11832	4.0
199.13393	100.0
200.13786	1.7
213.15002	1.5
215.12897	3.0
237.14958	1.7
239.16542	2.2
255.16014	3.7
257.17496	1.9
345.24362	1.4
363.25345	6.7
367.15298	20.1
368.15646	1.0
375.34402	0.7
381.26443	18.7
382.26624	0.7
549.28326	56.8
550.28497	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	549.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82830	34.1
69.23598	39.9
69.23891	100.0
69.24274	86.6
73.21598	34.6
124.39767	32.9
215.09222	33.6
220.59937	45.9
263.78552	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02299	0.1
59.01369	0.3
61.23927	0.1
65.44407	0.1
69.18367	0.3
69.18773	0.7
78.95907	2.1
79.95743	2.1
84.95105	0.7
94.98088	0.3
95.97628	0.3
96.26494	0.2
96.96013	100.0
96.96899	4.5
112.98853	0.2
114.98520	0.1
119.32956	0.1
179.03386	0.2
203.68343	0.2
239.98094	0.1
245.48222	0.1
315.24594	0.2
426.98355	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
58.00607	0.6
59.01380	43.7
60.01706	2.6
61.98830	100.0
63.58573	0.7
67.53780	0.6
71.01376	17.6
71.44320	0.7
72.01713	1.6
73.02943	14.2
78.91878	1.7
83.01396	3.2
85.02959	2.6
87.00890	1.5
89.02444	19.8
90.02785	2.1
101.02438	11.6
102.02715	0.7
113.02462	7.3
114.02782	1.1
116.15211	0.7
119.03496	7.2
120.58535	0.6
131.03490	0.9
136.01688	2.4
138.03229	1.4
143.03548	2.5
143.11827	0.8
149.04642	1.6
150.05038	0.6
151.04019	4.1
152.04402	1.1
153.05685	1.7
161.04547	3.1
163.04059	0.7
163.11304	1.6
166.02786	2.6
167.03065	1.1
179.05618	4.1
180.06029	1.4
181.05127	2.6
182.05437	1.2
187.04089	0.7
189.09279	0.8
203.07233	1.8
204.07513	1.2
221.11853	2.2
257.33047	0.9
339.12427	1.1
340.12982	0.8
368.13409	0.6
370.13525	4.0
387.14499	3.1
388.14786	7.2
405.50909	0.6
411.16562	14.6
412.16461	0.7
452.51584	0.7
545.66522	0.7
550.29297	1.8
551.31427	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40750	0.5
53.79979	0.5
55.94379	0.4
59.01375	0.6
61.98838	1.1
66.60709	0.5
68.08386	0.5
78.95905	19.9
79.95758	2.6
96.96012	100.0
116.33510	0.6
118.24901	0.5
121.57995	0.5
122.00146	1.3
140.01183	1.6
152.99609	1.9
178.94260	1.7
196.03787	6.4
240.58852	0.5
253.21568	0.9
254.22020	1.4
255.23306	25.8
256.23593	1.0
284.14066	0.6
312.01700	1.3
375.16068	1.0
378.89471	0.6
433.17157	0.8
452.27798	16.8
550.25360	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	550.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30784	0.6
61.98831	100.0
69.17436	1.7
69.17837	3.7
85.88139	0.6
89.31210	0.7
122.77755	0.8
135.04512	0.9
324.71786	0.8
409.15463	0.9
563.00934	1.0
563.18042	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98821	100.0
70.21703	69.2
78.31596	22.7
129.77110	27.3
193.49924	29.7
210.24265	24.5
217.72545	24.8
219.01129	28.9
272.99414	24.7
550.29529	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	551.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34717	0.8
56.18539	0.9
57.03448	8.6
59.01386	8.9
65.00330	2.3
71.01385	4.6
74.45936	0.9
83.01393	5.9
85.02949	1.3
89.02438	2.1
93.03462	1.0
95.01370	1.7
96.96005	1.8
98.22693	2.1
100.74474	0.9
101.02433	3.5
107.01395	2.9
107.05185	1.1
108.02176	4.1
109.02956	3.3
113.02433	1.7
116.92864	1.3
117.92879	1.0
121.02965	3.7
123.04501	5.8
124.01663	2.8
125.02448	100.0
126.02789	1.7
137.02448	2.8
147.04518	2.6
149.02449	5.5
150.03183	1.8
151.00372	14.4
151.03958	4.5
152.01169	11.0
153.01927	10.5
154.35011	0.8
159.04515	1.5
159.80951	1.1
161.05997	1.5
162.03314	1.1
163.00360	1.0
163.04007	1.0
169.01518	1.4
171.04512	1.1
174.03259	4.6
175.04018	19.4
177.01924	23.5
178.99840	13.0
181.01450	3.7
187.04089	1.4
188.04822	1.8
189.05592	6.0
193.05092	2.7
199.03983	10.9
201.01851	2.3
202.06422	1.1
206.38565	0.9
208.25082	1.1
213.05553	2.1
216.04295	1.3
217.05057	11.3
231.06619	2.3
233.08235	1.9
241.04996	8.8
242.02180	1.1
243.03004	2.4
257.04327	2.1
259.06073	4.5
275.05637	6.6
283.06085	4.3
285.04041	69.5
286.04306	2.5
303.05090	64.2
304.05566	2.2
311.05508	7.2
323.05313	1.5
328.09470	1.0
329.10370	2.2
341.06604	2.8
343.11661	1.5
359.15085	1.4
389.16104	5.7
431.09888	8.8
507.11441	60.7
508.11301	2.1
551.21442	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	551.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03444	14.3
59.01374	5.9
61.35434	2.4
71.26897	2.0
82.95412	3.2
83.01377	3.6
84.95115	2.8
87.15558	2.5
88.98801	4.8
95.01382	2.5
96.96017	32.6
98.21777	3.8
98.95589	8.5
107.01405	3.0
109.02973	2.2
118.96454	2.2
123.04527	3.6
124.01707	5.5
124.63286	2.4
125.02444	100.0
135.21327	2.3
139.84933	2.8
149.02429	2.3
150.03200	4.3
151.00356	9.4
151.04018	2.4
152.01208	18.2
153.01968	5.7
173.06027	2.8
175.03981	7.0
177.01962	5.5
178.99864	5.6
189.05562	3.9
217.05019	9.5
259.06107	10.7
275.05460	7.4
285.04010	29.0
303.05042	6.8
359.15298	2.9
371.79007	2.4
423.95020	2.8
479.11676	19.4
489.10440	8.3
507.11444	95.2
508.11533	3.1
525.15271	2.8
551.26221	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	551.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84340	0.5
59.01376	3.7
60.99304	15.2
71.01364	0.6
87.00871	1.0
88.98803	100.0
89.02439	25.4
89.03008	0.6
96.95995	0.6
103.00343	0.5
103.01485	1.4
108.11634	0.5
121.02963	1.0
133.02948	1.6
135.04546	1.2
149.00935	0.7
161.67932	0.5
218.44234	0.5
254.08232	3.1
255.08589	4.1
256.08704	2.7
257.09082	1.8
293.08795	0.7
343.48251	0.5
551.18909	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	551.1762
Annotation	Prinsepiol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.49950	1.5
54.12525	1.3
55.95378	1.3
56.40219	1.4
59.01382	11.2
59.02627	1.5
59.14854	1.4
59.78330	1.5
61.98826	3.9
64.41857	1.4
71.01381	5.5
83.35275	1.4
89.02463	4.4
93.03462	2.0
101.02447	2.2
113.02428	2.5
116.51868	1.5
119.03513	2.6
121.02956	12.9
122.03722	6.5
123.04518	5.1
127.87038	1.9
133.03014	3.8
134.03743	98.3
134.06030	3.9
135.04475	5.8
136.01703	1.7
137.02477	7.9
144.87271	1.7
147.04530	3.9
148.91093	1.5
149.02454	16.4
149.06091	21.7
150.03232	50.0
151.04013	24.8
152.07227	3.6
160.01608	1.9
162.02222	2.4
163.04002	1.9
164.01840	3.7
164.04810	7.0
165.01927	7.4
165.04126	2.7
165.05556	49.0
165.98920	1.8
175.03934	2.9
176.04799	2.4
178.02719	45.0
180.04240	4.5
181.05069	16.4
191.07117	4.3
192.04292	2.0
193.05054	100.0
194.05484	2.0
195.06610	16.6
208.03799	5.2
223.06139	15.8
235.06104	15.4
282.08984	5.4
311.10089	1.4
341.10336	16.5
353.11072	1.5
383.11588	2.0
387.30429	1.5
389.12436	92.3
419.13174	3.3
431.13782	5.0
475.08005	1.9
477.07465	3.2
513.04755	1.7
515.06165	2.0
533.17859	2.1
551.18018	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.9
59.88917	1.7
61.98832	2.0
92.49317	1.9
101.76109	1.7
103.24932	1.7
108.23296	1.7
110.91504	2.0
111.25219	1.8
117.03421	2.2
121.02935	6.8
122.03765	3.1
127.87053	3.4
134.03735	48.8
137.02480	4.5
148.91032	2.7
149.02443	7.2
149.06076	17.1
150.03226	33.6
150.90649	1.9
165.01898	2.7
165.05568	38.1
167.76462	2.0
176.46307	1.9
178.02715	27.6
180.04225	3.1
193.05057	100.0
195.06630	29.2
282.08875	4.6
341.10281	12.1
389.12384	17.1
477.05658	2.2
513.04987	2.6
551.18048	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	551.2133
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
53.87112	0.5
55.01868	1.3
57.03446	0.8
59.01381	33.9
61.98798	1.1
67.20128	0.6
69.54800	2.2
71.01384	16.5
72.99310	1.0
73.02954	3.3
82.95411	1.6
83.01379	4.7
85.02958	6.5
86.00114	1.2
87.00881	2.2
89.02445	12.8
95.01418	1.7
98.00148	0.6
98.22660	0.8
99.00888	2.8
101.02441	12.4
102.98593	3.7
108.02178	14.1
109.02975	3.3
113.02458	5.3
115.04007	2.1
115.06177	0.7
116.92876	0.9
119.03490	6.5
121.02889	0.7
122.03741	0.6
123.04533	10.9
125.02444	0.7
127.07679	0.7
129.09212	1.6
131.03508	0.8
135.04550	2.1
143.03471	1.6
149.02457	0.6
152.07146	1.1
159.04561	1.7
160.01695	0.6
161.04579	0.7
162.02255	0.6
163.00656	0.7
164.04649	0.6
165.05577	0.9
174.03241	0.9
181.05077	0.9
182.70352	0.7
187.04042	3.8
188.04817	1.3
189.05551	1.0
193.05167	1.0
193.07175	1.1
202.06320	4.0
203.07079	3.5
205.04968	0.8
206.05867	1.0
217.05003	0.7
219.06517	0.7
221.08228	2.1
233.08185	9.6
243.15985	2.2
283.06232	1.7
295.06180	1.5
296.06940	0.7
297.07697	3.0
298.08310	0.9
310.08441	2.1
311.09399	2.9
313.07031	1.6
313.10913	1.3
314.07867	1.9
325.10818	4.2
326.07904	1.5
326.11481	0.7
327.12195	0.8
328.09515	7.8
329.10269	10.6
341.10233	6.8
341.13959	0.9
343.11862	16.6
344.12262	0.8
355.12131	0.8
356.12723	2.8
359.11407	5.8
366.99823	0.6
371.15125	3.0
374.13702	11.8
375.14374	3.6
389.16064	27.0
389.21115	1.3
390.16327	0.7
427.16669	0.7
507.15518	0.8
536.18939	3.4
551.21387	100.0
552.21967	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03412	1.0
59.01378	15.9
61.98817	2.8
68.99808	1.4
70.20838	0.9
71.01377	1.7
72.99325	1.4
84.95104	3.1
84.99313	3.9
87.00885	10.1
95.05075	1.0
101.02396	1.3
103.00374	1.8
107.05012	2.2
109.02945	3.6
112.98809	38.9
112.99606	2.0
113.06087	4.8
113.09731	1.6
116.92850	12.4
130.99855	1.7
133.02954	7.7
134.03784	6.2
135.04523	83.1
137.02417	2.8
139.00360	3.9
143.10765	3.8
145.02983	0.9
149.00879	1.2
151.04077	1.0
161.02449	13.9
163.03993	7.8
173.02368	1.1
177.05573	1.5
179.03491	59.8
187.04048	1.4
191.03474	5.7
205.05014	1.1
219.02969	17.1
221.04610	1.2
231.02954	3.1
239.16574	1.1
257.17584	100.0
258.17838	2.3
275.01846	2.0
293.03036	30.7
299.93570	1.1
351.21545	1.4
370.49380	1.0
389.18155	31.2
454.28314	0.9
461.36047	0.9
507.27979	5.5
520.66571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70065	0.7
53.26289	0.7
55.01866	0.8
55.46331	0.7
56.43073	0.7
56.67216	0.7
58.00585	2.2
59.01380	100.0
61.98824	2.8
67.80640	0.8
71.01383	54.9
72.99306	2.8
73.02937	1.6
83.01395	2.1
85.02946	9.4
87.00877	3.6
89.02445	79.4
93.78440	0.7
95.01361	4.3
101.02444	36.5
108.02161	1.2
109.02930	0.8
113.02450	23.8
119.03505	37.2
120.03889	0.9
121.03022	1.0
122.03748	1.5
123.04536	2.1
125.02468	1.0
125.87305	0.9
127.18867	0.9
129.09300	0.8
131.03517	4.3
135.04474	0.8
137.02448	1.4
141.90601	0.8
143.03506	7.9
149.02417	1.4
149.04579	5.5
150.03233	1.6
150.57883	0.8
151.04015	3.3
159.04520	1.3
160.05307	5.9
161.04552	6.3
161.05977	1.5
161.82243	1.0
162.03268	0.8
164.04628	1.0
165.05511	2.5
172.05281	3.4
175.03954	1.6
175.07611	1.9
179.05614	18.1
187.03999	1.2
187.07646	1.6
189.05562	7.0
190.06380	7.5
195.06595	1.1
203.07175	2.0
204.07829	1.0
205.08687	6.3
208.03662	1.1
223.06091	4.0
243.16069	1.8
248.47820	0.8
279.15689	0.8
296.07025	1.0
311.09393	2.2
323.09323	1.1
326.11542	3.7
341.10144	2.0
341.13989	3.7
359.15024	1.5
371.14996	39.4
372.15100	1.6
389.16083	2.8
450.62640	0.9
538.61157	0.9
551.21344	6.3
551.30304	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	551.2631
Annotation	Saucerneol A
Peak:m/z	Relative Intensity
59.01380	18.3
61.98822	7.6
66.23746	2.1
69.13268	13.5
71.01385	3.7
73.02953	7.9
80.96104	2.3
95.85506	2.1
96.96000	18.7
103.01480	4.5
134.03407	2.2
162.83833	2.7
197.02264	5.1
217.35423	2.3
259.38712	2.3
263.20126	9.8
309.24323	7.9
338.34845	2.4
351.21674	9.7
353.23288	45.6
515.28906	3.5
551.17731	4.3
551.26227	100.0
552.26410	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	88.4
69.38350	16.1
71.01375	9.0
71.94028	3.6
82.95442	6.1
85.02940	6.6
101.02451	6.9
132.89354	2.9
160.28264	3.4
161.84598	3.1
163.45586	3.2
249.25714	4.1
306.29196	3.1
507.28082	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	551.271
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59325	1.1
53.04762	1.0
53.69136	1.0
59.01382	22.6
61.98824	3.6
69.08183	1.0
69.21087	2.0
69.21474	3.7
71.01378	9.4
72.09003	1.1
72.99300	1.2
73.02941	3.2
83.01418	1.9
85.02932	3.6
87.00881	4.6
88.52349	1.4
89.02444	2.7
95.01395	1.5
99.00870	1.4
101.02452	5.5
112.01610	1.2
113.02446	3.3
119.05053	1.6
124.61173	1.2
127.11287	1.8
134.37816	1.4
143.03505	1.8
180.51697	1.0
202.10941	1.3
257.17484	2.2
285.20734	6.7
303.21750	35.4
315.21924	1.4
351.21814	6.2
447.26004	17.7
465.27054	34.3
507.28125	100.0
508.28500	4.5
551.31061	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	551.2992
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98809	13.1
69.29363	53.1
71.02834	9.7
73.75934	8.5
78.95895	25.4
83.55399	8.6
96.96004	100.0
102.67947	8.5
109.98380	8.8
152.99585	12.9
169.50412	9.6
215.55190	9.9
240.45358	8.8
256.23639	11.3
260.39789	10.2
279.23203	16.3
280.58163	9.3
420.69995	12.8
453.27872	15.9
457.75354	10.5
551.30444	24.0
563.52466	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12759	73.0
69.13161	32.7
70.88266	26.4
78.95921	46.1
153.48956	20.7
171.48463	24.1
248.64525	19.7
255.23273	100.0
279.23224	60.8
373.14111	22.3
413.18890	20.4
423.94730	20.3
483.27234	59.8
551.29926	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	1.9
71.16095	1.7
109.63079	1.3
120.01253	100.0
126.84883	1.4
134.03741	1.4
140.52022	1.2
149.02324	1.4
173.40590	1.5
177.05637	1.9
220.09756	1.8
222.05316	10.6
223.06050	1.6
357.13257	3.6
387.14706	2.7
391.65701	1.3
553.20825	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	552.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04059	1.8
57.71703	2.1
61.98832	16.9
62.96407	2.0
69.21701	1.9
69.72894	6.2
78.24975	1.6
78.95905	100.0
96.96024	12.4
96.96964	6.3
98.95609	16.7
98.96262	2.4
99.92577	13.6
100.93367	6.3
114.94930	7.4
115.92101	12.5
116.92892	5.3
137.99759	2.0
140.01120	3.6
140.51450	2.1
141.96042	12.7
148.90958	3.9
150.97948	2.0
152.99593	52.7
163.89742	5.1
164.90506	5.4
178.88425	8.4
179.89236	18.1
180.90018	12.2
181.90768	8.6
194.02211	2.7
196.89485	33.0
205.90831	3.8
205.93054	3.8
222.74536	1.9
222.93391	3.6
235.91858	5.8
236.92641	3.2
255.23300	26.7
256.23688	3.5
277.95258	3.6
381.66125	2.5
399.60242	1.9
409.23468	7.9
435.12259	2.1
452.27512	5.0
475.15533	5.9
492.16113	6.0
516.18213	17.8
522.71179	1.9
534.19269	8.2
552.20282	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	14.1
61.98820	6.5
67.92266	0.6
69.32236	2.6
69.75542	0.6
71.01371	0.7
72.99305	1.5
84.99319	2.6
87.00876	9.8
89.02460	0.8
91.05534	0.9
98.22594	1.5
103.00356	4.9
107.04984	0.9
109.02981	3.7
110.66814	0.6
111.00842	1.7
112.98811	33.8
116.92887	0.8
118.18462	0.6
119.05019	0.9
127.00302	0.9
130.99831	2.0
133.02939	3.0
134.03743	4.3
135.04527	79.7
137.02438	2.6
139.00374	2.9
145.02946	0.8
149.00906	1.2
154.08327	0.6
159.04585	0.7
161.02446	9.0
163.04002	5.2
175.03951	0.8
175.93146	0.7
177.05652	1.0
179.03496	51.8
191.03484	4.0
202.52211	0.6
212.69241	0.7
219.02977	14.7
221.04523	0.9
231.02992	2.7
256.19321	1.5
258.20731	100.0
259.21008	1.8
282.20596	0.8
293.03046	20.4
352.22177	1.6
354.19601	0.7
390.21338	49.8
391.21609	0.9
404.23547	0.7
420.23859	8.4
506.52875	0.6
508.28296	1.7
552.27026	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56850	2.8
59.01378	100.0
61.98821	8.5
66.89029	2.8
71.01376	48.9
73.02946	10.6
78.91891	5.6
80.91670	4.7
83.01378	5.1
85.02946	11.4
87.00847	3.5
89.02443	74.7
101.02443	50.0
113.02454	27.3
119.03487	28.8
123.84848	2.9
131.03519	5.7
135.52373	3.1
141.01657	16.5
143.03503	12.0
161.04581	19.5
163.37469	2.9
179.05614	44.1
186.37793	3.0
193.79576	3.0
203.95239	3.0
231.77715	3.4
235.31595	2.9
244.24594	2.9
311.20282	3.3
326.23160	3.0
347.22177	7.2
427.84729	3.1
430.70432	4.3
467.17889	6.5
478.76266	3.1
509.27438	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30807	0.6
59.01382	3.9
61.98861	0.8
63.69153	0.8
69.57360	2.6
78.95904	29.3
110.73229	0.6
152.99596	4.3
168.04321	5.0
220.15997	0.6
224.06929	10.5
233.22807	0.7
242.07985	3.4
253.19096	0.9
253.21733	15.0
259.20630	0.7
275.20187	0.9
277.21716	100.0
278.22064	2.5
339.08026	0.7
478.29248	4.9
502.29398	90.6
503.29443	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	552.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05281	0.8
61.98829	1.1
69.15711	4.6
78.95913	6.0
150.12560	0.7
152.29128	0.8
168.04326	1.6
197.92522	0.7
224.06883	1.5
242.08122	1.9
277.21729	100.0
278.22018	2.3
502.29391	44.0
503.02026	0.9
503.30038	1.6
531.32971	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01354	24.9
61.98819	100.0
70.83823	40.0
79.07978	22.3
80.04977	20.1
101.24324	22.1
160.84200	24.1
165.90311	25.9
172.90204	28.6
367.39880	23.0
380.37350	23.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	17.0
61.98820	2.1
70.04945	1.9
78.95496	0.9
78.95913	8.0
98.21844	0.8
116.06551	0.7
152.99577	2.5
168.04298	2.2
168.81618	0.7
224.07002	1.1
242.07961	3.1
253.21725	100.0
254.22073	2.2
277.21783	8.0
478.29388	35.0
479.29742	1.3
502.29459	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	552.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.9
59.28594	1.1
61.98832	3.9
65.68683	1.1
69.59783	2.3
73.51325	1.1
78.28465	1.2
78.95901	17.0
92.41145	1.2
100.29132	1.3
123.68579	1.5
152.99597	4.3
168.04297	2.6
175.04169	1.3
187.61403	1.3
224.06903	6.0
228.27542	1.3
233.22751	1.3
242.07988	5.7
253.21712	100.0
254.22038	2.7
277.21738	46.9
278.22015	1.4
478.29343	40.8
479.29669	1.9
502.29361	47.2
503.29694	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98496	0.4
67.01889	3.9
69.51064	1.6
85.02943	1.9
86.25216	0.4
111.00882	95.1
112.01222	0.8
117.93573	0.4
129.01950	0.8
136.98799	2.4
148.96443	1.5
161.38326	0.4
164.94449	0.4
166.97517	57.8
167.97876	0.4
181.68349	0.5
191.94353	0.4
192.95439	5.1
195.19220	0.4
201.79607	0.4
210.96500	100.0
211.96901	1.2
224.90625	0.4
488.74261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01880	3.2
69.22146	1.1
69.46697	4.9
73.93508	1.1
81.59888	1.1
82.94885	1.0
85.02953	4.0
98.22560	2.2
111.00885	94.6
129.01964	1.7
136.98808	2.4
166.97537	61.0
173.00960	2.3
191.81126	1.2
192.95441	4.6
210.96515	100.0
220.42569	1.3
229.48012	1.2
233.81912	1.2
270.97656	1.3
276.87778	1.7
278.51251	1.1
524.87030	1.4
552.76782	5.4
579.70471	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89162	0.8
58.28120	0.7
59.01378	1.9
59.25345	0.7
60.99306	10.2
62.72168	0.7
83.01381	0.8
88.98808	65.8
89.02477	0.8
98.22664	2.6
98.95563	1.1
101.02436	1.3
107.01368	1.2
124.01693	0.8
125.02437	2.3
126.02847	1.1
151.00395	6.9
154.89925	0.9
163.00395	2.3
178.99844	3.4
224.76707	0.7
227.03458	1.5
227.55167	0.8
239.33990	0.8
243.02954	4.6
245.04680	1.3
254.02238	1.1
255.02980	13.2
271.02478	29.4
272.03110	1.9
300.02750	69.1
301.03522	31.0
302.03958	1.0
390.93234	1.5
424.75031	0.9
445.95203	0.8
449.27194	1.3
463.08823	100.0
464.09149	3.0
509.12051	2.0
569.43140	0.8
572.50659	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99373	0.3
59.01390	1.8
61.98813	0.7
64.52863	0.3
65.04184	0.3
67.76110	0.3
71.01387	0.5
71.44238	0.4
73.71684	0.3
73.98288	0.3
85.02934	0.4
89.02392	0.3
96.95983	0.3
101.02467	0.4
113.02441	0.7
120.99654	100.0
121.99997	0.4
128.79924	0.3
141.01743	0.3
149.02481	0.7
150.03229	0.4
160.01692	0.6
163.03981	0.5
164.04825	0.4
175.04005	1.4
177.05553	0.9
192.99649	1.9
193.01389	0.7
195.06673	0.7
196.02061	0.6
208.02000	0.8
208.03752	0.7
211.04330	1.2
223.04379	1.5
223.06192	1.3
225.07678	0.8
241.05371	5.1
329.06912	0.8
341.35120	0.4
400.07062	0.4
415.22836	0.3
533.43805	0.3
552.31622	0.7
553.32727	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	553.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
57.40428	1.6
59.01378	12.2
61.98818	7.0
69.24021	3.2
69.24427	6.9
71.01375	4.6
73.02970	1.4
74.00261	1.5
75.68515	1.4
84.95107	3.6
96.96002	6.8
101.02435	1.5
116.92788	2.2
119.35432	1.8
124.63558	1.6
131.68869	1.5
195.67099	1.5
225.34595	1.8
235.07622	2.4
238.47588	1.8
240.87578	1.8
251.07083	2.2
266.09473	2.1
268.66998	1.5
279.06638	17.5
285.39282	1.8
291.06653	10.3
292.07217	2.1
294.09171	3.4
306.08865	7.9
307.06165	36.8
307.09525	3.1
321.07666	3.1
322.08472	18.0
323.09442	1.9
337.10797	100.0
338.10922	2.8
553.26611	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	553.2057
Annotation	Physalin V
Peak:m/z	Relative Intensity
52.08529	2.4
59.01376	69.6
60.66163	2.1
61.98821	2.5
69.29175	11.2
71.01385	38.6
73.02940	6.1
78.44418	2.4
85.02957	5.8
89.02443	75.1
98.21863	5.9
99.00877	12.9
101.02440	39.8
113.02439	9.1
119.03513	13.2
125.02513	2.7
131.03476	13.2
143.03503	6.1
149.04559	74.8
151.04019	3.2
161.04558	8.2
179.05594	8.0
191.05626	13.9
195.06694	2.6
214.94807	2.7
221.06616	13.4
251.07768	15.1
293.08789	6.8
311.09787	38.3
356.87033	2.5
391.22070	2.4
430.17932	2.9
489.05161	2.6
493.23038	25.7
515.06427	3.6
553.20563	100.0
554.21399	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	553.2058
Annotation	Physalin V
Peak:m/z	Relative Intensity
50.46916	4.2
56.69968	4.9
59.01391	27.6
61.98823	12.2
65.03230	4.7
65.72120	4.9
71.01373	28.7
71.44740	5.6
72.25932	4.8
73.02966	5.6
73.21770	4.9
89.02440	43.6
93.40387	5.1
99.00874	11.7
99.65950	5.1
101.02464	14.9
131.03413	7.2
149.04576	33.1
166.81706	5.6
174.89223	5.5
188.46844	5.1
191.05646	6.5
205.12175	7.9
364.14374	6.1
517.22845	37.7
553.20526	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86774	1.9
57.03467	1.9
59.01379	100.0
61.98837	2.7
66.07870	2.1
69.60435	1.8
71.01381	53.5
72.99303	1.9
81.30058	1.6
85.02972	8.8
87.00886	4.0
89.02446	67.4
96.95992	7.0
101.02434	25.4
112.98814	3.2
113.02451	21.7
116.07130	1.9
118.98071	4.7
119.03500	33.8
124.58473	1.8
131.03511	4.7
133.02986	5.0
135.04514	3.1
143.03506	5.9
149.04597	3.3
161.04512	6.4
163.04077	2.0
179.05598	27.5
210.52080	1.8
230.83780	1.6
277.03549	2.0
281.85641	1.9
354.48026	1.9
380.55640	1.8
413.13153	2.1
433.11191	2.4
438.46527	1.9
493.23126	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	553.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98838	1.0
69.20262	2.3
69.20580	0.6
71.01384	3.8
82.84076	0.4
87.00867	0.5
89.02444	5.6
91.11290	0.4
93.92435	0.4
96.96064	0.4
98.22600	0.9
101.02466	1.9
113.02460	2.3
116.92871	0.6
119.03513	2.2
131.03558	0.6
135.04608	0.7
143.03516	0.8
161.04514	0.5
179.05638	1.3
207.45563	0.4
221.26857	0.4
342.75888	0.4
545.01447	0.4
553.30139	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28080	37.9
59.01361	100.0
59.16259	29.7
61.98813	75.7
67.24349	28.4
68.05766	27.9
70.94343	30.9
92.28900	32.6
214.41484	33.9
281.24918	52.5
451.33853	59.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.18447	18.4
69.15211	100.0
72.75766	14.1
75.88882	15.6
143.20871	16.6
154.96724	16.7
176.08987	16.2
209.66852	16.5
281.24796	26.1
553.31274	31.2
566.86267	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	553.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63344	0.9
58.02968	1.2
59.01378	2.9
61.98829	1.9
71.05004	1.2
72.04540	0.9
74.02462	1.4
84.04537	2.6
97.06582	1.2
99.08131	1.7
102.05611	40.1
111.66494	1.0
114.09219	1.6
115.07648	10.7
128.03543	56.1
128.10867	1.6
138.09206	1.2
146.04570	6.8
156.10284	17.1
158.11880	18.0
167.14400	13.0
190.91246	1.1
195.99846	1.1
211.13385	13.5
223.16995	1.4
229.14503	7.8
237.18555	1.7
241.18027	6.2
252.19685	3.0
265.18112	4.7
265.21503	1.6
283.19199	3.8
296.18732	2.6
315.83752	0.9
326.23434	1.2
341.41687	1.0
350.23346	2.4
368.24695	1.6
424.30692	14.4
499.14163	1.0
509.36041	1.4
535.33820	6.9
553.34949	100.0
554.35535	3.4
558.00775	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
58.32627	0.6
59.01370	1.8
61.98841	1.1
70.64977	0.7
70.65342	1.1
71.05019	3.0
74.02451	1.0
82.01249	0.7
82.14667	0.6
82.71220	0.7
84.04546	2.5
84.63215	0.7
88.85369	0.6
97.06584	1.7
102.05614	39.3
111.43839	0.7
115.07640	4.0
127.11301	7.9
128.03543	52.6
136.81328	0.7
146.04594	6.8
151.11287	1.1
164.14479	0.9
167.14413	16.2
169.12354	12.2
175.45451	0.8
182.15492	2.2
190.25983	0.7
196.83113	0.7
211.13411	15.0
229.14467	12.2
233.24013	0.8
235.72699	0.7
236.33838	0.7
241.18216	0.9
241.72745	0.7
247.74078	0.7
252.19693	2.7
254.17574	4.1
265.21643	1.6
272.18686	8.5
326.23398	1.1
357.23892	2.9
384.70819	0.8
424.30710	10.6
509.35980	1.1
521.21515	0.9
535.33807	7.8
553.34955	100.0
554.35089	3.7
564.18634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81500	16.2
53.92787	14.2
67.09516	16.8
69.16704	64.8
69.17110	50.7
78.95906	25.3
81.06371	18.8
88.84105	15.9
93.27493	18.6
96.96009	30.3
112.91313	17.3
114.36302	17.2
126.93032	17.3
152.99562	44.3
255.23262	53.9
256.23602	100.0
267.19458	18.2
285.20724	21.2
385.89328	19.3
484.27618	71.0
485.28140	32.0
570.62317	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	553.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14094	10.9
55.29210	9.6
59.01396	12.9
61.98605	9.0
61.98839	100.0
78.95898	40.4
82.62766	11.7
85.15332	10.8
96.96015	99.4
102.14964	10.1
124.84409	11.5
130.33455	11.8
152.99605	37.5
205.72374	10.7
220.96091	12.2
255.23230	27.0
256.23657	25.1
484.27600	24.7
517.08563	17.7
574.55255	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	554.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67259	0.3
69.29996	1.3
78.95905	17.2
92.02557	1.3
93.36535	0.2
96.96958	2.7
98.22612	0.5
107.03639	5.1
125.03575	9.0
134.04733	100.0
135.05054	0.9
175.41190	0.3
176.99562	1.5
195.00627	6.2
279.87485	0.3
293.04352	1.2
321.04968	2.4
419.08624	6.2
428.09668	1.1
554.14038	19.8
555.14624	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
60.97286	0.3
66.81953	0.3
69.68276	0.6
69.68604	0.5
78.95897	4.8
106.50378	0.3
152.99585	1.0
168.04279	1.6
191.19879	0.3
224.06876	0.9
242.07985	2.2
279.23276	100.0
280.23596	3.1
335.62811	0.3
504.30960	41.6
505.31287	2.4
554.26764	0.4
584.95941	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80354	0.3
58.06071	0.3
59.01371	0.5
71.43650	0.3
78.95905	20.8
103.97929	0.3
113.70287	0.4
116.00559	0.3
146.15437	0.3
152.99609	3.3
168.04324	3.7
184.89807	0.4
224.06908	8.9
242.07979	2.3
261.22079	0.4
279.23291	100.0
280.23630	3.3
437.95233	0.3
504.30972	72.0
505.31311	3.2
532.37158	0.4
554.27948	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74342	0.6
52.83079	0.6
57.01273	0.6
58.63799	0.6
61.98829	100.0
71.00057	0.7
71.01412	1.0
71.57797	0.6
79.95779	1.2
80.96510	7.9
89.19212	0.6
94.98077	1.6
101.13249	0.7
119.42857	0.6
164.98750	1.2
191.15410	0.7
225.00816	2.4
311.19440	0.6
416.32205	0.7
521.00562	0.8
555.28394	14.5
555.36230	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	23.1
69.92505	0.9
70.26200	0.3
72.12780	0.3
78.95901	17.4
80.96480	0.5
85.00452	0.4
85.55843	0.3
98.22544	0.7
112.40627	0.3
152.99609	2.5
168.04298	2.6
224.06915	8.3
225.00693	0.4
242.07970	1.4
255.23279	100.0
256.23669	3.2
297.77203	0.3
315.88541	0.3
368.93237	0.4
480.30933	70.1
481.31128	3.5
555.28778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71063	1.4
59.01376	16.1
59.06594	1.4
61.98821	3.0
72.41808	1.2
74.01109	1.3
75.95682	1.3
78.95904	6.1
105.16879	1.2
168.04337	2.2
169.19943	1.4
184.32489	1.3
242.07990	3.1
255.23279	100.0
256.23602	1.3
279.23151	6.3
480.30991	39.9
504.31183	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	555.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61921	2.1
59.01380	9.5
60.77483	2.3
65.68166	2.1
69.90961	5.0
72.99313	5.4
78.95892	2.8
80.87318	2.3
87.00882	22.9
88.98797	2.2
92.25787	2.4
96.96004	3.9
98.22555	3.9
103.00405	2.3
109.02913	3.3
111.00822	2.6
126.98865	5.6
133.02953	13.4
134.03743	4.0
135.03481	5.6
135.04526	100.0
149.00919	80.4
149.02161	2.4
161.02454	13.4
168.99968	6.8
173.00961	20.0
173.04533	4.5
175.02510	46.4
177.02032	4.0
179.03493	74.8
179.66653	2.1
189.04201	3.7
190.01279	2.5
199.02481	2.9
201.00403	73.8
201.04124	6.6
202.00729	2.9
215.02058	6.0
217.03587	12.0
217.57584	2.6
219.01468	39.0
219.03409	3.5
227.02023	25.4
243.01628	12.0
245.03056	29.2
256.99402	4.2
261.02533	51.3
265.07358	2.7
271.00958	23.4
277.75494	2.3
285.17636	2.5
289.02097	20.6
291.05139	8.0
293.03128	4.0
293.06210	2.4
311.03912	5.9
315.00089	3.9
319.04584	15.0
333.00946	18.0
337.05844	16.4
351.02072	3.7
363.03595	67.5
381.04779	24.2
393.03104	5.1
423.05615	8.8
427.68033	2.4
441.06555	5.7
451.05307	4.3
495.03946	3.5
535.20648	2.6
555.06439	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	555.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78131	1.6
59.01374	6.7
61.98826	2.4
62.53234	1.5
69.84093	5.6
72.99314	4.5
78.95886	1.6
87.00882	26.1
96.95998	4.5
103.00369	4.5
105.03503	1.5
107.05042	2.6
109.02973	1.8
112.98772	2.8
126.98888	7.8
130.99928	3.4
133.02951	11.4
134.03751	6.2
135.04527	100.0
136.04900	2.0
149.00920	87.8
161.02438	17.1
168.99927	6.0
173.00922	18.9
173.04666	2.3
175.02513	55.4
176.02696	2.2
177.01935	1.8
179.03499	80.8
190.01228	2.3
199.02516	3.6
201.00417	78.4
201.04007	11.0
202.00569	3.3
215.02055	3.3
217.03546	11.5
219.01450	36.6
219.03395	2.2
227.02010	27.6
230.99724	1.7
243.01476	10.7
245.03061	29.6
256.99484	4.0
261.02542	50.8
263.05814	2.8
265.07205	2.1
271.01013	20.7
275.05655	2.1
288.99539	1.8
289.02118	22.4
291.05145	6.8
293.03125	2.3
293.06607	3.4
303.03613	4.1
311.03955	4.5
314.99829	3.6
319.04581	17.9
333.01047	19.9
337.05710	17.4
341.03128	1.8
349.04150	1.6
351.02029	6.1
363.03598	70.4
364.03818	2.2
375.02322	2.0
381.04633	22.7
393.03091	5.0
423.05591	11.6
441.06738	3.5
451.05319	3.7
495.04413	6.5
521.72614	1.7
555.06219	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	555.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
59.42204	0.3
69.27535	1.2
71.01380	0.7
73.02954	0.3
84.93876	1.3
96.96012	1.9
98.95618	1.6
99.00896	0.7
99.92586	13.9
100.93365	13.7
101.93409	0.5
103.00389	0.4
114.94908	0.6
115.92073	13.9
116.92860	100.0
117.92874	1.9
126.94911	0.4
128.92873	0.7
140.92812	0.7
141.93633	1.3
142.94423	1.9
156.92332	0.6
158.93924	0.5
161.64687	0.4
167.95209	0.6
168.96007	0.6
169.93130	0.6
170.93887	0.5
183.94708	0.5
184.91833	2.0
184.95474	0.8
185.92639	0.8
196.95404	1.0
208.69698	0.4
226.96489	0.6
242.95930	0.8
244.97592	1.7
259.96323	0.4
304.42859	0.4
345.96432	0.5
433.09467	0.5
451.10687	4.8
452.10953	0.4
469.11624	4.3
481.11801	0.8
493.11633	1.9
511.12717	5.2
512.13129	0.6
519.09442	1.1
533.42920	0.4
537.10748	0.7
555.11682	20.3
555.26306	1.0
556.12018	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2218
Annotation	Terreulactone D
Peak:m/z	Relative Intensity
59.01378	34.0
61.98816	10.6
69.10141	50.3
71.01382	20.6
80.92280	7.8
89.02451	49.5
101.02477	19.5
104.15030	6.9
117.03208	7.8
131.03535	10.5
149.04559	40.5
169.20338	7.0
247.25352	8.1
247.95564	7.2
311.09619	9.1
327.60428	8.2
519.24420	55.6
555.21735	100.0
583.27271	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	555.2845
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.25631	0.7
63.96241	0.9
69.92924	1.3
71.01386	6.0
73.02945	2.2
75.16219	0.8
78.98594	4.5
79.95744	8.5
80.96517	58.3
81.03453	1.0
85.02955	2.6
87.00877	2.8
94.98083	11.8
101.02441	1.5
106.98091	2.7
111.01585	0.8
111.02346	0.7
122.97595	2.4
125.02438	2.4
129.76538	0.7
134.97614	5.4
136.99168	1.8
148.99149	5.1
152.98628	5.2
164.98637	12.1
206.99660	2.4
225.00740	14.6
255.23296	1.7
299.04303	2.4
420.33948	0.8
425.96548	0.9
440.36905	0.9
555.28442	100.0
556.28668	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	555.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64286	0.8
59.01370	2.2
69.03452	0.9
69.75762	3.3
70.42258	1.1
71.01372	4.1
71.22546	1.0
73.02949	1.7
78.98580	5.4
79.95740	7.2
80.96517	52.5
85.02939	2.4
87.00867	1.9
88.01014	1.2
89.70478	0.9
93.45771	0.9
94.98090	11.5
97.02953	1.4
101.02447	1.2
106.98055	1.2
122.97559	2.7
125.02422	3.2
134.97572	3.8
136.99121	1.7
148.99127	3.7
152.98647	4.6
164.98622	9.6
206.99797	1.5
225.00774	12.5
255.23228	2.7
289.76343	1.2
299.04398	3.1
311.72684	1.0
316.67511	1.0
343.59122	0.9
367.72046	1.1
555.28448	100.0
556.28735	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	555.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86996	0.8
59.01384	6.6
61.98834	2.4
69.16097	2.3
69.16505	2.6
71.01390	1.4
96.96004	2.0
98.21875	1.7
101.02420	1.1
120.75046	0.8
157.59119	1.0
161.04553	1.1
185.11850	1.9
217.00096	1.0
299.94147	0.9
309.24072	0.9
327.25311	5.7
333.20486	1.0
339.25415	2.1
357.26447	100.0
358.26767	4.3
462.18311	0.9
555.29315	14.9
555.36902	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	555.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66606	0.4
53.16883	0.4
59.01379	100.0
59.17397	0.4
69.15353	1.5
69.15773	1.7
71.01408	0.6
75.00871	1.4
78.79183	0.5
92.23486	0.5
98.21880	1.1
103.00363	3.6
103.01497	89.6
103.72144	0.4
113.46840	0.5
178.00424	0.4
178.02664	0.6
193.04980	1.1
194.20992	0.5
231.01521	0.6
266.61505	0.5
278.75052	0.4
361.68408	0.6
451.32297	0.6
581.35712	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68229	0.8
54.28501	0.8
55.54507	0.9
59.01369	1.2
61.98825	3.3
69.14385	5.8
71.45808	0.9
77.71483	0.8
78.95904	35.0
80.26223	0.8
83.90802	1.1
98.21865	1.5
110.26912	1.0
122.00138	1.5
125.09668	1.6
126.68683	0.9
138.04356	0.9
140.01208	6.6
152.99576	5.6
161.35471	1.0
196.03801	17.5
214.04778	1.6
238.99590	1.0
255.92192	1.0
277.21719	100.0
278.21982	3.5
369.32053	1.2
406.19254	1.0
474.26239	84.5
475.26770	4.3
556.25623	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	556.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06102	0.4
59.01380	1.6
61.98830	1.6
64.33083	0.5
78.95908	11.4
80.41029	0.4
83.05015	0.5
103.17868	0.4
118.10920	0.4
120.83250	0.5
122.00217	0.7
125.76443	0.4
140.01202	3.2
152.99588	1.5
196.03784	4.5
214.04820	3.1
277.21729	100.0
278.19339	0.8
278.21930	3.3
318.39139	0.4
321.51172	0.5
393.64313	0.5
474.26245	41.9
475.26682	2.0
556.25610	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	556.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19323	1.8
59.01373	8.5
64.11514	1.8
69.14103	13.3
71.01381	3.9
75.22561	2.0
88.73299	1.7
89.02444	4.4
90.57302	2.0
92.31505	2.3
101.02442	5.0
133.05022	2.1
253.09357	12.7
277.21738	100.0
278.22000	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	556.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78963	0.9
53.90904	1.0
59.01372	4.1
59.54860	1.1
68.49580	0.9
70.36877	1.7
71.01376	1.5
75.46737	0.9
89.02429	2.9
101.02419	2.5
113.02413	1.6
119.41885	1.0
154.85867	0.9
161.04599	1.3
235.08162	2.2
253.09267	17.1
277.21713	100.0
278.21927	4.0
348.57419	0.9
508.66251	1.4
560.81012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97898	2.2
59.69132	2.2
61.98836	7.1
70.50442	2.0
78.92619	2.1
78.95897	20.4
80.96507	3.0
91.96716	2.1
95.34970	2.0
96.96024	3.5
99.28893	2.1
118.23286	2.6
152.99524	4.1
198.17906	2.3
224.06966	6.7
242.08174	3.3
255.23209	2.5
281.24847	100.0
282.25363	3.8
406.70313	2.3
506.32480	72.5
556.28870	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	557.133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.3
61.98824	0.8
71.01385	1.2
71.44085	0.3
71.44489	0.3
72.99290	0.3
73.02950	0.2
77.97834	0.2
79.38107	0.2
84.93887	1.2
89.02441	0.5
96.96014	2.8
98.95596	2.3
98.96397	0.3
99.00879	1.1
99.92582	12.7
100.92737	0.3
100.93362	9.4
101.02448	0.4
103.00373	0.5
113.02429	0.3
114.93470	0.2
114.94923	0.4
115.92081	14.3
116.92862	100.0
117.92867	1.3
117.93672	0.6
119.03462	0.3
124.51728	0.3
128.92906	0.3
139.95682	0.3
140.92850	0.7
141.93640	0.7
142.94441	1.5
156.92407	0.5
158.93921	1.0
161.04465	0.3
167.95195	0.2
169.93179	0.2
173.92636	0.5
182.93867	0.3
184.91840	2.8
184.95453	0.4
196.95558	0.5
209.15477	0.3
223.94266	0.4
242.96114	0.4
259.96307	0.7
293.08395	0.4
301.97354	0.3
325.07535	0.3
335.22232	3.9
345.96182	0.5
435.11215	1.0
453.12137	3.4
454.12674	0.3
471.13159	3.0
471.19098	0.2
483.12976	0.5
495.13235	1.7
513.14331	6.5
514.14575	0.3
521.11505	1.3
539.12292	0.5
557.13318	23.3
557.31018	1.4
558.13629	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2947
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
50.20533	1.4
55.01875	1.7
55.57269	1.3
57.03450	1.4
57.93293	1.2
59.01381	62.4
61.98820	3.5
67.40542	1.2
68.05283	1.3
69.15553	8.0
71.01382	29.3
73.02946	6.5
83.01414	3.8
85.02952	15.3
87.00861	2.4
89.02450	21.6
95.01384	2.7
98.21859	3.3
99.00899	3.6
99.92623	3.6
101.02446	29.1
109.02869	2.1
113.02463	17.9
116.92862	50.4
119.03481	7.8
143.03531	2.5
150.03177	3.1
151.00366	5.1
159.02948	3.4
161.04576	20.5
165.05551	3.7
172.38428	1.4
179.05573	5.3
195.06696	1.9
249.14838	1.7
317.21323	1.6
335.22183	12.2
497.27582	100.0
498.27670	3.8
509.14545	2.9
521.33453	3.4
557.31348	17.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53708	1.0
59.01378	61.7
59.92817	0.9
61.98831	15.6
64.68369	0.8
66.97097	0.9
69.12824	6.4
71.01365	5.0
81.03446	1.4
89.02466	2.9
96.95982	1.5
101.02457	3.5
113.02455	2.2
115.07666	1.1
119.03502	1.6
121.62302	1.0
161.04504	1.9
179.05630	2.6
206.83110	0.9
219.17523	16.8
233.99028	1.0
261.22238	13.2
273.22238	3.8
291.23315	3.8
292.76373	1.0
317.21204	1.6
335.22266	100.0
336.22635	3.1
348.21631	1.0
351.21829	2.0
352.22003	4.0
357.26453	2.8
497.27753	2.4
521.33087	3.1
557.29358	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	557.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21188	0.8
51.48833	0.8
52.68454	0.9
54.67623	1.0
57.03439	1.1
59.01379	48.7
61.98830	6.3
69.03451	3.8
69.05360	5.9
71.01387	3.0
71.05037	1.6
72.37244	0.9
73.02934	1.2
75.61513	0.8
85.02936	1.5
89.02451	2.3
96.95985	1.8
101.02441	2.1
113.02436	2.9
119.03546	1.7
125.19486	0.9
127.12995	0.9
149.20050	0.9
179.05669	1.4
180.68982	0.9
191.14346	1.2
219.17580	1.9
261.22266	2.3
263.20093	1.2
273.22131	2.2
321.48941	1.0
331.22424	1.0
335.22281	100.0
336.22592	3.1
357.26346	3.1
377.23569	1.6
398.97055	1.2
497.27939	1.3
499.54391	0.9
557.30005	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	557.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50618	0.8
57.03442	1.4
58.00595	1.0
59.01381	32.9
61.98841	3.8
69.03484	0.7
69.69859	2.6
71.01384	3.1
73.02969	0.8
85.02965	0.9
89.02454	2.8
97.06593	1.3
97.41970	0.7
101.02444	1.3
108.29178	0.7
113.02448	1.3
116.92838	1.1
119.03495	1.6
161.04504	0.9
179.05521	0.9
191.03667	1.0
195.81677	0.8
261.22226	15.1
273.22189	12.8
289.21753	3.2
291.23276	4.3
335.22269	100.0
336.22537	3.9
349.23962	1.1
352.89508	0.8
377.23166	1.1
486.87241	0.7
497.27292	0.9
557.28571	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.1
59.01379	27.0
61.98827	0.7
67.53770	0.4
69.03456	5.3
69.22237	1.0
69.22622	1.2
71.01373	1.3
71.05008	1.6
85.02958	0.7
89.02434	1.2
101.02440	1.6
113.02446	2.1
113.15302	0.5
119.03497	0.8
157.10210	0.6
161.04575	0.6
187.16266	0.4
191.14627	0.4
203.18082	0.5
205.15982	0.8
217.15953	0.4
219.17569	1.5
220.82277	0.4
221.19098	3.0
257.19174	1.9
263.20178	0.5
273.22293	1.7
275.20166	0.8
291.23300	0.6
331.22708	1.5
335.22269	100.0
336.22629	3.7
359.22305	0.7
366.28058	0.4
377.23322	4.5
446.08636	0.4
497.27765	1.1
534.52667	0.4
557.29633	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11926	1.0
59.01381	62.6
61.98822	3.1
68.96152	0.8
71.01375	7.0
71.44228	0.9
85.00468	1.3
85.02937	2.1
89.02439	5.0
95.01322	0.9
96.95981	1.3
97.06592	0.9
101.02449	4.5
113.02438	3.8
116.92918	4.7
119.03490	2.0
143.03484	1.2
155.60353	1.1
161.04539	2.0
179.05612	5.0
230.86137	1.0
255.21277	1.2
261.22238	2.9
273.22275	20.0
291.23267	2.2
317.21271	2.1
335.22278	100.0
336.22464	3.5
351.21686	2.0
352.21948	1.2
353.23126	1.5
377.23196	2.1
377.27579	1.0
497.27487	7.4
499.47046	1.0
557.22070	1.8
557.29419	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	557.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	79.2
60.62481	0.5
62.81878	0.4
69.03461	0.5
69.18525	2.2
71.01379	5.4
73.02959	0.6
73.45589	0.4
79.34195	0.4
85.02960	1.0
89.02444	6.4
95.05008	0.7
97.06605	1.8
101.02451	2.4
113.02464	3.2
119.03509	2.8
143.03566	0.7
151.80743	0.4
152.94150	0.4
161.04570	1.5
179.05602	4.2
221.06441	0.6
249.15089	0.5
255.21146	1.0
255.62630	0.5
261.22153	2.9
273.22238	23.1
274.22775	0.7
291.23325	1.1
299.20245	0.5
314.95963	0.5
317.21140	1.1
327.31918	0.5
329.23294	1.0
330.81833	0.6
335.22272	100.0
336.22586	3.0
349.23434	0.5
377.23383	1.6
411.55246	0.5
497.27765	2.7
557.29095	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2967
Annotation	Tricalysioside N
Peak:m/z	Relative Intensity
52.36977	1.4
55.01881	2.4
57.03426	1.8
59.01381	65.3
61.98826	7.5
69.44897	6.1
71.01382	29.1
73.02950	7.7
80.64756	1.5
82.95425	2.5
83.01383	5.3
84.95124	3.0
85.02947	16.0
87.00886	1.8
89.02450	13.0
95.01367	3.2
99.00889	3.4
101.02441	24.0
113.02473	14.5
119.03510	3.8
143.03473	2.8
159.02975	2.8
161.04550	16.6
179.05615	3.6
191.73196	1.3
243.16681	1.5
249.89876	1.3
335.22217	8.4
424.02972	1.5
497.27609	100.0
498.27847	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	557.2997
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	5.4
59.09327	1.5
61.98823	4.5
67.33269	1.4
69.15573	8.9
74.56677	1.3
76.05916	1.4
78.95915	13.1
80.52329	1.4
98.22613	3.5
110.79746	1.4
131.25861	1.4
152.99594	6.7
168.04295	3.2
221.14008	1.5
222.00864	1.8
224.06967	1.7
225.44931	1.5
231.21161	4.1
242.07986	5.5
275.20151	100.0
276.20517	3.1
311.43048	1.6
320.67462	1.7
411.77435	1.5
500.27844	74.9
501.28308	3.4
505.44092	1.6
557.29755	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	557.3112
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
59.01381	26.1
61.98832	7.0
70.74869	2.9
71.01369	11.0
72.42281	2.3
73.02940	5.0
80.21490	2.2
84.60892	2.1
85.02948	3.5
89.02432	4.4
92.54790	2.0
98.04333	2.2
99.92610	3.5
101.02429	10.2
105.49859	2.2
113.02462	4.1
116.92860	27.8
117.92914	2.4
149.60388	2.6
161.04604	6.3
224.28450	3.1
239.41376	2.6
258.04962	2.2
335.22244	7.2
359.28122	3.4
385.61166	2.1
496.24551	2.6
497.27499	30.5
521.33185	28.7
543.67444	2.3
557.31012	100.0
558.31232	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	557.3121
Annotation	13beta-Hydroxymilbemycin A4
Peak:m/z	Relative Intensity
59.01381	79.2
61.98828	26.0
71.01394	21.7
73.02954	9.9
85.02947	7.0
89.02438	11.3
99.00916	7.0
99.92567	7.6
101.02452	19.0
113.02409	6.4
115.52465	5.5
116.92886	30.3
161.04544	9.9
217.84465	5.8
226.87430	6.2
266.42419	5.8
335.22437	12.1
497.27551	42.5
521.32977	49.4
557.12982	9.9
557.30762	100.0
570.36871	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	557.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59389	0.2
59.01380	0.8
61.98830	100.0
67.64272	0.2
78.95899	0.7
79.52177	0.2
107.40939	0.2
137.87790	0.2
138.36067	0.2
152.99577	0.5
178.97264	0.2
191.69501	0.3
215.06752	0.3
255.23267	2.1
256.23688	1.1
257.24017	0.7
258.24213	0.3
335.69022	0.3
388.87912	0.2
480.30801	1.2
481.31177	0.3
482.31491	0.4
483.31851	1.5
557.32062	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40652	0.4
59.01381	1.6
61.98830	100.0
70.45749	0.8
96.96030	0.7
120.01276	0.6
120.17751	0.4
120.65598	0.4
128.03632	0.4
142.49022	0.4
178.87003	0.4
353.23215	0.5
392.20233	0.4
410.80701	0.5
495.26141	0.7
577.54004	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95887	1.0
61.98831	100.0
69.57784	3.7
70.40447	0.9
82.87751	1.1
95.14347	0.9
98.22610	1.1
106.91055	1.0
161.88004	0.9
163.36026	1.2
189.19859	1.1
218.36566	1.0
273.13174	1.1
289.21628	1.6
329.65073	0.9
333.20816	5.5
389.21158	1.0
402.90341	1.0
466.10727	1.0
495.25882	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	558.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60986	0.4
55.15431	0.3
59.01368	0.5
59.41676	0.3
61.98832	32.4
63.23113	0.3
70.18200	0.3
71.14757	0.3
78.95905	9.9
122.00121	0.7
140.01198	3.1
152.99561	0.8
196.03810	4.2
214.04875	3.1
220.42856	0.4
222.00369	0.4
226.97314	0.4
237.75633	0.4
261.22165	0.7
279.23294	100.0
280.23627	4.9
310.09131	0.5
314.84946	0.3
334.78931	0.3
339.98572	0.4
407.70914	0.4
476.27823	34.0
477.28284	1.5
558.26910	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	558.282
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.6
61.98836	3.6
71.46189	0.4
78.95906	10.7
116.92860	0.5
118.73449	0.4
122.00133	0.5
140.01231	2.5
152.99542	1.3
161.63803	0.3
196.03796	3.5
214.04845	2.5
261.22260	0.4
279.23279	100.0
280.23599	3.5
476.27777	36.6
477.28058	1.6
487.04657	0.4
498.25174	0.4
558.19305	0.6
558.26984	2.5
563.66034	0.4
587.74103	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49865	0.4
61.98840	2.7
62.96433	0.5
63.02369	0.4
69.15926	2.3
70.05113	0.4
72.80001	0.4
74.79514	0.4
78.95903	29.0
79.78967	0.4
81.91470	0.4
85.76091	0.4
121.66739	0.5
122.00115	1.2
140.01192	6.9
145.49985	0.4
148.19162	0.5
152.99568	3.1
171.00626	0.5
196.03789	14.3
214.04825	2.7
222.29597	0.4
261.22177	0.6
278.22018	0.5
279.23288	100.0
280.23654	4.0
290.00406	0.4
468.87534	0.4
476.27817	71.9
477.28308	3.5
558.27502	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	558.3283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34709	1.1
59.01376	4.3
62.88359	1.1
67.69530	1.2
69.35329	5.7
71.01361	2.4
73.02950	1.1
87.16277	1.0
89.02448	1.9
92.80598	1.0
101.02396	1.5
102.21432	1.0
112.72150	1.1
180.91411	1.2
181.21582	1.0
235.08188	2.1
253.09253	11.9
279.23291	100.0
280.23697	2.8
281.24963	8.4
318.53183	1.3
461.08728	1.2
506.32574	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	558.3284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49932	0.7
51.80354	0.7
59.01391	3.0
61.98823	2.8
62.23688	0.6
66.26682	0.7
69.16729	3.7
69.25579	0.7
71.01376	1.8
73.02963	0.6
80.50269	0.6
86.00594	0.6
89.02423	1.9
96.77649	0.6
98.50448	0.6
101.02435	1.9
103.63354	0.7
113.02464	0.6
151.49187	0.7
161.04588	1.0
235.08197	2.3
242.70761	0.6
253.09286	13.6
279.23294	100.0
280.23639	1.7
281.24988	1.6
331.98535	0.7
333.55463	0.7
368.79498	0.7
369.62347	0.7
429.19492	0.7
506.32703	1.5
558.19788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.333
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92533	1.7
53.90499	2.1
60.19701	1.7
69.09062	1.9
69.09496	1.6
77.34193	1.8
78.95908	17.7
137.96793	1.5
148.38292	1.7
152.99541	3.2
168.04337	2.2
224.06886	6.3
282.84247	1.9
283.26419	100.0
454.49606	1.9
508.34070	83.9
509.34171	3.1
567.69092	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	559.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	3.2
61.98832	1.8
64.77256	0.6
69.48524	1.3
69.48916	1.6
71.01382	1.4
80.91677	7.8
87.96998	0.6
96.96007	1.5
107.01386	1.0
108.78058	0.5
117.96582	0.6
132.56726	0.6
151.00385	1.8
159.03246	1.1
160.03990	0.9
199.04027	2.0
215.03484	1.4
227.03500	3.2
237.05609	5.8
237.07869	1.2
238.06325	2.1
242.02173	4.1
243.02956	24.5
244.03333	0.7
255.02908	3.0
257.04541	7.1
264.06653	7.3
265.07535	5.1
266.08157	1.6
270.01736	4.9
271.02487	26.8
272.02997	0.7
278.31741	0.7
285.04053	12.2
286.04837	3.1
292.11053	0.8
299.01965	13.7
300.02802	6.5
314.04318	40.0
315.05112	18.7
340.00677	1.5
357.06223	0.7
382.01831	1.8
397.04105	5.9
457.06717	0.7
477.10391	100.0
478.10495	3.8
499.07376	1.3
499.29272	0.9
559.16791	6.9
559.24139	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.133
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16426	0.2
69.18951	1.6
78.95903	1.9
79.95736	3.2
84.95127	0.5
87.00879	0.5
94.46216	0.2
96.96010	100.0
96.96895	4.1
98.21844	0.4
112.44064	0.3
112.98819	0.3
120.72762	0.3
126.34158	0.2
128.03517	0.3
128.90187	0.9
129.05603	0.4
135.04521	2.3
149.00914	2.9
161.02437	0.5
165.74648	0.2
177.12708	0.2
179.03511	2.3
189.06563	0.2
201.15160	0.3
202.34152	0.2
219.03024	0.5
293.03168	0.5
311.04041	1.6
352.07904	0.3
496.18207	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	36.0
61.98830	35.3
71.01382	13.4
75.47314	2.3
79.17878	2.2
81.03465	3.4
83.05026	7.0
89.02476	11.5
89.67425	2.3
96.96013	4.6
101.02450	13.4
107.05029	6.9
109.06601	2.6
113.02469	4.2
119.03509	3.0
125.06077	5.3
125.09743	7.3
135.08136	7.0
153.09204	10.6
161.04590	4.9
163.11278	5.4
165.12791	3.1
165.85573	2.3
176.08403	5.0
178.10045	2.9
181.12323	3.0
185.11752	3.2
191.10809	4.4
197.11818	16.7
199.68723	2.3
206.14697	2.2
207.10178	7.6
209.11833	100.0
225.11278	5.3
236.10590	4.4
253.09261	30.8
261.18726	6.0
287.16403	13.4
305.17587	91.9
323.18607	26.8
337.23773	28.9
461.20316	5.6
499.29465	3.6
541.26514	62.9
546.37000	2.7
559.27191	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	559.3126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78207	1.8
55.01873	2.6
57.03453	2.9
59.01380	100.0
61.98832	9.6
63.79068	1.7
71.01382	35.6
73.02943	11.6
83.01365	2.7
85.02930	11.0
87.00904	2.8
89.02449	21.4
96.96003	5.0
99.00890	8.4
101.02455	28.1
113.02451	15.8
119.03529	6.0
131.03511	3.7
149.04556	2.5
161.04562	17.6
174.26915	2.0
179.05579	2.2
179.37733	1.8
191.05579	2.8
204.29094	2.1
229.28238	2.0
266.08316	3.8
277.21802	2.0
351.21848	3.2
369.22183	2.0
499.29150	98.6
500.29962	3.7
543.27917	4.4
559.23846	16.2
559.31744	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.3
61.98821	2.3
63.42718	0.4
69.12712	1.8
69.13134	0.9
72.77749	0.4
78.95906	6.9
152.99582	3.5
160.00259	0.4
168.04297	1.7
179.19244	0.4
181.80876	0.5
217.00294	0.5
224.06880	0.8
242.07999	3.1
264.02490	0.4
268.03659	0.6
277.21716	100.0
278.22037	2.6
306.01645	0.5
417.19510	1.3
429.79382	0.4
474.26096	0.7
477.22003	2.2
502.29370	52.1
503.29980	1.9
524.89557	0.5
559.23920	0.9
559.31769	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	559.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.98826	9.4
64.73739	0.9
66.73193	0.9
69.25712	4.6
69.71614	1.0
78.85035	0.8
78.95905	25.2
86.51519	0.9
88.87845	0.8
95.08640	0.9
96.95993	0.8
96.97018	1.0
98.21941	2.1
98.82768	1.0
104.01473	0.9
111.32150	0.9
120.20988	0.8
129.40042	0.8
152.99580	5.9
154.57458	0.9
168.04311	3.6
195.60414	1.0
198.12100	0.9
217.00264	1.2
224.06963	10.3
242.08086	1.7
277.21719	95.7
278.22195	1.7
406.96863	1.0
474.26208	2.2
477.21722	2.1
502.29395	100.0
503.29666	3.3
532.50055	1.0
571.19568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49052	6.9
59.01379	100.0
61.98819	9.8
69.17438	36.8
71.01379	33.8
73.02953	7.0
78.39220	6.2
89.02455	81.7
97.43346	6.4
98.62983	7.2
99.00886	21.4
100.93575	5.8
101.02448	30.4
131.03506	15.9
149.04565	63.8
156.99068	11.5
158.17342	6.7
191.05632	11.1
221.06760	13.2
311.09760	11.7
338.09009	6.3
397.55707	7.4
414.32959	6.5
488.03809	10.5
500.11450	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	560.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81872	2.2
59.01379	77.5
61.98815	7.5
62.56840	2.0
64.19475	2.0
65.88766	1.9
71.01383	51.6
73.02942	19.3
85.02953	4.8
89.02447	100.0
97.02937	3.5
99.00883	31.6
101.02442	35.7
113.02472	9.2
119.03503	4.8
125.02459	9.8
131.03519	16.3
149.04553	78.1
159.75328	2.1
161.04575	2.7
163.11295	5.4
168.60167	1.8
175.94875	2.0
179.05832	1.9
191.05585	17.2
205.12311	18.7
221.06651	5.4
233.06665	6.2
251.07712	6.9
293.08780	8.8
517.22931	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33822	0.1
55.81319	0.1
56.03847	0.2
59.01381	1.4
61.98830	100.0
69.85198	0.4
71.01383	0.3
74.55761	0.1
76.71749	0.1
80.63731	0.2
85.02946	0.3
89.02437	0.2
95.75598	0.2
98.22685	0.1
101.02435	0.2
102.17214	0.1
111.02699	0.1
117.10270	0.1
147.73163	0.1
179.77318	0.2
193.06535	0.1
216.68059	0.2
223.17816	0.2
240.45024	0.1
262.29678	0.2
266.08310	0.2
267.06769	0.2
277.05054	1.1
283.71021	0.1
326.19162	0.2
499.29562	0.2
500.29700	0.5
560.23676	0.5
561.16162	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24519	0.3
61.70856	0.2
61.98829	100.0
71.47124	0.2
94.73096	0.3
115.96694	0.3
335.23215	0.2
336.22659	0.4
338.23108	0.4
396.36655	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.8
61.98830	100.0
71.01411	0.2
85.31530	0.1
89.02453	0.2
96.95993	0.6
164.93384	0.1
193.06590	0.1
207.96629	0.1
265.27777	0.1
336.22421	0.1
338.23318	0.2
524.68878	0.1
550.81500	0.1
551.19189	0.1
561.27356	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.271
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
68.11000	0.8
70.60566	0.9
78.95880	1.1
85.30908	0.7
98.62420	0.8
115.18984	0.7
121.03626	0.8
123.95949	0.9
130.00832	0.8
161.41269	0.9
168.09433	0.8
195.45572	0.7
234.92165	0.8
310.51865	1.1
486.11230	1.2
497.27463	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	560.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74247	0.6
59.01379	2.1
59.40330	0.6
61.98830	100.0
65.68871	0.6
69.67647	0.6
71.45306	0.6
73.22046	0.6
85.31372	0.6
86.69712	0.6
111.03230	0.7
132.22348	0.6
177.91125	0.8
204.02815	0.7
207.59152	0.6
209.39043	0.8
221.73718	0.7
297.62018	0.6
307.25208	0.8
333.34863	0.7
337.23828	1.6
338.24033	3.8
351.36145	0.7
393.09476	0.7
395.67059	0.8
407.08585	0.7
424.78528	0.6
473.63666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.4
68.40070	0.7
69.82764	1.1
69.83112	1.3
71.01379	2.0
78.95904	1.7
87.82228	0.6
89.02470	1.7
89.76125	0.6
101.02464	2.0
116.05112	0.7
119.03517	0.7
142.25580	0.8
161.04539	1.1
167.01109	1.5
197.87955	0.8
222.21735	0.7
235.08220	1.5
253.09285	14.7
256.23553	1.0
281.24857	100.0
282.25208	2.9
402.91016	0.8
406.67010	0.7
470.23428	1.1
582.60333	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
61.28563	5.0
71.07628	5.4
82.12005	6.3
89.02479	5.2
89.43079	4.6
114.70237	5.8
252.56041	5.4
253.09290	10.5
281.24881	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	560.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03095	11.1
59.01398	24.4
61.98829	18.5
69.15771	74.7
69.64342	11.8
78.95898	22.0
89.02448	13.1
91.04002	79.6
94.83321	11.2
98.04529	11.1
98.22609	19.3
106.42380	11.9
152.99594	21.2
161.50427	12.9
196.10184	11.1
203.79861	9.8
255.23331	13.4
256.23639	25.1
288.69760	11.1
302.82968	9.7
307.30023	43.1
351.29071	26.5
369.30078	36.2
425.32593	41.3
443.33887	100.0
463.96982	12.7
484.27875	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	560.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79721	11.1
51.07883	10.9
54.59370	10.6
58.40662	10.5
59.01388	26.2
61.98825	23.0
65.83235	9.3
67.07923	11.5
69.12960	44.3
69.13367	22.7
70.76104	9.2
78.95916	34.2
89.02442	19.9
91.04015	80.9
98.21877	23.7
124.41340	11.6
146.08052	10.0
239.09778	10.9
307.30002	43.2
351.29178	17.6
352.95700	11.6
369.29996	37.1
425.32748	64.6
443.33975	100.0
513.40131	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	561.054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07898	0.2
59.01374	1.2
61.98826	0.3
69.16910	0.8
69.17318	0.7
71.01383	0.6
72.73376	0.4
77.14874	0.2
79.95747	2.3
87.00877	0.3
89.02448	0.4
96.96012	100.0
98.21863	0.6
101.02400	0.4
107.01369	0.4
121.02967	0.4
125.02442	0.7
149.04639	0.3
151.00366	2.0
178.99805	0.3
204.98187	0.4
225.05801	0.3
255.03011	0.9
266.08255	1.2
267.08548	0.6
271.02472	1.8
273.25436	0.3
300.02695	2.8
301.03525	1.4
356.99277	1.1
398.95380	0.6
399.00336	6.9
400.00461	0.4
463.08905	4.5
500.29813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	8.0
61.98814	4.0
66.95901	1.9
71.01370	2.5
73.02951	1.1
74.92410	0.9
82.95415	100.0
89.02434	3.3
93.03445	9.1
96.95995	4.3
101.02449	1.1
110.26882	1.1
119.04967	2.4
145.02957	13.6
146.02612	1.1
146.03729	4.6
146.06137	3.3
147.04495	2.9
149.04547	1.6
159.03287	1.6
160.04021	1.3
161.04582	1.0
173.04823	11.8
174.05597	45.2
179.03494	1.0
221.06108	1.3
237.05432	1.1
237.71629	1.0
238.06346	7.5
238.08344	1.2
239.05005	1.5
239.07153	19.0
240.07848	2.1
252.06461	1.9
265.07440	5.5
266.08194	34.3
267.09009	36.0
268.09564	2.1
271.02634	1.4
280.09735	2.0
281.52454	1.0
302.10016	1.0
305.73837	1.0
351.91193	0.9
399.04358	1.0
477.10501	2.3
479.10861	2.5
500.29831	1.5
501.30011	1.3
534.17603	1.4
561.18512	46.5
562.19019	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1837
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
60.55869	0.2
61.98831	0.3
69.66794	0.7
71.01385	1.0
81.80167	0.2
82.73479	0.2
85.15389	0.2
85.16364	0.3
89.02470	0.7
93.03456	7.4
93.04017	0.5
96.96023	0.4
98.21902	0.5
101.02451	0.3
109.02969	0.8
117.03470	1.8
118.02994	3.5
119.05039	2.3
120.04546	0.6
131.03717	0.7
132.04530	0.5
133.02960	0.7
134.02463	0.4
135.04599	0.3
136.01671	0.4
144.04579	1.0
145.02916	1.4
146.02522	0.6
146.03731	0.5
146.06151	0.5
147.03279	1.2
147.04524	4.5
148.03958	0.4
151.04045	0.6
159.03230	0.4
160.04041	4.5
172.04015	1.8
173.04817	3.1
174.05597	22.9
175.05905	0.4
175.18265	0.3
179.05708	0.4
180.24966	0.3
193.06621	0.5
196.05269	0.3
196.07661	0.7
197.06094	0.4
209.06075	0.5
210.09221	0.5
211.07607	0.8
212.04691	0.3
220.05191	0.4
221.06067	8.0
222.06590	0.9
222.09074	0.4
223.06381	0.7
224.04837	0.9
224.07193	1.4
225.05559	0.6
236.07228	0.4
237.05621	3.3
237.07809	0.5
238.06429	27.8
238.08589	1.2
239.07144	100.0
240.07819	7.8
248.07156	1.1
249.08041	0.4
250.08807	0.6
251.05951	1.1
252.06644	6.5
264.06702	0.7
265.07401	4.2
266.08206	77.2
267.08969	92.9
268.09485	4.6
339.12195	0.3
357.13449	0.9
429.14227	1.0
456.02899	0.3
520.88464	0.3
534.17291	1.2
546.16266	0.5
561.18488	91.4
562.18793	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	561.198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33785	1.9
54.07246	2.1
59.01381	100.0
61.98837	14.4
71.01388	37.1
73.02950	52.0
83.01395	8.6
85.02967	4.5
89.02449	45.4
99.00897	7.0
101.02447	56.1
101.36034	2.3
112.98820	2.4
113.02444	16.1
119.03516	7.5
119.04996	3.5
122.89497	2.2
125.02494	2.7
125.87321	4.7
127.28676	2.0
131.03493	12.4
136.01689	3.6
140.30266	2.0
143.03526	3.9
145.02937	3.4
149.04547	30.4
151.04021	8.5
161.04552	6.6
179.05618	2.8
186.03825	2.1
191.05597	6.8
206.07172	2.6
218.71579	2.5
221.06509	3.5
231.38127	2.3
238.56924	2.3
244.92395	2.4
251.07478	2.8
253.08669	3.4
259.49408	2.2
263.07153	8.7
281.08200	21.7
291.06656	4.2
293.08273	6.8
296.10510	4.3
308.10287	2.5
309.07703	53.2
310.08246	3.1
323.09274	4.9
324.10052	27.5
325.20200	6.7
339.12378	65.7
357.13522	6.5
421.38541	2.3
464.30170	2.9
501.30365	7.7
562.07220	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	561.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05054	3.4
59.01381	100.0
61.98830	52.7
71.01388	45.2
73.02945	17.6
85.02939	9.4
89.02449	78.9
96.96018	13.9
99.00881	16.3
101.02454	40.8
113.02451	14.7
125.09724	4.3
127.07738	6.2
131.03490	12.3
143.03520	4.6
149.04544	51.7
153.09256	12.1
161.04527	14.4
171.10298	26.1
191.05600	12.2
193.06552	10.5
197.11858	8.3
209.11797	48.5
211.13441	4.5
217.00513	4.7
219.87662	3.5
221.06682	8.5
251.07745	5.0
253.09328	29.9
289.18069	12.1
302.22861	3.8
307.15884	5.3
307.19141	70.1
325.20215	48.2
339.14792	5.0
344.97302	4.8
409.73929	3.8
415.09818	4.0
496.66220	4.4
501.30527	23.9
543.28107	15.5
561.28772	8.9
562.52460	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	561.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	1.0
58.00608	1.2
59.01379	77.5
59.74516	0.9
60.99302	1.6
69.03473	1.3
69.21616	6.3
71.01385	48.2
72.03726	1.0
73.02946	17.3
73.49943	1.0
83.84628	1.1
85.02936	5.9
88.98812	13.6
89.02448	100.0
93.03471	5.8
96.95995	1.7
97.02944	1.5
99.00882	29.4
99.01527	1.9
101.02445	44.0
102.02728	1.0
113.02467	6.2
117.03510	1.6
118.02972	3.1
119.03486	3.1
119.05071	1.4
120.43798	1.1
125.02445	3.7
131.03513	18.8
135.04576	1.2
139.28207	1.0
143.03513	4.5
145.02972	2.7
146.06129	1.4
147.03352	1.2
147.04512	3.3
149.04559	90.5
160.04022	3.4
161.04582	3.4
172.04044	2.0
173.04813	2.1
174.05602	20.1
179.03389	1.6
191.05618	19.6
193.06703	1.2
211.07736	1.2
221.06477	11.0
224.04930	1.6
224.07161	1.6
237.05586	1.4
238.06384	19.1
238.08733	1.5
239.07153	72.8
240.07758	4.8
251.07703	5.8
252.06665	4.6
265.07483	3.4
266.08218	58.2
267.08975	62.9
268.09488	5.0
293.08804	3.1
311.09808	4.7
332.43793	1.0
357.67062	1.0
380.83905	1.1
484.13217	1.2
490.81604	1.2
561.18542	59.1
562.18787	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	561.2552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05395	1.7
58.39236	2.0
59.01381	97.6
60.50201	1.7
61.98816	6.7
70.53425	2.5
71.01382	46.1
71.64866	1.4
73.02944	18.0
85.02950	5.6
89.02448	100.0
92.71523	1.5
97.03005	2.2
99.00882	27.3
101.01791	2.5
101.02448	42.4
113.02428	10.9
119.03515	2.9
125.02478	3.0
131.03522	17.7
138.44423	1.5
143.03479	3.7
149.04561	84.8
155.59825	1.5
161.04520	6.2
167.18478	1.6
191.05600	16.8
221.06711	8.9
251.07704	8.6
293.08722	3.5
311.09799	4.9
501.30292	11.8
525.26672	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	561.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	17.4
61.98834	9.0
65.29762	1.1
71.01382	5.7
79.95761	2.3
83.01397	1.6
83.05010	3.2
85.02957	1.1
87.94537	1.2
89.02438	3.8
96.96016	88.5
97.06570	1.2
101.02434	5.3
109.06509	1.0
113.02463	3.1
119.03505	1.8
125.09760	2.7
137.96228	1.1
153.09219	7.2
161.04561	2.9
163.11240	2.3
171.10295	9.9
178.10023	2.4
179.03448	1.4
185.11830	2.7
197.11800	4.7
201.11368	1.6
209.11827	23.6
211.13338	2.6
237.14911	3.4
246.45871	1.1
253.09274	12.7
289.18106	7.4
307.19128	34.0
325.20233	23.0
401.93173	1.3
474.21207	2.0
501.30521	8.8
543.28186	11.0
561.27460	100.0
562.27863	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	561.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.7
59.01382	100.0
60.01714	1.6
61.98830	16.5
65.72959	1.6
69.56192	6.9
71.01379	27.5
71.05035	1.6
73.02957	6.7
76.33004	2.0
83.01381	4.3
83.05049	5.4
85.02954	10.4
87.00909	2.3
89.02444	28.8
89.51413	2.0
90.77111	1.8
95.05034	3.4
96.96009	3.5
97.06577	1.8
99.00886	5.3
99.08150	2.3
99.46541	1.8
101.02448	24.1
113.02458	7.8
119.03535	5.1
125.09739	6.2
127.07650	5.2
131.03514	4.0
135.08195	3.3
137.09845	2.2
143.03459	2.6
149.04573	15.8
150.96075	1.7
153.09224	29.6
156.12032	1.7
161.04553	15.2
163.11343	4.6
171.10283	37.5
178.10016	2.6
185.11832	7.0
191.10851	2.2
197.11845	6.3
209.11839	63.8
211.13423	3.6
245.19135	3.4
253.09290	32.3
256.13199	2.1
289.18149	12.9
297.20605	4.2
307.19171	84.1
308.19394	2.6
311.10107	2.2
325.20242	56.0
348.42389	1.9
399.24808	2.6
474.21231	2.6
501.30597	17.9
543.28107	29.0
561.28857	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	561.2917
Annotation	Atractyloside D
Peak:m/z	Relative Intensity
55.01867	3.2
57.03434	3.5
59.01381	45.4
61.98832	8.9
69.03429	0.9
71.01382	44.8
72.64042	0.8
72.99286	1.9
73.02941	12.7
75.00846	1.1
83.01395	7.4
85.02947	20.2
87.00858	3.1
89.02453	20.5
95.01385	4.2
96.95993	0.9
99.00906	4.5
101.02446	31.4
111.00861	2.8
112.98811	1.4
113.02458	18.7
119.03507	10.2
129.01913	3.3
131.03456	1.0
133.02977	1.1
134.03696	0.8
135.04546	4.1
143.03474	1.9
149.04601	1.0
159.02991	2.3
161.04568	9.7
179.03505	2.6
179.05554	3.1
267.15967	3.2
293.02902	1.2
399.16174	1.0
399.23941	22.5
501.30722	3.7
525.22687	1.3
561.29156	100.0
562.29559	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	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	25.1
61.98831	22.8
69.03434	1.6
71.01377	13.2
73.02942	3.8
83.05034	5.6
85.02937	3.9
85.88895	1.7
87.00839	1.9
89.02431	10.1
92.01978	1.8
95.01363	2.7
95.05007	2.4
96.96006	8.1
98.21897	4.8
99.04530	4.4
99.08160	2.0
101.02460	10.7
106.43010	2.2
109.06592	2.3
113.02455	6.3
115.07631	3.1
117.54772	1.7
119.03513	4.2
123.08121	2.2
125.09711	5.8
127.07670	6.3
135.08134	2.6
137.09778	1.7
153.09212	20.5
160.84245	2.5
161.04573	4.2
163.11266	3.0
165.12857	2.8
171.10257	32.6
178.09981	3.4
179.05569	2.0
181.12175	1.9
185.11826	5.2
191.10904	2.0
191.14359	2.1
197.11810	9.9
209.11844	67.6
211.13376	3.2
236.10521	2.5
237.14923	5.0
238.12091	3.3
245.18996	2.9
253.09286	36.1
263.20004	2.4
289.18091	17.1
292.73441	1.7
297.20776	2.5
307.19150	100.0
308.19379	2.5
313.32809	1.8
325.20200	62.4
326.20505	2.0
327.29117	2.0
445.42264	2.2
474.20975	4.7
501.30869	8.0
505.58850	1.9
543.28143	30.1
561.28387	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.6
56.22102	0.4
57.52901	0.4
57.85486	0.4
57.85775	0.5
59.01381	100.0
60.01711	0.5
61.19935	0.4
61.98824	2.2
64.27576	0.4
71.01385	6.5
73.02956	1.7
83.01385	0.6
85.02950	3.2
87.00909	0.5
87.21201	0.4
89.02444	6.1
95.01418	0.6
99.00877	0.9
101.02443	5.9
101.03016	0.6
113.02465	2.7
119.03490	3.1
131.03471	0.4
134.43353	0.4
143.03542	1.1
149.04578	0.7
161.04607	2.3
179.05580	2.1
301.87631	0.5
339.25577	1.3
408.99936	0.5
501.30710	22.9
502.31464	1.9
536.62164	0.5
561.30389	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24678	0.3
59.01364	0.6
60.46539	0.4
61.98822	1.4
62.34940	0.3
69.10755	2.6
70.66833	0.4
78.95910	5.8
98.22604	0.8
116.80875	0.4
120.27976	0.4
152.99571	3.6
168.04305	1.1
224.06932	0.9
234.73436	0.4
242.07991	2.6
246.37289	0.4
279.23288	100.0
280.23630	4.0
476.27802	0.9
504.30991	45.5
505.30960	2.1
561.25470	0.9
561.33136	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	561.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70144	1.2
52.15832	1.3
54.48830	1.3
57.28136	1.4
61.47262	1.2
69.26931	2.4
69.27322	3.8
78.95905	16.2
93.13933	1.2
98.22626	2.4
111.33236	1.3
115.38121	1.5
152.99551	2.1
155.91293	1.3
168.04301	2.9
224.06979	7.8
242.07941	1.7
279.23294	98.9
280.23511	4.7
348.01877	1.5
356.25388	1.5
442.93073	1.2
504.31003	100.0
505.30933	2.5
525.07990	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89577	2.2
59.01382	100.0
59.60286	2.0
61.98831	30.7
69.22394	9.0
71.01382	52.2
85.02955	8.0
87.00868	1.9
89.02444	76.7
98.21889	4.5
101.02450	26.1
108.02164	2.8
112.38268	1.7
113.02455	20.8
119.03493	28.8
123.04539	6.2
131.03520	6.4
143.03502	6.5
149.04541	8.3
161.04585	8.7
179.05615	36.8
188.04759	2.8
203.07187	4.5
230.75133	2.0
279.06589	6.5
285.92575	1.8
287.15881	1.8
294.08896	2.4
309.08072	1.8
309.11285	9.0
316.57303	2.0
339.12366	20.5
340.12735	2.4
371.12048	2.0
381.13217	2.2
406.40012	2.1
424.07925	1.9
489.17401	5.4
501.17633	15.5
502.18695	2.9
503.25000	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	562.193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47692	5.2
59.01380	100.0
61.56343	6.6
61.98831	68.1
71.01389	61.7
73.02945	7.5
75.12984	4.9
85.02946	12.6
89.02448	87.9
90.80003	4.8
99.59370	5.0
101.02457	32.1
101.18562	5.0
113.02450	19.8
119.03516	32.6
131.03522	7.3
143.03468	7.4
149.04588	11.9
154.11766	5.4
161.04523	9.7
179.05597	28.2
263.07098	6.2
264.61429	5.6
281.08148	14.5
293.08185	7.3
296.10617	6.7
309.07745	61.0
309.11130	9.9
324.10056	37.4
339.12390	88.1
340.12738	10.7
341.13824	12.7
488.51212	5.9
490.08151	6.1
500.37958	5.9
503.19086	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	562.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	68.9
61.98834	7.8
69.24049	9.0
69.24452	15.4
71.01385	47.0
73.02944	10.9
85.02933	7.8
85.52656	3.9
89.02443	66.8
99.00877	22.7
101.02433	36.3
113.02429	9.6
119.03461	8.8
125.02415	4.3
131.03494	7.7
143.03534	4.3
149.04578	33.7
161.04573	9.3
189.12892	12.2
191.05623	4.7
192.56056	3.6
211.85388	3.6
251.07805	5.1
293.08847	8.6
358.49518	4.1
387.20148	6.4
392.12747	4.1
519.24481	100.0
519.31451	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	562.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.77038	1.1
78.95891	3.3
120.46606	1.0
121.02953	12.6
177.45741	1.0
179.03487	7.5
277.21704	36.2
278.22028	2.2
365.26926	1.5
366.27676	1.3
502.29410	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	562.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	100.0
74.72558	30.9
75.77640	30.8
80.68607	36.1
87.62543	30.4
91.00644	31.4
93.56944	30.3
130.08711	32.1
166.01416	29.2
474.56970	30.9
488.14487	34.7
531.56317	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	17.7
61.98829	100.0
69.13502	21.8
69.13908	6.7
72.04646	5.0
78.43909	4.6
96.96020	5.6
116.92924	5.6
120.26237	5.2
123.22688	5.7
146.57401	4.1
449.68344	5.5
525.37268	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	562.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.07690	1.0
61.98819	4.5
70.04176	1.1
76.13914	1.0
78.95889	7.0
79.52265	1.2
88.33591	0.9
96.77346	1.0
140.01241	1.7
165.12875	1.3
181.12157	1.0
192.25858	1.0
199.13383	22.1
205.79054	1.0
214.04886	3.4
279.19662	4.7
347.25848	3.6
365.26944	100.0
366.27304	5.4
493.00085	1.2
562.31543	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79973	0.8
59.01359	1.6
61.98804	1.3
78.95904	32.6
103.01485	1.1
122.00063	1.7
140.01178	9.6
145.88788	0.9
152.99576	1.4
165.12866	2.1
181.12334	2.0
196.03792	14.2
197.91447	0.8
199.13406	23.5
199.15247	1.7
214.04825	3.5
279.19623	9.1
347.25903	7.8
363.25415	1.0
365.26953	100.0
366.27225	5.6
498.23383	2.1
519.63904	1.0
535.69800	0.8
562.31470	68.7
563.31610	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	563.1043
Annotation	Isorhamnetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01376	5.4
61.98827	8.2
71.01385	1.9
73.02956	2.5
83.01390	1.0
84.95106	1.0
89.02441	1.2
100.59801	0.8
101.02467	2.6
107.01352	0.9
113.02483	1.7
122.03745	1.1
151.00401	3.9
157.02863	1.0
183.04518	1.8
199.03990	5.4
201.01883	1.2
211.03937	1.1
215.03441	1.5
227.03493	4.3
243.02969	17.7
244.03575	1.9
255.02968	17.9
256.03656	1.0
256.66425	1.4
270.99530	1.8
271.02496	36.9
272.03156	3.5
283.06244	1.7
283.60620	0.9
287.05597	2.6
299.01965	64.5
300.02747	27.8
311.05688	2.8
312.06390	1.1
313.98807	1.1
314.04340	42.5
315.05103	100.0
316.05460	2.6
328.41962	1.0
341.13980	1.1
357.06274	1.4
519.11407	45.2
520.11334	2.4
563.14221	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44200	0.7
59.01376	1.4
65.00344	1.0
66.53835	0.6
69.25585	1.7
69.25995	2.0
71.01391	1.1
77.03991	1.5
79.01894	1.5
89.02443	1.3
93.03445	1.2
95.01350	0.6
97.81258	0.7
108.14816	0.6
117.03472	7.9
121.02986	2.1
131.19870	0.6
135.04529	1.3
142.01540	0.6
149.02556	0.8
159.04504	1.7
161.02464	2.6
163.00369	0.9
163.04012	1.5
165.01958	2.0
175.00375	1.0
183.04457	1.6
197.06000	0.7
211.07668	1.0
224.04724	0.9
239.07207	2.4
253.05045	0.9
254.05804	1.3
269.04514	4.4
281.04614	7.1
282.05240	4.4
283.06113	54.5
284.06497	1.7
293.04498	1.9
295.06128	6.2
311.05606	100.0
312.05930	2.5
314.04391	0.8
321.03876	0.8
323.05637	8.2
341.06644	26.5
350.16895	0.7
353.06668	1.6
395.07721	2.9
461.58807	0.8
563.14044	59.2
564.14301	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	563.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.0
64.68892	0.6
71.08717	0.7
71.17125	0.7
77.03980	1.8
79.01907	1.2
79.92197	0.7
93.03434	1.6
117.03476	6.1
121.02958	1.4
135.00841	0.8
159.04472	1.7
161.02431	3.9
163.00346	0.9
163.04015	1.5
165.01955	2.1
169.06534	0.7
183.04503	1.1
183.08145	1.3
196.05257	0.9
197.06067	1.1
210.06909	0.8
224.04832	1.0
239.07141	2.6
269.04529	4.1
279.06506	1.1
281.04504	6.8
282.05405	3.7
283.06116	53.5
284.06464	0.8
293.04526	2.8
295.06070	6.4
308.03696	0.7
309.03790	1.1
311.05609	100.0
312.05939	3.0
314.04364	1.6
323.05621	8.6
323.96387	0.6
341.06647	25.9
342.06854	0.7
353.06561	1.7
371.07657	1.0
395.07657	3.3
529.28174	0.7
545.13477	1.1
551.05969	0.7
563.14026	68.9
564.14429	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44871	0.4
57.03450	5.5
59.01371	1.5
59.10141	0.4
61.98834	5.6
65.00321	0.9
68.99832	0.8
71.01377	0.6
71.92702	0.5
76.89548	0.5
81.03449	1.6
83.01387	7.2
85.06535	0.5
91.04906	0.4
93.03415	0.5
96.96015	0.6
97.02972	0.9
101.02450	0.4
107.01446	0.5
116.92880	0.8
119.05024	4.1
121.02956	1.0
123.04526	2.7
125.02446	100.0
126.02728	0.7
135.04558	1.1
135.14455	0.5
139.04018	1.3
147.66167	0.4
149.02441	9.3
151.00417	0.8
155.98721	0.4
163.04080	0.6
167.03522	7.9
168.24068	0.5
179.03531	0.8
189.05594	4.8
189.58528	0.5
191.03551	1.4
225.34366	0.4
240.77193	0.4
283.06104	2.0
288.69748	0.5
297.07443	0.6
311.05594	4.7
315.08728	30.0
316.09094	0.9
323.05438	0.4
329.08783	1.7
339.08780	5.3
341.06674	1.4
371.09888	0.7
381.52957	0.4
424.03223	0.5
430.41495	0.5
430.90903	0.5
443.56711	0.4
519.15033	10.2
519.22443	0.7
563.14203	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	563.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22419	0.3
70.91607	0.4
78.95901	10.2
79.04527	0.3
90.43174	0.3
92.02548	1.5
96.96963	1.5
107.03646	5.4
119.29509	0.3
123.52129	0.3
134.04726	100.0
135.05063	0.7
164.49908	0.3
176.99570	0.8
195.00627	2.6
215.59613	0.3
293.04352	0.5
316.93378	0.3
330.06033	2.1
428.09760	3.1
478.29727	0.3
563.15192	13.0
564.15308	0.6
591.79340	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70737	3.1
53.03486	3.0
59.01377	58.0
71.01383	41.4
71.42986	3.9
72.99295	4.2
73.02947	7.7
78.95900	9.3
85.02946	7.0
87.00887	14.9
89.02445	47.7
89.35699	3.2
92.92793	4.4
97.75204	4.0
101.02434	32.5
108.90211	10.0
109.90386	3.2
110.89935	7.4
113.02457	15.5
119.03500	7.2
142.56424	3.4
143.03534	5.1
143.52747	3.3
151.31856	3.6
152.66798	3.3
161.04575	8.9
179.05594	48.3
221.06674	22.8
243.39401	3.7
323.10080	5.6
341.10883	12.9
503.16168	100.0
504.16547	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67376	0.4
55.01879	1.3
57.03451	1.3
58.00617	0.6
59.01381	100.0
61.98824	3.8
69.03464	1.8
71.01382	36.1
71.43710	0.5
72.99303	1.6
73.02948	70.7
75.00876	0.9
78.91866	1.2
83.01389	17.3
85.02950	9.8
87.00881	2.3
89.02444	14.3
95.01378	2.5
97.02961	1.2
99.00872	1.9
101.02447	52.8
108.02172	2.3
109.02947	2.9
113.02454	27.8
113.03252	1.2
119.03507	7.7
121.02946	2.4
122.03780	2.2
123.04526	2.8
125.02473	2.4
131.03499	4.9
134.03748	0.5
136.01653	0.6
143.03500	5.5
147.04504	0.8
149.04564	7.0
151.04013	0.8
155.03514	0.8
158.03700	0.7
159.04489	3.6
160.05312	10.3
161.04579	13.2
161.05995	2.0
162.06839	0.6
171.04472	1.1
172.05296	4.8
173.06088	3.0
174.06757	0.9
175.03915	1.0
175.07645	4.0
177.01920	0.5
177.05539	0.5
179.05635	2.4
187.07622	2.2
189.05571	9.5
189.09125	0.5
190.04681	0.6
190.06363	10.5
203.05539	1.1
204.07745	0.9
205.08704	11.1
221.06561	1.9
253.08791	0.6
266.05707	0.6
280.07025	0.5
281.08270	2.9
283.06030	0.7
293.08096	0.6
295.09775	0.9
296.10498	5.7
310.08255	0.8
310.11667	0.8
311.05310	1.4
311.09436	0.5
311.12842	7.8
326.11264	0.9
327.21640	0.5
329.13635	1.3
337.06802	0.5
341.13916	51.9
342.13858	1.3
368.08813	0.6
383.10587	0.7
401.11923	1.3
503.19269	18.5
503.30307	0.7
521.20532	2.8
529.05725	0.5
563.12958	0.9
563.20508	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	563.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68364	3.7
54.33506	3.6
78.95911	50.3
104.79491	4.4
152.99596	57.6
171.00670	16.1
227.03194	4.7
245.04283	77.0
253.21678	38.2
267.01172	7.3
281.24969	7.7
329.99548	4.1
440.58014	3.9
481.25705	100.0
506.32059	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	563.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67303	2.0
76.50827	2.3
78.95455	1.9
78.95898	39.6
78.96334	3.8
80.32561	2.2
90.19665	2.3
96.96962	4.1
99.99087	2.8
106.77545	2.2
110.64016	2.8
118.48649	2.7
125.04954	2.5
140.63538	2.4
141.61043	2.8
152.99579	50.1
171.00613	12.9
187.04811	2.8
227.03299	3.3
231.69437	2.5
237.97610	2.5
245.04285	60.5
253.21696	35.5
256.72253	2.9
267.01321	3.7
276.71576	2.5
481.25754	100.0
482.25714	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	563.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95247	28.9
59.79634	32.1
61.98817	76.3
66.40006	33.4
69.83865	100.0
84.19302	30.3
98.22714	43.3
104.01051	33.5
149.63301	39.7
165.37877	31.7
291.19504	58.9
472.70291	38.4
563.25903	70.3
577.10602	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	81.5
61.98838	5.2
69.14710	6.1
71.01383	49.5
73.02946	16.6
85.02958	5.6
87.00906	1.3
87.77562	1.0
89.02448	100.0
90.53120	1.3
97.02946	1.3
98.21947	2.5
99.00272	1.7
99.00884	29.7
101.02441	40.1
113.02474	9.3
119.03521	6.9
125.02429	3.6
131.03505	16.1
143.03491	3.7
149.04565	72.9
151.72189	1.1
161.04544	4.8
179.05617	3.7
191.05618	17.9
199.36510	1.2
221.06662	9.1
251.07758	12.1
253.09221	1.5
293.08746	1.9
310.11807	1.5
311.09924	6.2
327.21750	3.1
339.12485	1.2
502.18085	1.3
503.24945	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01075	4.6
59.01377	95.5
59.40115	2.7
61.98838	27.3
70.83105	2.8
71.01376	49.3
73.02952	16.4
78.06886	2.9
83.01434	3.6
85.02950	14.9
87.00895	3.9
89.02441	100.0
96.95966	3.4
99.00890	31.7
101.02442	47.1
109.02990	3.3
113.02438	10.6
117.03450	2.9
119.03552	5.8
125.02457	3.8
131.03508	15.4
138.14352	3.1
139.31339	3.0
143.03490	4.7
149.04550	90.9
149.05669	6.1
191.05643	13.4
203.58063	2.9
221.06738	8.3
241.05156	5.9
251.07788	10.1
281.08267	3.4
283.06091	14.7
311.05588	27.9
311.09637	8.2
313.10724	3.2
323.10391	6.8
326.11621	5.2
341.06583	5.3
341.13904	4.8
344.12491	9.8
351.09827	27.3
359.15048	16.8
503.19162	39.1
503.25732	4.1
521.20319	21.5
531.16394	6.8
563.14270	15.5
563.21747	4.8
567.77191	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	563.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06696	0.8
52.11693	0.7
54.61936	0.7
69.23736	1.9
69.24142	2.5
78.95892	5.4
88.50923	0.8
98.21770	1.5
152.99565	4.7
168.04332	1.5
169.18304	0.8
218.90811	0.9
227.45647	0.8
242.08029	2.4
281.24860	100.0
282.25177	3.2
332.59210	0.9
477.66339	0.9
499.86896	1.0
506.32516	49.5
507.32742	2.5
513.08038	0.9
563.34637	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80701	2.6
60.55530	2.8
61.98820	2.7
64.86456	2.6
78.95903	32.7
121.51133	2.8
142.98154	2.6
152.99600	23.0
168.04301	4.3
171.00655	5.2
213.95755	2.8
224.06970	10.6
245.04265	28.9
253.21664	11.8
281.24863	100.0
481.25751	46.2
506.32492	99.7
519.26105	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	564.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	1.6
61.98840	1.5
63.79388	1.2
78.95901	74.3
80.65614	1.2
96.96021	12.9
98.22677	3.5
99.91976	1.7
99.92583	20.1
105.60775	1.3
110.98530	11.8
115.92112	2.0
116.92846	4.5
118.89975	8.8
134.89502	6.4
152.99594	5.4
155.95198	7.3
163.89729	11.6
164.90506	6.6
164.99634	3.8
167.01088	4.7
177.91277	2.9
178.88405	12.8
179.89214	22.5
181.90796	15.2
182.87120	4.1
190.68585	1.5
191.91331	1.6
193.90771	76.4
194.91638	9.7
195.92334	12.9
196.89502	23.7
199.87431	1.6
212.88187	6.7
219.92511	1.5
235.91843	7.5
238.55707	1.5
240.60292	1.4
245.04265	4.7
249.93446	11.1
250.94061	4.3
253.21733	1.6
254.22046	1.4
267.94342	2.4
277.21829	6.6
279.23312	3.6
382.91647	1.7
401.64072	1.3
405.85779	1.4
471.12674	1.7
481.25467	3.8
482.25806	3.6
510.14630	2.0
526.15924	1.8
528.15845	100.0
529.15961	3.7
557.70636	1.4
564.13208	3.3
576.07159	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
69.13568	0.4
69.13972	0.9
71.01390	1.1
73.02930	0.3
89.02438	1.0
98.21886	0.4
103.93199	0.2
114.66855	0.2
125.02420	0.3
131.03500	0.5
135.04517	2.3
139.18367	0.2
147.03293	2.0
149.00978	0.2
149.04558	0.5
160.03976	0.3
161.04582	0.2
162.05606	100.0
163.05949	1.5
179.03406	0.2
185.49776	0.2
191.05659	0.2
270.11349	33.5
271.11588	0.9
293.08923	0.8
330.11594	0.2
500.65585	0.2
564.20856	18.5
565.21289	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39629	0.5
59.01378	5.7
61.98831	100.0
62.03670	0.5
63.95037	0.5
64.25665	0.5
70.65231	0.5
70.65604	1.0
71.01371	3.0
76.59525	0.5
89.02463	5.2
95.01443	0.6
97.37784	0.5
101.02460	1.2
103.41645	0.5
113.02446	1.5
119.03513	3.1
119.61558	0.5
140.02583	0.5
161.04568	0.6
179.05667	2.1
227.77905	0.6
281.08286	0.5
313.97760	0.5
341.13846	1.1
468.89200	0.6
521.20605	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	564.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59193	0.7
59.01381	6.0
61.98831	100.0
71.01380	3.7
71.42059	0.8
75.80264	0.7
87.94587	0.6
89.02448	5.4
101.02450	1.8
101.55801	0.7
113.02459	1.3
119.03515	2.0
167.02274	0.7
179.05693	1.7
180.88374	0.8
193.05138	1.1
209.08372	1.0
306.07925	1.1
341.13678	1.1
521.20490	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	564.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05668	0.2
59.01378	1.4
60.21593	0.1
61.98829	100.0
62.75438	0.2
64.09187	0.1
69.22677	0.9
71.01384	0.3
89.02442	0.3
101.02467	0.2
103.09932	0.1
130.08774	0.2
161.04555	0.1
189.07124	0.2
374.17603	0.2
503.32797	0.2
504.32858	0.7
564.25311	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14044	0.6
59.01379	28.0
60.01713	2.2
61.98830	100.0
71.01384	8.9
72.01731	1.1
72.99303	0.7
73.02946	16.8
74.03304	1.6
74.50893	0.6
79.84954	0.6
83.01403	4.5
84.01711	0.7
85.02956	2.0
87.00900	0.8
89.02457	2.9
91.51486	0.6
95.01423	1.2
101.02449	12.2
102.02783	1.8
113.02441	6.0
114.02780	1.6
119.03500	1.4
119.72974	0.6
121.23637	0.6
125.02505	0.7
129.92412	0.6
131.03461	0.7
135.04561	0.8
149.01007	0.7
159.04631	0.8
160.05324	1.9
161.04541	2.1
161.05783	0.8
162.04918	0.9
172.05339	1.1
179.05727	0.7
186.80371	0.7
189.05583	1.8
190.06248	2.2
205.08714	2.3
206.09013	1.4
281.08255	0.6
282.08533	0.6
290.78189	0.7
296.10544	1.0
297.11060	1.2
311.13000	0.9
312.13397	1.3
341.13956	4.5
342.14270	10.0
356.66830	0.7
401.05441	0.6
504.19876	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	564.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	98.4
61.98829	83.9
69.11539	45.0
69.11936	33.1
71.01391	13.6
72.48706	10.9
72.94880	11.6
74.95337	10.6
82.57210	11.6
101.02443	11.6
101.13462	11.9
144.41905	10.5
162.83958	14.2
564.27429	18.7
564.34857	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	564.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61422	11.7
55.55121	12.8
59.01379	38.2
61.98832	100.0
78.96005	11.1
86.26764	11.7
98.21835	23.8
116.06660	12.3
155.37038	12.9
166.75148	13.3
342.51428	13.0
390.28540	13.7
506.57413	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	564.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95680	9.5
59.01369	32.3
61.98827	54.5
65.51952	9.1
71.07919	15.7
94.40842	9.3
110.24207	8.7
127.87035	13.9
147.93320	9.1
162.83919	100.0
207.98755	11.8
278.34421	10.5
358.97736	14.6
402.96954	12.1
439.93411	11.6
446.95419	9.5
525.95288	39.6
527.94727	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29193	15.0
59.01374	33.8
60.05560	14.1
61.98835	100.0
69.13154	81.1
69.13578	31.1
76.37163	17.4
78.95882	14.7
92.21615	14.4
118.84796	14.8
119.05060	17.3
165.10951	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	564.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	27.8
61.98820	100.0
69.09276	77.4
71.97334	14.9
82.95444	14.8
91.61861	12.2
98.21877	31.3
120.62958	13.0
125.08648	12.9
225.51767	15.3
250.29942	13.9
291.15933	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	565.0477
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
58.79684	0.4
59.01383	0.7
62.96410	0.7
66.57398	0.3
66.93430	0.4
70.03547	0.5
70.03893	0.8
78.95906	100.0
91.03095	0.3
96.96077	2.1
96.96964	39.1
111.02007	8.3
120.96968	2.1
121.43512	0.3
138.97995	3.5
150.98038	2.8
151.23967	0.3
155.67352	0.3
158.92542	15.0
164.03415	0.4
174.98027	1.6
176.93596	1.0
179.21455	0.4
192.99083	1.5
197.81970	0.3
211.00125	5.1
240.98912	0.3
241.01205	8.4
241.03693	0.4
254.85431	0.5
267.63284	0.3
270.82687	0.4
272.95688	4.3
280.02203	2.4
305.01810	1.5
320.97647	2.0
323.02850	48.2
324.03098	1.1
384.98456	3.3
402.99530	1.4
428.73752	0.5
448.30780	0.4
512.65997	0.3
565.04773	21.7
566.05121	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1927
Annotation	Fraxiresinol 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01873	1.1
58.00584	0.6
59.01380	45.3
61.98832	2.7
67.93371	0.5
69.14283	3.1
71.01380	20.5
72.99317	1.0
73.02943	0.7
78.97746	0.5
83.01381	1.3
85.02952	4.6
87.00872	1.0
89.02444	18.8
89.81148	0.4
95.01389	2.0
101.02445	11.1
108.02164	1.5
109.02965	0.7
111.00890	0.8
113.02453	6.2
119.03511	8.0
119.04916	0.5
123.00903	2.1
123.04510	0.7
124.01658	0.8
125.02413	0.6
127.00321	0.7
131.03555	0.6
134.03766	3.4
136.01659	13.5
137.02467	2.5
138.03236	2.8
139.00369	3.2
143.03532	1.1
143.05081	1.5
145.06589	1.6
146.03731	1.5
147.04515	1.0
149.04535	0.6
149.06091	0.9
151.04008	23.7
152.01138	0.8
153.01921	3.1
159.04547	4.1
160.05307	16.0
160.06639	0.8
161.02444	0.8
162.03185	0.6
166.02687	2.6
167.03470	0.7
173.02422	1.1
174.03252	1.9
175.04021	1.7
175.07643	11.3
178.02701	2.1
179.03452	0.7
179.05602	1.6
180.04271	0.7
181.05040	2.0
185.02399	1.2
186.03169	1.1
187.03996	1.8
188.04776	2.6
189.01952	1.9
189.05516	1.0
193.05072	6.7
194.05763	1.1
201.01929	0.5
201.05627	1.1
202.02724	5.5
202.06267	1.1
203.03494	8.1
203.07097	1.8
204.04224	2.6
216.04250	0.9
217.05090	8.9
218.05844	9.1
219.06596	0.9
231.06593	0.9
232.07401	2.1
233.08165	14.5
249.07677	0.6
254.05644	0.7
265.05081	0.9
266.05963	0.9
269.08237	0.8
277.05051	0.7
281.08017	1.2
282.05295	1.0
292.03760	0.8
293.04532	2.1
294.05267	1.3
297.07617	1.3
309.07718	2.7
310.04764	1.4
321.07675	0.8
323.09412	0.7
324.06519	0.6
324.10065	1.6
325.07141	4.2
337.07449	0.8
340.09491	6.7
341.10260	0.8
355.11868	31.3
356.12366	1.2
367.11877	4.2
385.08279	0.9
385.12946	13.3
388.11612	0.9
389.12463	1.3
403.13931	5.2
419.84119	0.6
435.91107	0.5
550.17206	1.2
551.18201	0.5
565.19257	100.0
566.19592	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	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98848	45.3
69.32916	100.0
69.33302	61.1
78.95897	39.9
135.30850	33.7
159.45618	34.9
166.36757	35.4
173.86598	37.7
216.49901	39.3
275.20193	42.3
293.21503	40.5
355.44620	40.3
402.51825	49.2
565.27887	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.279
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42313	33.0
67.12511	39.0
69.40970	57.6
69.41371	100.0
69.47202	28.7
117.73067	29.2
119.46673	32.4
170.09798	30.8
182.67441	31.9
191.36360	39.7
236.52803	34.3
330.68420	32.0
400.28555	33.6
464.06134	40.0
565.27460	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
57.15053	78.9
61.98824	97.1
71.28825	73.9
90.80392	75.4
93.96305	72.5
98.18541	73.3
162.92406	100.0
215.32062	79.9
555.40356	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.362
Annotation	Unknow
Peak:m/z	Relative Intensity
70.36417	2.7
78.95900	30.1
81.87050	2.4
94.92496	4.8
102.77826	2.6
124.62438	2.6
152.99593	19.1
168.04385	3.0
193.90770	6.6
224.06873	6.4
227.03224	3.4
255.23277	40.7
283.26407	100.0
306.04868	2.8
483.27237	29.6
508.34088	89.7
509.34344	4.8
530.17322	7.5
565.36212	5.2
566.36237	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	566.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14428	0.2
63.02388	0.2
65.03960	0.4
69.71963	0.6
71.01373	0.5
89.02431	0.3
93.03455	91.9
94.03796	0.7
95.05009	0.2
105.03461	1.1
121.02958	3.5
122.03728	0.6
133.02957	0.3
133.85535	0.2
134.06120	17.0
135.04552	0.4
137.02391	0.4
148.01672	4.6
149.02409	0.4
151.06378	1.0
152.07173	7.6
152.08401	0.5
162.05626	1.1
163.05881	0.6
164.06023	0.2
168.06726	0.3
177.01915	0.2
178.05087	31.4
179.05525	0.7
180.00635	0.7
180.06631	0.2
228.10274	3.4
254.08324	1.0
270.11273	0.4
271.11435	0.4
272.09265	100.0
273.09656	2.6
314.10254	0.9
566.18750	10.1
567.19067	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08697	1.3
54.09915	1.2
59.01390	9.5
60.99292	1.3
61.98837	3.7
69.16479	4.4
69.16889	3.8
71.01391	3.0
75.56530	1.1
83.01412	1.6
87.00885	11.0
88.98819	9.0
89.02439	2.4
90.26828	1.2
101.02450	1.5
107.01396	1.5
107.05083	1.2
109.02963	5.4
111.00896	1.2
112.98813	43.4
116.92874	2.2
117.15676	1.4
123.04494	2.6
125.02444	3.7
128.13092	1.2
130.99870	4.0
133.02946	5.7
134.03751	5.2
135.04530	100.0
137.02426	4.9
139.00386	3.4
145.02965	1.3
149.06068	1.4
151.00357	5.8
151.04031	2.2
155.14470	2.4
161.02438	13.7
163.03995	7.5
167.03540	3.3
174.05670	1.8
176.17691	1.5
177.01942	3.2
179.03494	78.2
180.03926	2.2
181.12318	2.6
183.13838	3.1
191.03473	5.8
199.13333	1.9
204.02950	2.4
204.67909	1.6
219.03008	22.4
229.14468	25.7
231.02928	2.5
237.15024	3.9
255.16023	66.6
256.16391	3.3
263.07428	1.5
272.18671	91.6
273.07614	2.5
273.19101	3.0
275.02026	1.8
293.03040	31.5
309.07837	2.6
326.06659	3.6
328.28027	1.4
339.12262	3.1
340.12592	1.4
390.16296	1.6
404.19287	50.7
404.24619	3.1
405.19571	3.2
434.22025	3.7
488.11966	7.1
533.82043	1.5
535.85034	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49988	0.2
59.01377	2.9
61.98830	100.0
62.36575	0.2
64.09173	0.2
69.78568	0.3
69.78910	0.4
71.01393	1.2
72.01753	0.2
76.37349	0.2
83.01421	0.2
85.02969	0.2
89.02438	1.9
101.02464	0.9
113.02456	0.4
119.03506	0.8
134.03761	0.3
136.01682	0.3
145.03011	0.6
151.00356	0.2
151.03998	1.1
152.04373	0.2
159.04556	0.3
160.05296	0.4
161.05684	0.2
166.02762	0.2
175.04033	0.4
175.07631	0.4
176.04874	0.3
179.03540	0.6
179.05661	0.5
181.05052	0.3
191.07246	0.4
193.05075	0.3
194.05771	0.4
209.08304	0.6
218.05791	0.5
233.08153	0.5
355.12164	0.2
356.12302	0.9
385.12961	0.3
386.13373	1.4
403.14114	0.5
404.14423	1.2
485.13913	0.9
566.19537	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	566.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60671	0.1
59.01376	0.5
61.98831	100.0
63.18103	0.1
69.66518	0.5
71.01403	0.3
72.85001	0.1
78.40376	0.1
89.02460	0.4
95.64886	0.1
96.96024	0.3
98.22541	0.3
101.02463	0.2
113.99577	0.2
122.03718	0.2
149.02443	0.1
149.04559	0.2
150.03293	0.4
150.04890	0.2
156.00664	0.2
165.05550	0.2
169.05544	0.1
174.01675	0.6
179.05666	0.1
194.37939	0.1
195.06622	0.3
229.17642	0.1
356.47549	0.1
566.17688	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	566.297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12580	13.9
53.28185	13.1
59.01369	56.7
61.98820	47.1
69.11604	100.0
89.09090	13.8
108.80443	12.7
187.13322	13.9
201.92526	14.8
566.30054	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3334
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	64.1
61.98822	100.0
69.54362	94.7
95.99272	26.0
96.14298	25.3
135.10628	28.6
153.82335	28.0
175.63914	26.0
319.22751	45.5
361.23642	31.4
514.44434	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28990	22.7
59.01379	23.5
61.98824	100.0
64.03303	19.5
64.75481	19.9
102.98632	25.5
193.76877	23.4
194.50511	20.1
221.95988	21.2
319.19321	42.3
550.53442	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82069	0.6
59.01379	1.1
60.99305	18.3
61.98825	2.5
62.14045	0.7
71.01373	0.9
88.98802	100.0
119.05093	0.8
123.04515	2.5
125.02489	1.5
135.04527	1.2
167.03484	8.1
179.03461	1.9
220.14880	0.6
243.02962	2.8
270.01807	0.7
271.02451	2.7
272.18680	1.1
273.07657	7.2
285.04025	1.0
300.02795	0.9
314.04346	5.3
315.05109	1.0
477.10312	8.0
488.24991	0.7
567.17426	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24592	6.9
59.01388	14.4
69.62937	13.3
71.01366	12.3
79.81736	7.7
80.89928	6.7
87.00900	20.9
109.02953	17.4
111.00899	15.7
115.00385	54.0
129.66875	6.9
135.04544	11.9
139.00401	21.5
156.00673	16.8
157.01431	32.6
174.01695	31.1
174.03134	8.0
175.02473	54.0
191.03526	9.7
193.05064	50.2
207.06609	20.5
233.04535	24.1
234.05200	11.1
235.37717	7.1
251.05763	8.6
275.05542	8.3
279.05051	8.6
307.08258	100.0
309.06119	7.5
413.45914	8.2
425.95996	7.3
469.13492	73.5
471.11417	38.8
495.11526	10.0
513.12488	57.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	57.0
63.29799	0.9
69.58763	2.0
69.59153	2.0
71.01382	30.5
72.99295	1.3
77.79074	1.0
83.01364	1.4
85.02963	5.8
87.00863	3.4
89.02444	37.0
94.98058	1.0
95.01368	2.4
96.96021	1.9
98.21819	1.2
101.02445	16.2
103.32964	1.0
109.02926	3.0
112.98770	2.1
113.02446	12.1
114.64123	1.0
119.03508	17.5
124.01609	1.1
131.03517	1.6
133.02943	1.1
135.04523	2.0
136.01654	7.5
137.02400	1.4
139.04015	1.3
143.03477	1.9
149.04497	1.0
150.03177	1.2
151.04007	8.6
161.02351	1.1
161.04565	1.7
165.05545	1.3
166.02669	1.6
175.04015	0.9
179.03465	2.0
179.05618	4.1
181.04973	1.4
187.03937	4.8
188.04778	1.9
202.06316	1.7
203.07030	1.5
211.13884	0.9
217.05145	1.5
232.07341	1.3
241.60271	0.9
250.06378	1.0
273.16959	2.6
277.04932	1.5
278.05750	1.9
287.68851	1.0
292.07660	1.1
293.08139	3.9
306.05328	1.6
307.06195	1.0
307.09653	1.4
308.10480	1.6
309.07721	4.7
310.08228	1.6
311.09470	1.2
321.07675	1.5
323.09149	2.9
324.06329	1.8
324.09998	2.4
338.11533	1.4
339.08649	9.3
339.12427	5.2
353.10135	2.7
354.11124	11.1
357.13434	5.2
369.13412	100.0
370.13666	3.6
479.22064	0.9
549.19727	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98826	5.6
69.03423	2.9
69.18592	17.0
71.01383	42.0
71.07655	2.6
72.20724	2.9
73.02950	34.6
77.26525	3.0
78.95902	4.4
83.01371	6.3
85.02956	22.5
87.00879	12.3
87.04478	3.2
89.02442	21.6
97.02934	4.8
98.21866	5.8
99.04565	3.2
101.02441	44.8
103.04016	14.9
109.02950	3.5
113.02460	8.9
115.04026	6.0
119.03474	6.3
125.02456	7.2
127.04017	7.5
131.03517	7.8
143.03531	7.7
145.05142	4.2
163.06146	23.1
192.60396	3.1
199.11293	19.1
205.07237	13.1
217.12273	4.7
251.93355	2.9
507.22479	11.3
509.27048	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.281
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82178	5.7
52.08780	6.3
59.01382	90.5
61.98832	12.7
69.20650	39.2
71.01397	15.6
72.09669	6.8
73.02948	39.3
85.00581	6.0
85.02946	15.3
89.02429	7.9
101.02420	13.6
113.02478	8.2
210.84550	6.9
319.22592	40.0
366.15204	6.7
410.43890	6.4
523.29089	100.0
524.30151	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	567.281
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	7.4
66.18889	1.0
69.15060	2.9
69.15480	3.8
71.01374	2.4
73.02937	7.9
75.00874	1.1
75.70496	1.0
78.35139	0.9
83.01388	1.4
86.30914	1.1
87.85368	1.2
101.02456	1.2
103.25601	1.0
115.78408	1.0
128.61052	1.2
152.52522	1.1
157.65393	1.0
214.54881	1.1
319.22760	100.0
320.22986	3.3
333.24387	1.9
364.62143	1.1
384.89398	1.1
468.73300	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2812
Annotation	Leukotriene F4
Peak:m/z	Relative Intensity
55.01874	1.0
57.03469	1.0
59.01381	69.4
67.92965	0.7
69.21484	1.1
69.21881	3.0
71.01386	20.8
72.99313	0.8
73.02949	20.1
78.89880	0.7
81.53224	0.7
83.01389	4.5
85.02950	6.4
87.00867	1.5
89.02450	15.6
95.01404	2.0
99.00881	0.8
101.02443	17.9
113.02449	8.9
117.22490	0.7
118.78859	0.7
119.03526	5.2
131.03589	0.8
138.23299	0.7
143.03461	1.3
149.04550	0.9
161.04568	2.0
179.05640	0.8
189.16400	0.8
225.44084	0.8
301.21738	3.2
463.26932	2.0
481.27914	3.7
523.29144	100.0
524.29486	6.2
527.37878	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25268	8.3
54.10971	8.0
59.01362	23.2
61.47931	9.5
61.98838	10.3
63.17051	9.1
69.14393	36.6
69.14814	24.8
70.81062	9.1
84.71590	11.1
86.01750	9.2
98.22609	20.7
101.39506	10.1
154.77699	10.2
183.91315	10.1
189.31471	11.5
253.09238	12.6
293.21072	11.4
319.22748	100.0
365.00635	9.5
412.53604	10.0
547.47772	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	567.367
Annotation	Unknow
Peak:m/z	Relative Intensity
62.86543	11.9
78.95900	76.0
85.33145	10.4
89.88536	10.9
96.15080	10.5
96.60593	9.9
96.96013	100.0
99.92561	15.4
152.99577	11.5
179.89079	14.7
193.90771	51.0
194.90916	16.3
197.89604	11.7
216.46272	10.5
255.23294	26.5
264.91736	12.4
281.24844	38.5
299.38535	12.3
483.27316	16.1
509.28772	23.6
530.17462	19.6
531.17938	67.7
567.18854	14.1
567.36932	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	568.146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	7.2
59.01389	4.1
61.98829	12.2
83.01381	6.9
87.00872	4.2
96.96009	6.6
97.75587	2.6
105.98663	2.5
107.01386	3.6
109.02940	6.6
112.98804	8.1
123.04485	7.2
125.01514	5.2
125.02451	100.0
135.04514	18.8
137.02457	3.6
149.02420	4.8
151.00386	11.8
151.04008	6.4
152.01111	8.5
153.01971	13.1
161.02473	3.9
174.03140	3.2
175.04001	23.0
177.01970	24.5
178.99884	12.5
179.03455	15.7
181.01422	4.5
188.04826	3.7
189.05525	4.2
193.05022	5.2
199.03973	10.2
201.01884	3.8
211.03810	2.9
217.05070	11.8
241.05122	8.2
257.04544	3.3
274.20212	36.3
275.05722	6.0
285.04053	81.6
286.04370	5.3
293.03131	5.1
303.05060	68.1
304.05212	4.1
406.20959	11.0
568.11554	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	568.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41242	0.7
59.01387	4.0
61.98830	4.6
66.87056	0.8
69.38860	1.5
69.39240	1.8
84.99300	1.1
87.00882	5.9
88.98801	2.2
96.96021	1.4
103.00357	1.0
109.02940	3.7
112.98053	1.3
112.98811	20.1
122.49132	1.0
127.00372	1.0
130.99843	1.2
133.02917	2.8
134.03726	2.0
135.04527	44.8
136.04820	1.3
137.02425	1.0
139.00288	1.6
157.04132	0.8
161.02443	6.5
163.04013	3.4
163.73749	0.8
177.05624	0.8
179.03502	35.4
180.03790	0.8
187.43141	0.9
191.03496	2.4
213.15057	4.4
219.02957	8.6
231.02954	1.2
242.17715	1.2
256.19095	2.1
273.40033	0.7
274.20245	100.0
275.20468	2.5
293.03058	17.3
327.42038	0.8
377.02725	0.8
391.59036	0.8
396.53903	0.9
406.20844	26.5
436.23328	2.6
437.74344	0.8
468.66290	0.8
568.26831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	64.9
61.98834	100.0
71.44200	27.0
101.00192	25.4
105.80700	24.1
115.26695	20.4
119.74857	20.3
130.90259	20.0
166.59402	25.5
259.20966	24.0
395.05002	30.0
397.84479	26.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78850	1.1
59.01383	1.4
61.48530	1.0
69.68192	3.0
71.01383	9.8
77.07836	1.1
98.21977	1.6
115.00370	7.7
116.92850	1.3
119.05026	39.5
133.01408	4.9
135.04568	1.4
163.04008	100.0
164.04378	2.1
170.61208	1.1
198.66486	1.2
279.05051	6.0
297.27231	1.4
458.06238	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2009
Annotation	Gigasol
Peak:m/z	Relative Intensity
59.01377	69.8
61.98817	19.5
63.82936	5.6
71.01376	38.6
71.42979	7.5
73.02950	11.5
76.40806	6.4
89.02441	85.5
95.11370	6.6
96.96008	5.8
99.00872	22.9
101.02441	47.9
113.02429	10.1
125.40520	6.1
131.03505	15.4
142.57999	6.3
149.04558	100.0
161.04620	7.0
171.10237	24.8
174.29321	6.0
191.05605	23.5
206.16919	6.1
221.06602	15.3
251.07655	19.7
311.09775	19.9
397.13303	10.6
415.14291	11.3
569.20087	80.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
66.59528	0.2
71.44815	0.2
73.02936	0.5
75.00870	0.8
80.76001	0.2
87.00871	0.2
89.02434	0.2
96.96014	0.2
99.00885	0.2
99.92585	6.9
99.93257	0.3
100.92584	0.2
114.93431	0.3
116.92863	100.0
117.01934	1.2
117.92870	2.0
144.41400	0.2
247.60191	0.2
378.81601	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.4
57.03441	1.5
59.01381	100.0
61.98832	7.9
65.48077	0.8
69.16634	5.5
71.01382	40.0
72.99322	1.5
73.02943	6.4
82.40620	1.1
82.95435	1.0
83.01389	4.0
85.02942	8.1
87.00874	3.4
89.02447	54.9
95.01407	2.3
96.96013	23.1
96.96956	1.4
97.02926	1.2
99.00925	1.1
101.02446	46.2
102.99477	1.0
110.67112	1.0
113.02447	18.4
114.93394	1.4
116.92912	1.3
119.03510	22.3
125.02441	1.0
131.03497	2.4
132.56601	0.9
141.58139	0.8
143.03497	7.2
149.04533	3.6
161.04550	17.5
179.05627	34.2
195.71722	0.9
299.20163	2.8
317.21246	3.3
329.21405	2.1
347.22275	8.0
446.14825	0.9
483.15472	2.5
509.27588	32.1
510.28098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64919	5.3
59.01117	6.2
59.01380	100.0
61.98824	9.1
69.21907	19.3
69.22308	11.7
70.54713	4.5
71.01367	8.9
98.22650	7.6
101.02420	6.0
109.55161	4.7
145.93762	5.2
157.64391	6.1
176.76064	5.3
358.99634	5.1
465.28513	8.4
525.30444	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	569.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
57.03440	6.4
59.01380	100.0
61.98809	4.8
68.09516	3.2
71.01018	3.6
71.01386	61.7
72.95230	2.7
73.02934	20.9
78.91877	5.2
83.01386	8.8
83.19196	2.8
85.02958	26.2
87.00896	3.3
89.02440	8.1
95.01385	3.0
96.17326	2.4
96.95993	3.3
99.00874	7.8
101.02463	39.4
112.98730	3.2
113.02462	26.4
125.02433	3.5
141.01747	2.6
143.03520	5.5
149.00902	4.3
155.18575	3.1
159.03004	7.0
161.04561	59.2
166.88948	2.5
200.86955	2.9
230.80803	2.8
237.69505	2.6
266.26868	2.8
274.20261	7.6
275.20596	4.7
276.09827	3.0
329.21103	6.4
347.22192	8.1
368.70343	3.3
497.69565	2.7
509.27573	96.4
510.27393	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	569.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98830	1.7
66.27628	0.7
67.00208	0.7
94.19808	0.8
204.25784	0.9
238.78949	0.8
252.12325	0.8
391.15070	0.9
465.28348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.7
61.98827	4.1
70.19871	1.5
71.05009	3.6
72.61242	0.6
74.02477	2.0
81.03445	0.8
82.95422	1.8
83.05009	1.7
84.04543	3.8
95.05015	2.0
96.98896	0.8
97.06607	3.2
98.21938	0.7
99.08151	1.0
100.04025	1.2
100.07704	0.9
102.05614	48.9
109.06640	0.7
111.08157	0.7
113.06094	1.7
113.09697	0.8
114.09264	1.0
115.07661	7.5
116.10267	0.6
125.09741	0.7
127.11283	1.9
128.03546	71.5
128.10722	0.7
129.03862	1.0
139.11256	0.6
140.20212	0.7
146.04596	10.7
156.10306	7.6
158.11905	7.0
163.03813	0.6
165.12837	5.0
167.10765	2.4
167.14458	6.7
168.81839	0.6
169.12386	1.2
180.14040	0.7
193.15997	0.6
209.11844	10.3
211.13423	7.1
227.12897	11.4
229.14445	6.3
239.16571	1.7
245.13690	0.7
252.19684	1.0
254.17557	1.9
257.17615	4.3
272.18790	4.1
281.17636	1.5
281.21155	2.7
288.18155	1.7
296.18640	1.1
299.18713	2.2
312.18216	2.0
324.21695	1.2
326.23416	0.8
342.23010	1.2
357.23749	1.2
368.24344	1.0
422.29257	3.8
422.93198	0.8
440.30124	11.6
455.27893	0.8
497.28821	4.0
525.36005	0.8
533.32129	2.2
551.33398	45.1
552.02539	0.8
552.33948	1.9
569.34424	100.0
570.34680	4.0
584.90527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
57.78680	0.4
59.01382	3.1
61.98832	4.1
62.73866	0.4
65.26319	0.4
68.02795	0.3
69.13131	0.3
69.17661	2.0
71.01362	0.5
71.05014	2.3
74.02458	1.3
82.95427	0.6
83.05017	1.5
84.04540	2.6
96.96049	0.4
97.06573	2.5
98.22698	0.6
99.08159	0.5
100.04085	0.5
102.05610	31.3
109.06580	0.5
111.08115	0.4
114.09252	0.9
115.07652	5.8
128.03545	46.9
128.10818	0.5
131.07132	0.7
137.09700	0.5
138.09268	0.8
143.10811	0.6
146.04605	8.1
156.10301	10.2
158.11879	8.5
165.12875	3.6
167.14412	2.4
174.11302	0.9
209.11850	6.9
211.13339	2.1
227.12898	9.3
229.12474	0.4
229.14429	2.1
239.16539	1.4
241.18097	0.5
254.17529	0.4
257.17606	4.5
263.16498	0.6
268.19150	0.5
272.18842	0.8
281.17493	1.9
281.20923	0.7
283.19064	0.7
298.23837	0.4
299.18625	2.1
312.18106	1.7
324.21753	1.2
342.22794	1.6
366.22864	1.0
373.97641	0.4
384.23520	0.5
440.30145	12.5
441.30499	0.7
448.71561	0.4
478.65375	0.4
482.48187	0.4
509.35495	0.5
525.35693	0.9
551.33398	5.9
569.34436	100.0
570.34875	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	569.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11248	1.0
57.03437	3.9
59.01124	1.1
59.01382	19.1
61.98833	6.0
61.99090	1.0
69.06626	7.5
71.05010	7.4
84.04576	2.2
96.33729	1.0
96.95997	1.3
101.02406	1.1
102.05609	33.3
113.06087	2.2
128.03542	46.0
139.11261	1.2
143.10789	7.9
146.04610	6.9
167.14380	14.8
177.54190	1.3
181.12245	1.2
185.11823	2.3
211.13385	13.4
229.14430	12.4
252.19737	2.4
254.17596	3.9
272.18710	7.8
281.21246	1.5
357.24014	3.2
377.13312	1.2
433.99774	1.1
440.30161	11.8
551.33063	5.7
569.34436	100.0
570.34857	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	570.135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62896	0.7
66.00957	1.8
69.22741	0.8
78.95901	33.7
81.02987	0.9
93.25043	1.0
96.96011	1.1
96.96967	7.0
107.03632	3.3
108.02035	2.8
125.03567	14.7
126.03123	3.1
133.01555	49.4
142.20169	0.8
150.04211	100.0
175.22206	0.8
176.99561	2.9
189.67088	0.9
190.01765	1.0
195.00616	13.3
195.88359	0.9
275.03229	0.9
293.04251	3.0
321.04901	5.3
419.08438	8.1
444.09012	4.2
570.13470	46.6
571.13196	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	571.0395
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72215	0.4
79.95734	2.6
87.00859	0.3
96.96011	100.0
104.03339	0.2
112.98756	0.2
116.92831	0.2
135.04523	1.6
149.00912	2.8
150.46928	0.2
163.03986	0.2
175.01343	0.2
179.03487	2.3
186.12671	0.2
219.03065	0.3
293.03122	0.7
311.04047	2.6
322.54633	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33501	0.2
55.15115	0.2
69.28252	0.2
69.32564	1.0
79.95736	2.1
87.00875	0.3
96.96010	100.0
112.98834	0.4
116.92870	0.2
135.04507	1.7
149.00899	3.4
161.02339	0.3
179.03493	2.2
219.03058	0.2
284.13589	0.2
293.03104	0.9
299.68121	0.2
311.04092	2.3
368.48828	0.2
502.68036	0.2
567.83215	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63795	0.2
58.01142	0.2
59.01373	0.8
67.23505	0.2
71.05896	0.3
72.99306	0.5
74.52656	0.2
79.95731	2.4
87.00877	0.9
94.98174	0.2
96.96011	100.0
98.71700	0.2
99.92571	0.7
107.05063	0.3
109.02946	0.2
112.98809	0.7
116.92866	2.2
133.02971	0.5
135.04523	5.9
149.00909	8.0
161.02435	1.0
179.03494	7.1
191.00220	0.5
193.99406	0.2
204.96190	0.2
216.98224	0.6
219.02977	0.8
234.99210	1.4
248.97104	0.5
261.00845	1.5
277.00314	1.0
278.89236	0.2
293.03101	2.2
309.04401	0.5
311.04071	4.6
335.02505	0.4
341.03558	0.3
353.03412	1.3
379.01343	0.8
397.02304	1.2
473.07422	0.3
474.89230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
65.76200	0.7
71.45474	0.8
72.99314	2.6
78.95917	1.8
79.64059	1.0
79.95712	1.8
87.00874	11.2
96.96011	100.0
103.00360	1.4
109.02962	1.2
111.00918	1.5
112.98824	4.3
119.88454	0.9
125.83236	0.8
133.02933	1.2
134.03751	2.0
135.04530	35.5
137.02588	1.2
139.00348	1.7
142.97551	0.9
149.00919	56.3
161.02429	4.9
163.04010	1.8
179.03491	47.5
179.65112	0.9
191.03520	1.5
216.99153	1.3
219.02921	4.6
228.97560	4.5
293.02997	9.8
311.04102	34.9
312.04535	1.1
379.67017	0.9
456.96912	1.2
473.06940	1.4
586.31183	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29052	0.3
59.01380	7.0
60.01700	0.6
61.98827	2.4
63.18098	0.2
71.01384	2.5
73.02888	0.2
78.95976	0.3
82.25961	0.3
82.95435	1.0
84.93885	1.3
85.02927	0.3
89.02447	2.8
95.01457	0.4
96.02042	0.3
96.02686	0.3
96.96027	2.2
98.95597	2.0
98.96386	0.6
99.00903	0.9
99.92587	12.5
100.92705	0.5
100.93366	11.2
101.02438	2.2
102.02791	0.5
103.00406	0.3
111.00931	0.3
113.02457	1.0
114.94899	0.4
115.92083	14.0
116.92866	100.0
117.92888	2.2
119.03510	1.1
125.94427	0.3
128.92894	0.5
137.02487	0.3
140.92822	0.7
141.93625	0.4
142.94406	1.6
152.99602	0.4
154.00690	0.3
154.94537	0.3
156.92317	0.7
158.93874	1.2
160.05362	0.3
161.04553	0.7
167.95186	0.3
168.35014	0.3
169.93118	0.5
170.93837	0.4
171.94730	0.4
173.92657	0.4
174.93336	0.4
179.05621	1.7
180.05974	0.3
183.20691	0.3
183.94611	0.3
184.91818	2.8
184.95479	0.4
188.84187	0.3
189.05432	0.4
190.76112	0.3
195.94574	0.3
196.95471	0.6
217.17139	0.3
221.53947	0.3
242.96179	0.3
259.96320	0.6
449.08890	0.6
467.10184	2.9
485.11008	2.7
497.10941	0.5
509.11145	2.2
510.27902	0.7
511.28146	0.9
527.12329	5.8
528.12726	0.3
535.09052	1.3
535.18182	1.7
553.10376	0.4
571.11255	20.8
571.25092	0.6
572.11487	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	571.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92023	1.1
51.86349	1.0
56.31178	1.1
59.01381	36.5
61.98825	2.3
68.03429	1.1
70.87693	1.0
71.01372	13.4
71.42479	1.6
83.01394	1.4
85.02950	4.5
89.02437	14.2
91.84623	1.1
95.01427	1.3
96.96026	7.7
101.02459	11.1
104.05054	3.0
106.06625	2.8
108.04573	3.8
113.02457	6.7
116.92902	2.1
119.03509	4.3
132.04555	40.0
134.06114	28.2
134.07066	2.2
148.04094	3.1
152.07170	3.5
158.06075	3.7
160.04028	1.7
176.03511	8.5
188.03601	3.1
190.05121	5.5
210.46895	1.1
215.43977	1.2
251.11826	5.1
255.11388	3.8
279.11380	24.3
295.10870	5.5
314.12381	4.5
323.10403	14.6
337.12048	1.5
341.24960	1.3
349.20230	2.6
418.96167	1.3
435.17645	4.7
459.17661	16.8
475.17032	6.3
485.00116	1.3
503.16742	100.0
504.17004	3.5
517.18140	12.9
535.19324	80.8
536.19568	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	571.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83760	1.9
54.16372	1.8
59.01374	37.9
71.01384	25.3
73.02930	9.3
78.50412	1.9
85.02978	3.0
89.02444	63.6
96.96000	22.9
99.00881	14.9
101.02444	34.0
105.07191	1.8
113.02448	3.7
125.02435	2.7
125.87304	3.9
127.87083	2.7
131.03523	15.5
131.32964	1.9
135.04446	2.8
143.03502	3.7
148.90968	6.6
149.04558	100.0
150.90698	2.4
161.04514	4.8
165.09239	4.3
191.05583	19.0
203.85101	2.6
221.06654	18.5
234.99336	2.0
251.07698	18.8
266.77695	2.2
293.08771	8.6
311.09857	17.0
400.69431	2.3
492.93698	2.1
534.06097	5.3
535.06256	14.1
536.05371	4.8
571.21600	91.8
572.21936	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	571.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46962	1.0
58.79703	1.1
61.87806	1.1
62.63596	1.1
69.81987	2.7
69.82350	2.5
78.95904	58.3
96.96975	13.0
98.21825	1.1
107.75288	1.0
121.15267	1.0
152.99588	55.4
198.98239	1.1
223.00191	1.8
241.01173	25.7
241.03444	2.1
255.23285	70.3
256.23691	1.8
315.04785	7.8
391.22516	3.6
571.28888	100.0
572.29230	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	571.2888
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
69.54599	1.4
70.67690	2.0
78.95905	60.7
96.96957	10.6
115.87183	1.4
132.73955	1.3
152.99590	60.2
154.04698	1.3
176.73376	1.3
186.86635	2.3
223.00192	1.5
227.55696	1.4
232.08356	1.3
241.01173	28.6
241.03442	2.3
242.89183	1.4
255.23285	70.1
256.23703	1.8
315.04916	7.1
334.93890	1.3
391.22583	3.8
571.28876	100.0
572.29272	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	571.289
Annotation	Unknow
Peak:m/z	Relative Intensity
57.77180	0.4
59.70670	0.5
71.31416	0.8
78.95906	55.0
86.19407	0.5
90.59637	0.5
96.96006	0.6
96.96966	11.1
150.98016	0.9
152.99596	52.2
171.00555	0.8
223.00180	1.5
241.01193	29.0
255.23288	64.2
256.23682	1.5
259.02139	0.7
290.73441	0.5
314.00082	0.7
315.04907	7.2
391.22446	4.2
571.28876	100.0
572.29065	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	571.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11334	0.7
59.01381	100.0
60.01734	0.7
61.98837	3.7
69.19749	4.0
71.01381	12.0
73.02947	17.0
74.67380	0.6
82.95425	1.0
83.01394	3.2
85.02968	2.4
87.00874	0.6
89.02447	5.6
95.01395	1.4
96.57824	0.6
96.96043	0.9
101.02450	13.0
102.05634	1.5
113.02453	10.2
119.03489	3.1
128.03548	3.8
131.03516	1.7
143.03519	1.6
149.04591	2.0
161.04585	5.7
179.05652	2.3
184.39886	0.7
215.80951	0.7
221.06728	1.4
253.13983	0.7
342.39233	0.7
357.26474	3.2
442.32037	1.2
467.30096	6.8
485.31378	1.8
486.30692	7.2
487.30811	1.2
508.28769	1.1
527.32062	6.4
571.28571	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98827	33.6
69.13088	31.0
71.01388	14.5
85.02946	6.9
88.33781	4.8
89.87440	4.8
98.21828	6.6
100.06862	5.4
101.02441	10.1
113.02525	4.8
113.09702	9.1
114.13346	5.1
128.03439	5.6
140.02397	4.3
164.50862	5.1
165.34537	5.3
227.16472	9.9
238.92906	5.5
244.65211	4.7
329.27463	5.0
343.08090	8.1
485.31046	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	572.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.7
61.21103	0.2
61.98830	100.0
69.08716	1.5
71.01394	0.3
76.29804	0.3
89.02448	0.6
98.21944	0.5
113.02492	0.3
119.03521	0.3
193.18297	0.3
210.07542	0.2
229.15973	0.6
259.20718	0.3
285.18698	0.5
303.19775	0.9
329.17633	2.4
347.18604	7.5
348.19012	0.3
387.01025	0.3
389.19656	2.0
421.86786	0.3
453.02216	0.3
509.23904	9.1
509.31506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.8
61.98832	100.0
71.01387	1.7
71.56419	0.6
73.45599	0.7
82.95419	0.8
83.01409	0.7
89.02459	1.2
101.02458	1.9
116.92912	1.8
117.92896	0.8
119.03529	0.7
156.17145	0.7
166.43094	0.7
184.03795	0.6
191.58586	0.6
262.15192	0.7
350.20618	2.1
512.29773	2.5
536.19141	2.5
572.36182	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	572.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87508	2.6
59.01381	9.7
61.98819	5.9
69.16281	3.1
69.19633	17.1
71.01378	4.6
78.95911	5.0
89.02452	4.6
101.02447	5.1
113.02513	3.6
118.07854	3.1
189.47304	3.5
218.64560	3.7
235.08279	5.9
235.17029	43.7
253.09250	46.2
254.85516	4.6
275.20169	84.3
276.20627	4.1
293.21252	100.0
293.24634	4.7
294.21579	5.6
426.14777	3.3
450.87222	4.0
490.25818	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	572.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10764	4.8
54.12256	3.9
57.45501	4.8
59.01384	11.2
61.98841	11.3
69.24319	21.7
73.07059	4.4
89.02468	4.5
98.22646	6.7
101.02481	5.1
113.25108	4.2
128.87531	4.6
138.23683	5.2
212.55424	4.6
230.14983	4.7
235.17078	19.0
253.09227	30.7
275.20114	16.4
293.21237	100.0
296.45596	4.5
520.30328	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	573.1039
Annotation	Robinetinidol-(4beta->2')-7,3',4',5'-tetrahydroxyflavone
Peak:m/z	Relative Intensity
52.51939	2.3
57.03447	3.6
59.01372	9.1
61.98829	7.0
71.01385	4.4
83.01399	2.1
85.02915	2.8
101.02453	4.0
109.02943	8.3
113.02424	3.2
121.02909	2.9
123.04537	3.4
124.53383	2.2
125.02458	9.9
126.90447	2.9
133.02953	10.4
137.02472	3.4
155.90259	2.1
159.04489	2.4
160.43053	2.2
161.02458	15.3
163.00323	11.7
171.04533	3.5
175.03983	6.8
176.01157	18.3
177.01962	23.0
183.04465	3.4
189.01920	7.8
197.06111	3.5
199.03961	6.4
202.99994	2.7
203.03474	3.9
211.03967	6.3
213.01956	3.0
213.05573	5.7
215.03465	3.1
216.00667	5.4
217.05046	8.9
227.03407	7.9
229.04897	2.9
235.04044	3.5
237.05643	2.5
239.03441	7.6
241.05066	8.2
243.02921	4.1
245.04559	5.6
253.05208	2.5
253.72603	2.2
255.03011	18.9
256.03741	3.9
257.04599	4.0
267.03036	3.3
281.04544	5.1
283.02493	38.8
284.03281	14.7
285.04034	75.0
293.04340	2.4
296.03085	2.8
297.04156	12.1
309.04117	2.6
323.05463	3.9
325.03488	17.6
327.05023	6.8
327.29706	2.5
339.05145	5.5
351.21616	10.9
375.20139	6.2
421.05475	3.6
429.05963	6.1
447.07224	100.0
448.07538	11.5
487.10223	3.1
511.10184	3.0
513.26794	8.2
529.11371	15.4
545.10931	2.8
573.10223	44.4
574.10992	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	573.2324
Annotation	Kadsuphilol J
Peak:m/z	Relative Intensity
59.01377	13.1
61.98811	3.7
64.23269	2.0
70.51445	1.8
71.01376	9.4
73.02972	2.4
77.88135	1.9
82.14961	2.1
85.02937	3.0
89.02471	10.2
96.96017	6.6
99.00897	3.9
101.02431	4.9
119.03516	2.3
149.04530	7.5
192.16510	2.0
223.81779	2.1
245.99875	2.7
537.25500	47.0
538.25714	2.2
573.23090	100.0
574.23602	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.5
61.98830	1.2
63.19059	0.4
66.29929	0.5
69.03440	0.6
71.01386	0.7
71.05021	1.1
71.05413	0.5
72.01698	0.5
75.00879	0.6
81.03468	2.4
85.02948	0.7
85.06583	3.0
95.23215	0.6
96.96038	1.0
97.06586	1.0
99.04508	1.0
115.07664	0.8
138.56871	0.6
139.11281	1.9
151.11385	0.6
186.23869	0.5
191.14427	0.9
193.95393	0.5
205.15982	1.6
207.17546	2.1
235.17032	2.0
257.67004	0.5
259.20648	2.8
271.20651	1.9
277.21704	3.9
289.21719	3.4
307.22800	1.2
311.93042	0.6
333.20773	2.6
351.21762	100.0
352.22064	2.7
375.21381	0.5
393.22733	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98818	7.7
71.66786	1.7
78.95901	100.0
82.10773	1.8
83.84438	1.5
84.45853	1.5
93.30962	1.6
96.96003	15.7
96.96963	4.3
98.95589	17.1
98.96274	2.9
98.96375	2.5
99.92594	15.3
100.93357	3.5
114.94924	9.5
115.92072	9.7
116.92844	7.0
125.61761	1.6
140.01260	1.9
141.95992	14.6
148.90985	2.1
150.98024	4.6
152.98328	3.7
152.99585	64.4
155.92625	1.8
163.89754	2.9
164.90479	4.7
178.88420	7.4
179.87669	3.5
179.89188	21.0
180.89966	9.5
181.90744	6.9
184.34663	1.7
196.03787	2.4
196.89485	34.0
204.92314	3.1
205.90858	4.0
205.93164	6.1
219.92220	2.3
223.94298	1.7
235.91788	7.7
236.92542	3.1
238.66772	1.7
277.21738	25.6
277.95151	4.0
278.22067	2.9
279.22577	2.3
431.22226	2.1
497.14087	4.0
514.14014	8.0
531.14203	2.4
538.16632	11.5
556.17749	13.6
570.15552	3.0
574.18579	33.4
575.19012	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	574.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	3.3
62.10263	0.4
62.96385	0.7
63.21634	0.4
64.23504	0.4
78.95905	14.2
79.95738	2.6
96.96014	100.0
122.00096	0.5
140.01176	1.5
152.99574	1.6
154.78026	0.4
156.98648	0.5
176.45096	0.5
178.94316	1.9
196.03790	5.4
214.04918	0.7
234.80009	0.4
279.23285	27.0
294.00601	0.5
312.01724	1.3
341.60709	0.5
399.16193	0.6
408.85947	0.4
432.23834	0.4
476.27798	8.0
574.25085	6.1
596.27948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.3151
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36141	1.1
53.87948	1.0
59.01379	35.7
61.98833	1.7
62.26858	1.1
70.86389	1.2
71.15070	2.0
76.61373	1.3
76.83559	1.1
78.95894	12.1
79.97714	1.3
89.57985	1.2
118.06879	1.2
151.22311	1.1
152.99617	2.1
168.04309	3.7
215.52844	1.4
231.21178	4.5
242.08049	7.5
275.20151	100.0
276.20618	2.8
329.93317	1.2
500.27832	63.4
501.28030	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	574.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35138	15.6
54.18143	14.3
59.01382	26.8
70.51122	21.3
70.51455	20.4
91.04005	93.4
96.38742	13.3
139.58012	14.2
177.09123	12.5
321.31494	70.3
335.78433	14.4
365.30634	37.1
383.31747	47.7
399.64087	12.7
439.34409	84.1
439.98499	14.6
457.35248	100.0
530.22711	41.2
563.09094	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	575.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82909	0.2
59.01373	0.6
61.98824	0.2
65.00351	0.2
69.27758	0.2
71.01382	0.3
71.44723	0.2
72.99589	0.2
75.39098	0.2
75.79195	0.2
79.95731	3.1
81.03470	0.2
96.96008	100.0
98.10070	0.2
101.02453	0.3
121.02923	0.2
123.04573	0.3
123.23923	0.2
125.02435	1.5
135.31113	0.2
137.02425	0.3
137.64299	0.2
151.00385	0.4
151.04021	0.2
151.24345	0.2
161.02441	0.4
162.14758	0.2
163.00363	0.3
164.45692	0.2
165.01947	0.2
180.45291	0.2
199.04066	0.2
227.03534	0.3
242.02194	0.2
243.03017	1.6
255.03023	0.4
255.06844	0.2
257.04520	0.6
270.01718	0.3
271.02518	1.4
285.04034	2.3
287.05521	0.4
289.07166	0.8
299.01974	0.9
300.02832	0.6
314.04401	2.3
315.05042	1.6
368.99472	0.3
371.00873	0.5
397.99637	1.1
407.07907	0.4
413.01852	4.2
423.07385	0.3
431.03009	0.6
449.08853	1.1
477.10382	4.5
515.28625	0.3
519.37238	0.2
575.00653	0.4
575.11743	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1191
Annotation	Proanthocyanidin A1
Peak:m/z	Relative Intensity
54.23100	3.2
56.82598	3.6
57.03433	9.6
59.01366	5.6
69.45199	16.5
81.03465	12.6
83.01405	9.6
87.00873	5.6
96.96004	4.2
98.95592	13.6
99.04555	3.6
109.02966	11.6
112.98822	6.9
123.04503	20.4
125.02453	78.9
130.36676	3.6
135.04524	15.0
135.09702	3.8
137.02443	15.4
145.02916	4.4
146.63264	4.1
147.04485	5.7
149.00923	15.4
149.02396	8.6
151.04021	9.9
161.02425	24.6
162.03134	4.8
163.00456	4.8
163.04022	3.0
164.01122	5.2
165.01970	8.6
166.30428	3.6
167.03477	74.5
171.04472	4.4
172.16249	3.6
173.06065	5.9
175.04050	20.2
177.01973	4.3
179.03500	14.1
187.03961	7.2
196.05138	4.1
197.06097	4.4
198.03238	4.4
199.03992	21.0
201.02005	5.3
205.05069	6.5
211.04076	8.6
212.04776	5.1
213.05544	16.8
215.03476	10.4
215.06941	3.7
217.05075	16.8
224.04739	6.9
225.05573	8.0
226.02660	5.8
226.06345	4.2
227.03523	12.0
229.05042	6.2
231.02789	4.5
232.52441	4.3
237.05542	9.5
238.06239	6.5
239.03453	11.8
239.07188	8.1
240.04254	6.2
241.05046	19.1
243.02911	24.9
243.06676	4.7
245.04482	8.1
247.05940	5.4
249.05540	5.4
250.06340	3.6
251.03459	4.5
253.05081	10.9
254.05768	4.8
255.03041	10.2
255.06407	5.1
256.03751	4.6
257.04541	11.6
263.07138	6.4
265.05075	15.5
267.03000	9.5
269.04562	9.8
273.04117	3.9
277.05005	4.2
279.06509	6.1
281.04507	15.1
283.02798	3.9
283.06174	15.4
285.04016	9.3
287.05597	18.9
289.53461	4.2
293.04486	13.4
297.04037	30.4
307.06046	32.7
309.04007	36.1
317.04590	6.8
319.06165	6.9
319.09644	4.5
325.07254	20.9
327.04999	4.9
351.05023	8.4
361.07126	18.9
379.08286	17.4
407.07712	32.9
423.07224	100.0
431.07770	5.4
445.12592	4.6
449.08643	39.5
469.13000	5.5
487.14011	7.6
495.11005	8.3
513.11877	35.8
531.12860	13.8
557.10889	12.3
575.11884	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2711
Annotation	Atractyloside I
Peak:m/z	Relative Intensity
55.01845	1.7
57.03436	1.6
58.30714	1.3
59.01382	35.3
61.98821	10.8
71.01379	23.6
71.43159	1.3
72.99302	1.5
73.02957	6.0
83.01371	2.9
85.02938	9.0
88.98794	3.8
89.02441	17.2
89.76794	1.3
95.01370	1.6
97.02948	1.3
99.00854	1.6
101.02442	20.0
113.02450	10.2
117.11898	1.3
119.03492	4.6
120.15995	1.2
305.83957	1.2
353.23102	5.5
375.27112	2.0
395.20691	5.2
413.21774	100.0
414.22089	4.2
455.22791	2.4
458.88162	1.4
515.28162	2.3
575.29974	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23352	1.4
52.48574	1.4
55.01865	1.6
55.16284	1.4
55.32845	1.3
55.65542	1.5
57.03443	1.3
58.40491	1.2
59.01379	60.2
59.86810	1.3
59.89136	1.2
61.98834	2.4
68.29398	1.4
71.01382	23.9
73.02960	6.6
83.01385	2.3
85.02943	11.5
85.65104	1.3
87.00871	2.0
89.02445	12.4
99.00883	2.0
101.02442	18.9
113.02464	10.3
119.03508	5.1
122.97623	2.0
143.03482	1.3
161.04572	9.0
179.05676	2.2
224.74608	1.4
252.51932	1.5
261.18585	2.9
273.18469	2.1
293.21213	5.4
351.01270	1.4
353.23126	9.5
515.28601	100.0
516.29089	4.1
559.27435	5.8
575.30963	1.9
595.26294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	26.3
61.98826	9.2
66.38793	0.9
71.01379	4.9
71.43403	1.2
72.99314	1.4
73.02948	18.0
85.02934	2.2
87.04498	0.9
89.02435	3.4
96.96046	1.1
101.02429	2.0
103.04016	1.9
109.09902	1.0
113.02455	1.6
119.15061	0.9
158.84720	1.2
178.62305	0.9
179.05688	1.1
200.93007	0.9
203.28401	0.9
211.64983	0.9
233.19052	2.4
247.20682	2.3
251.16476	1.4
261.18665	1.3
261.22253	2.2
263.20157	21.0
271.53647	1.1
273.22235	2.7
275.20206	2.8
277.18539	1.6
277.21707	10.6
309.24399	9.6
353.23331	100.0
354.23624	3.1
355.73096	1.0
515.28497	2.0
531.28253	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	3.6
60.74164	2.3
78.95918	12.1
152.99586	6.5
165.10538	2.3
176.84517	2.8
181.31548	2.1
221.44852	2.4
224.07021	3.9
231.21350	2.5
235.17017	34.1
242.08023	3.7
275.20126	34.3
293.18173	3.8
293.21243	41.7
311.22507	3.7
332.43112	2.7
394.93311	2.1
447.21783	4.6
518.28918	100.0
519.29047	4.9
575.32214	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	575.3101
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	2.4
60.26041	2.4
61.98819	8.0
69.11276	14.3
71.05024	2.2
78.95892	15.3
81.41595	2.2
94.68282	2.4
98.21790	3.9
152.99602	5.0
155.38138	2.1
221.15570	3.0
235.16980	21.9
242.07875	5.2
260.61203	2.5
275.20148	24.2
293.21237	86.5
294.21475	3.2
296.23050	2.8
300.31143	2.2
306.88718	2.4
431.56537	2.3
436.96384	2.3
518.21100	5.1
518.28839	100.0
519.29187	3.7
575.32001	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	575.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.4
61.98824	7.2
69.57217	3.4
69.57610	4.2
78.95898	13.2
96.96971	1.8
113.09710	13.3
152.99583	9.6
153.60796	1.8
167.10803	3.5
168.04315	5.2
171.10278	3.3
177.12849	4.5
179.10660	1.8
195.13841	3.3
224.07057	3.3
229.42363	2.0
242.07954	5.5
249.22359	2.6
275.20032	5.0
293.21228	100.0
294.21512	3.2
296.23111	4.9
307.22723	31.4
447.21616	2.5
473.22665	2.2
493.27643	4.8
518.28876	78.4
519.29065	3.4
532.30402	26.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3106
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98810	3.3
63.97063	2.4
64.37936	2.4
71.42630	2.6
78.95911	12.1
80.03887	2.4
90.44221	2.8
93.91387	2.1
95.52592	2.4
98.97494	2.3
103.01612	2.4
109.74601	2.4
125.09673	2.5
152.99623	7.1
185.11848	7.7
293.21231	100.0
294.21469	2.9
307.22772	19.0
518.28925	61.8
532.30377	15.9
574.73663	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	575.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80510	1.0
52.64550	0.8
59.01379	13.5
66.10320	0.8
68.88677	0.8
70.35938	1.8
71.01391	2.3
73.02966	0.7
77.29501	0.8
78.95890	0.9
82.93441	0.8
89.02434	2.4
101.02443	3.3
111.24126	0.9
113.02434	1.1
146.19397	0.9
157.28859	0.8
161.04575	0.9
167.74352	0.8
235.08141	1.9
253.09279	11.9
279.23297	100.0
280.23685	1.7
325.23611	0.9
339.17807	0.9
519.95923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	11.3
61.98803	0.5
63.35055	0.4
71.01383	2.3
71.43994	0.4
73.02948	0.8
85.02938	0.8
87.00837	0.6
89.02436	1.9
101.02473	2.3
113.02448	1.4
117.23741	0.4
119.03485	0.8
161.04530	1.1
235.08221	1.3
253.09274	13.6
254.09375	0.5
279.23291	100.0
280.23660	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	576.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55576	1.1
61.98831	6.1
62.96401	2.0
63.78641	1.0
66.83611	1.0
69.46089	4.7
71.01371	2.4
72.02471	1.0
78.07020	1.1
78.95902	100.0
78.98556	1.2
79.95728	1.8
80.96517	8.5
94.98074	2.0
96.96001	5.7
96.96959	4.2
98.21855	2.5
98.95586	4.1
99.92579	16.7
100.93345	6.6
114.94958	8.1
115.92091	9.1
116.92879	7.6
122.97590	1.2
140.01201	2.0
141.96025	15.9
148.91069	1.3
150.97975	2.7
152.99596	64.6
163.89694	3.6
164.90527	4.6
164.98668	1.4
171.00697	2.0
178.88417	10.4
179.89209	22.0
180.90015	9.0
181.90761	5.4
196.03778	2.0
196.89482	30.1
204.92325	2.5
205.90782	3.2
205.93132	5.3
223.94269	3.5
225.00735	1.9
235.91820	8.9
236.92598	4.0
252.92104	1.3
277.21762	1.2
277.95300	5.4
279.23288	25.5
279.96826	1.3
286.13409	1.2
294.87872	1.1
399.04910	1.2
433.23486	5.9
459.12585	1.8
474.26151	2.9
499.15668	6.6
516.15704	9.1
533.15918	1.7
540.18268	17.4
547.11945	1.1
558.19202	12.4
572.17328	2.4
576.20300	54.6
577.27112	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	576.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48236	0.7
53.64328	0.7
60.91418	0.6
61.98829	100.0
70.99872	1.1
133.03069	0.9
152.56004	0.7
259.93561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20322	0.3
61.54452	0.4
61.98830	100.0
80.96526	0.8
89.26879	0.3
90.73766	0.3
91.61553	0.3
96.68523	0.3
171.37445	0.4
187.05919	0.4
225.00847	0.5
243.90999	0.3
259.76480	0.3
300.01932	0.4
577.27362	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72312	0.2
61.98829	100.0
68.69348	0.2
69.07649	1.0
78.95948	0.2
130.85445	0.2
249.27893	0.2
335.58899	0.2
382.29385	0.2
390.45193	0.2
522.00720	0.2
554.22626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91591	27.0
59.01391	24.8
61.37904	23.3
61.98838	82.1
68.67559	22.5
69.71933	100.0
77.11099	22.1
85.98634	22.4
98.22641	56.7
144.41707	28.1
146.64804	22.5
171.73798	23.5
177.66237	23.9
463.77625	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56310	0.3
52.61368	0.3
57.97498	0.4
59.01376	17.7
61.98827	0.7
69.96313	1.0
78.95906	7.6
149.11206	0.4
152.99593	1.8
168.04332	1.6
168.66808	0.3
201.19638	0.4
202.69455	0.4
224.06943	1.4
242.07938	3.6
248.56364	0.4
275.20166	0.4
277.21713	100.0
278.22018	2.3
286.67828	0.4
502.29376	36.1
503.29715	1.3
505.81671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05907	0.6
57.95964	0.6
58.74461	0.6
59.01381	27.7
59.25255	0.6
69.15647	1.8
69.16052	2.7
71.01381	1.9
78.95905	24.3
78.98599	0.9
79.95753	1.8
80.96517	15.3
94.98083	3.3
114.80603	0.6
122.97574	1.4
123.99236	0.6
125.02477	1.1
127.70567	0.6
134.97585	1.2
141.42798	0.6
146.85248	0.6
148.99110	1.4
152.98553	1.4
152.99677	3.9
164.98625	2.3
168.04343	3.8
222.49622	0.6
224.06912	9.6
225.00745	5.9
242.08003	2.9
277.21725	100.0
278.22092	2.4
299.04340	1.2
426.54181	0.7
502.29416	76.8
503.29828	3.0
547.50616	0.7
577.26904	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47414	0.8
57.03448	14.9
69.87568	2.8
77.35687	0.8
77.95187	0.8
81.03452	3.1
83.01389	3.3
89.03951	1.0
93.03440	1.7
95.05027	3.0
97.02966	4.0
98.22489	1.5
105.03425	1.8
108.02188	1.5
109.02946	19.1
120.02196	1.0
121.02949	2.7
122.03788	1.6
123.04540	15.1
125.02444	100.0
131.05051	1.0
133.02945	3.9
135.04456	2.3
137.02441	17.9
139.04001	4.2
147.04501	1.3
149.02420	4.7
150.03174	2.0
151.04002	14.1
155.78236	0.9
159.04503	2.9
161.02446	31.3
161.06082	4.6
162.03116	3.0
163.00417	1.9
163.03981	3.6
164.01114	4.9
165.01897	5.3
167.03484	1.2
175.04007	10.2
175.07587	1.6
177.01912	5.5
177.05505	1.1
179.03491	5.7
187.04019	8.2
188.04803	3.6
199.03925	1.4
199.07568	1.0
201.05528	2.1
202.06343	1.3
203.03384	0.9
203.07155	10.4
205.01476	2.8
205.05042	7.5
207.24092	1.0
211.04097	0.9
213.05666	1.6
214.02594	1.4
215.03493	1.5
217.04965	1.8
219.06604	0.9
221.08183	2.1
225.05579	0.9
227.03461	1.9
227.07036	2.0
229.05064	2.5
243.02977	3.0
243.06633	1.4
245.04474	5.1
245.08145	13.2
255.02937	9.9
256.03708	5.1
259.06207	1.0
269.04453	2.4
271.06119	1.2
273.03967	5.0
281.04565	4.8
282.01685	1.1
283.02460	2.5
284.03238	1.0
285.03995	2.0
287.05624	11.5
288.05899	1.0
289.07178	71.9
290.07571	3.0
297.07608	0.9
299.05646	6.3
329.06699	1.0
339.08701	4.0
381.09769	2.8
389.06311	1.4
407.07660	64.9
408.08057	1.9
425.08817	24.9
451.10303	13.1
559.12189	1.6
577.13495	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	577.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	15.3
69.40806	3.6
69.41230	1.7
78.20176	1.0
81.03479	1.2
83.01385	4.1
89.77080	0.9
93.03439	2.6
95.05045	1.9
97.02948	4.5
107.05023	1.1
108.02190	1.2
109.02946	19.4
121.02944	3.8
122.03720	1.7
123.04517	15.3
125.02444	100.0
126.02817	1.6
131.04965	1.7
133.02940	3.6
135.04482	2.5
137.02434	18.9
139.04007	3.0
149.02435	5.9
150.03052	1.2
150.49097	1.0
151.04012	12.8
159.04485	3.0
160.05348	1.4
161.02451	27.8
161.06085	4.6
162.03204	2.7
163.00328	1.2
163.04022	3.5
164.01125	5.3
165.01855	5.3
167.03560	1.4
171.80891	1.0
175.03990	9.6
177.01967	6.4
178.02739	1.3
179.03447	5.3
185.05995	1.3
187.04066	7.3
188.04736	2.8
189.05518	1.3
191.32603	1.2
201.05516	2.6
203.03494	1.9
203.07118	9.6
205.01433	2.2
205.05031	6.8
214.02818	1.2
215.03482	2.1
219.02977	1.1
221.08192	2.1
227.07088	2.1
229.05019	4.1
231.02907	1.9
243.02972	3.5
245.04594	5.4
245.08180	14.2
246.00815	1.1
255.02939	9.9
256.03757	5.9
257.04541	1.3
269.04456	2.5
273.04050	5.6
281.04538	4.5
283.02402	1.9
284.03281	1.2
285.03873	2.7
287.05612	9.0
289.07178	68.8
290.07370	3.2
299.05737	5.6
329.06635	1.4
339.08704	4.1
381.09732	2.8
407.07700	67.9
408.08069	3.8
425.08765	29.4
426.09128	1.7
451.10257	17.8
452.11060	1.4
577.13257	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1352
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.60533	1.7
57.03450	19.0
59.01380	29.7
69.32642	6.8
71.01385	6.3
73.02956	1.6
79.93358	1.5
81.03453	2.3
83.01411	5.1
85.02949	3.2
89.02445	5.8
93.03426	1.5
95.05042	2.3
97.02982	3.6
101.02434	3.4
107.05019	1.8
109.02961	16.0
113.02496	2.1
121.02977	1.9
123.04536	9.3
125.02451	100.0
126.02808	2.0
131.07114	1.8
133.02937	3.4
137.02438	17.7
138.94238	1.9
139.04019	2.2
147.03462	1.5
149.02473	4.3
151.03999	9.3
159.04552	3.9
161.02431	23.4
161.04596	1.7
161.06085	3.3
163.00461	1.9
163.04065	3.3
164.01137	3.8
165.01924	4.5
167.03476	1.8
173.02350	1.9
175.00333	3.4
175.04022	7.3
175.07608	2.4
179.03525	3.5
187.04031	5.4
199.04045	1.6
201.05652	2.3
203.07166	6.1
205.01480	2.4
205.05086	6.9
210.49387	1.7
217.05179	1.9
227.07071	2.3
229.05080	3.7
243.03027	2.0
245.04541	4.5
245.08296	8.1
255.02957	8.0
256.03665	3.6
269.04492	4.4
271.06110	2.3
273.04059	2.9
281.04559	5.5
282.05338	4.4
283.02692	2.7
283.06165	5.4
285.04108	2.9
287.05634	6.9
289.07184	54.2
290.07455	1.7
293.04547	34.9
295.06097	2.7
299.05557	6.5
311.05551	6.2
323.05637	2.9
339.09015	2.3
339.98578	1.6
341.06772	5.8
407.07697	37.6
413.08862	13.0
425.08759	18.2
451.10284	8.8
457.11273	1.8
463.08658	1.7
577.15576	41.3
577.28094	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	577.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.5
58.00599	0.9
58.39014	0.5
59.01381	41.4
60.19532	0.5
64.60832	0.6
70.75826	0.9
71.01385	7.3
72.99314	1.4
73.02946	4.7
83.01393	0.6
85.02956	5.3
89.02450	3.5
93.03522	0.5
98.21941	0.7
101.02429	3.5
103.04013	2.9
107.70412	0.5
116.80110	0.6
117.03464	6.7
119.03478	0.7
131.01384	2.0
163.00163	0.6
163.83539	0.7
173.02411	2.3
175.00377	9.5
175.07135	0.6
225.05598	0.7
237.05611	0.7
249.05417	0.6
253.05357	1.0
268.03906	0.8
269.04523	7.6
271.01694	0.6
279.06476	1.0
281.04568	6.9
282.05377	6.9
283.06128	8.8
291.06616	0.7
293.04559	96.6
294.04874	3.5
295.06186	4.1
307.06235	0.9
309.04053	1.5
311.05603	13.0
314.04361	2.6
316.03992	0.5
323.05600	10.0
335.05530	2.9
336.26996	0.6
341.06662	9.6
353.06714	2.5
355.08142	1.0
395.07559	0.6
413.08777	41.9
414.09180	1.2
457.11108	4.5
458.11508	0.7
498.77008	0.7
509.87250	0.7
577.15613	100.0
578.15747	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	577.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.8
60.56045	2.1
71.01376	6.8
77.79523	2.6
87.00908	2.4
89.02428	5.3
92.97843	2.6
101.02454	3.0
163.79997	2.4
169.06537	2.2
173.02434	2.3
175.00444	2.9
185.06131	4.2
203.98068	2.4
213.05510	3.5
224.81812	2.3
227.03438	4.2
229.09576	2.7
255.02930	31.7
283.02466	71.7
284.03052	5.3
285.04050	100.0
293.04562	24.5
311.05750	4.1
323.05771	3.2
413.08640	6.8
430.03784	2.9
430.08716	12.8
431.09790	63.2
517.29608	4.6
549.17444	4.5
558.96796	3.4
577.15588	73.8
578.15869	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2323
Annotation	Cocsulinine
Peak:m/z	Relative Intensity
59.01401	4.7
61.98830	14.8
71.01374	2.5
79.95737	53.0
80.96526	16.2
91.75269	0.8
95.95226	3.3
96.96013	25.3
101.02430	1.1
111.61687	0.9
113.02411	1.6
115.02077	1.0
117.83970	1.1
120.26183	1.0
124.42580	1.0
163.00737	1.7
171.10251	3.9
286.64584	1.0
329.23346	1.3
333.05841	1.1
341.17783	1.1
355.24707	2.0
385.11847	1.6
385.16879	32.4
415.17947	82.5
416.18222	3.6
437.22156	1.6
541.23425	3.7
577.23096	100.0
578.23413	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	577.25
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21769	3.3
53.28944	3.3
53.71072	3.1
59.01379	72.5
59.41828	3.4
64.53493	3.0
69.28412	16.7
71.01385	39.0
73.02957	18.1
82.95411	7.7
83.01364	3.0
85.02940	5.5
89.02447	100.0
96.00976	3.6
98.21866	5.9
99.00874	30.6
101.02429	40.3
125.02456	5.1
125.77898	3.1
125.87361	6.3
131.03488	13.8
143.03468	4.2
148.90932	4.1
149.04558	78.0
161.04607	5.4
161.92648	3.2
191.05618	20.0
221.06648	11.1
251.07703	7.6
269.04395	7.2
293.08725	11.3
311.09845	30.2
390.54730	3.8
542.02014	6.3
577.12384	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	577.25
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.4
59.01379	85.2
59.34829	3.0
59.37678	2.5
60.49520	2.9
71.01380	58.3
71.15379	3.5
73.02945	22.8
85.02935	10.3
89.02444	100.0
97.02935	3.1
99.00888	38.2
101.02436	35.4
110.67613	3.0
113.02490	6.5
115.04018	3.6
119.03484	3.8
123.04514	4.9
125.02451	31.5
131.03520	16.2
131.04422	2.8
149.04552	71.1
151.03989	5.0
161.02351	7.4
161.04538	3.1
163.11290	6.5
191.05627	13.3
205.12341	19.5
221.06775	5.3
233.06639	5.1
251.07677	6.1
266.23126	3.0
280.07941	2.8
289.07138	8.7
293.08752	8.3
308.78107	3.0
359.08084	2.7
407.07599	7.9
517.22882	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.98831	27.8
66.82027	1.1
69.60021	2.1
71.01380	5.9
73.02931	1.4
78.95896	1.6
78.98581	6.4
79.95739	8.1
80.96514	63.3
81.43398	1.1
85.02938	3.3
87.00876	2.6
87.31425	0.9
88.51188	0.9
94.98082	13.8
96.96044	1.3
97.02931	2.0
98.21929	2.0
98.25211	1.1
101.02448	2.3
106.98084	1.9
122.97585	2.7
125.02448	2.7
134.97571	3.7
136.99156	1.5
148.99141	6.6
152.98645	5.5
164.98589	9.7
204.56548	1.0
206.99612	2.1
225.00697	13.9
279.23285	3.4
299.04379	3.3
379.28427	2.9
380.28928	11.5
476.27866	2.3
577.26849	100.0
578.26965	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25528	0.7
57.09545	0.6
59.01368	0.8
63.96223	0.8
69.03436	0.6
71.01380	6.0
73.02933	2.3
78.98584	4.9
79.95727	8.9
80.96516	60.4
85.02941	1.8
87.00864	2.4
94.98080	15.1
96.39748	0.5
96.95963	0.6
97.02939	1.9
98.21864	1.4
101.02447	2.3
106.98064	2.6
122.97581	3.9
125.02443	2.5
127.04031	0.5
134.97591	3.4
136.99158	1.1
148.99147	4.3
152.98657	6.0
164.98642	10.2
167.00272	0.6
182.99779	1.3
206.99709	2.5
225.00735	15.9
243.01825	2.0
277.21765	2.9
299.04428	2.5
452.36380	0.7
577.26868	100.0
578.27045	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	577.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57320	0.4
59.01377	4.7
59.06073	0.5
61.98820	1.7
63.96229	0.9
69.72438	1.4
71.01382	6.4
73.02952	2.0
78.26787	0.5
78.95906	19.2
78.98595	6.3
79.95734	10.1
80.96519	64.0
81.03477	0.8
83.01403	0.4
85.02949	2.5
87.00873	2.8
94.98090	14.6
96.96008	1.5
96.96989	0.8
97.02960	1.9
98.95634	0.6
99.00885	0.6
99.92581	2.2
100.92648	0.7
100.93353	0.6
101.02454	3.2
106.98075	3.2
111.39829	0.4
114.94953	1.0
115.92094	0.7
115.95010	0.7
116.92076	0.8
116.92851	1.2
122.97572	5.2
125.02457	2.9
127.04002	0.9
134.97617	4.3
136.99158	1.5
140.01247	0.6
141.95958	2.2
142.96069	0.8
148.99170	4.9
150.98061	0.4
152.98604	5.4
152.99615	9.0
153.99947	1.1
164.81795	0.5
164.90552	0.5
164.98624	10.2
178.88461	1.0
179.89334	2.2
180.90004	0.6
182.90842	0.7
182.99721	2.2
192.00668	0.5
196.89484	4.4
197.89510	1.7
205.93187	0.5
206.93198	0.5
206.99666	2.4
209.05679	0.4
225.00749	17.9
235.91881	0.7
236.92201	0.6
242.07945	0.7
243.01820	1.7
253.92218	0.4
277.21783	2.7
278.95862	0.5
279.23291	23.3
280.23599	2.3
299.04398	3.1
317.05362	0.4
376.81104	0.5
434.24112	0.6
500.15433	0.6
504.30801	6.0
517.16150	1.7
534.15857	0.5
541.18689	2.5
559.19684	1.6
577.27075	100.0
578.27460	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	577.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.0
61.98831	27.8
66.82027	1.1
69.60021	2.1
71.01380	5.9
73.02931	1.4
78.95896	1.6
78.98581	6.4
79.95739	8.1
80.96514	63.3
81.43398	1.1
85.02938	3.3
87.00876	2.6
87.31425	0.9
88.51188	0.9
94.98082	13.8
96.96044	1.3
97.02931	2.0
98.21929	2.0
98.25211	1.1
101.02448	2.3
106.98084	1.9
122.97585	2.7
125.02448	2.7
134.97571	3.7
136.99156	1.5
148.99141	6.6
152.98645	5.5
164.98589	9.7
204.56548	1.0
206.99612	2.1
225.00697	13.9
279.23285	3.4
299.04379	3.3
379.28427	2.9
380.28928	11.5
476.27866	2.3
577.26849	100.0
578.26965	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	577.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85429	5.6
59.01382	74.8
60.55735	6.0
61.98829	42.9
65.77250	6.6
71.01376	12.8
71.42484	7.1
73.02934	12.3
85.02959	7.0
89.02457	14.5
90.08848	6.7
96.95999	6.9
101.02421	12.1
105.56893	6.1
125.22585	6.9
193.84937	6.6
253.09210	10.6
316.00125	7.0
388.24182	8.1
419.00403	8.4
533.29694	100.0
545.16138	7.9
577.28754	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	577.326
Annotation	Unknow
Peak:m/z	Relative Intensity
60.54808	1.3
61.98820	5.0
64.15037	1.3
69.34273	2.5
69.34660	3.4
78.95900	9.7
98.22652	2.4
110.40722	1.2
110.65074	1.2
113.09731	1.5
138.96109	1.3
152.99576	8.8
157.08707	1.5
168.04341	2.4
176.37140	1.3
191.90459	1.4
195.13898	19.2
224.06944	1.7
242.07921	3.3
242.37117	1.2
277.18506	2.8
277.21704	15.5
295.22769	99.2
296.23090	1.5
330.15604	1.3
366.52499	1.2
449.22867	5.0
492.27499	3.0
520.30444	100.0
521.30615	2.5
557.23639	1.5
577.32507	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01348	1.4
61.98815	2.6
70.78861	1.5
71.97289	1.3
74.09273	1.1
78.95897	12.5
86.83341	1.3
103.85300	1.4
128.01836	1.2
152.99551	4.5
163.71794	1.2
168.04333	2.4
171.10274	17.9
177.14032	1.2
180.79568	1.3
224.06885	1.9
242.08034	3.2
249.46857	1.2
277.21704	30.6
293.21210	1.5
295.22781	59.8
296.22974	1.7
378.81836	1.4
404.85144	1.2
449.22879	3.2
520.30420	100.0
521.30933	3.2
577.32697	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3595
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	10.9
59.80167	0.8
64.98428	0.8
68.96723	0.9
71.01380	1.6
71.13635	1.0
89.02430	2.2
89.57169	1.1
95.12672	0.9
101.02434	2.6
112.89355	1.0
235.08105	1.3
253.09290	11.3
258.39282	0.9
281.24854	100.0
282.25089	3.0
286.14572	0.9
330.02139	1.0
379.00156	1.0
402.52139	1.0
517.33899	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	16.2
69.47762	2.4
69.48146	3.1
71.01371	1.7
73.69476	1.2
78.95898	2.5
89.02450	1.6
98.22657	1.7
101.02418	2.4
161.04506	1.3
180.90196	1.1
212.34857	1.1
235.08231	1.4
253.09227	11.3
281.24847	100.0
282.25131	4.0
298.87015	1.1
532.92090	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19274	1.7
56.06941	1.6
59.01380	100.0
61.98829	3.2
65.97453	1.6
67.58904	1.6
70.24664	1.7
70.87832	2.4
71.01391	3.3
78.95898	3.1
89.02434	8.4
91.04004	43.5
98.91813	1.7
110.56029	1.5
134.26791	1.7
147.92902	2.1
150.02386	1.9
212.01469	1.7
221.95952	1.7
285.11899	1.7
307.30075	45.6
324.33472	1.8
351.29004	23.1
369.30057	34.8
425.32703	38.0
443.33817	48.4
444.34174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	33.1
61.98828	100.0
69.35149	9.8
71.01376	13.1
78.91895	12.8
80.91669	11.5
89.11007	9.7
97.80032	10.2
98.22583	12.5
107.89092	9.6
124.34148	9.4
125.25606	9.8
156.00697	10.3
156.25925	9.4
159.98854	10.3
186.96635	9.5
509.78607	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	578.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98798	0.3
66.73770	0.3
76.19559	0.3
78.95906	13.6
88.34841	0.4
109.06581	0.9
111.65820	0.4
122.00179	0.5
137.06082	0.7
138.06874	2.1
140.01190	4.8
141.08057	0.3
143.03497	0.3
149.06091	1.0
151.07687	1.0
152.99629	1.6
164.08354	0.7
170.05878	2.6
192.11555	1.7
196.03815	2.5
214.04852	6.3
221.15329	0.4
233.19016	2.1
235.20676	2.0
239.16451	2.7
249.18446	0.6
251.20161	10.2
252.20270	0.4
255.16064	0.9
259.17111	0.6
261.18723	0.7
267.19879	0.4
267.56393	0.4
277.18076	85.4
278.18448	2.2
279.19638	36.4
280.19992	1.2
295.19141	100.0
296.19504	2.6
296.22681	0.5
306.18356	0.8
345.24252	1.2
363.25424	17.8
364.25763	0.6
381.26456	8.8
492.23672	21.2
493.23734	0.7
521.30676	0.8
578.30981	63.2
579.31219	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	578.31
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05465	0.5
71.06200	0.8
78.95901	10.1
97.85976	0.5
98.03725	0.7
103.99551	0.5
125.38120	0.5
140.01195	4.0
141.09222	2.7
149.55519	0.5
152.99606	0.9
153.12871	6.1
155.14412	0.6
163.11378	0.8
165.12854	6.3
170.05896	0.9
179.10788	3.6
181.12354	21.9
182.12665	0.7
184.63438	0.6
192.11575	0.8
195.13913	0.7
196.03790	1.7
197.11792	4.6
199.13397	100.0
200.13797	2.1
211.15974	0.5
213.14995	0.9
214.04884	4.0
215.12901	2.3
237.14984	1.3
239.16544	0.8
255.16093	3.0
257.17572	0.9
345.24283	1.4
363.25488	5.2
381.26453	14.2
396.17926	26.3
406.86469	0.7
540.50391	0.6
578.31000	57.6
579.31323	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	578.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26522	0.3
53.59023	0.3
59.01364	0.4
60.52469	0.3
60.83904	0.2
61.98830	100.0
63.38250	0.3
65.44830	0.3
70.46061	0.7
78.95911	0.5
80.90565	0.3
80.96514	0.6
82.95432	1.1
94.98132	0.3
96.96024	0.5
99.75102	0.3
103.01508	0.4
182.23056	0.3
255.23338	0.6
277.16653	0.3
279.23431	0.4
383.59570	0.3
399.42459	0.3
452.28000	0.7
579.28857	0.6
594.49280	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37869	0.2
60.28265	0.2
61.98828	100.0
70.68805	0.4
72.97757	0.2
77.01061	0.2
78.95891	1.4
79.95718	0.3
80.96510	1.6
94.98098	0.4
96.96002	2.5
103.83857	0.2
152.99631	0.4
177.84602	0.3
177.89859	0.3
179.89120	0.3
196.89409	0.3
207.92317	0.3
225.00870	0.3
279.23428	0.5
542.17603	0.4
578.21808	0.4
579.28357	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	578.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03434	0.6
59.01377	8.7
59.73378	0.3
61.98824	2.8
66.56788	0.3
70.13169	0.8
71.01386	6.0
72.99301	0.6
73.02950	1.8
74.02483	0.8
82.98880	0.3
83.01369	1.7
84.04550	1.5
85.02940	3.0
87.00863	1.1
89.02448	0.9
95.01365	0.6
99.00890	0.4
101.02443	3.8
102.05610	27.2
103.73743	0.3
104.75365	0.3
111.00836	0.5
113.02441	1.6
121.02923	0.4
124.01616	0.3
125.02447	1.0
126.14768	0.4
128.03542	42.1
135.09114	0.3
143.03487	0.4
143.10820	0.4
146.04593	6.9
165.73792	0.3
180.06609	0.8
189.14200	0.3
249.22902	0.4
269.21225	0.9
287.19107	0.8
287.22284	11.6
301.23917	0.5
326.26755	0.4
372.27707	0.8
373.88782	0.4
431.26556	4.8
449.27551	28.3
450.27930	0.8
462.30478	0.4
518.26941	0.6
534.32800	3.4
536.27686	0.4
542.25623	0.5
560.30475	4.6
578.31812	100.0
579.32214	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	578.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	15.9
61.49625	0.2
61.98837	0.5
62.95005	0.2
69.17073	1.5
71.01386	0.3
78.95906	6.2
79.95734	0.7
80.96517	3.6
94.98107	0.8
98.21828	0.4
128.09526	0.2
148.99185	0.3
152.98523	0.4
152.99609	1.5
164.98625	0.7
168.04318	2.0
194.05621	0.2
218.52324	0.3
224.06956	1.0
225.00760	0.7
242.07983	2.6
261.22333	0.5
279.23285	100.0
280.23581	3.2
438.84009	0.2
504.30948	35.0
505.31412	1.7
511.02280	0.3
578.27240	5.7
579.27319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49061	0.4
59.01380	21.1
61.98820	1.6
67.15423	0.4
69.16148	1.7
69.16553	0.9
71.01366	0.5
78.95903	19.3
80.91520	0.4
80.96516	3.8
94.98103	0.8
143.72701	0.4
152.99603	3.9
164.98674	0.6
168.04303	3.4
224.06915	8.9
225.00729	1.0
242.08005	2.1
279.23285	100.0
280.23624	3.4
420.59982	0.4
504.30957	79.6
505.31354	4.0
578.27332	0.8
579.28516	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.1
61.98826	5.2
65.00337	0.8
70.74030	0.7
70.74374	0.6
71.01399	2.1
73.02965	0.9
77.03966	1.0
79.01891	1.2
84.69027	0.5
89.02450	2.8
97.02990	0.8
101.02440	1.2
107.01379	0.7
109.02954	1.7
121.02976	2.2
127.87074	0.6
133.02953	12.6
135.04535	2.4
146.60120	0.5
147.04514	0.9
148.01753	0.6
149.02484	0.6
149.04512	1.1
150.90775	0.6
151.00414	0.7
161.02464	1.0
163.00389	1.7
163.04028	3.0
165.01923	3.1
171.04593	0.6
175.03992	3.3
177.01945	1.7
191.03574	0.5
193.01456	0.6
199.04019	2.3
199.07771	0.7
201.01939	1.1
211.04001	1.1
211.07603	0.8
212.04691	0.8
213.05537	1.6
225.05626	0.8
227.03482	0.9
227.07158	0.7
231.06589	0.7
240.04254	1.1
241.05103	1.2
243.02985	0.8
253.05029	1.9
255.02943	0.8
255.06747	0.9
269.04572	1.4
284.03214	3.6
285.04047	12.4
297.04041	16.6
298.04791	11.7
299.05603	33.5
300.05786	0.7
309.04065	1.0
311.05652	6.0
325.03537	1.2
327.05093	100.0
328.05396	2.2
330.03839	1.7
337.03528	2.3
339.05084	9.7
341.06494	0.6
355.04303	0.8
357.06140	51.5
358.06421	1.7
369.06168	3.2
383.07434	0.7
387.07117	1.9
393.06274	0.9
411.07098	6.2
429.08167	1.7
517.33539	0.6
519.24200	1.6
543.02271	0.9
561.12262	2.4
572.55811	0.5
579.13513	63.0
580.13702	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	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52159	0.6
59.01385	2.7
61.98835	2.6
67.28810	0.6
69.54450	1.1
69.54838	2.2
71.01395	1.5
77.03983	0.8
83.48157	0.6
85.02971	0.6
89.02441	1.3
94.21188	0.6
96.95992	0.7
97.02985	0.7
99.00900	0.6
101.02455	0.9
105.03406	0.9
107.01398	0.7
109.02969	2.4
110.01616	0.6
113.02461	0.9
116.89279	0.6
121.02987	1.8
133.02963	14.2
135.04543	2.6
142.33160	0.6
149.02428	0.8
151.00389	0.6
151.04010	0.7
161.02454	1.5
163.00374	2.6
163.04012	2.6
165.01971	2.7
175.03998	4.0
177.01859	1.0
187.04103	0.7
191.03584	1.4
193.01408	0.9
198.03131	0.8
199.03958	1.7
201.01930	2.0
209.05969	0.8
211.04022	0.7
213.05540	0.8
225.05707	0.9
227.07091	0.7
228.42906	0.6
237.05582	0.7
240.04327	0.9
241.05154	0.7
253.05113	1.9
255.06656	1.2
256.51447	0.7
269.04572	1.9
281.04593	0.9
284.03281	5.0
285.04056	10.5
297.04037	20.0
298.04800	12.0
299.05618	31.6
300.06046	1.2
309.04095	1.4
311.05600	6.3
324.02795	1.0
325.03470	2.4
327.05103	100.0
328.05518	3.0
330.03809	1.3
337.03571	2.9
339.05090	10.9
357.06149	54.6
358.06509	2.0
369.06085	3.4
387.07336	1.6
393.06247	1.2
399.14371	1.0
402.26019	0.6
411.07217	6.9
429.08304	1.0
499.42297	0.7
519.24286	0.8
561.12433	2.8
579.13550	68.0
580.14435	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	579.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
67.61535	0.8
78.95905	63.1
92.02563	1.6
96.35429	0.8
96.96942	8.4
107.03653	7.5
114.02690	0.9
133.01555	7.9
134.04727	100.0
150.04219	14.4
152.99532	0.9
153.62547	0.8
159.23860	0.8
162.35350	0.8
165.20825	0.9
176.99525	1.4
194.98830	0.9
195.00630	19.3
225.44476	0.9
249.83395	1.0
254.32497	0.8
281.11465	0.9
346.05579	10.2
356.69150	0.9
364.80566	1.0
444.09250	29.8
445.09552	1.1
579.14655	39.2
580.15149	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	579.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22544	0.7
57.03453	1.5
61.74084	0.7
63.09131	0.7
69.19817	1.8
69.20235	2.6
79.63711	0.7
81.03445	2.8
83.01388	2.6
83.90844	0.6
88.13458	0.7
93.03471	1.5
95.05029	3.0
97.02937	5.9
108.02219	1.6
109.02212	1.4
109.02952	23.7
121.02966	3.4
122.03761	1.8
123.04522	15.7
125.02446	15.2
125.87092	0.8
135.04549	1.7
137.02434	10.6
139.04025	2.7
145.02895	1.3
146.03729	1.8
149.02448	3.3
151.04005	7.1
159.04486	3.3
160.05270	1.0
161.02443	1.1
161.06087	4.8
162.03181	1.9
164.01100	4.1
165.01921	3.2
167.03534	0.9
173.06096	1.2
175.04018	2.2
175.07594	1.8
179.03488	5.5
187.03989	4.6
188.04800	3.1
202.06317	1.5
203.07111	13.3
205.05054	7.3
221.08092	3.8
227.07117	1.7
227.68001	0.8
245.08191	15.3
271.06140	0.7
289.07172	100.0
290.07388	3.5
363.74063	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10692	2.0
59.01377	72.5
71.01384	24.3
85.02937	6.1
87.00877	3.2
88.62395	2.0
89.02445	26.6
95.01434	2.6
97.63850	2.0
99.00835	4.0
101.02438	16.3
110.00015	2.3
111.00880	5.4
113.02450	12.8
119.03480	12.3
122.12315	2.0
123.00895	2.1
125.02468	3.4
126.90462	100.0
127.00140	4.6
138.03215	3.9
139.00375	46.2
153.01950	19.0
154.02737	40.5
168.04300	11.2
169.05069	41.5
174.98712	2.1
179.05646	6.9
186.03177	8.2
187.03835	2.6
189.07483	2.2
193.01486	2.5
193.05086	3.5
195.23323	2.0
199.03995	3.7
201.05595	11.1
208.03699	7.7
214.06345	5.7
216.07961	4.9
217.04962	3.6
223.06128	14.9
229.08717	4.5
231.10294	3.0
232.07411	3.2
247.09731	11.1
255.03049	2.4
283.02591	2.7
285.03644	4.5
286.04315	3.5
287.04684	2.7
289.10767	3.3
327.12225	4.4
339.08685	3.4
339.12335	4.5
343.21121	3.1
367.12988	2.6
369.09558	4.6
385.12952	2.8
394.12604	5.8
399.14554	6.5
409.15079	23.4
417.11206	2.9
417.16104	3.3
432.10214	3.6
433.10388	3.6
447.12854	4.0
579.21136	42.8
597.74567	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	579.2083
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
59.01376	4.7
59.15108	0.8
59.28189	0.8
67.41418	0.9
69.23119	2.0
69.23510	2.3
71.01379	4.1
85.02960	1.8
87.68269	0.8
89.02453	3.5
101.02444	1.7
109.02978	1.8
113.02448	1.2
119.03519	1.7
123.00879	1.7
123.07981	0.9
137.02454	8.0
151.00357	14.2
152.01160	1.1
152.04810	1.8
161.04550	0.9
166.02718	52.9
167.03459	2.6
177.01941	3.1
179.05576	1.4
181.05063	61.6
182.05447	1.8
192.04347	1.1
205.05005	1.3
207.06618	1.4
253.09236	1.7
343.21329	2.2
359.11163	1.6
367.71359	0.9
387.10818	12.4
402.13196	5.8
417.15533	100.0
418.15836	4.2
501.18170	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22156	1.5
59.01379	32.4
61.98822	2.1
62.29220	1.5
62.56975	1.5
71.01388	8.2
73.02950	26.1
78.95939	1.5
83.01382	5.8
89.02462	1.6
101.02448	17.9
113.02444	3.7
133.20499	1.6
149.04550	3.1
161.04549	4.8
221.06487	1.7
234.47650	1.7
269.19058	5.3
287.20157	6.8
313.18143	19.0
331.19122	100.0
332.19135	1.8
357.34579	1.6
373.20190	5.8
382.26379	2.3
440.24966	2.0
497.18854	2.3
535.25470	57.9
536.25195	1.7
579.30664	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	579.258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	27.9
61.98826	20.8
62.31623	9.3
65.67500	9.6
69.49014	35.9
72.04031	8.5
74.27129	10.2
96.36836	10.7
98.22655	19.0
100.50938	9.2
108.37852	9.6
200.99962	9.6
245.19066	24.2
253.09358	32.0
289.18073	96.8
307.19070	100.0
579.25433	12.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10034	2.3
59.01377	58.6
61.98829	34.1
62.23601	2.3
69.53473	8.5
71.01382	40.5
73.02952	12.7
79.01872	2.3
85.02954	7.3
89.02445	46.2
91.22025	2.3
96.96020	3.2
97.02916	3.1
99.00875	18.6
101.02451	22.7
113.02487	6.8
119.03537	5.0
121.03001	3.4
125.02483	4.4
131.03531	7.3
133.02966	16.2
149.04578	25.8
161.04512	2.9
163.03975	3.3
170.49689	2.2
189.12851	12.6
191.05701	6.9
249.74144	2.1
251.07837	3.1
255.06541	2.5
284.03189	5.9
285.03995	10.4
297.04059	16.5
298.04770	9.0
299.05603	39.3
311.05588	8.9
325.03552	2.9
327.05103	100.0
328.05295	4.3
339.05038	8.9
357.06134	59.6
387.20129	6.8
393.06238	3.6
411.07275	5.4
519.24487	99.6
519.32452	4.7
520.25360	3.5
561.12579	4.3
579.13556	70.9
580.14270	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	579.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.6
59.01381	67.7
61.98801	3.0
71.01382	43.9
73.02944	16.9
77.42392	2.3
85.02972	6.0
87.00872	2.7
89.02444	92.4
96.95985	6.2
98.22637	10.7
99.00872	23.8
101.02434	32.7
109.02985	3.7
113.02422	4.6
119.03514	4.5
123.04509	2.5
125.02436	22.5
126.02789	6.1
131.03496	13.3
132.88655	2.6
133.02931	4.4
135.04527	3.5
149.04555	60.4
149.05666	5.0
151.04062	2.7
161.02380	3.8
161.04523	4.0
191.05586	12.6
221.06596	7.8
251.07742	6.9
285.04086	5.5
289.07065	5.8
290.07559	7.7
291.07846	6.3
293.08569	2.9
297.04004	4.7
299.05521	4.4
311.09818	4.4
327.05023	17.9
357.06174	9.5
402.16110	2.5
407.07562	3.4
409.08224	9.0
430.15036	3.5
453.10892	4.4
475.21942	3.2
477.60477	2.8
519.24438	100.0
520.24548	6.2
579.13586	12.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11475	0.7
58.54580	0.7
58.85539	0.7
59.01361	1.9
61.98821	1.8
63.96247	0.8
69.36642	0.7
70.99936	0.8
71.01388	6.3
71.17094	0.7
73.02929	1.7
78.95920	1.1
78.98586	6.4
79.95735	11.1
80.16740	0.8
80.96516	67.9
85.02950	2.3
87.00880	2.7
87.80569	0.7
94.98090	15.1
96.96010	27.3
97.02937	2.3
98.15885	0.8
101.02452	2.7
106.98085	2.5
113.53822	0.7
122.97576	2.9
125.02458	2.0
134.97556	5.0
136.99159	2.6
148.99152	5.8
152.98555	4.6
152.99690	0.9
155.74504	0.7
164.98625	12.5
171.00661	0.8
182.40848	0.7
206.99635	1.9
225.00742	15.2
245.04248	1.0
279.23413	2.0
299.04361	2.9
403.50085	0.7
449.13690	0.8
481.25922	1.8
579.28436	100.0
580.28802	5.4
588.51422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13181	0.4
51.56526	0.3
59.01377	2.0
61.98827	1.5
63.96230	0.7
69.03471	0.6
69.26138	0.9
69.26530	0.6
71.01379	6.5
73.02962	1.7
78.95892	1.7
78.98589	5.2
79.95733	7.7
80.96517	57.6
81.03452	0.9
84.48400	0.4
85.00449	0.4
85.02966	2.6
87.00878	2.3
91.03267	0.4
94.13322	0.4
94.98090	13.6
96.96005	1.1
97.02949	1.6
101.02454	2.5
106.98090	2.6
113.02395	0.4
122.97578	4.6
125.02448	2.6
127.04038	1.2
134.97586	4.5
136.99155	1.0
143.62994	0.4
148.99141	5.8
152.98622	6.3
152.99721	0.7
164.98627	10.7
167.00172	0.7
179.00139	0.6
182.99622	2.3
206.99757	2.6
218.75900	0.4
225.00735	16.9
243.01849	1.9
255.23242	0.5
265.79883	0.4
279.23328	2.6
280.23962	0.4
281.24850	5.4
298.08392	0.4
298.26971	0.4
299.04358	3.0
302.67969	0.3
414.25275	0.5
506.33008	1.9
579.28436	100.0
580.28937	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	579.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	3.3
59.73723	0.2
60.01725	0.5
61.01814	0.6
61.98830	100.0
63.38239	0.2
69.76733	0.5
69.77127	0.5
78.95908	2.2
80.96378	0.3
98.21961	0.3
112.45821	0.2
121.90572	0.2
152.99651	0.9
168.04285	0.3
209.06371	0.2
212.12491	0.3
242.08015	0.3
242.13646	0.2
242.50363	0.3
244.08331	0.3
263.68997	0.3
277.21722	7.0
278.22073	9.5
279.19379	0.4
279.22406	6.7
280.22641	3.3
362.87250	0.3
365.26932	1.9
502.29285	1.2
503.29706	1.3
504.30035	2.3
505.30261	5.3
561.28229	1.1
579.29944	0.3
586.24628	0.3
602.95233	0.3
605.54541	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26445	0.4
51.45094	0.4
53.73494	0.4
55.75019	0.4
59.01379	1.1
61.98829	100.0
63.96233	0.6
69.03441	0.4
71.01373	4.3
72.01731	0.8
73.02969	1.1
78.95912	1.4
78.98587	2.0
79.95737	4.3
80.96516	26.8
80.98180	1.1
81.03465	0.4
81.95322	2.4
81.96491	0.8
82.96098	22.0
82.96938	2.6
85.02953	1.8
85.46947	0.4
87.00881	1.4
94.98082	5.7
96.96042	0.6
96.97667	5.2
96.98507	0.6
97.02985	0.9
101.02461	2.2
106.98102	1.2
108.97678	1.0
108.98508	0.4
122.97572	2.1
124.97147	1.7
125.02472	1.9
127.04037	0.4
134.97595	1.4
136.97160	1.5
148.99101	1.9
150.98743	1.4
152.98643	1.6
152.99725	0.5
153.98807	0.5
154.98132	2.2
158.89604	0.4
164.98622	3.1
165.99051	0.7
166.98109	3.8
182.99680	0.5
184.99194	0.5
206.99661	0.7
208.99187	0.6
225.00745	3.7
226.01056	2.2
227.00266	4.4
243.01717	0.4
245.01457	0.6
262.57141	0.5
277.21716	3.1
278.22110	1.3
279.22324	1.4
280.22757	0.8
301.04211	0.8
346.08786	0.4
365.26947	1.2
472.13574	0.4
502.29306	1.5
504.29984	0.8
505.30396	2.1
561.28107	0.9
578.27136	0.8
579.27032	71.8
580.27216	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
84.95110	1.8
92.12891	1.1
94.63570	1.0
97.63182	1.0
115.89046	1.0
118.95582	1.0
171.10239	1.0
212.38182	1.1
224.66861	1.1
253.09245	1.6
275.20233	1.2
289.18015	3.1
307.19232	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01732	0.3
61.98826	0.5
68.59106	0.2
69.19498	1.5
71.01384	0.7
73.02974	0.3
80.91708	0.3
84.71918	0.3
85.02950	0.3
89.02443	0.3
95.52798	0.3
101.02476	0.5
113.02442	0.3
135.04510	0.3
179.03539	0.3
197.93242	0.3
204.71695	0.2
220.57364	0.3
249.18150	0.3
477.28796	1.1
579.31714	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.2
61.98834	10.4
71.01378	1.4
75.46866	1.0
89.02455	3.2
93.03437	0.9
113.02431	1.2
117.03439	2.9
119.03473	1.0
125.02469	1.5
133.01515	0.9
135.04526	1.1
149.00905	1.0
149.02429	2.0
161.02426	1.5
223.06192	1.7
240.56369	0.9
254.02310	1.3
298.04459	1.2
298.07248	10.0
298.10287	1.6
327.05063	1.3
328.05057	1.3
329.94629	0.9
340.08304	8.0
342.06396	1.1
375.05078	1.9
400.14752	2.7
460.10333	6.2
461.10272	1.3
580.14575	100.0
581.14734	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	580.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56570	1.1
59.01378	2.9
61.98838	41.5
69.26376	2.0
69.26672	6.7
73.23289	1.3
96.96017	1.6
98.21823	1.8
120.01264	100.0
148.91011	1.9
172.98894	1.1
196.72417	1.3
220.09976	1.5
268.78247	1.2
494.05939	2.5
548.12952	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	580.186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96513	1.0
59.01378	1.8
61.98831	25.2
66.17222	1.1
70.76092	1.8
84.87927	1.3
87.95982	1.0
96.96008	1.3
108.30442	1.0
118.43375	1.4
120.01251	100.0
164.59970	1.3
187.00696	1.2
188.32831	1.1
214.06032	1.2
215.28128	1.1
286.65479	1.2
300.22610	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24199	1.6
56.85072	1.4
59.01377	21.3
61.98835	11.7
68.96697	1.4
69.10124	10.2
71.01389	6.9
71.31463	1.7
71.49899	1.6
78.80326	1.4
85.02936	2.3
89.02444	6.2
101.02443	5.1
113.02454	3.3
119.03510	4.9
120.01254	100.0
134.03760	1.7
135.04500	2.0
207.02921	1.7
208.03455	1.6
209.04378	1.6
220.09790	1.9
304.08286	1.5
336.10620	4.3
343.21445	2.3
344.21503	1.8
366.86896	1.8
367.12915	6.8
368.13199	16.0
369.13400	5.7
399.10736	2.6
400.11148	6.4
547.19635	2.6
548.19714	14.9
581.93896	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	580.204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20154	8.0
59.01378	97.9
61.98822	39.2
69.07899	62.8
71.01376	50.0
86.02715	9.7
89.02441	100.0
92.52240	10.2
95.04746	11.3
98.21798	18.2
101.02451	22.5
113.02444	25.0
118.90617	9.7
119.03487	34.3
138.72404	9.1
146.03778	25.0
150.03317	22.4
162.03192	28.1
164.04797	25.5
165.05571	25.4
170.30948	9.3
177.05582	24.6
179.05574	44.9
179.07051	19.7
195.06606	19.3
208.03737	16.9
223.06065	39.0
339.12408	9.2
400.14621	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41844	0.8
55.01864	1.1
57.03440	0.9
59.01379	36.4
61.98821	2.0
63.73545	0.7
68.50713	0.6
69.03455	3.1
69.18475	0.6
70.60001	1.4
71.01379	44.8
73.02930	3.9
73.06222	0.7
74.99072	0.9
79.09144	0.8
81.03448	2.0
83.01381	2.9
85.02956	5.5
87.00887	0.8
89.02441	43.9
96.96002	2.9
97.02956	5.1
99.00884	0.8
99.49553	0.7
99.56802	0.7
101.02440	9.0
106.04247	1.6
107.05029	6.5
113.02458	6.5
116.92852	2.5
118.98096	9.0
119.03522	1.3
120.97667	4.7
121.02949	2.6
122.03738	13.0
123.04511	2.0
125.02450	20.1
129.11037	0.7
131.03499	11.2
134.03723	2.5
135.04523	24.8
137.02432	1.1
138.76761	0.8
139.03981	1.0
143.03481	1.5
149.04556	21.9
151.06358	1.5
152.07169	100.0
153.07523	1.3
154.02728	0.7
160.04030	2.9
163.04065	0.8
173.04488	0.8
191.05608	5.0
205.83008	0.7
233.06647	3.3
240.06734	0.9
268.06119	2.2
286.10709	1.0
293.08768	80.5
294.09348	1.0
349.22260	0.7
429.13910	5.0
562.15802	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	580.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40953	0.2
59.01379	2.1
61.98830	100.0
62.15777	0.2
65.79634	0.2
66.04570	0.2
69.32919	0.8
69.43590	0.2
71.01382	1.7
73.02946	0.6
74.06014	0.2
82.43629	0.2
89.02438	2.4
90.02802	0.3
91.72518	0.2
98.22694	0.2
99.00893	0.8
101.02453	0.9
102.02789	0.3
113.02474	0.4
117.77891	0.2
119.03564	0.4
123.14064	0.2
131.03568	0.4
133.02968	0.4
139.93117	0.2
149.04576	1.0
154.18304	0.2
161.04660	0.3
191.05664	0.3
192.06676	0.9
285.03915	0.3
286.04645	0.3
299.05478	0.6
300.05914	0.5
327.05170	1.0
328.05423	1.8
357.06256	0.5
358.06421	1.3
388.20801	0.3
429.22729	0.2
519.24585	0.7
520.24866	3.0
580.13904	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	580.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.9
61.98830	100.0
69.60162	0.2
69.60513	0.5
71.01393	0.6
73.02961	0.2
89.02463	0.6
93.03477	0.3
96.96019	0.4
98.21955	0.3
99.00919	0.2
101.02470	0.3
108.89328	0.1
113.02426	0.2
124.66559	0.1
135.04547	0.2
138.03230	0.2
149.02438	0.2
149.04602	0.2
156.08313	0.2
160.39404	0.2
161.02499	0.2
165.04263	0.1
172.23615	0.2
223.06192	0.2
253.62837	0.2
266.08313	0.4
296.06396	0.2
328.05109	0.2
537.56213	0.2
580.14227	0.4
581.22913	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.3
59.01369	0.6
61.98830	100.0
71.01385	0.4
80.91679	0.3
83.01394	0.3
86.44396	0.2
89.02499	0.5
90.84529	0.3
95.05048	0.5
97.02921	0.5
100.43595	0.2
101.02421	0.3
103.41663	0.2
109.02950	1.9
110.03309	0.5
123.04542	1.3
124.04855	0.6
125.02438	2.0
126.02801	0.3
135.04544	0.5
137.02457	1.0
139.04001	0.4
149.02472	0.4
150.37877	0.2
151.04042	0.7
159.04459	0.3
160.04051	0.5
161.05908	0.3
165.01958	0.4
172.76506	0.2
179.03540	0.8
180.03894	0.3
188.04742	0.4
203.07149	1.0
204.07451	0.5
205.05038	0.7
228.07275	0.3
245.08231	1.0
246.08614	0.8
253.61063	0.2
289.07196	4.5
290.07571	4.7
290.10684	0.2
420.37488	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.2
61.98825	3.6
70.00719	1.1
70.01048	2.0
72.99316	1.9
80.91698	2.9
82.95424	5.3
84.99289	1.3
87.00877	10.5
98.22599	1.1
103.00381	2.9
107.05006	1.6
109.02921	2.4
112.98812	30.2
130.99858	2.2
133.02985	3.1
134.03737	4.2
135.04526	76.7
137.02408	1.4
139.00377	2.8
159.04416	1.3
161.02449	6.8
163.03998	5.4
179.03491	42.3
180.03807	1.0
185.31857	0.9
187.03873	1.1
191.03464	3.1
196.98405	0.9
219.03012	13.0
231.02943	1.6
250.69830	1.0
268.22675	1.4
286.23886	100.0
287.24194	3.7
293.02975	17.5
339.77570	1.0
343.62915	1.0
418.24493	33.8
419.24893	1.2
438.72491	1.0
448.27039	9.5
580.14813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	71.4
61.98839	100.0
68.61739	17.4
71.44424	20.7
75.06623	16.9
96.96001	23.1
132.29636	21.4
135.27271	20.0
149.00912	34.2
338.40439	23.9
474.23514	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	580.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36417	0.3
60.16286	0.2
61.98830	100.0
68.67743	0.2
69.14374	0.9
69.14799	0.7
78.95904	1.2
79.95723	0.5
80.96505	2.4
94.98106	0.8
96.96008	7.7
96.96593	0.5
152.99620	0.3
164.98677	0.8
167.01257	0.3
181.71454	0.2
195.54559	0.3
225.00829	0.8
255.23299	1.2
281.24948	0.6
483.27707	0.6
537.19446	0.6
581.20709	0.5
581.29852	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	580.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
62.12025	0.5
69.78319	1.4
78.95927	1.3
84.71080	0.4
96.96030	2.1
98.22538	0.8
162.14597	0.5
175.56252	0.6
199.36380	0.5
239.48877	0.5
257.60742	0.5
261.83780	0.5
264.35938	0.5
346.41656	0.5
401.79489	0.5
581.30121	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19044	1.0
59.01381	14.0
61.98832	15.1
63.99247	3.3
78.95894	8.6
80.96513	3.7
85.00439	14.6
88.26991	1.0
96.96010	3.4
101.34388	1.0
107.03192	1.1
152.88435	1.0
152.99628	1.5
160.84142	2.0
164.98656	1.6
168.04341	2.6
242.07924	3.1
255.23152	1.1
276.55624	1.3
281.24857	100.0
282.25208	3.6
325.15665	1.2
462.11536	1.1
506.32483	34.1
507.33163	1.5
580.28925	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	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98886	1.3
59.01376	17.5
61.98830	14.8
63.99255	3.1
67.75473	1.1
78.95906	20.7
80.96517	3.9
81.34112	1.2
83.74669	1.2
96.96001	6.3
98.21959	1.3
113.11369	1.2
125.01614	1.2
128.23186	1.3
147.14131	1.2
152.99594	3.6
159.77167	1.2
160.84203	2.2
164.98560	1.6
168.04251	2.5
211.37389	1.4
215.28610	1.5
224.06984	6.6
281.24866	100.0
282.25183	2.6
320.42148	1.3
346.51599	1.4
350.94794	1.5
506.32523	70.4
507.32782	2.2
552.11920	1.4
580.29016	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	580.3701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71686	0.4
60.21864	0.4
61.98832	100.0
69.93925	0.7
69.94250	0.9
78.95907	1.3
96.96021	4.2
98.22536	0.6
109.45840	0.5
116.92859	0.5
186.50562	0.4
255.23393	0.6
454.81396	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3702
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26010	0.8
61.98830	100.0
68.43939	0.9
69.15053	4.4
75.66171	0.9
78.95897	14.7
79.95729	2.7
80.96524	5.5
93.32166	0.9
94.98092	1.7
96.96010	50.5
98.93917	1.5
113.92622	1.8
114.93408	1.1
116.45200	0.8
117.95737	0.8
134.97632	0.9
152.99583	3.8
164.98611	1.3
177.89653	1.2
178.90508	1.2
194.90018	1.4
208.93135	1.2
243.01523	0.9
255.23276	7.6
281.24774	2.2
298.96140	1.0
343.01089	1.8
439.55344	1.0
483.27194	4.0
506.32767	1.1
537.19562	4.4
569.18225	1.6
581.19763	7.5
581.29987	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	581.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98035	1.3
59.01385	1.9
60.03308	1.1
61.98835	35.1
69.32305	3.4
69.32697	2.8
96.92642	1.2
98.22620	3.1
103.76427	1.5
120.99660	100.0
158.68523	1.4
192.99699	1.6
207.06703	1.5
208.01949	2.1
223.04358	2.7
341.90884	1.6
523.11102	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1824
Annotation	Crinemodin-rhodoptilometrin bianthrone
Peak:m/z	Relative Intensity
59.01382	5.7
61.98821	1.4
70.98055	1.2
71.01382	1.0
72.97163	0.8
78.95903	100.0
79.95734	2.3
82.75301	0.7
84.64780	0.7
96.96013	87.1
96.96905	5.7
97.95953	1.0
98.93903	0.9
98.95577	4.0
98.96373	0.9
99.92593	9.6
100.93363	16.1
110.21540	0.8
113.92593	1.9
115.92088	22.8
116.92866	26.6
117.92811	0.9
120.96949	1.4
148.91058	1.1
150.98015	3.7
152.99596	27.6
154.28503	0.8
162.88985	1.2
163.89751	5.3
164.90511	8.4
168.04280	0.9
171.00652	10.5
171.94768	1.1
172.95435	6.5
174.92577	0.9
177.89761	1.1
178.88411	10.8
178.90564	1.6
179.89226	31.9
180.90005	24.9
181.90836	5.7
190.92043	1.4
194.89888	0.8
196.89488	35.3
197.89542	0.9
204.90050	1.2
205.90799	8.5
206.91577	5.9
208.89410	1.1
218.91521	2.3
219.92197	1.2
221.90201	1.7
224.06868	2.6
232.93143	0.9
234.91010	2.8
234.93217	1.0
235.91823	8.6
236.92628	26.7
237.93219	1.9
252.92122	3.5
253.92834	1.8
255.23260	11.4
261.93500	1.1
270.93164	1.5
276.95776	2.7
278.93607	4.1
281.24857	23.9
282.25201	13.1
292.95200	2.8
297.64896	0.8
308.94745	1.0
309.95474	2.7
310.96414	7.6
326.95477	1.2
328.52908	0.8
343.01010	1.5
473.14066	5.4
483.27249	6.7
490.14694	5.5
506.32526	14.0
507.32904	13.3
533.16223	4.2
545.16064	6.4
563.16925	8.4
581.18286	89.9
582.18597	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23722	0.8
59.01381	2.9
61.98837	6.9
69.20818	3.2
69.21223	2.0
71.01370	1.7
71.32997	1.0
92.89516	0.9
93.03461	3.0
101.02431	1.6
103.72625	0.9
121.02962	6.7
122.03742	5.9
135.04503	3.1
138.03209	1.1
138.99231	1.0
142.28894	1.1
149.02440	34.4
150.03227	45.2
152.01134	4.3
163.04015	4.7
164.04785	22.5
165.01909	2.6
165.05568	48.0
179.07076	6.8
180.04274	3.7
192.38780	0.9
193.01427	14.5
193.17503	1.0
195.06641	36.5
208.03786	35.2
223.06129	100.0
224.06433	2.1
265.07159	2.4
371.11346	8.2
401.12320	1.6
419.13385	27.0
500.58200	1.2
581.21649	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	581.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64695	0.8
59.01364	3.1
67.80383	1.0
71.01369	1.7
82.44317	0.9
85.02957	1.5
89.02437	2.3
93.03445	1.4
113.96037	0.8
116.26798	1.0
119.03456	1.0
121.02937	4.3
122.03726	3.7
135.04482	3.0
147.04448	0.9
149.02431	25.5
150.01987	1.7
150.03215	34.0
151.03976	1.1
152.01064	4.5
162.03212	3.6
163.04005	4.9
164.04787	20.4
165.01892	2.8
165.05557	33.2
177.05481	1.2
179.07150	6.6
180.04282	2.9
193.01411	12.5
195.04771	1.1
195.06598	25.0
208.03754	34.2
209.04005	0.9
223.06099	100.0
224.06425	2.2
265.06903	1.1
344.12503	1.2
359.14783	1.1
383.11258	1.7
389.15839	2.1
419.13489	9.5
450.73331	1.0
521.19873	5.0
556.48547	1.1
581.18439	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	581.1876
Annotation	Gnetifolin K
Peak:m/z	Relative Intensity
59.01376	9.2
61.98819	4.3
69.59530	3.4
69.59907	4.3
71.01366	3.7
79.09393	1.7
85.02902	2.1
93.03444	5.1
93.32448	1.8
96.96011	1.9
98.21888	2.1
101.02441	1.8
106.83633	1.8
121.02940	11.2
122.03761	13.2
123.04502	6.2
126.90441	2.1
128.90147	15.6
128.93275	2.2
129.01910	3.3
129.05534	2.4
129.06609	2.0
134.03685	2.8
135.04536	5.2
138.85591	1.6
139.07846	1.8
147.04524	2.8
149.02438	59.8
150.03226	86.4
151.03998	24.8
152.01128	5.5
162.03264	3.3
163.03992	11.3
164.04791	59.3
165.05565	93.2
169.05067	2.1
170.93022	2.3
177.05486	3.1
179.07130	12.2
180.04279	7.4
181.05029	15.8
181.79344	1.8
190.02759	3.2
191.07120	1.9
193.01428	17.8
195.06638	43.8
200.31825	1.9
205.04935	5.4
205.08707	3.2
206.05769	4.2
207.06693	2.6
208.03789	39.3
208.07228	1.8
210.05351	1.9
221.08330	3.2
222.05301	4.4
223.06120	93.4
250.04749	2.0
265.07178	13.5
270.94867	2.0
389.16083	17.5
419.13434	100.0
420.13748	6.0
461.14468	4.5
581.18695	72.7
582.19165	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	581.2238
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
55.01865	1.5
58.00573	0.9
59.01381	34.0
61.98830	15.9
63.04981	0.7
66.90253	0.8
70.65369	1.1
71.01382	17.6
72.99297	1.0
73.02938	2.8
75.00874	0.8
81.40167	1.0
83.01382	3.6
85.02964	5.6
87.00875	2.4
89.02451	12.5
95.01350	1.9
99.00870	1.8
101.02446	10.4
113.02451	7.2
115.04001	2.6
119.03497	6.1
123.00890	6.8
124.01656	1.5
131.03474	1.0
138.03235	15.4
139.04022	3.2
141.57825	0.8
143.03455	2.2
149.02426	1.9
150.03210	4.3
153.05586	10.4
159.04593	1.0
161.04527	0.8
164.04730	1.7
165.05582	3.9
177.05490	1.0
179.05576	1.9
187.04022	3.0
188.04730	1.4
189.05656	1.7
195.06633	2.9
201.05496	2.0
202.06377	3.3
203.07106	2.9
205.05090	2.0
208.03796	2.5
221.08134	2.0
223.06111	4.9
230.60048	0.9
233.08147	9.2
251.09462	0.8
297.03998	1.0
312.06308	1.3
313.07147	2.1
325.07117	1.1
326.07703	1.2
327.08740	2.6
328.09451	1.1
340.09225	1.4
341.06589	1.2
341.10297	2.3
343.08096	1.4
344.08905	3.2
355.11850	3.7
357.13470	0.9
358.10428	5.4
359.11417	9.1
360.11728	1.1
371.11368	8.9
372.11954	1.0
373.12820	13.3
386.13751	3.0
389.12250	4.7
401.16037	3.7
404.14719	8.9
405.15393	3.3
419.17242	30.6
420.16812	1.0
566.19958	2.9
581.22382	100.0
582.23029	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	581.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.6
61.98823	1.0
64.41459	0.3
71.01382	1.1
74.80985	0.4
75.88684	0.4
85.02970	0.4
96.96024	0.6
98.21864	0.9
99.92566	1.2
101.02454	0.7
101.81856	0.3
102.18430	0.4
102.73464	0.4
109.02930	0.6
112.98822	0.5
113.02425	0.5
116.92864	11.0
117.92871	1.0
118.96571	0.3
119.04990	0.4
125.02454	0.6
128.03534	0.4
128.90164	0.5
135.04518	1.0
136.01695	0.7
137.02443	2.9
138.03265	0.6
145.02956	1.3
147.04518	1.5
150.03221	0.5
151.00354	1.0
151.04030	4.2
152.04778	1.2
158.03712	0.4
161.02382	0.4
161.04593	0.4
162.03242	0.7
163.04007	4.7
165.05540	0.4
166.02644	0.4
166.06322	1.3
172.97838	0.3
173.02351	0.4
173.06140	0.4
174.03241	2.6
175.04005	12.5
176.04785	2.7
177.05502	1.8
179.03491	0.9
180.04292	4.1
181.05095	0.7
188.04758	3.2
189.05580	5.8
190.06360	19.1
191.07140	11.1
192.04266	1.2
193.05084	5.1
194.05864	4.4
203.07182	1.6
204.07933	1.1
205.08690	17.3
205.10623	0.8
207.06633	4.7
208.07401	19.6
222.08963	7.0
223.06136	1.2
223.09758	0.8
287.05463	0.4
294.35489	0.4
298.04779	1.8
320.52396	0.3
341.06680	1.0
359.11484	0.6
374.13721	2.9
389.16061	100.0
390.16306	3.2
419.17328	4.8
460.79916	0.4
461.10956	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	581.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12141	1.0
55.01863	1.7
59.01378	100.0
66.13589	1.1
69.64082	2.2
69.64411	1.7
71.01382	52.1
71.32952	1.2
73.02940	1.6
83.01366	1.9
84.50751	1.3
85.02971	5.9
87.00880	3.1
89.02441	67.2
95.01387	3.2
98.21828	2.1
101.02444	28.0
101.85490	1.3
106.99211	1.1
110.26733	1.2
113.02448	20.2
119.03506	32.2
123.95959	1.1
131.03520	3.5
135.21613	1.1
137.02448	1.3
140.60999	1.2
143.03526	6.0
149.04549	2.6
151.03998	2.0
153.05609	2.0
161.04604	6.2
175.03964	3.8
177.05502	2.3
179.05612	13.9
187.04002	3.7
188.04759	1.9
190.06381	2.0
202.06377	2.1
203.07089	3.2
205.05020	5.1
220.07408	6.6
235.09688	4.3
313.10880	1.9
341.10291	5.9
355.11996	1.2
356.12662	2.8
371.11212	1.7
389.15988	2.1
401.16016	43.9
402.16196	1.5
484.20276	1.3
540.01959	1.4
581.13470	2.3
581.22449	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	581.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	67.4
61.98807	2.0
69.53378	3.4
69.53769	3.3
71.01385	17.2
73.02946	47.9
74.18110	1.4
75.28622	1.6
83.01398	10.8
89.02451	4.4
95.01330	1.5
98.22578	2.7
101.02451	29.0
113.02435	8.1
119.03558	2.8
125.02483	2.2
128.48705	1.5
131.03506	2.5
136.47697	1.4
138.62241	1.8
143.03494	1.8
149.04553	3.7
161.04514	8.6
203.05566	2.3
221.06720	3.0
243.21097	10.3
271.20737	2.6
289.21744	61.5
290.22195	3.0
303.23364	4.6
315.19617	45.7
333.20706	100.0
334.21045	4.7
375.21780	9.3
410.92801	1.6
537.27069	26.3
581.24988	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	581.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15429	8.3
59.01377	100.0
61.98829	12.1
75.59273	8.8
76.30565	9.7
77.94250	8.5
84.32559	9.6
103.73853	9.2
115.80316	9.6
130.34216	9.3
155.37018	9.1
157.85318	10.5
309.20563	10.3
431.92853	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	581.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33852	0.8
59.01362	2.5
63.96223	0.9
67.46796	0.5
69.45959	0.5
71.01385	6.5
71.40797	0.7
73.02935	1.9
73.92969	0.5
78.95904	1.3
78.98601	4.4
79.95744	8.1
80.96518	54.8
81.03456	0.9
85.02931	2.3
87.00890	2.3
92.58320	0.6
94.98093	13.3
96.96008	5.8
97.02935	2.3
101.02417	2.3
106.98079	2.2
109.46046	0.6
113.02422	0.9
117.54501	0.7
122.97601	4.2
125.02450	3.3
127.04013	1.2
134.97566	3.7
136.99069	1.2
148.99138	6.2
152.98610	6.6
152.99672	1.0
164.98637	9.9
182.99667	2.3
188.98677	0.9
206.99730	3.5
225.00742	17.6
227.57462	0.7
243.01720	3.1
255.23210	2.6
281.24850	3.6
299.04343	2.4
338.10135	0.7
370.55624	0.7
483.27423	1.9
581.29993	100.0
582.30298	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	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98832	100.0
65.49889	0.2
78.95940	1.0
91.35979	0.2
96.66094	0.2
152.99669	0.3
209.64990	0.3
215.65590	0.3
229.04237	0.2
242.08154	0.4
279.23291	4.2
280.23636	5.1
281.23901	3.6
282.24213	2.3
367.03998	0.3
429.90054	0.3
504.31424	0.9
506.31985	0.9
507.31738	3.5
507.38171	0.3
581.32324	0.4
597.50964	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48367	0.4
61.98828	100.0
65.66040	0.5
78.95910	1.3
162.83984	0.8
279.23227	1.6
280.23752	1.2
301.70245	0.6
504.31345	1.3
507.32025	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01713	0.4
61.98833	4.0
69.55080	1.8
71.01388	0.5
82.95439	1.4
96.96011	0.6
98.21770	0.4
98.93440	0.4
106.21460	0.3
155.53963	0.4
167.14952	0.4
187.92403	0.4
288.68311	0.4
359.37619	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01712	0.3
61.98830	0.7
69.22211	0.7
69.22622	0.6
82.69359	0.2
82.95436	0.3
86.66104	0.3
89.02458	0.4
91.21818	0.2
94.55102	0.2
96.96045	0.6
98.21831	0.4
108.34959	0.2
116.97358	0.3
118.96977	0.2
182.58429	0.2
205.35237	0.2
276.80121	0.2
302.37482	0.2
404.93704	0.3
437.37704	0.2
455.02719	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20472	0.4
59.01380	100.0
61.98842	0.5
62.47784	0.5
69.87980	1.1
69.88304	0.6
96.95999	0.9
96.98216	0.5
101.02516	0.5
112.67392	0.5
118.09247	0.4
254.85907	0.7
334.51184	0.5
581.26526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01715	0.9
61.98827	0.5
69.59586	1.3
73.02967	0.5
101.02432	0.4
113.02473	0.4
113.21735	0.3
113.53851	0.3
118.96916	0.5
132.94473	0.3
189.90759	0.3
245.43065	0.3
289.21674	0.6
333.20468	0.7
468.08783	0.3
537.27142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65939	2.5
57.03428	3.6
59.01380	37.0
61.98830	25.3
62.48313	3.0
71.01369	17.1
73.02936	5.1
77.40207	2.7
78.91872	2.7
82.95406	5.6
85.02937	10.6
96.96021	8.8
101.02411	17.5
111.00868	4.7
113.02435	5.8
120.01276	14.1
120.99666	7.3
132.35030	2.9
171.90936	2.8
227.37946	3.3
230.15210	3.6
254.25540	3.0
359.27985	13.1
521.33331	100.0
522.33716	3.5
537.31525	4.1
556.33655	2.9
580.89648	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	581.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43819	64.3
56.62898	55.5
57.77087	71.8
63.42035	62.7
70.87125	100.0
136.79091	62.5
164.71178	60.5
504.89227	76.6
524.70477	83.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.3826
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86320	60.1
71.00815	77.2
71.27865	66.6
122.99298	77.6
304.03189	64.4
384.63663	74.2
387.36777	70.5
456.50449	71.1
581.29645	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	582.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57514	0.2
53.58361	0.2
59.01373	0.8
61.98829	100.0
69.14039	1.3
71.01399	0.5
88.04982	0.2
89.02473	0.6
98.21862	0.4
113.02412	0.2
125.87374	0.4
148.91013	0.3
161.02512	0.9
162.02858	0.4
164.04759	0.2
176.04799	0.3
179.03523	1.6
180.03853	0.5
183.23856	0.3
194.05843	1.3
195.06204	0.7
208.03841	0.4
209.04073	0.2
209.08186	2.2
210.08585	1.3
223.06157	1.0
224.06493	0.5
310.06302	0.2
516.27954	0.2
546.07422	0.5
562.02100	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86235	0.1
59.01379	0.6
61.98829	100.0
69.16747	0.5
69.17160	0.5
71.01393	0.3
89.02454	0.2
98.21848	0.2
102.98615	0.2
118.23383	0.2
120.01237	0.2
127.47752	0.1
154.19249	0.2
227.89577	0.2
432.95251	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.24
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33075	0.3
59.01377	1.0
61.98829	100.0
62.98541	0.4
63.99265	0.4
71.01384	0.7
75.40589	0.3
101.02450	0.4
106.85798	0.3
119.05054	0.5
149.04584	0.4
152.07211	0.7
153.07454	0.3
253.20265	0.3
266.30640	0.4
371.35544	0.3
405.22034	0.3
489.74814	0.4
501.86667	0.4
522.25519	1.5
582.24615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	30.5
61.98830	100.0
69.24285	17.7
71.01398	4.0
82.95384	3.1
87.06390	3.0
96.96008	4.1
98.22630	5.5
123.34830	2.7
137.85675	3.6
162.83922	17.9
164.83611	14.2
235.07851	3.2
316.34900	3.2
497.27145	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	582.331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	2.3
64.00669	1.5
64.08709	0.5
65.01448	100.0
69.01275	0.4
79.42649	0.5
81.06151	0.5
137.17723	0.6
225.34724	0.5
413.19736	0.5
497.62106	0.5
527.94073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	20.6
69.79397	5.7
69.79755	5.9
75.41335	2.6
78.95905	24.1
91.41193	2.4
129.65903	2.4
152.99536	3.6
181.90918	2.8
224.06891	7.1
227.37831	2.6
242.07500	2.6
283.26434	100.0
284.26810	3.9
425.63416	2.7
430.88754	2.5
508.34100	77.3
509.34229	4.0
544.36261	2.8
583.19452	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	583.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12286	0.9
61.98827	2.5
69.63082	2.5
69.63501	1.6
71.01410	1.2
78.95902	82.4
79.95727	1.1
80.27558	0.7
80.96510	3.8
82.96106	1.7
88.43359	0.9
96.96010	8.8
96.96936	4.3
98.95585	4.3
98.96440	1.0
99.92579	7.3
100.93357	13.1
109.25469	0.9
115.92088	22.8
116.92067	1.7
116.92856	24.7
120.97015	1.1
134.98512	0.8
142.94383	1.2
148.90961	1.0
150.98030	4.9
152.99597	29.6
155.95306	1.1
163.89702	2.5
164.90527	5.3
171.00624	5.3
172.95459	7.4
178.88437	7.5
179.89215	29.3
180.90010	19.4
181.90788	6.2
196.89481	33.8
205.90804	9.4
206.91641	4.4
218.91652	1.1
234.91048	1.6
235.91797	10.0
236.92592	21.2
247.66313	0.9
252.92142	3.0
255.23270	9.2
270.93158	1.6
278.93707	2.8
279.23346	1.2
309.95291	1.5
355.15942	1.2
409.23523	1.2
435.12161	1.1
439.38181	0.9
474.14609	1.0
475.15573	7.8
483.27228	2.1
492.15915	7.8
535.17834	5.1
547.17841	6.0
582.30389	2.7
583.19873	100.0
583.29657	8.8
584.19867	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	583.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	1.1
62.57830	0.6
63.33572	0.8
69.41195	0.6
69.41487	3.5
71.97193	0.6
74.30635	0.7
78.95942	0.9
80.03976	0.7
85.04523	0.6
93.03465	5.1
98.22657	0.9
108.02171	1.3
121.02964	12.8
122.03739	17.3
123.00881	1.2
123.04504	0.7
124.01675	0.9
132.02182	1.2
133.02940	1.9
134.03706	0.7
135.04532	6.6
136.01653	10.8
137.02438	1.8
139.03952	0.6
147.04509	1.6
149.02446	29.4
149.06062	0.7
150.03224	97.9
151.00394	3.6
151.04013	14.9
152.01103	1.8
153.05556	1.0
160.05301	1.2
161.06058	1.6
162.03214	0.6
163.04016	2.9
164.04776	5.6
165.05566	100.0
166.02711	7.9
166.05920	1.1
166.25108	0.7
167.03462	2.7
172.05284	1.5
175.04022	5.0
177.01956	1.1
180.04314	6.4
181.05060	13.1
189.05603	3.9
190.06316	4.6
192.03970	0.7
195.06627	49.5
196.07019	0.8
203.03482	0.9
205.05142	1.0
205.08638	2.1
221.08141	2.0
266.05750	1.2
282.05334	1.4
297.07581	0.9
309.07648	0.7
315.08615	1.3
324.09775	0.7
329.10291	3.7
341.10229	0.9
342.10916	1.7
356.12628	2.3
357.09637	2.6
357.13348	11.1
372.12057	1.9
373.12646	2.0
386.13513	0.8
387.14462	28.0
387.19446	1.7
388.14609	1.0
505.18643	6.1
517.18402	1.5
535.19739	47.3
536.20331	1.6
553.20819	1.4
583.21698	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	583.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25636	0.6
59.01377	3.2
70.82565	0.9
71.01385	1.0
89.02444	1.5
93.03481	1.3
101.02408	0.8
102.29893	0.7
106.04269	1.0
108.58521	0.7
117.03447	0.9
118.04751	0.8
132.05830	3.1
133.02945	6.1
134.03752	21.6
137.09656	0.9
153.10794	0.9
154.74936	0.7
160.05325	5.3
160.84210	2.9
217.15987	1.0
227.14397	1.2
228.22028	0.7
243.13918	16.8
261.14932	23.0
261.34323	0.8
262.15366	1.0
271.13376	16.4
289.14456	100.0
290.14777	2.8
331.15546	0.8
371.41135	0.8
583.23920	39.2
584.24469	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	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	88.9
68.96632	2.1
70.73764	2.3
71.01392	16.8
73.02943	10.2
83.01372	2.6
85.02953	6.4
89.02428	6.2
101.02442	15.7
113.02442	7.6
116.97168	2.2
119.03516	3.8
133.09421	1.8
140.85558	2.0
161.04530	2.0
327.09930	2.1
335.22345	6.3
438.28052	2.3
453.28540	2.2
479.26389	5.5
489.32260	2.5
497.27390	7.3
539.28589	100.0
540.28857	3.9
593.88300	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	583.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.4
61.09421	1.5
61.98804	1.5
63.54554	1.4
69.32825	1.6
70.46774	2.7
71.01396	1.9
73.02951	11.7
78.95899	2.1
83.01405	2.6
101.02460	4.3
101.03214	1.2
186.46762	1.4
212.80806	1.5
233.34662	2.0
297.29840	1.5
335.22278	100.0
336.22559	2.9
349.23831	3.9
377.23373	2.5
539.28473	1.9
613.50842	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98830	64.0
67.37706	3.0
69.22157	19.5
71.01379	28.3
73.02937	10.8
79.87143	2.7
82.95431	6.2
83.01377	3.9
84.95106	4.5
85.00423	9.4
85.02938	6.8
89.02453	10.8
96.96008	25.8
100.85791	3.3
101.02442	12.9
108.33351	3.0
113.02456	9.1
119.03510	5.1
150.03207	11.2
165.05569	13.4
181.54207	3.3
190.44424	3.2
193.91724	3.5
195.06598	6.6
335.22162	13.1
453.28442	6.8
479.26431	5.8
497.27661	5.7
500.04044	3.4
523.29419	5.6
524.25092	5.7
539.28619	91.6
540.28864	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	583.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33420	7.0
59.01384	100.0
61.98830	20.7
63.35439	8.5
69.16428	45.3
70.21402	7.1
71.01375	14.2
73.02962	13.5
77.20226	7.8
85.02987	6.9
88.82120	7.2
89.02462	7.8
96.96022	10.6
98.21741	12.0
101.02443	17.1
113.02390	9.7
150.03236	28.2
165.05527	40.4
195.06659	19.4
287.56778	7.9
299.86273	7.4
304.49557	8.8
387.14432	13.6
539.28717	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85001	0.4
59.01379	100.0
60.00579	0.4
61.98834	0.7
65.12450	0.3
70.98690	0.4
71.01384	0.7
84.95129	2.0
85.00427	2.5
86.30550	0.3
91.25571	0.4
101.02449	0.5
113.02497	0.3
115.43185	0.3
219.17580	1.0
261.22217	0.6
273.22430	0.4
297.22781	0.4
335.22263	6.5
335.25891	0.5
442.31662	0.4
463.27405	0.4
523.29163	2.8
539.28986	0.3
583.31317	2.9
611.59216	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08605	1.2
58.78096	1.2
59.01382	100.0
61.98830	17.5
71.01387	4.3
73.02938	3.6
83.01392	1.5
84.95109	2.2
85.00442	3.6
85.02973	1.6
86.65712	1.2
96.96008	16.4
101.02431	3.6
113.02438	2.5
116.92851	2.6
129.92107	1.2
135.75014	1.4
161.04646	1.5
169.70782	1.3
282.00922	1.3
299.93985	1.3
302.44540	1.5
335.22339	7.4
463.27008	2.1
481.27725	3.2
493.28021	4.7
523.29132	5.0
539.28729	4.2
540.29083	1.5
583.31506	2.4
603.08325	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30869	0.3
59.01367	0.6
60.01707	0.5
61.98830	100.0
74.12469	0.3
74.83364	0.3
78.95906	0.7
81.79061	0.3
84.57587	0.3
88.98805	0.3
113.76902	0.3
152.99599	0.8
179.51099	0.3
281.24878	3.3
282.25122	1.8
283.25513	1.1
284.25845	0.6
294.48010	0.3
358.28104	0.4
370.29233	0.3
506.32532	0.7
509.33508	1.1
583.34125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01710	0.5
60.12102	0.2
61.98846	0.6
69.64529	0.9
71.01379	0.5
77.61541	0.3
84.95141	1.0
85.00443	1.0
88.94836	0.2
93.00452	0.3
101.02433	0.5
113.02455	0.3
118.96964	0.3
119.93126	0.2
128.03566	0.4
192.04459	0.3
210.43152	0.2
219.17450	1.3
222.59544	0.3
273.22162	0.3
291.23230	0.4
335.22308	1.8
539.28906	0.3
584.30585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01722	0.8
60.90497	0.8
61.98853	0.9
65.62982	0.8
71.01396	0.8
71.43910	1.1
96.96021	0.8
100.81975	0.7
103.10688	0.9
146.08301	1.0
164.07767	0.8
166.70387	0.7
253.92735	1.0
301.69165	0.8
319.22589	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	584.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99578	0.3
57.03458	0.3
59.01397	0.6
61.98829	100.0
65.33595	0.3
69.43387	1.3
71.01377	0.4
87.00912	0.3
88.98853	0.4
96.95999	0.5
103.06666	0.3
112.98783	0.3
116.92062	0.3
119.51261	0.3
125.02473	1.1
128.03564	0.3
135.04533	0.7
149.00926	0.5
151.04079	0.3
158.15074	0.3
161.02449	0.4
179.03516	0.4
222.73369	0.3
359.13586	0.5
397.36230	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84255	0.1
53.44390	0.1
59.01373	0.4
61.98829	100.0
69.67063	0.4
71.01384	0.1
71.15664	0.1
80.91684	0.7
82.95411	2.5
84.44511	0.1
93.60714	0.1
96.96042	0.4
98.22591	0.2
127.78774	0.1
128.79309	0.1
187.76511	0.1
193.05173	0.2
254.62685	0.1
547.45972	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	584.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	3.7
59.94524	1.1
65.01460	6.0
69.00945	16.8
70.01277	1.3
70.96878	1.2
71.01385	4.4
73.80038	1.0
89.02465	2.6
98.22061	1.1
101.02477	3.3
113.02451	1.6
118.00691	1.1
162.42093	1.2
235.08144	2.2
253.09320	16.2
277.21725	100.0
278.22098	4.1
313.24686	1.3
432.13449	1.2
516.59076	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.3289
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00539	0.3
59.01376	2.5
61.98829	100.0
65.52348	0.2
69.87643	0.5
71.01372	0.5
73.02934	0.3
73.25620	0.2
82.95428	0.3
85.02974	0.4
89.88904	0.2
93.20911	0.2
95.78300	0.2
98.22575	0.3
98.25587	0.2
101.02480	0.4
107.52129	0.2
126.94573	0.3
128.03526	0.3
148.00475	0.2
187.23592	0.2
210.20340	0.2
212.19023	0.2
224.08882	0.2
264.70239	0.2
331.96524	0.2
341.93790	0.2
370.67828	0.2
473.50314	0.2
490.05701	0.2
524.34973	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	584.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.40078	0.3
61.98837	0.9
63.99263	0.4
64.00659	1.1
65.01450	100.0
67.24769	0.4
76.36958	0.3
147.68353	0.4
163.45944	0.3
163.55057	0.4
221.44714	0.4
242.21381	0.3
274.48309	0.4
279.23367	0.5
432.34103	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10772	0.6
54.09130	0.6
59.01382	7.4
61.80292	0.7
61.98830	1.5
65.06812	0.7
67.38023	0.6
70.85783	1.0
70.86123	1.0
71.01385	6.0
73.02953	2.1
83.01391	1.9
85.02946	3.7
89.02442	1.5
101.02457	7.0
113.02441	2.1
119.03469	0.7
135.04562	0.8
225.14880	1.0
315.04910	1.0
358.09338	0.8
387.20224	100.0
388.20364	3.7
429.94669	0.7
443.26740	0.7
541.26282	1.0
585.23193	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	585.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
60.01704	0.5
61.98838	1.3
68.14032	0.4
69.36690	1.7
70.81179	0.3
71.01372	0.7
85.02956	0.4
87.00835	0.5
88.60481	0.4
89.02448	0.5
94.73807	0.4
101.02438	0.8
102.48307	0.5
113.02467	0.5
168.12628	0.5
224.72234	0.4
226.85271	0.4
403.96329	0.4
457.61652	0.5
585.32849	1.4
587.19299	0.4
592.15662	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57431	0.2
56.14320	0.2
59.01394	1.1
61.98830	100.0
68.91814	0.2
83.43158	0.2
85.00442	0.3
87.00857	0.3
102.05638	0.3
106.68204	0.2
125.87388	0.2
127.87051	0.3
128.03583	0.4
146.04575	0.3
171.10126	0.2
229.76512	0.2
288.38449	0.2
322.89938	0.2
386.54437	0.2
512.11548	0.3
550.08582	0.3
574.15363	0.2
586.35449	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	6.4
61.45119	0.6
70.66096	1.0
72.22494	0.5
72.99307	11.8
75.00838	0.5
87.00874	21.9
103.00362	4.9
105.01931	0.9
108.02149	0.9
109.02932	0.8
127.43010	0.6
130.99879	1.6
134.34853	0.6
146.03763	2.2
147.04530	2.4
149.00917	100.0
159.04517	2.3
176.03546	0.7
206.77913	0.7
253.05089	1.0
261.12454	0.6
266.50363	0.6
267.06674	4.9
268.07397	4.7
274.13248	2.1
275.14011	0.8
283.09805	2.4
287.14044	1.9
309.07602	1.0
381.14682	0.9
396.16684	1.0
411.19315	5.7
437.17047	1.7
455.18222	30.4
456.18845	1.0
458.79880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27021	0.7
61.98821	0.9
65.57021	1.0
69.54858	3.6
87.37555	0.9
96.96017	11.7
99.92603	1.7
132.86781	1.3
134.86566	23.0
134.89479	100.0
135.89452	2.4
179.80411	0.9
260.87585	0.8
265.99326	0.8
374.82840	0.9
454.43982	0.9
489.15009	1.3
600.63165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.01802	0.7
69.12825	3.5
69.13229	1.8
71.01340	0.9
78.35876	0.7
82.50205	0.8
87.41099	0.7
96.96014	2.8
99.92592	2.0
134.86580	17.9
134.89481	100.0
135.89432	1.7
171.12723	0.8
174.15585	0.9
241.33418	1.0
342.96637	0.9
502.97061	0.9
515.73505	0.9
583.31250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98840	2.8
69.42018	8.1
71.01379	27.2
73.02945	18.6
83.01382	4.1
84.95087	2.1
85.02953	4.1
87.00843	3.8
89.02439	27.0
99.92627	2.6
101.02442	16.8
109.94769	2.1
113.02463	17.9
116.92848	9.4
119.03490	11.7
131.03455	3.1
148.29153	2.2
149.04553	2.7
161.04558	8.3
179.05656	13.1
300.39130	2.4
389.25436	9.4
398.92123	2.3
483.29483	9.1
501.30637	9.3
543.31946	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	588.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	22.8
61.98814	33.0
78.93735	24.0
78.95895	56.2
91.04013	82.3
116.75266	21.9
116.92824	33.0
129.82674	23.8
231.01740	25.5
255.23431	28.3
397.33273	41.1
453.35803	100.0
453.90704	25.9
471.36700	96.9
550.11078	52.8
552.11322	55.4
586.08221	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19226	15.6
51.76947	13.3
59.01373	20.6
70.96715	27.6
83.16334	17.9
91.04012	78.6
103.25129	16.0
104.13541	14.1
108.36349	15.3
123.69682	16.1
151.39615	13.9
271.09930	16.2
331.32172	17.2
335.33273	37.3
364.46310	15.9
379.32150	19.4
390.37143	15.7
397.33316	51.8
453.35660	61.8
471.36929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.263
Annotation	7'-[1-(acetyloxy)ethyl]-7'-deoxo-2'-deoxy-3',4'-dihydroxyverrucarin A
Peak:m/z	Relative Intensity
55.81404	10.9
59.01379	13.9
60.68136	11.1
69.65447	35.0
71.01377	18.9
73.70914	8.9
78.95947	9.4
85.02962	23.7
113.02483	20.7
118.34130	10.3
131.49721	10.7
279.13275	13.7
301.21710	56.4
305.21030	11.6
341.20935	35.3
383.22150	15.0
393.33002	10.0
463.27069	36.2
485.25092	36.8
503.26328	100.0
531.12933	11.0
544.67615	10.3
545.27307	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
70.45926	1.1
72.99289	2.5
75.00872	100.0
85.81583	0.5
113.44554	0.5
190.54819	0.5
252.58153	0.6
278.30423	0.6
303.20889	0.5
339.73380	0.5
429.50497	0.6
464.23282	0.6
556.53070	0.6
599.73798	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70877	13.2
53.70551	10.9
54.44080	12.5
59.01368	32.6
59.03638	12.7
61.98822	33.6
71.01393	16.4
96.32031	12.8
137.57111	14.0
171.10393	13.8
209.39862	16.3
222.39613	15.2
235.16982	46.0
253.09290	49.1
275.20230	86.7
293.21194	100.0
357.72537	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	589.323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40560	0.6
59.01381	23.0
61.98797	0.9
71.01385	3.8
71.05018	1.4
73.02939	1.3
73.08348	0.6
85.02952	0.9
87.00871	0.9
89.02450	4.2
98.57478	0.6
101.02454	4.4
113.02466	1.9
119.03469	1.4
161.04593	2.6
177.16257	0.7
192.61372	0.7
209.15517	1.0
223.17023	1.6
231.21129	1.5
235.08293	1.4
235.17015	18.8
253.09288	25.6
275.20151	22.2
276.20706	0.7
293.21219	100.0
294.21576	3.9
402.32281	0.7
435.61301	0.7
596.85236	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.2
59.09938	0.4
59.45545	0.4
61.98827	1.6
64.71436	0.4
69.14745	2.2
69.15157	0.9
70.63526	0.3
71.01383	1.1
72.01172	0.4
76.67424	0.4
79.50390	0.4
89.02473	0.6
93.03452	2.6
98.22608	0.9
109.04523	0.4
113.02460	0.4
125.02441	0.6
135.04527	0.6
147.04510	2.2
159.04541	2.0
160.04066	2.1
161.02448	0.8
171.58217	0.4
174.05611	0.7
178.05150	0.6
209.06117	0.5
211.07585	0.5
221.06078	2.2
223.07635	1.4
237.05661	1.0
238.06348	20.9
239.07144	3.5
250.06316	1.6
251.07120	21.5
252.07066	1.1
253.08737	8.3
268.07010	0.4
268.09750	1.8
279.02762	0.5
281.06909	1.6
296.09277	100.0
297.09680	3.9
331.27481	0.5
521.98816	0.4
527.24756	1.2
590.18774	46.6
591.19769	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76234	0.5
69.32339	2.4
71.01373	0.6
78.03735	0.5
90.15824	0.4
93.03471	3.1
98.22675	0.9
104.56575	0.4
109.02937	0.6
117.03493	1.0
118.02998	2.1
119.05070	1.2
144.04584	0.7
145.02950	1.3
146.02443	0.6
147.03439	0.7
147.04533	2.7
148.31949	0.5
160.04059	2.2
167.72086	0.5
172.04039	1.3
173.04826	2.2
174.05594	15.1
174.07040	0.9
181.06523	0.5
211.07626	0.6
221.06044	3.9
224.07251	0.8
225.05734	0.6
237.05594	1.1
238.06430	18.5
238.08607	1.0
239.07146	67.4
240.07751	5.4
249.07733	0.5
251.05698	0.5
252.06664	3.3
265.07376	2.1
266.08203	53.8
267.08981	53.1
268.09457	3.1
295.54617	0.5
309.03552	0.6
561.18494	100.0
562.18842	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	591.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38863	8.9
89.74344	8.9
122.99863	10.8
132.50690	10.5
187.73447	10.3
189.10095	10.2
399.51349	10.3
500.22009	14.1
515.24664	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	591.2615
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
67.68074	1.1
72.96745	1.0
78.02364	1.0
81.86830	1.1
87.52423	1.0
209.82715	1.1
212.93082	1.0
265.05734	1.4
304.75345	1.2
377.83508	1.2
443.22510	3.6
445.20053	1.7
458.21045	1.2
459.21988	2.5
471.26163	2.3
473.23306	2.1
485.20016	2.0
487.25470	5.4
497.23370	4.6
499.21304	4.0
500.22067	15.8
514.23975	1.8
515.24524	100.0
516.25134	6.3
518.23376	1.4
519.23370	1.9
547.26617	1.5
559.23499	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	591.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.9
61.30971	3.4
61.77874	3.9
61.98824	5.9
77.24892	4.0
78.95901	26.9
83.01401	7.0
123.08076	4.2
125.09719	10.5
139.11266	5.5
145.32399	3.8
152.99573	12.0
163.11259	4.9
165.12813	10.0
168.04305	6.8
171.10301	5.8
171.25728	3.5
209.11798	37.2
223.13232	4.9
242.07938	5.2
247.20595	6.1
291.19559	34.2
309.20724	43.5
323.22287	21.9
408.05356	4.1
518.28943	9.3
534.28375	100.0
535.28400	6.6
548.29907	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
65.74166	0.3
69.00931	1.1
69.94616	1.0
72.99293	2.4
75.00871	100.0
85.01042	0.4
87.20218	0.4
137.16141	0.3
141.65523	0.4
144.63651	0.3
222.70793	0.4
247.42599	0.3
259.94385	0.3
261.84995	0.4
279.23151	0.7
282.25278	0.5
317.32590	0.3
612.33179	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	100.0
61.98844	33.4
64.65163	7.7
71.01379	59.9
82.95419	8.1
89.02448	81.4
101.02438	23.3
101.21416	6.8
113.02438	28.6
119.03489	22.9
143.03471	9.9
161.04530	12.5
171.43542	6.8
179.05655	32.8
234.89580	7.0
242.94765	8.2
245.79138	7.5
324.09613	6.9
339.12357	7.2
369.13391	20.0
385.61774	8.0
445.74533	8.3
519.18549	7.3
531.18445	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	592.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46558	0.6
60.35501	0.6
61.98828	100.0
70.92322	0.6
71.01395	1.2
79.95737	1.2
80.96512	2.8
94.16599	0.5
99.25588	0.6
100.22526	0.7
113.35836	0.5
122.97538	0.7
145.71803	0.6
225.00748	0.6
330.56125	0.6
391.16467	0.6
518.28357	0.7
593.26239	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	592.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.4
60.94437	0.3
61.98830	100.0
69.69706	0.7
69.70077	1.1
75.75285	0.3
87.57691	0.4
98.22572	0.5
121.02956	10.6
209.04561	5.6
253.09027	0.3
296.23190	0.9
395.28384	0.6
549.10797	0.5
592.32861	0.6
593.13306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57177	1.7
59.01381	15.0
61.98804	2.3
78.95914	11.6
86.62981	1.9
96.31367	1.7
121.02956	15.5
122.31816	1.6
122.34655	1.6
125.09729	3.0
127.50214	1.8
152.99579	2.6
168.04231	1.9
170.06509	1.7
185.11844	7.4
197.11784	3.5
209.04532	8.9
224.06749	2.2
242.07990	2.8
293.21240	100.0
307.22653	9.8
330.13562	1.8
340.17328	1.9
376.33405	2.0
518.28931	54.5
532.30426	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	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64537	1.5
56.20954	1.4
57.03438	3.8
59.01381	19.9
61.82759	1.6
61.98827	12.9
62.84166	1.8
64.85863	1.4
69.13516	9.0
74.66753	1.3
78.95905	17.6
109.06615	1.5
113.09711	14.0
116.58807	1.6
120.83980	1.5
152.99570	4.5
160.33298	1.7
167.10748	1.6
168.04300	3.0
177.12814	3.0
179.10745	2.3
195.13904	2.3
224.06914	4.7
235.16933	3.1
242.08025	4.0
249.22223	2.6
260.13754	1.4
275.20160	4.8
293.21228	100.0
294.21487	2.6
307.22729	13.8
415.45502	1.9
518.21039	3.4
518.28882	66.4
532.30652	9.9
600.36707	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	592.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39837	1.3
53.72892	1.2
59.01380	26.3
61.98829	100.0
65.81822	1.2
70.68358	2.8
71.01395	2.5
71.05007	2.4
74.91269	1.2
78.95904	8.7
79.95722	1.5
80.96502	1.8
99.26335	1.1
112.42091	1.2
125.00108	1.6
172.30753	1.5
184.58698	1.7
223.17073	4.8
225.00920	1.8
231.21280	1.4
232.13487	1.5
235.17033	16.5
242.07970	3.4
275.20160	15.4
284.16562	5.3
293.21198	64.0
294.21387	2.8
302.17554	12.1
363.46622	1.6
462.72586	1.4
518.28857	57.5
519.29053	1.8
538.26947	2.4
556.27515	5.3
593.26447	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	592.326
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45089	1.2
59.01382	25.6
59.99335	1.0
63.21307	1.0
69.13559	1.8
69.13969	4.8
71.05001	1.6
78.95919	13.4
82.00214	1.1
98.22655	1.7
112.55135	1.0
119.66005	1.1
126.06297	1.1
152.99590	4.3
168.04250	1.7
177.59306	1.2
224.06924	1.9
231.21204	2.9
235.17020	38.7
242.07930	3.8
275.20145	45.5
276.20355	1.2
293.21219	55.6
367.75766	1.1
518.28888	100.0
519.29059	3.3
545.44885	1.2
564.68970	1.1
571.80774	1.1
584.02057	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1301
Annotation	Apigenin 7-(6''-E-Caffeoylglucoside)
Peak:m/z	Relative Intensity
51.88232	1.4
59.01384	2.5
61.98827	2.8
71.09521	2.2
71.81569	1.3
77.03990	2.0
117.03465	5.9
119.20412	1.6
121.02927	2.2
132.80469	1.3
133.02937	2.9
135.04510	17.5
147.01787	1.3
161.02419	10.6
163.00278	1.2
163.04120	2.5
165.01917	2.7
179.03473	7.6
183.04482	1.3
205.02193	1.4
209.06038	1.8
239.07298	2.0
253.04851	1.8
269.04510	4.0
281.04028	7.3
281.06952	4.2
282.05246	5.1
283.06131	48.5
293.04477	3.9
295.06079	7.9
309.04053	1.5
311.05615	100.0
314.04349	1.8
321.03775	1.5
323.05566	12.8
327.05078	3.1
341.06604	43.4
353.06699	2.7
357.05844	1.9
394.64041	1.4
395.07669	2.8
413.08670	5.5
431.09824	62.5
432.09933	1.8
590.42957	1.5
593.12872	22.9
593.32666	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01362	0.3
69.02689	0.2
69.54382	0.3
69.54727	0.8
91.01920	0.2
115.16973	0.2
116.68034	0.2
120.02177	3.3
121.02965	100.0
122.03300	1.6
139.98450	0.2
165.01939	4.1
180.05817	0.6
181.06599	2.9
197.06094	2.1
197.62891	0.2
207.04503	0.8
209.04555	59.9
210.04854	0.7
223.03978	0.2
225.05524	2.0
257.09814	0.5
285.09055	0.4
301.08658	0.3
302.74814	0.2
313.07190	1.8
357.06122	1.1
383.07568	1.1
401.08667	0.4
417.09641	0.7
479.95807	0.2
482.08533	0.3
505.11411	2.8
549.10413	7.4
579.94293	0.3
593.12964	13.7
594.13068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21473	2.4
59.01360	6.9
60.03039	2.2
92.39109	2.1
99.17757	2.5
133.02931	9.9
134.03725	3.5
161.64445	2.5
163.00266	3.6
269.04712	3.1
282.05347	3.8
284.03165	6.7
285.04010	12.4
297.04044	22.7
298.04800	81.0
299.05377	6.3
309.03998	25.5
311.05579	4.1
324.03091	2.6
326.04211	3.3
327.05109	22.9
330.03653	3.8
338.04431	5.3
339.05084	9.5
357.06058	9.2
369.06485	2.9
429.08475	11.9
431.09610	3.2
473.10913	32.6
586.49103	2.5
593.15118	100.0
605.95459	2.4
607.64203	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	593.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.3
65.24081	1.3
71.01376	1.5
78.49221	1.0
78.84654	0.9
86.69621	1.2
89.02435	2.0
96.96009	3.4
113.02401	1.5
130.81137	1.1
131.07150	1.4
134.03731	2.8
138.87421	1.0
149.72711	1.0
163.00369	1.7
178.96330	2.3
179.05576	1.4
180.06456	1.0
255.03224	1.4
260.33304	1.0
269.04471	2.1
284.03391	1.9
285.03818	1.0
296.03299	1.8
297.04041	18.7
298.04819	100.0
299.05402	4.9
306.97806	1.4
309.03909	5.8
310.04797	1.3
311.05597	3.1
313.07202	9.2
325.03528	1.5
330.03503	1.3
338.04095	1.2
341.06647	94.4
342.06754	1.9
344.05359	1.2
353.06760	4.5
371.07675	23.3
383.07419	1.1
425.08801	2.3
593.15118	67.0
594.15631	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
61.98824	1.4
71.01378	3.0
89.02452	2.7
101.02454	1.2
119.05029	9.3
127.87035	1.0
129.58444	0.8
133.02971	2.1
134.03737	2.9
136.01590	0.8
147.04497	0.8
148.90933	1.0
159.26587	0.8
160.84190	5.4
161.02449	0.9
162.83913	7.1
163.00362	2.4
163.04024	8.2
163.06268	0.8
165.01921	1.2
165.05548	1.5
201.01962	1.1
207.06616	1.1
253.05162	0.8
255.02878	0.9
269.04639	3.8
270.05450	1.3
284.03275	2.9
285.04004	2.3
296.03238	1.7
297.04016	15.9
298.04825	94.9
299.05463	5.4
308.03259	1.1
309.04147	5.2
310.04904	2.1
311.05606	2.5
312.06244	1.4
313.07166	7.0
323.05524	1.3
325.03391	2.6
325.07056	1.5
326.04184	1.3
330.03937	1.4
337.03506	1.3
341.06650	100.0
342.06857	1.8
353.06750	4.9
356.05414	0.7
371.03192	1.7
371.07712	26.2
372.08176	0.9
383.07697	2.3
425.08817	3.2
430.67300	0.9
431.13516	2.4
443.09830	1.0
469.26575	0.9
519.07202	0.8
593.15118	71.8
594.15582	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	593.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75507	0.7
59.01379	7.2
60.45377	0.7
68.89378	0.6
69.18882	4.3
71.01377	3.2
72.91452	0.7
89.02449	2.4
98.22679	1.3
101.02459	1.2
113.02423	0.8
119.03467	0.9
123.25356	0.9
149.61406	0.7
150.23877	0.7
158.03798	1.2
173.02431	2.3
186.03230	2.1
189.05576	0.8
201.05592	3.3
225.05630	2.4
235.03751	0.8
237.05562	1.0
240.07892	1.6
253.05077	12.7
257.23724	0.7
264.04269	0.9
265.05099	2.8
267.06650	2.3
268.07419	8.2
275.03345	0.7
279.06647	1.3
280.03751	1.3
280.07074	0.8
281.04498	7.1
283.09711	6.2
290.06021	1.1
291.02991	0.8
291.06534	0.7
292.03967	1.4
293.04547	4.7
295.06085	1.6
296.06927	4.6
307.06146	3.9
308.03552	1.4
308.06717	4.1
309.04163	9.9
309.07520	1.2
310.08450	0.8
311.09204	6.9
322.08420	1.7
323.05542	3.3
323.09195	6.6
324.06436	11.6
324.10052	1.3
338.07953	2.9
339.08719	77.2
340.09070	2.6
353.10287	4.1
354.11066	26.6
369.13498	14.7
383.07263	0.9
398.10028	1.1
413.12408	100.0
414.12796	2.7
536.54724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.9
70.96422	1.2
78.95902	69.0
96.96973	12.1
115.86092	0.8
119.87653	0.9
150.97993	1.4
152.99586	72.0
171.00633	2.0
223.00037	2.2
241.01190	26.5
259.02274	1.4
277.21719	41.4
315.04886	7.6
408.77719	0.9
413.21033	4.7
431.22079	7.0
583.33899	0.9
593.27344	100.0
594.27631	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51937	0.9
59.01373	1.4
61.98806	1.7
69.28336	5.0
78.95904	71.1
96.96964	13.0
126.92555	1.1
129.40750	0.9
139.02400	1.0
152.99591	96.7
171.00653	2.7
223.00150	10.6
241.01192	25.0
259.02213	1.4
277.21722	50.3
278.22101	2.0
292.65674	1.1
315.04886	13.2
364.02142	1.1
404.67044	1.1
593.27325	100.0
594.27606	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68475	0.7
59.01366	2.5
60.21299	1.0
64.67319	0.9
69.88376	1.9
69.88725	1.3
70.97357	0.8
75.00840	1.1
75.51267	0.8
78.95901	71.6
96.96957	12.0
98.21886	1.5
101.10544	0.9
125.61338	0.9
150.98029	0.8
152.99585	92.5
171.00723	3.9
175.93744	0.8
223.00139	9.6
240.02271	1.0
241.01175	27.2
259.02142	1.3
270.44675	1.0
277.21722	48.4
278.21979	1.5
315.04886	15.2
333.05811	1.2
431.21936	1.2
534.43121	0.8
593.27313	100.0
594.27496	3.5
607.02881	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29404	1.0
58.43427	1.1
59.01370	1.6
69.42716	1.8
69.43124	3.5
71.20444	1.0
78.95903	75.2
96.96964	16.2
103.18055	1.0
103.98921	1.0
152.99590	79.8
171.00569	1.5
210.10979	1.1
211.23067	1.1
223.00061	2.2
241.01189	30.3
258.95151	1.0
277.21735	45.1
315.04910	6.7
401.65509	1.0
413.21066	6.2
431.21997	6.0
439.99173	1.2
455.78180	1.1
473.02649	1.2
473.09372	1.3
593.27307	100.0
594.27515	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	593.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11064	1.6
57.03465	2.1
61.98813	7.1
63.44469	2.0
78.95899	14.8
123.09399	1.8
139.11253	3.9
152.99585	5.9
168.04321	3.2
171.10284	13.1
191.02655	2.1
193.12292	3.6
211.13385	3.3
226.68813	2.0
293.21277	12.8
311.22275	51.8
312.22348	2.6
465.22119	6.6
508.26620	2.5
519.30231	2.3
536.29926	100.0
537.30408	4.4
593.32153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98832	7.5
67.76949	0.6
70.66391	1.0
70.66726	1.2
79.95764	0.7
80.96536	2.2
171.01912	0.6
288.32928	0.6
388.95630	0.7
443.72757	0.8
593.26971	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	593.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92834	1.0
58.62986	0.8
59.01380	100.0
59.77789	0.9
60.01718	0.9
60.86324	0.8
83.48869	0.8
96.99307	2.6
97.44958	0.8
100.58704	0.8
119.14677	0.8
124.47565	0.7
129.63199	0.8
141.01706	70.8
148.59882	0.8
214.45480	0.8
306.40479	1.0
349.61746	0.9
451.32785	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	594.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44515	0.5
58.02994	0.7
59.01398	0.7
64.88815	0.6
71.08232	0.7
74.02481	0.7
79.67661	0.6
86.02503	0.6
92.62177	0.6
93.03471	3.1
99.05647	0.7
102.97791	0.6
112.98843	0.7
117.03471	0.6
118.02985	4.9
121.02952	1.8
123.04520	7.6
125.02429	1.9
128.03558	2.0
135.04507	4.7
137.02434	0.7
143.04652	3.9
143.68967	0.6
149.01051	0.5
149.02472	1.1
152.07175	1.0
160.00740	0.6
161.02525	1.1
162.05612	1.2
164.03534	2.7
178.05095	2.5
179.03470	0.7
180.06667	18.5
213.05614	3.6
225.05536	1.0
227.06995	0.8
228.04262	0.7
240.04422	0.6
241.05052	9.9
243.06552	5.2
254.08191	8.3
255.06525	3.6
272.08932	2.3
300.08759	100.0
301.09091	2.3
306.07645	9.9
594.18256	40.5
595.18469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84142	0.6
55.99704	0.7
59.01381	21.1
61.98832	2.1
62.84332	0.6
69.09863	2.6
69.10264	1.4
78.95901	9.2
98.21922	2.0
113.09766	1.8
152.99611	2.9
157.08693	2.8
168.04353	2.8
179.14388	1.4
186.93890	0.8
195.13902	18.5
224.06984	1.6
242.08110	3.5
277.21750	17.3
295.22772	100.0
296.23117	2.6
311.93469	0.7
520.30426	83.1
521.30725	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	595.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
68.31548	0.4
70.80828	0.8
71.01384	1.3
75.00828	0.4
85.02993	0.5
89.02451	1.1
89.64043	0.4
99.92583	10.7
101.02445	0.8
113.02483	0.5
116.92860	100.0
117.92897	1.8
121.02853	0.5
133.02832	0.4
148.04036	1.8
149.04387	1.2
151.00352	1.0
181.05067	1.1
298.10883	0.9
299.11151	1.2
300.11597	1.2
337.07098	1.3
350.37601	0.4
367.08173	0.6
372.99609	0.7
385.13028	1.2
415.13779	0.6
475.10538	0.5
595.21472	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61594	0.4
59.01380	3.5
61.98826	3.7
69.57420	1.7
71.01388	0.7
75.38061	0.4
78.82120	0.5
78.91010	0.4
85.02977	0.5
93.52485	0.4
101.02415	0.6
102.98617	1.2
116.92867	0.7
116.97237	0.5
120.99658	100.0
135.04497	1.1
149.02505	0.8
160.01857	0.5
163.04097	0.6
164.04842	1.0
169.04962	0.5
170.74577	0.5
171.10321	1.4
173.79240	0.4
175.03954	0.7
177.01897	0.7
177.46487	0.4
179.03453	0.6
192.04256	1.5
192.99663	4.7
193.01399	1.1
201.11324	0.9
207.06590	4.9
208.02008	4.4
208.03818	1.3
219.02797	0.5
223.04318	11.2
223.06216	1.8
239.45985	0.5
311.06433	0.5
392.36987	0.5
437.20078	0.6
475.47321	0.5
495.06262	0.6
623.13904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1668
Annotation	5,7,4'-Trihydroxyflavanone 7-O-galactosylglucoside
Peak:m/z	Relative Intensity
63.02388	1.3
65.00320	8.0
69.15738	1.9
69.16142	0.8
71.01409	0.6
80.91991	0.4
81.03446	0.5
83.01393	5.9
93.03466	4.2
95.01389	1.1
107.00706	0.9
107.01398	13.4
107.02132	0.7
109.02953	0.5
111.44756	0.5
112.98843	0.8
117.03436	0.7
119.05027	32.6
121.02958	0.9
123.00866	0.8
124.01660	0.5
125.02444	3.5
131.01385	0.7
133.02991	0.6
135.04533	1.1
137.02490	1.3
138.03265	0.4
139.00357	0.5
139.04073	0.5
143.05055	0.8
145.02916	3.9
149.02475	0.6
151.00371	68.5
152.00655	0.8
160.38765	0.5
161.02359	0.6
161.06094	1.5
163.04002	0.6
164.01198	0.8
165.01923	4.1
167.03555	0.5
169.01439	2.9
175.00360	6.6
177.01956	3.6
179.03519	1.0
185.06078	2.7
187.04070	2.8
189.01854	1.1
193.01421	2.9
218.05962	0.5
219.03075	0.6
224.06880	0.5
227.07178	3.9
229.05046	0.7
253.04941	0.5
269.04651	0.7
270.05240	0.6
271.06107	100.0
272.06516	2.5
285.07651	0.9
295.06107	7.5
302.23279	1.3
313.06070	4.5
325.07083	1.0
343.07962	0.5
358.10291	1.5
373.12955	3.1
383.45160	0.5
403.14102	1.4
418.12613	0.8
422.67502	0.5
433.11142	56.6
434.11655	1.6
595.20410	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	595.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64475	1.7
54.08678	1.4
56.55820	1.6
59.01382	49.6
61.98835	2.5
70.99512	2.3
71.01389	23.3
85.02964	4.7
89.02444	18.2
95.01409	2.1
101.02463	15.1
111.13358	1.7
113.02447	7.8
119.03526	8.4
123.00896	2.4
131.05135	2.5
138.03242	3.8
139.00389	2.4
145.87975	1.5
147.04427	2.6
151.00410	4.9
153.01923	5.1
158.03775	3.2
160.05324	5.5
166.02710	13.6
173.06064	4.9
174.03043	1.9
175.04034	10.3
175.07657	4.1
179.05536	1.8
181.05070	27.3
187.04077	1.7
190.06381	6.5
197.11975	2.8
202.02713	4.6
203.03514	9.6
205.08731	8.2
217.05103	5.7
218.05782	9.8
233.08218	15.4
253.05382	2.4
260.48029	1.8
296.06720	1.8
309.07596	1.9
311.05054	2.4
311.09128	2.0
323.05643	2.2
324.06421	2.5
325.06824	2.2
326.07080	2.8
337.07208	4.1
338.08072	2.1
339.08722	12.3
340.09225	7.9
341.09387	10.6
354.11066	3.4
355.07617	8.0
355.11792	2.9
367.08218	3.8
369.13422	4.4
370.10742	5.6
371.14069	2.1
385.12958	38.2
385.17795	2.0
397.13193	3.3
413.12610	6.4
414.12653	8.8
415.13318	29.0
595.20569	100.0
596.20911	4.8
604.62634	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	595.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.15423	9.7
71.01357	8.3
90.96578	8.0
95.01412	8.8
99.60774	7.1
101.30842	7.9
110.02812	7.3
117.44978	6.2
118.85146	7.6
123.00890	18.3
130.63049	7.6
139.00391	8.5
160.84192	8.5
169.21379	7.4
181.05255	8.5
203.03526	11.3
218.05734	7.4
262.63019	7.6
358.10614	15.5
373.12930	29.7
389.27344	8.9
433.15045	100.0
595.20367	75.1
596.06439	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	595.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	45.8
61.98827	1.2
65.71963	1.0
69.13155	5.9
71.01009	1.8
71.01382	21.4
73.24371	0.8
75.00876	7.4
83.01395	1.6
85.02944	5.9
87.00874	1.6
89.02447	17.5
89.02927	0.6
93.52225	0.9
93.60358	0.8
95.01385	2.7
99.92586	3.5
100.53335	0.8
101.02428	10.4
113.02456	6.8
116.92862	33.6
117.92876	1.0
119.03492	6.7
119.05051	2.4
123.00896	1.6
125.02440	1.3
131.03596	1.0
131.05072	1.7
135.04539	2.9
137.02475	1.1
138.03209	2.1
139.00381	2.9
139.03990	1.3
143.03511	1.1
147.04556	1.3
151.00388	8.5
153.01942	4.5
153.05632	1.6
158.03740	2.4
159.04509	2.2
160.05309	5.5
161.02296	1.0
165.02126	1.0
166.02711	12.8
173.06081	3.7
174.03191	2.0
175.04013	7.8
175.07645	5.0
179.03479	1.4
179.05602	0.9
181.05070	28.9
187.04019	1.5
188.04738	2.7
189.01883	1.3
189.05653	2.0
190.06383	7.2
191.03461	1.1
201.05579	1.3
202.02716	2.7
203.03513	9.5
203.07114	1.6
204.04230	1.8
205.08675	7.8
217.05043	6.6
218.05841	12.1
219.06610	2.0
222.55952	0.9
232.07344	1.6
233.08160	16.2
236.07257	1.5
237.05630	1.9
239.07103	1.3
256.14706	1.0
264.06711	2.4
265.07440	3.4
271.06088	3.2
280.03961	0.9
295.06158	1.2
297.03821	1.2
324.06451	1.9
325.07175	1.2
338.08054	1.5
339.08737	3.4
350.22046	1.1
353.10416	0.9
355.08234	7.5
367.07590	0.9
370.10449	6.0
385.12946	39.3
397.12936	2.8
398.86264	0.9
415.13931	15.6
418.89734	1.2
555.94867	1.0
559.16919	3.2
565.19336	1.2
595.20398	100.0
596.20886	5.4
621.08075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2138
Annotation	Kadsuphilol C
Peak:m/z	Relative Intensity
50.60669	0.9
52.61355	0.9
59.01382	42.2
61.98817	1.6
68.99088	0.9
69.08328	1.8
69.08730	5.1
71.01386	19.9
72.99291	1.8
73.02952	1.0
78.95912	1.1
83.01344	2.3
85.02937	3.8
89.02448	15.9
95.01385	2.9
96.90319	1.0
98.21872	1.7
101.02457	11.0
113.02475	7.5
119.03505	4.4
137.02435	1.2
138.03226	1.8
139.00375	1.9
151.00368	4.8
153.01976	2.2
166.02719	12.3
175.03987	2.5
176.94019	1.0
179.03435	1.0
180.04251	1.0
181.05058	13.8
190.06271	1.0
195.34036	1.2
197.11742	1.5
203.03548	6.8
205.08804	1.4
207.06613	2.3
208.03772	1.5
218.05801	7.8
220.49921	0.9
223.06087	2.6
223.08511	0.9
233.08150	11.6
235.08722	1.1
235.80904	0.9
247.08768	2.0
249.06831	1.3
253.09567	1.0
263.08255	4.0
265.09866	1.1
281.05341	1.3
281.08994	1.0
291.07806	10.1
309.08875	2.3
319.07159	3.4
323.10513	1.5
339.08963	2.5
351.09982	1.3
355.08310	3.4
370.10349	1.7
383.12204	1.2
385.12967	9.9
389.92154	1.0
397.13037	2.8
415.14154	13.6
427.15204	1.6
471.14035	5.4
499.13602	5.7
503.16931	2.8
531.16223	9.0
563.18872	18.4
595.20947	100.0
596.21210	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	595.253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16364	1.7
56.40688	2.0
59.01378	100.0
61.03579	2.0
61.98825	6.5
65.28909	1.8
71.00195	2.0
71.01374	7.2
83.05014	2.0
85.02950	2.1
89.02450	6.6
96.95986	4.7
101.02426	6.9
107.05060	2.5
113.02428	4.4
119.03391	2.7
153.09204	2.3
161.04541	3.8
179.05638	2.8
190.70398	1.9
197.11827	12.9
209.11826	34.9
253.09267	17.2
261.18634	2.7
277.17966	3.2
287.16449	5.1
305.17578	53.2
323.18692	13.7
326.20435	1.9
347.18100	2.6
392.49319	2.3
461.20227	8.6
472.19388	2.3
490.20578	5.2
493.28183	11.2
495.87949	2.0
541.26495	87.3
542.26605	4.7
559.27618	35.0
560.27863	2.3
595.25214	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	595.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13583	2.4
59.01376	11.0
60.97120	2.7
61.98808	2.7
69.77948	8.8
71.01385	2.9
96.16357	2.6
96.96002	9.2
101.02431	3.2
125.09708	3.1
154.80594	2.8
195.88039	2.7
197.11832	7.7
207.10202	3.4
209.11815	36.5
216.85107	2.6
226.46356	2.8
253.09337	14.0
277.18231	3.4
287.16452	6.6
305.17554	39.9
323.18469	15.0
363.93219	3.0
461.20148	10.2
490.20529	6.5
541.26514	100.0
559.27655	29.0
595.25183	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	595.261
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01826	2.6
59.01380	67.1
61.98818	3.4
69.04962	4.5
69.05365	14.6
71.01382	39.5
73.02949	20.3
80.91235	2.4
81.62962	3.3
85.02940	5.9
89.02442	100.0
96.96006	5.4
99.00894	31.2
101.02444	44.2
113.02473	6.0
113.09238	2.4
119.03517	3.5
123.94264	2.7
131.03484	15.8
143.03532	6.1
149.04561	87.1
149.67699	2.6
161.04488	5.7
186.15828	2.6
191.05598	16.0
212.74522	2.4
220.48389	2.6
221.06612	10.3
251.07675	9.6
256.40259	3.0
293.08820	5.7
311.09827	7.4
346.99649	3.4
437.37088	2.6
607.92053	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
51.21557	0.7
69.15894	4.6
75.00848	0.9
78.95900	70.3
85.09071	0.7
96.22105	0.8
96.96960	13.8
98.21880	1.8
150.98033	1.8
152.99585	99.9
153.99959	0.8
171.00647	2.6
180.74486	0.8
223.00133	11.2
241.01189	26.9
259.02252	1.1
279.23285	73.4
280.23599	3.3
286.13409	0.9
315.04834	14.4
333.05829	1.3
595.28888	100.0
596.29303	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	595.2889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30943	0.7
56.37049	0.6
59.01373	0.8
69.17451	4.5
78.95905	66.3
96.96964	14.1
106.61000	0.6
109.61881	0.7
150.98006	1.1
152.99590	75.1
167.39076	0.8
171.00613	1.7
187.50026	0.7
207.63741	0.7
223.00165	2.3
241.01178	28.6
259.02283	0.7
277.21686	2.1
279.23297	62.0
280.23700	2.1
315.04880	7.5
408.20227	0.9
415.22559	7.1
433.23361	4.0
434.24112	0.9
445.23767	1.8
595.28882	100.0
596.29242	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	595.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.9
60.54628	0.7
69.57037	1.5
69.57419	2.4
71.01395	1.0
71.65616	0.8
73.85738	0.6
78.91908	1.2
78.95903	59.3
80.91681	22.9
96.96004	1.2
96.96953	13.8
152.99590	89.0
171.00592	2.1
223.00142	9.2
241.01189	23.8
242.46280	0.9
253.09322	1.4
259.02301	1.8
259.22098	0.9
275.05960	1.6
277.21719	7.3
279.23288	58.8
280.23581	2.1
315.04852	14.4
315.08255	1.5
359.21884	2.5
540.24280	0.8
568.75775	0.9
568.85364	1.1
595.28888	100.0
596.29596	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	595.2888
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
59.01372	1.6
61.98829	7.3
65.04757	1.3
69.44210	2.3
69.44597	2.4
78.95906	75.0
83.79637	1.0
88.00219	1.0
96.96960	15.7
98.22600	2.8
119.94681	5.1
143.59639	1.1
151.42972	1.3
152.99590	66.6
162.23244	1.2
171.00647	1.2
178.18874	1.2
196.03758	1.7
223.00105	2.9
241.01205	36.0
255.23262	2.4
256.23624	2.0
264.43549	1.2
279.23288	68.3
280.23608	1.8
315.04831	8.9
322.33441	1.3
415.22403	6.2
441.58057	1.2
595.28888	100.0
596.29211	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	595.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65489	0.6
55.55033	0.5
59.01379	100.0
61.29999	0.7
61.98821	1.3
69.68719	2.4
71.01383	1.1
73.82130	0.6
94.61412	0.5
96.96007	7.2
98.21924	1.4
101.02455	0.6
101.15445	0.6
124.40328	0.6
160.84212	0.8
200.61626	0.6
201.22241	0.6
207.09924	0.6
229.56946	0.7
314.31973	0.6
378.03479	0.6
411.56989	0.7
424.53885	0.7
535.22675	1.7
574.12006	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82875	1.3
51.45010	1.9
61.98784	1.9
68.51472	1.5
69.21763	9.3
70.91075	1.5
70.93281	1.4
75.69300	1.5
109.02955	3.0
115.48902	1.5
119.83310	1.4
121.02959	10.5
124.67086	1.4
128.37099	1.7
133.02965	3.8
158.36188	1.5
185.61755	1.6
209.04556	6.8
210.04865	2.7
233.23141	1.7
328.28070	1.6
340.08231	4.5
391.04517	2.0
453.57657	1.7
476.09970	5.9
596.14130	100.0
597.14453	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	596.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51236	0.2
59.01374	0.6
61.98829	100.0
62.20394	0.1
62.43344	0.1
69.15649	1.0
71.01388	0.4
85.02967	0.2
89.02454	0.2
96.96002	0.2
98.22716	0.3
119.03569	0.2
125.87320	0.3
160.84238	0.3
373.12961	0.2
510.04837	0.2
536.23425	0.4
564.19427	0.4
596.22345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18238	1.4
59.01379	13.5
59.13759	1.4
59.20420	1.2
61.98830	3.3
71.01378	25.3
73.02922	1.9
85.02946	2.9
88.04044	55.3
89.02434	5.1
96.49684	1.4
101.02455	7.0
107.75327	1.4
113.02435	3.1
115.00365	11.4
119.03532	2.1
132.03038	38.3
146.86911	1.5
183.19911	1.8
233.74391	1.7
265.46402	1.6
364.35168	1.5
455.56256	1.5
481.28177	7.5
596.30731	100.0
597.31146	5.6
619.65991	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	596.3206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71276	0.8
61.98806	1.8
68.93734	1.0
69.70049	3.2
72.79874	0.8
78.65237	1.0
78.95901	17.4
86.03481	0.9
96.96954	3.5
98.22578	1.2
100.64400	0.9
122.00119	1.5
122.98563	1.6
140.01186	10.8
141.09239	2.0
152.99588	3.1
154.73137	0.9
155.10765	1.0
166.02734	2.0
167.14403	3.5
183.13882	3.1
193.15889	1.2
195.13875	6.7
196.03786	5.6
197.15312	1.4
211.13603	0.9
211.17043	1.7
213.14937	10.3
214.04860	6.6
224.04962	0.9
227.16510	2.2
237.14949	9.3
239.16536	7.1
255.16002	100.0
256.16467	1.4
257.17575	99.0
258.17929	1.9
397.57425	1.1
452.20517	69.9
453.21008	4.2
454.22128	55.4
455.22610	1.8
578.31158	2.7
596.32019	44.7
596.41589	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
62.96386	0.3
69.40002	1.0
71.01399	0.3
78.95903	100.0
96.96036	1.8
96.96962	9.3
138.98044	2.7
150.98013	1.3
177.52919	0.3
214.46289	0.3
223.00148	0.4
241.01187	6.1
244.34010	0.2
254.99100	1.6
259.02264	2.1
281.37729	0.2
291.65527	0.3
351.40509	0.2
407.85529	0.3
421.07532	59.4
422.07922	1.1
597.10742	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	597.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	3.0
57.70571	1.3
59.01381	3.4
61.98837	4.1
64.03924	1.4
69.03469	1.7
69.10034	3.9
69.10447	6.4
71.01384	1.6
85.02969	2.9
95.05036	3.9
97.02958	3.6
108.02201	1.5
109.02931	6.3
109.06609	6.0
111.04520	5.6
112.98833	2.2
113.02493	1.9
119.05041	2.1
119.81586	1.5
121.06628	2.2
122.03748	19.7
123.04514	2.3
124.05286	9.1
125.02453	10.7
125.06046	2.4
135.04498	9.0
135.08069	1.5
137.06061	11.8
138.06862	4.2
139.04039	1.6
139.07657	33.3
151.00400	1.6
161.02542	2.1
163.04013	3.8
167.03464	3.3
171.08154	3.1
172.09010	1.6
179.03491	4.1
180.04008	1.6
182.05804	1.9
187.11293	27.1
189.09277	1.9
190.10025	5.5
205.12349	13.2
231.10223	4.8
249.11307	13.8
273.07684	8.0
285.04037	4.5
293.10318	100.0
294.10699	2.6
297.07553	1.6
302.23221	4.7
303.05051	5.0
303.23651	2.9
435.12457	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43995	0.2
57.03440	0.7
59.01373	0.3
65.00324	0.6
68.99802	0.2
70.97406	0.2
71.01374	0.4
81.03457	6.8
83.01373	2.6
85.02920	0.3
87.00864	0.4
93.03453	4.6
95.01423	0.2
95.05041	0.4
105.03476	0.2
107.01379	0.6
111.04553	0.2
112.23936	0.2
112.98798	0.4
115.00362	0.3
119.05029	9.4
121.02880	0.2
123.04528	20.7
124.01693	0.4
125.02448	9.2
133.01428	0.5
135.04532	1.8
137.02423	0.5
139.04018	0.5
147.04486	0.2
149.02441	1.0
151.00380	1.9
151.04018	0.5
152.01077	0.4
163.03998	1.0
165.01945	0.4
165.05591	0.4
166.02744	1.1
167.03499	65.6
168.03874	0.7
175.00352	0.7
179.03497	6.0
180.04248	0.3
181.05078	1.4
185.06082	0.2
187.07664	0.5
189.05537	1.3
191.03490	6.4
193.05074	0.2
195.06619	0.3
203.03479	0.7
209.04564	3.4
221.04579	1.3
225.07826	0.3
229.08647	0.9
230.96666	0.2
255.06744	0.4
272.06729	0.4
273.07681	100.0
274.08020	2.2
293.03183	0.2
297.07669	9.1
298.07892	0.2
302.23358	1.0
303.23654	0.5
315.08762	2.0
327.08731	0.7
339.08945	0.3
374.95428	0.2
375.10910	0.3
377.15741	0.2
417.11942	0.3
435.12949	38.0
436.13168	1.1
459.12970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31544	6.7
59.01383	100.0
61.96507	6.6
61.98819	23.4
67.08237	7.6
67.13982	7.7
71.01377	54.4
71.42149	7.4
85.02950	9.2
89.02453	85.3
101.02434	29.0
113.02436	22.4
119.03496	19.3
131.03517	8.2
146.03735	12.9
162.03209	13.6
166.72807	8.0
175.16060	7.1
177.05602	15.3
179.05708	23.0
181.05048	8.2
202.64726	7.6
218.31152	7.0
226.39049	7.2
286.90094	7.7
324.11218	7.2
339.12396	10.1
369.09631	9.4
399.14432	72.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01377	53.9
65.45802	0.8
69.54089	1.0
70.99419	1.3
71.01382	28.5
78.83985	0.7
82.84457	1.0
83.01377	1.1
85.02949	4.2
87.00856	3.3
89.02444	32.6
95.01379	2.4
98.54829	0.9
101.02444	13.2
112.98812	1.2
113.02445	11.4
119.03499	12.4
123.00898	1.4
124.01643	2.6
125.02467	1.4
131.03465	1.7
135.04472	1.4
137.02437	0.9
139.04005	4.2
143.03516	2.4
144.70888	0.8
151.00346	2.6
152.01207	1.0
159.04504	1.5
161.02461	1.4
161.04529	1.7
161.20573	0.8
166.02728	10.0
167.03546	1.2
175.03917	1.7
179.05605	3.1
181.05064	11.2
181.59126	1.0
187.03946	6.1
193.46178	0.9
202.02782	1.8
202.06380	0.9
203.03448	2.0
217.04996	2.4
232.07370	1.1
233.08197	1.7
265.05133	1.3
277.05130	0.9
293.04489	2.4
307.05984	1.6
308.06802	2.8
309.07553	1.4
323.05832	1.1
323.09265	5.8
337.07022	1.3
337.10648	1.6
338.11551	4.9
339.08575	2.7
339.12207	1.2
340.09641	1.3
353.10159	2.6
354.07092	1.3
368.12564	1.5
369.09637	11.0
369.13550	4.0
383.11435	1.8
384.12079	9.1
387.14328	4.2
399.14471	100.0
400.14850	2.3
452.68930	0.9
609.71716	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71654	1.0
55.01881	1.5
59.01379	75.1
60.35163	1.2
61.98826	2.7
70.87577	1.2
71.01382	38.9
72.99286	1.8
73.02944	1.7
74.90218	1.3
83.01384	2.8
85.02955	6.9
87.00888	5.5
89.02443	43.8
92.21090	1.4
93.88259	1.2
95.01359	3.7
96.96058	1.4
101.02439	21.8
111.00885	1.5
113.02457	11.4
117.98288	1.1
119.03504	21.4
119.05007	4.1
123.00829	1.3
124.01662	2.0
131.03514	2.1
138.03227	2.1
139.00392	1.3
139.04007	2.9
143.03490	3.8
149.02420	2.0
150.99350	1.2
151.00365	8.0
152.01193	1.1
159.04503	1.7
161.04578	2.5
166.02719	20.0
167.03540	1.9
175.03998	4.2
178.02721	1.1
179.05667	7.2
181.05064	33.4
187.03947	4.1
190.06384	2.6
191.03423	1.3
195.06729	1.4
203.03511	2.2
205.04919	1.3
205.08685	4.0
217.05165	2.5
218.05946	1.4
232.07379	1.9
233.08183	2.7
289.65289	1.1
291.06549	1.9
293.04596	3.9
307.06183	1.6
308.06934	4.2
309.07611	2.2
316.16522	1.8
322.08286	1.3
323.09152	11.9
324.09885	1.8
327.12363	1.5
332.08914	1.4
337.07208	1.7
338.07794	2.2
338.11530	8.6
339.08649	4.2
339.12469	1.3
346.97412	1.3
347.11276	2.2
353.10406	3.4
354.11118	2.2
357.13354	1.8
368.12885	1.6
369.09445	8.6
369.13748	9.1
372.12543	1.5
384.12161	9.3
387.14487	12.2
399.14474	100.0
400.14569	3.8
405.15179	1.3
417.15585	7.1
430.70853	1.2
436.22388	1.6
445.55917	1.2
478.94269	1.3
567.20691	2.0
597.14380	4.7
597.22998	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	597.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92070	7.6
59.01381	65.1
60.79482	7.2
61.98827	23.1
69.00516	6.8
69.27914	15.6
69.28292	35.6
71.01379	14.3
71.87589	6.7
78.91954	6.3
79.63887	8.1
82.95434	7.9
96.96006	12.4
101.02460	8.8
118.85745	7.0
167.58139	7.9
171.10222	7.3
189.94159	6.7
209.11852	30.7
253.09329	34.8
289.18082	16.8
307.19110	90.0
323.53275	7.4
325.20303	45.7
349.20428	11.7
543.28003	100.0
561.28979	36.6
597.26434	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	28.3
61.98827	17.9
69.13615	45.3
69.63451	8.4
77.14636	7.8
101.02468	8.6
112.70872	7.7
199.23598	8.8
209.11827	39.8
253.09230	25.1
289.18060	10.0
295.27142	9.5
307.19141	91.7
325.20145	51.0
332.66254	8.8
342.82648	8.8
543.28320	100.0
561.28870	26.0
597.26672	79.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	41.8
61.98829	7.2
69.34998	1.5
71.01380	27.1
71.01739	2.6
71.41854	1.7
72.99315	3.1
73.02948	9.2
85.02954	2.6
87.00901	4.7
89.02448	41.6
96.96036	3.6
99.00894	14.7
101.02447	15.5
113.02481	8.7
113.99318	1.9
119.03470	5.3
125.02448	2.2
131.03476	6.2
149.04552	12.0
150.03206	2.1
165.05585	4.3
177.01868	1.9
178.01299	1.8
181.05188	3.9
191.05600	4.4
207.09148	1.7
252.74765	1.5
279.44794	1.8
302.79929	1.6
399.14615	4.3
417.15500	4.4
537.25507	100.0
538.25488	4.5
597.17358	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	597.3279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21439	0.3
53.64991	0.3
59.01379	100.0
60.18472	0.4
61.98837	0.4
71.01379	0.9
96.96032	0.6
101.02470	0.7
112.98834	0.4
135.04587	0.9
179.03503	0.5
196.84132	0.4
274.62595	0.4
301.96155	0.4
337.47678	0.5
349.20212	0.5
561.29218	1.1
592.91766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94261	0.3
56.82919	0.3
58.02974	0.4
58.06350	0.3
59.01377	1.1
71.01360	0.4
71.44979	0.4
73.02943	0.6
77.53899	0.3
81.03458	9.6
82.95413	1.4
83.05026	33.2
100.07690	4.2
101.02417	0.6
123.04523	0.7
125.02418	0.7
125.07202	0.4
126.05595	0.8
127.04060	0.4
167.03558	1.9
199.16457	0.4
199.18175	6.3
205.55905	0.3
207.14902	0.5
208.03838	0.4
221.86565	0.3
224.17642	0.6
225.16080	8.2
243.17133	17.8
269.14990	1.3
303.08777	3.2
309.21817	1.1
331.19223	0.4
335.19501	0.4
349.20160	2.1
353.20813	6.9
371.22183	0.4
375.20148	1.1
406.56927	0.3
451.33051	2.5
452.32227	0.4
469.33929	13.9
476.67279	0.4
495.32034	0.5
553.39496	0.4
579.37683	2.9
597.38672	100.0
598.39014	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	598.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
61.98829	100.0
66.85568	0.5
71.42293	0.6
77.80599	0.6
89.02484	0.6
96.96062	0.6
121.31441	0.6
137.21381	0.5
150.03215	1.0
165.05533	0.7
166.06082	0.5
185.03636	0.5
216.54176	0.5
230.28624	0.6
537.26086	0.7
538.26202	2.0
583.44708	0.6
598.18835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32578	2.0
58.02982	13.6
69.76841	7.0
74.02479	25.4
82.02971	2.6
86.02472	8.2
86.06094	2.5
87.05656	4.4
91.37311	2.3
97.04037	4.1
99.05634	25.4
100.00421	3.0
101.07195	4.1
102.05584	6.1
109.04066	5.3
109.07722	4.1
109.20875	2.1
112.04053	2.7
121.86018	2.0
123.05628	2.3
124.07624	2.0
126.46122	1.9
127.05096	5.3
128.03540	72.0
133.98851	1.9
135.05678	10.2
137.07153	2.5
141.06645	2.7
143.04628	92.0
145.06155	4.3
146.04588	9.0
148.97540	2.0
153.06709	6.4
153.09096	2.7
166.09914	5.4
167.04610	2.5
167.08209	5.8
179.04604	23.1
185.05705	4.5
192.07655	2.6
197.05544	3.5
210.08853	18.9
228.09891	2.3
254.07808	48.0
272.08893	100.0
291.19748	2.7
297.31406	2.8
325.18436	6.8
342.68054	2.1
419.02908	2.8
469.23328	5.3
580.26990	7.6
598.27942	58.8
601.45319	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	598.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83102	1.5
58.02961	7.4
59.01381	10.9
59.09407	1.7
61.98832	14.9
69.73274	5.9
74.02462	15.9
78.40489	1.6
82.02967	2.2
86.02467	4.2
86.06140	2.0
87.05653	3.4
92.04768	1.4
96.95993	3.1
98.21928	2.0
98.99146	1.6
99.05640	12.5
125.89583	1.7
128.03539	38.3
135.05623	5.3
141.06653	3.4
143.04620	52.9
146.04549	5.0
153.06693	4.0
160.00710	13.4
166.09834	2.5
167.04579	5.1
167.08206	1.8
175.46080	1.9
177.03294	5.7
177.10480	1.6
179.04640	10.7
185.05705	2.6
210.08812	11.4
254.07829	14.5
272.08832	30.5
288.06522	12.0
306.07635	100.0
307.07892	2.4
542.26776	2.6
598.27942	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16088	0.6
59.01379	100.0
59.17610	0.8
61.98825	1.1
66.85411	0.6
69.14163	3.8
71.86599	0.6
78.95876	0.7
88.72261	0.7
96.95966	0.6
98.22707	1.3
102.95706	0.8
103.01498	95.9
111.63744	0.6
112.16917	0.7
165.18137	0.6
255.23146	1.9
262.80453	0.6
279.33359	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92440	0.3
61.98821	0.3
62.24844	0.3
69.91296	0.5
69.91607	0.4
70.52132	0.3
77.21116	0.3
77.55438	0.3
91.05174	0.3
93.03459	0.8
98.22601	0.3
117.03462	3.2
119.05029	100.0
120.05354	1.5
132.05797	0.7
145.02957	23.6
146.03336	0.3
148.50392	0.4
188.07137	0.3
220.09836	0.6
274.14337	0.7
291.17145	5.1
317.15057	38.3
318.15347	1.4
437.20810	61.6
438.21164	3.8
479.21936	0.3
497.06339	0.3
599.26257	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
64.03594	3.2
101.90070	3.7
168.72444	4.2
180.25989	4.0
199.26414	3.9
202.70078	3.7
270.48050	4.0
463.67773	4.6
485.76233	3.9
577.42303	3.8
626.62317	3.5
629.41394	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	600.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70938	0.9
55.20867	0.8
58.02975	14.3
59.32237	1.1
61.98809	1.0
63.02795	0.9
66.03477	1.8
70.02943	0.8
71.71523	1.0
72.00893	1.1
72.97541	1.3
74.02477	26.5
76.64889	0.9
81.04593	1.7
82.02986	4.3
84.04518	1.5
86.02470	11.1
86.06147	2.1
86.99093	1.0
87.05672	5.2
96.04581	1.1
97.04079	3.0
99.05647	25.0
100.00413	3.1
101.07213	6.2
102.05621	5.4
107.06123	1.5
109.04084	5.1
109.07696	2.5
111.05623	2.6
112.04070	2.6
113.03650	1.0
113.07301	0.9
123.05663	2.6
124.04043	2.2
125.03574	3.1
126.04364	1.3
127.05173	2.6
128.03546	68.4
135.05627	8.0
137.07222	2.6
139.05095	1.1
139.11218	1.1
141.06693	2.7
143.04630	88.1
145.06184	3.6
146.04596	8.0
153.06721	4.5
153.09222	1.3
155.14423	2.6
166.09857	3.6
167.04626	3.3
167.08296	6.4
169.06174	1.3
170.03377	1.9
179.04633	24.3
181.06168	2.8
184.10971	1.5
185.04073	1.1
185.05682	2.4
186.10860	2.1
186.63203	0.9
187.07881	1.5
192.07799	2.4
197.05688	4.2
210.08847	21.8
215.36826	0.9
228.09819	2.0
249.22316	1.7
254.07816	53.8
272.08878	100.0
291.72931	0.9
293.21170	3.3
304.06195	1.2
327.19998	8.5
462.43835	1.1
471.25226	8.1
497.22141	1.1
582.28320	9.0
583.29047	1.5
600.29633	64.2
601.29962	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.0271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43319	1.1
59.01379	100.0
62.12817	1.2
71.15456	2.0
71.66891	1.2
72.99309	1.5
73.02931	2.2
89.00336	1.4
115.02521	5.1
115.66119	1.3
117.00453	5.5
118.58401	1.3
132.99110	2.0
152.95244	1.2
157.03587	1.6
159.01494	74.1
160.01680	1.9
164.48103	1.3
170.97966	1.5
174.99239	18.9
176.98108	42.3
187.01051	1.7
201.02541	27.3
202.19472	1.3
215.03957	1.8
217.00302	41.7
259.01593	2.5
274.99326	5.3
301.02643	51.2
302.02789	3.6
314.86038	1.6
317.00403	40.1
326.00983	1.4
351.81839	1.8
359.01547	22.3
374.99567	2.3
459.01758	13.8
498.56281	1.6
524.38287	1.7
541.00543	35.4
542.00635	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	601.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01746	3.0
59.01381	40.8
61.98822	4.1
62.10560	2.9
71.01385	22.3
80.91679	16.4
85.02943	3.9
89.02450	16.6
96.96025	7.3
100.12249	2.8
101.02431	9.8
113.02441	6.7
119.03501	5.4
127.06081	2.5
133.02962	6.3
136.01666	15.5
141.00494	2.9
141.01680	6.4
146.03708	2.8
146.08174	2.9
150.03186	3.2
151.04025	31.7
154.97574	2.6
159.04509	3.2
160.05316	6.5
160.47870	2.6
161.02448	27.7
164.04720	3.1
165.05568	4.3
175.07664	5.4
176.04781	6.7
179.03488	10.2
179.05748	4.7
179.07158	8.1
179.22154	2.6
181.05008	3.5
191.07144	6.6
194.05919	4.1
195.06613	8.8
203.03426	5.6
210.49706	2.6
217.04985	3.3
218.05769	2.9
230.08464	2.5
233.08141	6.6
243.03494	3.0
249.72691	3.0
299.59515	3.3
323.07770	12.7
339.12433	6.7
355.11838	13.3
357.13181	16.9
379.11600	7.8
385.12851	21.2
439.13943	9.3
541.15710	3.1
565.19226	100.0
566.19843	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	601.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85144	3.4
59.01381	100.0
61.98829	7.8
71.01387	10.6
73.02935	10.6
81.53133	3.5
89.02441	6.6
101.02448	10.2
105.12283	3.4
111.50102	3.7
115.04762	3.7
124.06625	3.8
149.04591	4.0
180.92630	3.8
189.73833	4.1
343.99524	4.2
385.50784	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	601.279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	1.8
59.01381	100.0
59.64285	1.4
61.20839	1.6
71.01377	8.9
73.02944	4.5
85.02950	2.6
89.02438	2.6
101.02441	6.6
111.34826	1.6
113.02428	3.9
119.03478	4.2
140.66852	1.8
141.01688	8.6
143.55835	1.5
161.04570	2.9
173.89481	1.7
196.75528	1.5
236.13782	2.1
477.28424	2.2
479.29846	2.0
521.31836	1.8
559.28558	2.3
598.42316	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45314	1.2
57.80867	1.2
59.01382	24.9
59.77671	1.2
61.98820	3.7
69.56995	2.4
69.57357	2.4
71.01378	6.4
73.02943	32.3
83.01382	1.7
85.02943	2.6
89.02451	1.7
96.96004	2.0
101.02438	4.7
103.04045	1.5
111.15228	1.1
113.02454	2.2
116.92852	1.6
161.04564	2.6
193.08849	1.1
233.19099	2.7
247.20624	3.3
253.90216	1.2
261.22226	3.6
263.20142	22.3
266.15549	1.3
273.22089	2.8
275.20114	3.3
277.21759	10.2
291.23102	1.5
309.24347	13.4
335.22253	5.7
344.49951	1.1
353.23322	100.0
354.23538	3.8
362.84662	1.2
395.24368	4.0
515.05701	1.2
601.27350	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	602.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91264	2.1
62.85992	2.4
69.94742	6.1
78.95901	100.0
94.92503	3.8
96.96024	15.9
96.96933	3.0
98.21922	2.9
99.92576	20.0
102.46278	2.3
115.92105	3.0
150.98044	5.3
152.99579	55.5
155.95206	20.0
163.89708	6.2
164.90488	3.9
166.49768	2.5
169.93234	2.9
178.88429	4.9
179.89204	22.4
180.90016	7.8
181.90793	10.3
196.89487	10.8
205.90714	11.8
206.91451	2.8
208.79349	2.3
218.91396	3.8
219.92226	3.5
231.92302	8.3
234.91032	5.3
235.91821	10.6
236.92657	5.9
237.93416	6.6
255.23274	25.0
261.93210	5.0
291.94479	26.6
371.38263	2.5
409.23572	3.1
475.15552	6.8
483.27304	8.2
507.05002	2.5
548.18646	11.8
566.19714	71.9
566.50281	3.0
567.19409	4.6
613.17255	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24814	16.7
61.98823	27.6
62.26617	17.9
69.35829	100.0
83.41273	18.4
169.02962	22.6
195.06590	21.2
394.49399	19.1
528.88934	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.197
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43109	2.5
59.01379	71.4
60.02651	2.3
61.98833	43.7
71.01366	3.5
73.50297	2.1
73.62154	2.2
73.84981	1.9
75.14203	2.3
81.31850	2.5
92.74641	2.5
93.97787	2.6
118.81718	2.1
121.02932	2.7
132.98204	2.4
174.99260	20.5
216.91977	2.3
217.00305	100.0
349.68875	2.7
383.19312	4.4
441.19562	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	603.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98815	9.4
71.01385	48.5
72.25593	3.1
75.60999	2.8
78.91894	5.6
80.91683	84.7
81.02554	3.3
85.02946	6.5
87.00857	9.0
89.02453	69.2
91.16830	3.3
95.01402	3.9
96.96030	8.1
101.02438	29.8
113.02433	25.3
117.30659	3.4
119.03500	29.4
121.02959	5.6
126.11818	3.3
143.03525	4.7
143.18552	3.6
151.03987	4.1
159.04506	3.7
160.05312	8.6
161.04655	6.7
161.06094	15.1
164.04733	7.7
172.05313	4.0
173.05994	4.7
175.07620	6.0
178.06406	4.3
179.05608	27.9
189.05502	8.1
190.06372	7.8
205.08667	10.8
227.06868	4.9
281.08231	5.0
296.10602	6.1
297.11237	7.2
311.12921	8.7
312.13574	10.6
326.11517	4.2
329.14102	3.3
341.13916	18.5
348.09842	5.4
351.12051	7.1
363.12103	9.5
381.13196	8.3
393.13412	6.3
397.35263	4.1
423.14246	14.8
521.20386	28.5
543.18500	80.1
561.18506	5.8
587.16895	4.6
603.19489	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	603.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83757	1.3
52.01524	1.3
59.01377	39.7
62.31270	1.4
65.59655	1.1
83.03624	1.1
85.06582	10.2
86.36405	1.2
89.09602	1.3
113.06102	17.0
126.44772	1.3
131.07143	100.0
132.07564	1.8
144.92331	1.7
150.95804	1.4
173.08179	64.7
217.00340	2.3
299.34232	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.92313	1.1
60.99298	7.0
63.78162	0.9
71.01378	1.5
79.91683	1.1
87.00880	4.0
88.00397	1.4
88.98804	49.0
88.99358	2.5
89.02442	100.0
95.85233	0.9
96.96006	1.2
103.92036	6.5
104.81400	1.0
122.89403	1.8
148.90988	6.0
155.60512	1.2
165.91258	1.8
249.93433	1.9
277.21606	1.3
324.97580	2.1
358.20374	1.1
407.67136	1.2
468.41257	1.0
479.12161	1.1
483.00320	1.3
554.41534	1.2
603.19855	12.3
604.19244	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	603.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.4
60.99303	5.1
61.98812	0.4
64.31435	0.4
69.40437	1.9
71.01381	0.5
78.95899	1.4
82.95413	0.9
85.00438	6.2
87.00874	3.7
88.98808	34.1
89.02444	100.0
90.02786	0.8
96.96021	1.6
103.92075	0.4
152.99651	0.9
277.21558	0.5
280.38120	0.4
309.35410	0.4
505.25711	0.4
529.14142	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.5
60.99309	3.4
69.13644	1.3
69.14050	1.0
71.01367	0.4
85.00443	1.1
87.00882	3.8
88.00399	0.4
88.01217	0.3
88.98804	21.6
89.02441	100.0
90.02748	0.6
99.68153	0.3
110.04960	0.4
145.17757	0.4
160.12032	0.3
277.21625	0.6
278.22073	0.5
279.22537	0.4
310.09296	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34082	7.6
57.36723	6.9
57.58011	9.2
60.34888	6.7
61.98823	9.1
62.44028	7.4
63.58640	6.3
69.29672	41.2
75.81507	7.0
76.84149	7.2
78.95908	32.3
96.96008	27.3
113.52218	6.8
137.09729	20.9
146.74265	6.3
152.99586	22.3
155.10767	17.0
157.08725	11.1
171.10326	34.4
189.42929	7.6
194.62415	7.3
224.75899	9.2
275.20181	21.7
291.19778	38.0
293.21124	27.1
309.20688	100.0
323.64059	11.7
323.68106	7.5
386.99930	8.3
512.95410	9.0
540.89935	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	605.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.27004	0.9
62.96397	1.3
69.32822	4.8
78.95900	100.0
84.87621	0.9
90.46590	0.9
92.99086	0.9
96.24290	1.0
96.95992	1.4
96.96950	5.2
98.95549	1.7
99.92590	9.1
100.92863	1.1
100.93367	13.9
110.14662	0.9
115.92075	26.1
116.92860	24.9
120.96924	1.2
150.97989	4.0
152.99590	31.3
163.89696	3.9
164.90488	8.1
171.00641	5.9
172.95500	6.5
178.88440	9.8
178.91922	1.2
179.89207	31.7
180.90002	22.3
181.90784	5.7
195.00569	0.9
196.89476	38.2
204.89920	1.2
205.90724	8.1
206.91478	5.1
218.91570	1.2
219.92328	1.6
221.90286	0.9
227.03311	1.1
234.91080	1.8
235.91721	8.4
236.92606	23.0
237.93372	1.9
252.92079	3.4
253.92648	1.1
261.93277	1.1
270.93198	1.6
277.21719	5.3
278.93747	2.0
292.95303	1.4
309.95395	1.5
392.30563	1.0
403.15704	0.9
467.23569	1.0
495.12433	1.4
496.12991	2.2
497.14059	6.1
507.15131	1.1
514.14215	4.7
539.15161	1.3
557.16077	4.2
569.16260	8.4
587.17072	7.4
588.17444	1.6
601.15149	2.5
605.18188	55.4
606.18402	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	605.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98817	1.2
62.96404	1.6
65.72421	1.3
69.67090	4.9
71.01379	1.4
73.51517	1.3
77.98502	1.3
78.95903	100.0
81.50294	1.2
83.69226	1.2
91.93385	1.3
96.96024	7.7
96.96947	5.0
98.95576	5.3
99.92574	10.8
100.92714	2.5
100.93356	15.7
109.61047	1.4
115.91297	1.9
115.92081	23.6
116.92860	27.6
148.91022	1.6
150.98006	4.7
150.99101	1.3
152.99597	34.0
163.89720	4.4
164.21342	1.3
164.90514	4.6
171.00621	5.3
172.95467	6.1
178.88463	11.7
179.89226	30.4
180.90010	27.6
181.21440	2.1
181.90796	6.6
187.15562	1.5
192.89731	1.5
196.89493	36.7
205.90742	9.6
206.91512	3.4
218.91541	1.9
219.92349	2.5
221.90388	1.6
234.90994	3.2
235.91902	8.5
236.92613	22.5
252.92145	3.7
270.93112	1.8
277.21735	5.6
278.93597	2.9
309.95361	1.9
385.87039	1.6
431.21753	1.6
479.97818	1.4
496.13266	4.2
497.13632	8.0
514.14386	6.8
539.14471	2.0
557.16211	5.0
569.16144	11.6
587.17035	10.2
605.18231	75.9
606.18567	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	605.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55940	19.1
59.01381	100.0
61.79457	17.0
61.98827	20.2
62.77735	15.1
69.03485	17.2
69.71319	40.8
69.71706	49.5
73.02949	28.4
74.87730	15.2
84.91148	17.6
101.02429	50.2
106.82948	18.6
135.42348	16.2
136.01669	37.6
146.64157	16.5
151.04007	70.7
191.85995	17.0
215.40474	19.4
222.90450	18.2
309.07748	40.5
324.09796	21.8
339.12387	41.1
357.13345	61.7
405.82556	17.4
483.03711	21.6
567.03906	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	605.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38836	0.3
63.29442	0.3
69.23568	0.3
70.86934	0.5
82.08286	0.3
103.93931	0.3
106.06602	0.4
107.78682	0.3
121.11845	0.3
150.09418	0.2
154.15607	0.2
184.28432	0.3
194.69078	0.3
257.95923	0.3
301.18259	0.7
301.21735	14.3
302.22089	13.3
303.22687	2.9
334.81516	0.3
394.11945	0.3
415.15427	0.5
416.16809	0.6
421.31989	0.3
427.19211	0.4
428.16406	0.5
429.17072	1.0
430.17819	1.9
442.18060	0.6
443.18570	1.0
444.19284	0.6
457.20743	2.3
459.17691	3.0
461.23407	0.8
468.19394	0.3
469.20175	0.4
470.21570	0.6
471.18353	2.0
472.19003	1.0
473.19733	5.0
474.20157	0.4
475.21454	0.7
485.19733	2.4
485.24188	1.1
486.20895	3.7
487.21005	1.3
496.19046	1.1
499.17938	2.1
500.18063	0.4
501.22726	2.6
502.20279	0.3
511.21524	2.6
512.21490	0.6
513.19177	2.8
514.20062	8.7
515.20300	0.4
517.18738	0.6
518.19971	1.4
527.20984	0.4
528.21655	0.7
529.22461	100.0
530.22791	7.0
532.21106	1.3
533.22009	2.1
561.24902	1.1
573.21442	1.7
605.23914	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	605.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72499	0.4
55.59569	0.4
69.13564	1.5
69.13987	1.1
131.74307	0.4
144.85262	0.4
170.71581	0.5
357.92725	0.4
401.13681	0.4
415.15833	0.8
416.16653	0.5
423.16333	0.4
429.17294	0.8
430.18069	1.5
437.46472	0.4
443.19241	0.5
457.20895	2.1
459.12711	0.5
459.17474	2.4
470.21637	0.7
471.18710	2.0
472.19119	0.9
473.19574	5.7
474.20413	0.6
485.18896	3.4
486.20804	5.1
487.21295	1.5
496.19000	1.2
499.17365	2.2
500.22025	0.5
501.23837	3.2
511.21396	2.9
513.19391	3.1
514.20087	9.1
515.19757	0.7
518.19501	1.8
528.21417	0.8
529.22467	100.0
530.22809	7.4
532.21252	1.6
533.21960	1.6
561.25269	0.9
573.21588	1.2
605.24097	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18588	0.4
53.06435	0.4
53.43528	0.4
56.02205	0.4
60.99304	10.0
61.98824	0.5
71.01373	0.7
78.95891	0.5
82.95406	0.5
85.00424	4.8
87.00881	3.6
88.00424	0.8
88.01152	0.5
88.98807	59.4
89.02442	100.0
91.94855	0.5
96.96012	1.3
127.76041	0.5
134.61595	0.5
138.93394	0.5
188.36345	0.5
252.92719	0.5
254.16756	0.4
279.23203	0.9
327.22891	0.4
451.80341	0.5
574.96094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58927	3.0
57.96384	3.8
59.01385	39.3
59.54502	4.5
61.98815	13.1
69.17403	8.0
69.17807	16.8
71.01389	11.2
77.41343	3.8
85.02994	5.9
99.82299	3.7
101.02431	5.0
104.87099	3.8
277.18219	4.0
307.13208	3.9
339.25241	6.7
357.26453	60.9
501.30545	9.9
512.73651	4.1
519.31354	20.9
561.32813	100.0
562.33148	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	605.4268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	100.0
70.35984	29.3
78.95896	37.3
79.57136	15.5
91.03998	32.3
103.43784	15.2
112.45072	14.6
151.67560	16.5
153.29237	16.1
171.10254	53.2
178.40318	16.5
214.73207	19.5
255.23210	24.7
291.19574	17.7
335.32919	25.6
379.32187	22.2
397.33292	25.5
471.36453	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98833	4.9
69.87245	7.1
69.87615	6.2
78.95919	5.4
82.63283	2.8
89.02444	6.7
91.04004	50.2
95.11431	2.7
98.21925	6.3
101.79733	2.8
136.47307	2.8
140.01250	2.9
150.08385	2.7
171.10280	52.5
203.41513	2.9
245.57576	3.2
255.23346	24.4
324.61700	2.9
335.33173	43.9
379.32117	17.9
397.33197	36.9
450.77115	3.6
453.35870	26.3
471.36877	42.5
500.64374	3.5
544.59668	3.8
606.37665	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	606.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
58.98405	0.5
59.01373	3.6
61.98828	1.0
69.53712	2.1
78.95898	6.5
81.82015	0.5
91.04025	1.4
96.96017	0.6
113.61256	0.5
122.00109	0.9
125.09713	1.5
127.11287	2.2
138.02028	0.5
140.01202	4.9
152.99574	0.6
171.10280	100.0
172.10576	1.0
176.85751	0.7
196.03799	2.1
255.23299	32.8
256.23630	1.0
328.85220	0.6
368.14581	0.6
398.33841	0.8
452.27914	4.7
454.36490	1.0
472.37292	1.2
551.61896	0.7
601.66455	0.6
606.37683	15.1
607.38977	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1672
Annotation	Swertiajaponin 4'-O-rhamnoside
Peak:m/z	Relative Intensity
58.00620	0.6
59.01381	43.2
63.03312	0.8
65.25922	0.7
65.79499	0.7
70.61801	1.1
71.01382	6.2
72.99322	1.1
73.02952	4.0
73.18385	0.7
74.83978	0.7
83.44242	0.7
83.88081	0.7
85.02947	7.4
89.02447	5.5
89.23651	0.8
94.36847	0.7
101.02435	3.7
103.04031	3.6
104.15437	0.8
119.03522	1.0
128.25481	0.7
133.02974	2.3
175.00366	1.8
177.01807	1.0
192.26596	0.8
241.88860	0.8
251.03358	0.9
268.03741	0.9
280.03711	9.0
284.03235	3.4
291.03333	0.9
296.03250	2.1
297.04068	7.2
298.04807	11.5
299.05609	3.5
307.02341	3.7
308.03259	31.1
309.04050	5.5
310.04691	1.8
311.05539	2.4
312.06329	3.5
313.07010	1.2
314.14557	0.8
323.05603	57.6
324.06030	1.8
338.04327	1.5
339.05203	1.1
340.05783	0.9
341.06552	10.2
344.05234	1.7
353.06696	7.6
365.06442	3.3
371.07703	8.4
383.07904	2.1
428.07639	1.8
443.09827	36.4
461.10815	0.9
487.12192	2.9
511.18845	0.8
555.35303	0.8
574.91534	0.9
607.16693	100.0
608.17133	5.1
608.59314	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02826	1.6
51.31863	1.6
75.76682	1.4
78.95901	100.0
84.99990	2.1
85.00438	21.4
96.95989	4.7
96.96957	5.1
98.95597	2.6
99.92607	7.1
100.93368	13.6
115.92091	18.3
116.92862	25.6
150.98012	4.8
152.99597	33.9
154.75465	1.4
163.09818	1.5
163.89665	1.7
164.90456	6.7
171.00626	3.9
172.95439	5.7
178.88408	8.4
179.89211	24.7
180.90042	18.3
181.90735	4.4
196.89494	37.8
205.90758	6.4
206.91527	3.2
230.42528	1.7
235.91800	6.4
236.92636	20.4
252.92041	3.4
270.93430	1.9
278.93665	2.9
279.23160	7.0
279.26016	2.0
309.95428	2.2
481.25699	3.2
499.15591	8.5
516.15857	6.7
559.17767	4.9
571.18085	7.6
572.17438	2.1
589.18756	6.5
607.19720	78.6
608.19714	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
59.30640	3.8
62.57549	3.0
69.19878	19.7
71.01382	36.9
73.02950	65.3
83.01401	14.1
85.02956	9.8
88.98794	5.4
89.02449	18.6
90.25024	3.3
94.50186	4.2
95.01437	3.7
96.96038	8.1
101.02445	53.1
113.02445	27.2
116.92860	11.8
119.03509	5.7
123.04556	5.5
129.01952	4.0
134.03604	3.5
149.00880	4.0
149.04604	6.8
159.04518	5.0
160.05318	12.4
161.02460	5.8
161.04568	15.3
161.05843	3.3
163.29250	3.6
172.05330	7.9
173.06107	4.6
175.07668	4.0
189.05634	9.1
190.06369	15.3
203.82584	3.8
205.08746	9.4
221.06505	3.8
281.08096	5.0
296.10431	4.4
311.12756	6.4
313.16672	3.5
341.13947	53.2
342.14297	5.0
342.46320	3.6
355.11606	4.3
379.18076	3.6
443.09979	4.3
503.19229	23.6
578.01837	3.4
607.16467	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	607.2562
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
54.30813	6.2
54.39162	5.7
58.01800	6.0
59.11801	7.0
71.43533	7.2
109.74173	8.5
205.86247	7.7
311.42923	6.4
431.22375	22.3
460.23456	31.6
471.22192	10.4
472.22583	31.0
474.20761	9.5
475.25073	25.3
487.25070	97.3
502.19882	32.3
513.22919	10.9
531.24017	100.0
545.25720	8.3
548.24133	11.4
563.26453	27.9
607.25531	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43996	3.3
57.03457	4.7
59.01381	68.5
61.98849	8.4
64.11470	3.7
71.01385	12.5
73.02970	6.8
85.02438	3.8
85.02940	8.1
86.08842	4.0
96.70665	4.4
98.21883	10.6
101.02426	7.3
102.63132	3.8
106.71400	3.9
113.02507	7.8
125.87292	4.7
143.03522	5.0
168.91591	3.9
359.27957	9.1
434.64044	4.2
503.32205	100.0
521.33160	22.1
521.71692	4.7
563.33990	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	608.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
64.91216	0.5
69.18262	1.1
69.18666	1.7
69.69016	0.4
70.18381	0.4
85.40205	0.5
93.57732	0.5
94.98061	0.5
95.28097	0.5
95.34021	0.5
104.84332	0.4
158.78633	0.4
172.35640	0.5
217.45392	0.4
255.96445	0.6
403.90433	0.5
609.25928	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
56.33679	2.6
59.01377	27.6
61.98811	8.6
66.10115	2.6
69.51995	5.2
69.52391	6.6
78.95907	18.7
83.01366	4.4
83.05019	4.1
95.05000	3.1
112.10228	3.1
117.04302	2.6
125.09699	5.9
129.17314	2.9
139.11293	4.8
142.19359	2.5
152.99577	8.9
165.12839	9.0
168.04314	4.9
191.10669	4.2
193.15802	3.4
209.11839	28.7
213.31572	2.8
223.13350	3.0
242.07977	3.9
247.20590	6.5
270.17703	2.9
291.19632	32.6
291.22568	4.9
309.20663	41.1
323.22226	8.7
534.28357	100.0
535.28833	6.5
548.29718	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	608.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44173	1.6
55.50428	1.6
56.79425	1.5
61.98832	100.0
69.72367	6.9
74.91175	1.5
78.95900	2.2
122.43975	1.7
159.58232	1.6
172.94955	1.7
299.00620	1.8
305.88025	1.5
340.88470	1.7
534.71259	1.7
612.95746	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	100.0
69.65314	1.2
69.65679	0.7
70.02890	0.3
75.01443	0.4
78.95925	1.1
90.82545	0.3
99.92577	2.9
119.37419	0.3
134.80559	0.4
164.27341	0.3
171.10260	3.3
171.11462	0.4
172.10632	1.9
173.10828	0.7
192.92616	0.4
255.23358	1.0
256.23788	0.8
356.16742	1.1
444.98553	0.4
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
54.63822	0.3
59.01384	0.5
63.02403	0.8
65.00327	1.8
83.01404	0.8
87.00892	0.4
91.01923	0.3
106.52990	0.3
107.01392	3.5
108.02196	1.2
109.02962	1.4
121.02935	2.3
124.01707	0.4
128.91164	0.3
135.00917	1.0
135.04564	1.0
148.01700	1.3
149.00893	0.5
151.00372	12.2
155.10808	0.4
159.04497	0.4
163.00360	2.1
164.01160	1.2
169.01537	0.3
173.86630	0.3
174.03160	0.3
175.00371	0.6
178.99855	6.4
179.03433	0.4
180.03108	0.4
185.06021	0.4
187.04082	0.6
190.99843	0.5
192.00670	0.6
198.03035	0.4
199.04042	0.7
211.04028	1.5
215.03552	0.8
216.04294	0.8
226.02762	1.6
227.03482	3.2
239.03473	0.7
243.02974	10.7
244.03505	0.7
245.04523	1.3
254.02263	2.4
255.02992	27.3
256.03531	0.7
271.02490	58.1
272.03049	3.3
273.04059	0.8
283.02496	1.4
299.02069	1.8
300.02750	93.4
301.03516	36.1
302.03793	1.1
325.07205	1.0
336.43982	0.4
343.04477	0.9
343.08115	0.5
386.29462	0.3
423.25290	0.3
489.14441	0.4
609.14563	100.0
610.14984	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	609.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.7
68.99833	1.6
69.72563	1.6
69.72943	1.6
70.02126	0.9
71.01377	3.6
72.05941	0.8
73.59351	0.9
80.18791	0.9
83.01376	1.0
85.02931	1.0
89.02448	5.0
101.02411	3.3
101.03015	0.9
109.02918	1.0
113.02433	1.9
115.42435	0.8
116.92851	2.4
118.95832	0.9
119.03498	2.2
121.03021	1.0
125.02458	1.4
128.03540	0.9
135.00851	1.1
135.04541	4.6
137.02434	1.4
138.03197	1.6
149.01003	2.0
149.02391	3.1
151.00331	3.1
153.05627	2.1
161.02393	0.8
163.03990	1.3
164.04770	3.4
165.01923	1.0
174.98033	1.0
175.00406	1.2
179.03517	2.0
179.07126	1.3
183.04593	1.1
183.77284	0.9
187.03926	1.8
190.02774	1.1
191.03497	1.1
192.04262	1.8
193.01413	4.3
199.03986	2.9
203.03500	1.4
205.05040	1.7
207.06659	1.5
208.03748	11.7
213.05405	1.0
223.06107	26.3
227.03452	3.5
236.71767	0.9
242.02251	2.0
243.02946	19.7
244.03709	2.0
247.06148	1.1
254.02144	1.2
255.02988	15.0
257.04572	2.8
265.42935	0.8
270.01617	1.7
271.02472	36.2
272.03082	3.9
285.04077	5.8
286.04688	2.1
287.05670	2.3
298.98492	1.0
299.01968	28.2
300.02734	34.4
301.03366	2.1
313.03925	1.0
314.04300	24.0
315.05096	100.0
316.05447	2.9
401.16125	2.9
403.13849	2.3
447.12976	10.3
609.14569	62.5
610.14972	2.6
639.96283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19019	1.0
54.58417	0.8
57.03444	10.1
69.54853	1.6
69.55248	2.0
74.63338	0.8
81.03440	1.3
83.01399	2.1
93.03477	1.4
95.05013	1.1
97.02940	1.8
104.01364	0.8
109.02953	9.2
121.02950	3.4
122.03765	0.9
123.04565	6.4
125.02448	100.0
126.02754	1.5
133.02925	2.3
137.02443	8.0
139.03990	2.3
149.02422	1.6
151.03993	3.8
161.02451	23.2
161.06125	2.0
162.03175	1.4
164.01154	8.6
165.01941	10.7
167.03462	1.9
178.78041	1.1
179.03473	2.1
187.04050	1.1
189.00455	0.9
197.04527	7.8
203.07085	3.5
205.05013	2.7
221.08095	1.6
233.90758	1.0
243.06558	1.2
245.08197	7.7
264.18839	1.0
269.04501	2.1
287.05606	15.9
289.07172	38.9
290.07367	1.4
298.04794	1.3
313.03625	1.0
319.08270	7.1
385.97641	1.1
472.43768	1.1
549.02655	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15742	0.7
57.29504	0.8
59.01366	3.2
67.20705	0.7
68.99815	5.1
71.01366	1.9
81.75889	0.7
89.02450	1.3
93.03440	0.8
98.21860	1.6
101.02404	0.9
109.02972	1.1
112.98810	1.4
121.02911	1.5
123.00869	4.1
125.02451	2.1
133.02887	0.7
134.03722	0.7
135.04527	2.8
137.02438	2.9
138.03212	7.7
139.00395	0.9
139.04013	1.2
149.01003	1.3
149.02434	13.5
151.03912	0.9
152.01152	2.2
153.01894	1.9
153.05576	10.0
162.03265	1.4
163.04065	5.2
164.04813	14.3
165.01898	2.9
168.04285	1.2
175.00362	3.1
176.01147	2.4
177.01935	2.6
177.05638	1.5
178.02762	1.2
179.03526	1.7
179.07082	4.7
180.04227	0.8
190.02748	3.6
191.03496	2.4
192.04327	3.7
193.01414	16.8
193.05017	0.9
205.05164	4.9
207.06667	5.2
208.03758	39.8
209.04207	1.8
219.02818	1.1
222.05341	1.7
223.06105	100.0
224.06494	3.6
247.06171	1.0
255.02960	0.8
265.07254	3.5
271.02548	1.3
300.02722	2.4
315.05173	4.3
331.11728	1.1
343.08353	1.1
373.12836	3.3
385.11441	0.8
397.10010	0.7
403.13882	8.6
429.11960	2.4
447.12961	48.7
448.13232	2.8
481.94116	0.9
499.80817	0.8
555.53497	0.9
568.47437	0.7
581.39008	0.8
609.14655	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22658	1.7
56.03937	1.7
59.01369	4.3
69.64753	4.1
95.05032	3.6
121.10242	24.2
128.13126	1.7
151.96902	1.9
157.93530	2.1
171.10271	60.1
207.09987	2.3
223.13223	2.4
231.21167	4.3
246.12129	2.4
247.20593	2.1
275.20163	72.9
276.20306	1.9
278.11423	8.2
293.21222	71.1
294.21503	2.6
297.18390	5.5
315.19388	50.2
316.19727	2.5
356.41663	1.9
359.18500	5.1
391.18866	2.2
609.41327	100.0
610.41394	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	609.414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66652	82.6
59.17054	71.3
63.36927	87.1
71.43803	80.0
74.00857	82.5
87.68299	84.3
109.47622	93.4
184.86256	71.6
255.23466	80.7
445.84296	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	610.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59908	0.4
59.01379	2.3
68.84911	0.4
69.03445	0.5
71.01381	2.3
74.01436	0.5
85.02968	0.5
86.34704	0.4
87.00871	0.4
89.02444	1.4
93.03479	0.8
96.96010	0.8
101.02510	0.6
107.36372	0.4
109.02933	0.4
112.98830	0.8
119.90044	0.4
121.02957	21.7
125.02404	0.7
132.75902	0.5
133.02968	0.7
134.02515	0.4
135.04526	9.2
136.72214	0.5
147.03264	6.4
149.00912	1.6
149.02409	0.5
153.01987	0.6
160.04060	1.3
161.02473	2.1
162.05609	100.0
163.05951	1.6
179.03467	1.5
181.06619	1.3
183.01201	1.0
190.05061	3.7
209.06050	4.7
225.05540	2.3
227.07138	8.4
228.06705	1.9
238.08751	0.7
254.08136	2.6
256.09790	27.3
265.07462	1.9
266.08176	6.2
272.08795	0.9
284.09286	24.2
285.09488	0.9
357.48627	0.4
550.19263	5.9
578.18793	54.8
579.19110	2.7
601.67700	0.5
635.52448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63787	0.6
59.01377	13.9
61.98812	0.8
70.84693	0.8
71.01379	17.4
85.02951	1.4
85.74765	0.8
88.04042	72.5
89.02431	3.4
96.99279	1.0
101.02420	2.7
110.06117	3.8
111.40797	0.7
113.02422	1.6
114.01963	1.9
115.00378	17.3
119.03526	1.4
132.03029	46.5
211.72752	0.8
271.20587	2.2
276.43124	0.6
288.23328	8.9
289.21613	5.9
300.03598	0.7
302.20908	0.8
306.07617	1.8
315.19601	3.1
324.23090	0.9
332.22311	29.4
333.20633	8.4
342.24237	1.7
360.25443	1.2
386.23398	4.2
404.24295	2.6
430.22330	15.7
431.22586	0.8
448.23383	38.0
449.23816	1.5
454.44873	0.7
495.26126	1.4
592.27539	1.0
610.28662	100.0
611.29004	4.9
615.91919	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42659	2.1
59.01385	14.1
61.98822	6.1
70.02948	2.6
71.01389	15.7
71.07186	4.3
74.85821	2.1
82.95433	3.1
88.04038	72.8
89.02438	5.9
95.41248	2.1
96.96013	2.9
113.02469	2.8
114.01973	3.3
115.00373	16.7
115.92016	2.4
116.92863	3.2
132.03021	65.9
215.37720	2.4
271.20746	2.8
286.92648	2.6
289.21661	4.3
301.17886	4.0
315.19528	2.6
323.16333	14.1
332.22238	15.5
430.22375	17.8
448.23376	21.9
500.36313	2.7
507.22122	3.6
547.21655	18.4
610.19281	4.5
610.28571	100.0
611.28925	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	610.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65185	1.5
58.78598	1.4
59.01376	22.6
60.14833	1.4
61.98827	2.5
68.51632	1.7
69.11494	9.9
71.61475	1.3
77.84455	1.6
78.95905	15.3
88.21783	1.5
93.65971	1.3
102.30346	1.6
118.66013	1.4
139.11327	4.9
152.99582	4.5
158.28468	1.4
168.04359	2.2
171.10266	22.9
185.11769	2.2
193.12341	4.3
194.63927	1.4
197.11803	2.0
204.31551	1.7
211.13434	6.1
224.06853	2.7
242.07996	4.2
249.22154	1.6
251.21896	1.4
282.19894	1.5
293.21222	17.2
311.22287	58.7
312.22711	3.6
319.86765	1.5
366.70309	1.8
384.07913	1.7
465.22623	2.4
536.29901	100.0
537.30286	4.7
623.42657	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	611.0958
Annotation	Unknow
Peak:m/z	Relative Intensity
65.86750	3.4
67.99809	3.3
69.93472	9.2
78.95894	5.2
79.95711	5.1
87.98164	4.3
91.08610	3.7
96.37584	3.5
96.96011	100.0
96.96949	7.1
98.22626	4.6
164.59875	3.9
402.63171	5.2
498.17780	4.3
516.02106	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	611.1619
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
56.14906	1.2
57.05578	1.4
59.01369	2.6
65.00320	7.3
83.01378	3.6
93.21750	1.5
107.01382	16.2
109.02969	3.0
122.44864	1.5
125.02399	5.9
133.02998	1.6
135.04527	77.7
136.04846	1.9
137.02478	1.6
149.00931	2.2
149.02386	3.4
151.00374	100.0
161.02386	3.5
164.01137	1.5
164.04747	3.3
165.01910	6.6
175.00363	3.7
179.03481	2.0
180.04269	2.7
185.90582	1.3
193.01367	3.9
195.06577	5.7
208.03795	3.6
210.05254	1.3
223.06067	11.7
225.07629	5.6
287.05600	76.8
288.05780	3.9
290.28876	1.5
303.96616	1.4
401.12405	2.2
449.10767	78.6
450.10883	2.1
535.93835	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	611.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46680	2.9
59.01382	45.9
61.98834	4.3
70.80634	3.4
70.80972	3.6
72.99312	4.2
73.93481	3.2
83.02322	3.2
113.02450	3.1
114.43856	3.1
116.36897	3.2
119.05013	5.8
135.04556	8.0
147.04521	94.6
149.02484	3.6
151.00357	5.7
165.01967	6.1
165.05576	100.0
179.03464	6.1
195.06575	6.0
207.06645	53.1
208.03758	3.6
223.06119	15.5
232.98788	2.8
262.58276	3.2
287.05481	4.5
308.68802	3.3
329.10425	3.6
366.71085	3.0
447.10095	6.8
551.21521	6.1
575.27118	4.0
611.17499	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	611.198
Annotation	Durantoside III
Peak:m/z	Relative Intensity
57.49104	1.8
69.43310	6.7
71.01385	2.4
75.84176	1.4
85.95951	1.6
89.74461	1.6
95.46345	1.3
98.21881	1.9
100.54932	1.3
111.00869	2.7
123.00850	7.0
135.04533	2.9
138.03236	16.8
139.00349	18.0
151.00342	1.9
153.01932	3.1
153.05550	9.2
166.02591	2.0
173.07695	1.7
178.02750	1.7
189.01782	2.4
190.02708	6.6
191.03413	5.0
193.01428	1.7
203.03433	1.8
205.05032	6.6
217.01320	3.9
232.03790	4.2
233.04553	3.0
247.06123	4.7
269.00485	1.5
284.36398	1.5
291.05643	1.6
324.06519	1.6
355.08353	2.1
369.10089	1.5
371.07544	5.4
374.09851	2.3
374.79639	1.6
385.09189	2.9
386.09958	11.5
389.12366	17.4
401.12402	30.7
413.12427	7.0
419.13501	8.4
431.13510	19.1
449.14526	100.0
450.14398	3.5
491.11572	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	611.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
59.01381	51.6
60.99291	1.6
61.98826	8.4
62.27463	0.6
66.18797	0.7
70.25211	1.9
71.01383	24.4
72.99307	0.8
73.02969	1.1
76.35178	0.6
83.01387	1.6
85.02954	4.0
85.82720	0.6
87.00875	3.7
88.98808	10.2
89.02448	36.7
95.01412	1.6
96.95960	0.8
101.02448	16.0
113.02464	10.1
119.03506	12.2
124.01657	2.4
124.02551	0.6
131.03532	1.1
133.02992	0.9
139.04021	4.7
143.03539	2.4
149.04604	1.0
151.00380	2.2
152.01115	0.8
155.95323	0.8
161.04601	1.2
166.02724	5.8
167.03510	2.3
174.03181	0.9
175.03983	1.4
178.02719	1.2
179.05638	4.6
181.05069	6.2
187.03987	5.1
193.05031	1.3
201.05524	0.9
202.02811	0.8
203.03557	1.0
217.05060	2.0
232.07359	1.6
233.08252	2.0
248.29596	0.7
267.72510	0.7
279.06567	0.8
293.04578	2.3
303.35083	0.8
307.06143	1.3
308.06885	3.1
309.04224	0.9
309.07693	1.2
322.08362	1.4
323.09192	6.1
324.09756	1.1
337.10849	1.8
338.11517	4.2
339.08615	2.7
340.09583	1.5
341.10187	0.9
351.08484	0.9
352.09457	0.8
353.10306	3.2
354.07251	1.0
354.11087	1.2
355.11755	1.0
367.11835	0.9
368.12769	1.3
369.09720	10.1
369.13574	6.3
383.11374	2.2
384.12091	9.2
385.12708	0.9
399.14496	100.0
400.14856	4.7
532.95258	0.8
579.21594	0.8
611.23651	2.8
611.42126	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	16.7
61.98811	1.8
70.45917	2.0
71.01390	7.7
71.86971	1.1
73.02946	2.4
83.01387	1.2
85.02953	3.6
89.02440	6.5
96.96021	2.7
100.80614	1.1
101.02441	9.5
113.02439	5.0
119.03519	2.8
125.02519	1.2
136.01678	1.2
150.82784	0.9
151.95088	0.9
153.05545	1.1
153.70726	1.0
164.23953	0.9
207.06819	1.0
223.06094	2.4
395.20776	1.5
413.21799	100.0
414.22287	2.9
546.09180	1.3
611.24597	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	611.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00933	0.5
55.01873	0.7
59.01122	1.0
59.01385	13.9
61.98821	1.5
70.55413	0.8
71.01389	8.7
73.02950	1.6
83.01393	1.6
85.02959	3.0
87.00874	0.6
89.02460	6.9
96.95988	1.3
101.02453	7.7
113.02496	3.6
119.03508	3.1
131.41278	0.5
143.16348	0.6
145.13411	0.5
148.04031	0.9
148.91031	0.6
152.07191	1.8
161.04535	0.6
177.01979	0.6
179.05522	0.8
202.53891	0.6
395.20605	1.0
413.21814	100.0
414.22095	4.4
437.21390	0.8
455.23154	0.8
473.20996	0.8
568.06860	0.7
605.13202	0.6
611.24731	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	611.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63187	0.7
61.98820	0.8
63.74402	0.6
63.97133	0.6
64.69894	0.7
69.06481	4.7
69.64877	0.7
78.95909	8.4
79.95729	2.8
85.27763	0.6
90.65887	0.6
96.00948	1.1
96.96013	100.0
96.96925	13.3
98.21880	1.6
123.72443	0.6
142.70314	0.6
197.17429	0.6
200.15874	0.7
225.42033	0.7
253.09155	0.7
277.21658	4.6
291.04187	1.1
351.06247	1.9
530.63245	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77198	0.9
64.30359	1.0
71.01379	1.4
78.95919	5.5
79.95744	1.6
87.87315	0.9
96.96014	100.0
96.96918	7.9
109.71587	1.0
117.07178	0.9
189.00859	1.6
210.04451	1.0
277.21747	3.6
283.94226	1.0
291.04077	1.7
351.06107	4.1
375.19119	1.1
391.58246	1.1
415.65164	1.2
457.84058	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.1
64.32124	1.6
69.17036	6.5
98.22610	2.9
99.92586	26.9
114.94935	21.4
116.92863	78.9
120.72558	1.6
120.99751	1.4
126.87244	1.4
135.01331	1.4
149.02480	2.2
149.49257	1.5
158.93913	100.0
159.10246	12.4
159.89421	1.6
159.93988	1.5
165.01944	1.9
168.11432	1.6
168.31776	1.4
223.06158	2.5
225.07771	2.0
317.19467	1.8
410.42566	1.9
449.14572	4.8
451.32874	4.6
579.93506	1.6
611.18469	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98814	3.9
66.25181	1.0
69.12263	5.3
71.01406	1.4
96.96000	4.4
114.95683	1.0
178.59140	1.0
288.85492	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46935	0.8
59.01367	2.2
61.98831	100.0
70.52730	0.8
71.01370	1.6
89.02443	1.0
102.94665	0.8
109.19257	0.8
110.09420	0.8
162.70374	0.8
173.00848	0.8
181.05074	1.0
258.31100	1.0
308.12949	0.8
399.14450	1.6
400.14755	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	612.2046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	10.4
61.98830	100.0
64.89144	0.7
70.80369	1.3
71.01391	5.3
81.74180	0.9
85.02930	0.8
85.69781	0.9
89.02431	6.3
89.56066	0.7
91.20046	0.8
101.02459	2.2
113.02439	1.7
116.58813	0.8
119.03455	1.8
129.70375	0.8
132.04523	1.2
134.06123	8.1
152.07196	0.8
158.02457	2.8
162.05537	0.9
183.81693	1.1
190.05103	11.3
193.04970	0.8
199.40222	0.8
222.07730	5.8
266.81192	0.9
314.12192	1.3
337.11932	5.8
369.14496	3.4
400.14722	1.3
517.18243	12.2
549.20917	42.7
550.21332	2.1
563.42688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59692	0.7
54.20715	0.6
57.03447	0.9
59.01385	2.3
61.98830	1.3
69.03457	0.8
69.24181	3.8
70.36793	0.8
75.46248	0.7
83.05030	0.8
92.92807	1.2
95.05070	0.9
97.06611	0.9
109.74783	0.7
120.05826	0.7
125.09727	1.2
141.12906	0.9
152.99574	0.8
171.10275	51.4
185.11877	0.8
191.06876	1.8
195.13931	2.2
207.10031	1.0
209.07959	1.1
233.22736	0.8
249.22261	2.3
277.21735	61.3
278.11380	0.9
295.22791	100.0
296.23114	2.7
298.85541	0.7
299.20108	0.9
317.20990	43.6
318.21362	1.1
361.20053	3.4
613.44446	88.0
614.44348	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	614.209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
69.66218	0.5
71.13273	0.2
112.31121	0.2
135.04585	0.3
179.03435	0.3
356.52802	0.2
377.09653	0.2
485.82260	0.2
578.18872	0.2
612.99799	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99820	0.3
78.95915	3.3
79.95738	2.3
79.96133	0.4
96.96014	100.0
96.96901	5.2
98.22627	0.8
106.63720	0.4
114.03979	0.4
116.92867	0.5
121.09904	0.4
155.77147	0.4
224.68362	0.4
277.21631	0.5
280.95303	0.4
326.93765	0.4
546.27386	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00572	1.6
59.01375	10.5
61.45237	1.7
61.98830	19.2
71.01388	25.0
73.02950	3.5
85.02950	5.5
88.04041	52.5
98.61925	2.0
101.02468	5.7
113.02433	4.8
115.00377	11.5
116.92865	3.0
123.45235	1.7
132.02072	2.5
132.03044	30.1
149.02438	2.0
157.68834	2.1
215.68738	1.9
223.06157	3.9
259.01382	2.3
307.12546	1.7
323.79971	1.8
337.23898	3.2
469.17511	11.8
499.29123	6.4
565.07001	2.3
570.32446	2.1
596.30914	2.0
614.31818	100.0
615.32001	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53322	0.2
55.86085	0.2
58.25017	0.2
59.01383	1.5
61.98823	0.7
71.01387	2.1
72.99326	0.3
73.02947	0.3
76.84743	0.2
78.95903	6.4
79.95731	3.0
81.10387	0.2
83.01376	0.3
87.00850	0.2
89.02455	1.0
89.76867	0.2
90.97132	0.4
91.53799	0.2
94.98113	0.3
95.97656	0.2
96.96013	100.0
96.96920	10.3
97.02997	0.2
99.00883	0.9
101.02450	0.3
104.51443	0.2
112.76539	0.2
116.98737	0.2
118.96635	2.5
119.05070	0.3
128.98711	0.2
132.98213	1.5
135.04538	1.3
136.18764	0.2
140.98709	0.3
149.04538	0.6
154.96646	0.4
156.98164	1.2
158.99750	0.7
160.97691	1.9
168.98172	0.3
170.99818	1.1
177.00818	0.2
182.99686	0.6
184.97681	0.3
186.99263	0.8
189.00896	0.3
196.97681	4.5
196.99492	0.2
198.99263	1.4
210.99208	0.5
217.00290	1.1
229.00336	0.8
243.01591	0.2
244.99776	0.4
259.01318	3.2
260.95178	0.2
261.04654	0.2
289.02402	1.7
303.08969	0.4
304.28845	0.2
307.16711	0.2
310.20111	0.2
317.15115	0.2
319.03391	1.0
349.04453	1.8
453.20358	0.6
483.15311	1.0
555.17615	0.7
597.18634	0.3
615.19769	8.9
616.20184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
63.19106	0.3
64.09621	0.2
69.32178	1.2
71.01375	0.5
78.95905	5.9
79.95735	2.9
83.84490	0.3
89.02454	0.5
94.98090	0.6
96.96014	100.0
96.96918	9.9
98.21790	0.3
99.00877	0.3
105.57463	0.3
109.35230	0.3
154.96609	0.4
176.19177	0.3
196.97661	2.5
198.37698	0.3
216.74123	0.3
259.01379	0.9
289.02322	0.4
321.10431	0.5
349.04578	0.6
437.55258	0.3
555.17603	1.0
615.19385	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00072	0.5
61.98822	0.8
70.15186	0.6
71.42073	0.5
78.95898	1.7
79.95734	1.9
96.92213	1.6
96.96014	100.0
97.95963	0.6
164.46451	0.5
239.12465	0.6
240.92479	0.5
313.67618	0.5
556.42389	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	616.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36971	58.3
62.22259	62.5
66.04701	73.9
70.13863	71.7
70.63425	100.0
93.41622	63.4
98.22507	74.3
111.92861	66.7
114.45724	67.5
151.29097	65.3
170.75865	62.3
174.90300	67.6
390.49820	70.8
395.20871	79.3
481.38852	85.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	50.9
61.98817	25.2
69.13852	50.8
71.01374	23.6
82.95421	100.0
89.02445	27.7
96.96017	21.1
98.29159	9.2
101.02501	15.0
108.39996	9.4
114.93401	31.4
115.04018	15.8
134.33347	10.0
148.55144	9.8
197.43185	10.4
333.13361	10.7
342.29272	11.5
369.09775	12.6
581.21515	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	617.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19464	1.4
59.01380	100.0
61.98821	3.9
71.01385	12.1
71.21774	1.7
71.43371	1.8
73.02944	12.1
80.55140	1.6
80.91739	1.8
85.02952	3.5
89.02454	7.7
96.96004	2.1
101.02447	13.6
113.02451	7.9
119.03500	3.5
146.04657	2.0
156.03502	1.6
161.04532	6.2
167.17442	1.6
191.26085	1.8
195.73390	1.7
223.41893	1.7
273.94516	1.8
413.21967	2.4
437.21664	2.1
455.22916	15.3
535.31415	2.3
537.30835	2.3
557.29242	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	617.329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
69.22384	7.5
93.12559	1.2
96.96032	8.0
103.00382	3.1
103.01501	70.7
114.07069	2.0
132.93420	1.3
133.95589	1.3
168.16951	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98836	2.0
68.19451	0.8
70.11405	1.9
73.37759	0.7
76.36249	0.7
78.95913	4.7
79.95798	1.1
91.67696	0.7
91.73022	0.7
96.96016	21.2
96.96967	1.6
98.22516	0.7
98.95633	1.1
103.00391	3.8
103.01499	75.8
106.39874	0.7
115.88692	0.7
152.99623	1.0
171.10384	1.1
185.85809	0.7
202.48093	0.7
203.20325	0.7
500.39963	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.0982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.8
61.98829	2.9
71.44319	1.6
79.96094	1.5
83.53427	1.6
96.96058	1.9
115.94182	2.0
125.44523	1.7
131.54564	1.6
135.07922	1.6
136.61243	1.6
138.71982	1.6
220.94104	1.6
298.04974	2.4
317.74548	1.7
341.06924	2.0
352.99899	2.2
355.01334	3.0
368.99179	2.2
382.00082	4.3
395.00812	2.9
396.01691	16.0
397.02567	10.6
410.99857	3.0
439.03479	100.0
440.03745	1.9
461.11148	2.2
469.04639	4.0
469.51157	1.7
559.07721	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50143	0.5
59.01371	4.8
69.26198	2.7
71.01382	2.7
73.02943	0.6
81.07094	6.2
82.95417	2.0
83.05036	1.3
85.02973	0.6
89.02441	2.8
94.04258	1.3
95.05045	0.6
96.96003	0.6
101.02436	1.2
103.41178	0.6
103.98945	0.6
107.31741	0.5
109.06590	6.6
113.02451	1.3
119.03461	1.0
121.02924	0.8
123.04523	17.9
127.07649	13.3
138.03226	7.5
146.37711	0.5
153.05573	100.0
154.05896	0.9
171.06624	11.8
179.05577	1.5
223.01935	0.6
231.22681	0.6
378.99060	0.8
439.16074	55.3
440.16531	1.6
581.22107	1.1
609.63708	0.7
619.22388	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	619.256
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
64.89149	0.7
65.15332	0.6
70.12392	1.5
70.12730	1.3
70.94746	0.8
113.16371	0.8
145.04796	0.7
217.21753	0.7
295.49240	0.8
327.92526	0.8
389.15494	0.9
394.34988	0.9
401.14124	2.9
414.15158	1.3
415.15662	2.4
416.16412	17.8
417.16913	1.1
429.17227	2.0
430.17920	4.4
431.18777	2.0
434.17261	1.5
444.15808	2.1
458.17685	1.7
459.18274	100.0
460.18637	5.7
473.19824	15.7
474.20532	5.5
487.17783	0.7
490.19971	0.8
501.19391	1.2
503.17264	2.1
518.19580	45.3
519.19922	3.0
532.21216	9.7
533.21954	99.9
534.22241	4.5
587.22906	6.8
619.25598	96.0
620.26160	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	619.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.17905	10.8
76.52460	2.0
78.21830	1.8
122.64619	2.0
415.15707	3.4
416.16446	14.8
457.16379	2.4
459.18246	100.0
460.18689	7.9
473.19986	11.3
474.20374	6.0
503.17114	2.6
518.19531	39.8
519.19464	3.4
532.21252	6.2
533.21960	67.1
534.22089	4.8
587.22864	4.2
619.15558	3.4
619.25531	64.3
620.25848	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	619.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.94225	3.8
57.02214	3.6
59.01375	68.3
64.21607	3.6
78.95909	8.0
78.96614	3.7
79.95745	3.6
96.96011	100.0
96.96966	7.4
103.01499	43.5
121.48974	4.5
124.00175	4.5
200.54384	4.6
215.98573	4.6
255.33279	4.5
255.40393	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	619.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60060	4.4
59.01380	100.0
78.95887	14.7
81.54127	5.0
96.96016	45.2
98.22699	9.5
100.96053	5.9
103.01504	69.1
132.45979	5.2
327.21756	5.2
370.30011	5.4
619.21710	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	619.3999
Annotation	3beta,23,28-Trihydroxy-12-oleanene 23-caffeate
Peak:m/z	Relative Intensity
57.03426	0.9
68.57206	0.7
69.35580	3.3
69.35917	0.8
81.03442	1.2
95.05035	0.9
109.06583	1.0
138.87306	0.7
140.04890	0.8
159.08139	1.0
175.11250	2.3
189.12827	4.0
191.12711	0.9
191.14417	15.5
228.77029	0.8
245.15288	1.2
301.61340	0.7
309.20529	1.0
459.18265	0.9
513.40973	1.5
531.42212	9.6
532.42621	1.5
557.40076	1.4
575.40851	3.5
601.38440	1.4
619.40002	100.0
620.40308	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	620.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19696	0.8
59.01380	100.0
61.98832	1.6
69.59882	2.7
71.45757	0.7
86.69943	0.8
102.95655	3.1
103.01499	86.3
165.10976	0.9
260.67960	0.9
263.57016	0.9
277.21655	1.2
334.34515	0.9
340.18750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
63.65192	0.9
71.43259	1.2
78.95891	4.2
92.48646	0.9
101.05881	1.2
102.95681	1.8
103.01497	88.9
111.65724	1.0
114.98473	1.0
130.21950	0.9
152.99599	1.7
163.92900	1.0
164.12384	1.0
171.10239	1.9
242.85484	1.0
389.26434	1.0
620.33069	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53410	6.1
60.82412	6.5
66.92770	6.4
74.85501	7.3
94.42880	7.6
98.22631	27.9
109.06504	7.3
116.92818	16.8
197.98515	7.9
227.32353	7.4
239.18307	6.9
279.56870	7.5
295.23486	7.7
311.22092	10.7
373.78461	8.6
444.19699	8.2
445.20413	18.1
457.20227	10.3
458.21124	10.3
459.22189	13.4
474.20160	21.6
485.19769	12.6
486.20712	28.5
488.17853	8.2
489.23325	13.8
501.22980	100.0
505.16995	7.9
527.21204	10.9
533.26208	37.5
545.22198	49.6
548.20416	16.1
577.24402	20.2
621.24207	21.9
621.41455	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
70.01373	11.4
78.95908	6.5
81.16313	4.4
94.06387	5.0
114.93445	5.1
124.66141	3.9
136.89261	3.7
148.98285	4.5
172.53067	3.6
203.99170	4.4
255.23286	6.8
429.17294	5.5
433.20471	5.7
443.18524	7.9
445.20767	7.5
457.20459	8.5
458.21017	12.0
459.21689	16.1
473.19577	13.9
474.20422	16.8
485.19763	7.3
486.20782	32.6
488.18726	18.5
489.18735	71.4
490.20145	4.6
501.23004	100.0
502.23376	8.2
503.20840	5.5
504.21680	5.4
516.18048	17.8
518.23114	29.2
527.20996	11.1
533.25885	57.5
545.21967	82.0
546.21954	8.6
548.20538	69.1
549.20343	7.7
559.23364	16.2
561.21661	11.2
562.21881	21.2
577.24457	15.3
613.51294	6.1
621.23584	84.2
622.23523	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	621.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28299	2.9
59.01385	100.0
62.93134	3.0
69.70166	3.0
73.94342	3.1
75.00881	3.1
103.01490	69.9
116.92850	11.5
131.12616	3.4
152.99571	4.6
250.47633	3.2
293.19351	3.9
457.72903	3.5
621.26178	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	622.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80134	1.1
51.37260	0.9
59.01374	4.1
69.28957	6.8
72.99299	4.1
80.75943	1.0
84.99348	1.3
87.00881	12.7
101.02468	1.2
103.00417	1.5
109.02937	1.3
112.98804	10.1
123.04533	2.9
130.99872	2.6
133.01451	1.3
133.02940	2.6
135.04527	36.5
137.02425	2.1
147.03127	1.0
149.00920	66.4
149.06071	1.2
151.03990	5.3
160.04012	1.3
161.02406	4.1
161.06091	1.2
163.04007	3.7
179.03506	37.6
185.06120	1.1
196.05313	2.5
197.06093	3.1
211.03984	1.4
212.04811	5.9
213.05518	3.8
219.02936	5.2
224.04939	1.1
240.04305	15.1
240.06560	2.0
240.10225	1.6
241.05191	6.0
242.08234	1.5
243.02997	3.0
257.07678	1.1
266.08148	3.2
274.50085	1.1
284.03198	8.6
284.09283	53.7
285.03995	1.6
285.09567	2.0
293.02994	6.5
302.10345	7.1
310.07294	1.2
311.04105	11.0
328.08249	100.0
329.08466	3.9
339.47174	1.3
370.09250	1.8
398.02762	1.4
442.07690	11.6
460.08817	18.0
461.09183	1.6
471.60666	1.3
474.95157	1.1
538.62335	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66159	3.2
59.01390	15.0
61.98830	11.8
63.55470	2.6
69.10921	18.1
76.08059	2.5
78.01422	3.2
83.04980	2.6
98.21941	6.1
101.02466	3.9
115.64355	2.7
116.92900	4.0
120.99661	5.7
137.02425	5.3
140.53471	2.8
142.97832	3.9
144.73178	3.1
151.00360	8.4
166.02707	32.8
181.05055	62.9
204.04361	5.0
207.55466	2.5
219.06673	11.0
371.10971	5.4
387.10910	10.2
402.13144	10.4
417.15558	100.0
443.04700	2.9
532.13092	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	622.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
59.98189	2.0
62.33665	1.7
70.52956	1.6
73.70971	1.7
76.97582	1.9
91.68159	1.7
101.68916	1.8
102.95676	5.5
103.01499	95.4
135.21489	1.8
169.11945	1.7
207.51421	1.9
279.23050	2.5
310.80377	2.2
532.13007	1.9
653.06567	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	622.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26825	0.4
59.01380	100.0
60.01716	0.7
61.33751	0.4
64.79079	0.4
70.48701	0.8
70.49063	0.5
75.68956	0.5
77.67396	0.4
78.95905	0.9
102.95670	0.8
103.01501	84.9
158.16150	0.5
170.91454	0.4
176.56233	0.4
279.23175	1.6
325.48962	0.4
455.01080	0.5
504.30716	1.2
597.62640	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	622.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	6.0
59.50223	3.2
63.45925	2.8
71.14372	3.8
78.95901	26.7
97.06595	16.2
116.92857	21.8
123.08133	9.3
125.09720	100.0
125.14300	3.1
125.34521	3.1
126.10101	3.1
140.01169	12.2
152.99599	7.9
159.10231	5.2
166.08083	2.8
187.09761	98.1
196.03795	7.1
211.42596	2.9
255.23276	34.6
366.13229	11.3
480.58551	3.3
502.23264	2.8
581.55103	2.9
584.26184	3.1
622.36969	76.4
623.36908	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	623.1616
Annotation	Isorhamnetin-3-Galactoside-6''-Rhamnoside
Peak:m/z	Relative Intensity
55.67049	0.4
65.00349	0.6
69.43779	0.9
69.44160	0.7
83.01382	0.6
83.52914	0.3
89.02467	0.3
107.01392	1.4
108.02219	1.1
125.02481	1.3
128.18080	0.3
135.00894	0.4
135.04556	0.4
136.05273	0.4
137.02484	0.4
145.02957	0.6
148.01706	0.6
151.00378	3.4
153.01921	0.6
157.02908	0.4
159.04532	0.6
163.00337	0.9
171.04517	0.5
178.99908	0.4
183.04562	1.2
187.03981	0.8
188.04756	0.5
199.03993	4.4
201.01955	0.9
205.04997	0.4
205.08823	0.6
208.07471	0.4
211.04018	0.5
215.03574	2.0
216.04271	0.6
226.02727	1.0
227.03476	4.6
228.03989	0.5
229.01349	0.4
242.02264	3.4
243.02979	25.9
244.03699	2.4
254.02248	1.5
255.02980	17.1
256.03479	1.0
257.04535	3.3
259.06342	0.9
270.01706	3.2
271.02481	45.9
272.03143	5.0
285.04083	6.4
286.04797	1.4
287.05557	2.1
299.01974	43.8
300.02744	39.7
301.03168	1.7
313.03534	0.6
314.00507	0.8
314.04324	35.5
315.05103	100.0
316.05453	3.4
356.08075	0.4
357.06125	1.0
389.16174	3.4
577.33344	0.4
623.16162	92.0
624.16418	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	624.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	5.6
61.73102	1.2
61.98854	2.1
69.31747	2.9
69.32134	3.7
72.99318	9.5
76.21149	1.2
84.99296	3.0
87.00876	26.6
93.03472	3.4
96.95993	1.3
103.00364	3.2
107.05039	1.5
109.02954	5.8
112.98807	48.9
112.99606	2.5
121.02958	33.9
123.04552	1.9
130.99838	4.0
133.02989	3.4
134.03720	4.1
135.04523	60.6
136.04895	1.4
137.02438	3.1
139.00394	3.9
149.00916	100.0
152.07175	4.1
161.02448	15.3
162.05644	2.7
163.04021	7.5
164.07173	6.8
173.02408	1.6
176.07162	1.4
179.03491	42.8
191.03467	5.1
205.05190	1.8
213.05815	1.7
219.02979	21.5
231.02989	2.9
241.04849	1.6
242.05804	3.9
254.05930	3.7
255.06523	2.1
256.07306	1.4
282.05148	2.0
284.09311	4.9
286.10837	98.2
287.11191	2.5
293.03012	39.3
311.04083	4.1
312.08786	36.5
330.09888	8.3
418.11417	1.8
462.10370	14.7
634.47046	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	624.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56437	1.2
59.01370	5.3
72.99318	8.7
84.88020	1.1
84.99308	3.7
85.45453	1.2
87.00876	30.4
93.03360	1.1
103.00371	4.9
104.76331	1.3
105.01931	2.7
109.02981	5.8
112.98807	51.4
121.02923	5.7
122.03720	1.3
123.04537	1.8
130.99843	4.2
133.02901	2.7
134.03738	1.7
135.04524	31.4
137.02431	1.6
147.04526	3.4
149.00919	100.0
149.30597	1.2
150.01205	1.5
161.02420	6.9
162.05629	8.8
163.04024	2.0
164.07155	2.7
176.07158	1.3
179.03491	17.0
180.03790	1.5
191.03505	1.7
210.08183	1.2
219.03012	5.1
224.04660	1.4
241.05006	2.7
242.05850	24.1
243.06554	3.9
254.06107	1.3
255.06560	4.7
257.08142	3.7
268.09872	2.0
269.08063	2.8
284.09247	2.5
286.10834	41.2
287.11301	2.3
293.03006	5.9
312.08817	12.4
313.09256	1.6
328.12030	1.9
330.09814	41.7
331.10443	2.2
372.10733	4.6
420.97610	1.3
448.13855	1.7
462.10471	24.9
463.10367	1.3
492.13177	5.7
496.68661	1.4
527.12836	1.4
541.32690	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13583	1.4
59.01378	2.2
69.46276	1.3
72.99329	1.9
75.90649	1.2
84.99323	2.8
87.00870	12.5
91.32110	1.5
109.02963	4.6
112.98814	46.0
121.02969	4.5
122.03719	4.0
130.99863	3.1
133.02948	3.4
134.03754	2.9
135.04521	100.0
136.04921	2.0
137.02544	1.9
139.00385	2.7
149.00925	20.7
151.06404	3.9
152.07173	64.1
152.08411	3.2
161.02444	23.5
163.03999	4.5
176.01166	2.1
177.05568	1.8
179.03511	11.6
191.03461	3.7
203.57147	1.5
219.02971	14.2
225.04202	1.4
228.56418	1.4
249.04028	1.5
251.06842	1.5
274.83618	1.6
286.10855	44.6
287.11145	2.7
293.03055	27.0
312.08881	10.4
416.45074	1.4
418.11606	1.7
462.10367	16.6
504.12616	1.6
624.15698	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	624.2874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10484	0.3
59.01386	1.5
61.98832	100.0
85.28967	0.4
160.08385	0.4
162.83910	0.4
453.72183	0.4
588.22589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.6
59.81657	0.3
61.98833	100.0
62.66930	0.3
62.99426	0.3
68.68566	0.4
69.17220	2.1
73.39489	0.4
74.82130	0.4
76.97630	0.3
91.71635	0.3
105.58224	0.3
120.52378	0.3
122.02378	0.4
163.82870	0.4
242.90225	0.3
292.02377	0.4
436.60599	0.4
440.00296	0.3
558.71759	0.4
628.44611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62701	0.4
59.01383	1.8
61.98830	100.0
69.24899	0.5
69.25316	1.5
78.15907	0.4
80.30572	0.4
80.66442	0.4
83.42802	0.3
98.22595	0.8
198.14951	0.4
320.53687	0.4
341.29608	0.3
386.36908	0.4
588.18011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59272	0.8
55.47330	0.8
59.01380	100.0
60.05520	1.0
63.18801	1.1
63.95495	0.7
64.82646	0.7
69.35024	1.5
69.35389	4.3
74.94275	1.1
78.95889	1.3
103.01501	88.5
116.82354	0.8
131.83208	0.8
154.75340	0.8
156.72092	0.8
171.12318	0.8
281.24823	1.7
320.20892	0.8
377.72809	0.8
404.62003	0.9
576.31366	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76109	0.4
59.01378	0.4
60.77978	0.4
63.02411	0.6
65.00323	0.6
71.01386	0.9
72.99309	0.6
81.38371	0.4
87.00870	2.0
107.01400	1.5
109.02964	1.2
112.98821	5.2
113.99170	0.7
115.00389	2.1
121.02968	1.1
125.02394	0.5
133.01433	7.9
133.02985	1.0
134.03650	0.6
135.04527	10.8
136.04860	3.3
137.02419	0.6
139.00339	0.5
149.00912	3.8
149.02365	0.6
151.00377	8.7
152.07170	5.0
153.07506	1.7
161.02432	1.5
162.02766	0.5
163.00360	0.6
163.03992	1.0
165.01938	0.6
169.01439	0.6
171.04541	0.7
174.98941	0.4
175.00360	1.3
175.02725	0.8
178.99850	1.5
179.03485	4.1
189.01993	0.5
191.03391	0.5
193.01538	0.6
199.03999	3.2
201.01884	1.3
203.03493	0.8
211.04013	0.5
215.03529	1.5
219.02956	1.8
220.03239	0.7
226.02814	1.0
227.03531	2.6
229.05080	0.5
243.02977	3.9
254.02341	0.7
255.02887	2.1
271.02475	55.7
272.02930	2.3
285.03976	0.5
286.10938	2.3
287.11072	2.4
293.03036	2.1
294.03290	1.3
299.01965	100.0
300.02652	14.3
301.03525	44.4
302.04047	1.0
313.03500	1.2
313.09244	0.6
331.10172	0.5
343.04517	1.3
462.08032	20.7
463.08826	30.2
464.09256	1.4
505.10068	0.9
625.14111	76.6
626.14313	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	625.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29160	0.4
59.01369	0.7
63.02393	1.0
65.00328	2.6
70.52844	0.3
70.73383	0.6
71.01400	0.3
83.01392	1.5
87.00874	0.7
89.02448	0.7
89.86864	0.3
95.42052	0.4
102.84547	0.4
102.99006	0.4
106.74987	0.4
107.01398	5.8
108.02190	1.1
109.02945	1.0
112.98833	1.7
120.04880	0.3
121.02952	5.6
123.31165	0.3
125.02489	0.4
135.00845	0.7
135.04500	2.3
136.04857	0.6
137.02344	0.4
139.04088	0.3
148.01659	0.6
149.00858	0.6
149.02458	0.7
151.00371	24.4
152.07156	1.3
153.07513	0.4
156.41315	0.4
159.04483	0.5
161.02414	0.6
163.00414	1.6
163.04068	0.5
164.01228	0.5
169.01385	0.8
172.47079	0.4
178.99858	11.0
183.04564	0.6
192.00534	0.5
199.03966	0.5
201.05589	0.4
215.03508	0.7
226.02629	0.8
227.03375	1.8
229.05037	0.7
243.02942	5.3
245.04550	0.8
254.02222	1.4
255.02980	15.7
256.03525	0.6
257.04562	0.4
271.02490	35.3
272.02844	2.1
273.04034	1.4
283.02493	1.0
286.10901	0.6
287.11130	0.7
293.03052	0.6
299.01974	10.3
300.02744	68.1
301.03516	90.0
302.03900	3.2
343.04501	0.5
463.08820	100.0
464.09119	5.2
625.14069	9.9
626.14203	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95506	0.5
59.01383	0.8
63.02431	0.8
65.00357	2.2
70.80727	0.9
81.37822	0.5
83.01451	1.4
94.15043	0.5
97.33773	0.5
107.01389	4.6
107.01922	0.5
108.02197	0.6
109.02957	1.3
111.59937	0.5
112.98852	0.9
121.02943	3.4
135.04556	1.0
136.04848	0.5
146.20343	0.6
151.00375	23.6
152.07159	0.6
161.02365	0.7
163.00400	0.9
164.01154	0.6
178.99854	11.6
187.04131	0.7
193.01532	1.0
199.04022	1.7
211.03944	1.0
215.03479	0.6
227.03522	1.6
227.43631	0.6
229.05107	1.1
243.03001	5.7
245.04591	1.1
254.02328	0.9
255.02989	13.0
256.03546	0.8
271.02493	22.5
272.03003	1.3
273.04153	1.5
299.01978	14.0
299.99170	1.3
300.02762	59.1
301.03531	72.5
302.03891	2.1
462.08130	2.0
463.08853	100.0
464.09140	4.7
625.14117	20.4
626.14294	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2665
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
61.98823	2.1
70.08062	3.0
90.10319	1.1
98.21924	2.1
103.39000	1.3
134.06036	1.1
135.48772	1.2
161.62799	1.0
201.57092	1.0
211.35699	1.4
213.10330	7.6
299.13959	2.5
300.68723	1.2
315.19907	1.1
328.11023	1.7
342.12466	2.0
355.09769	1.4
368.10141	1.8
405.13614	1.6
418.10654	1.2
433.12946	4.3
434.13507	2.4
439.21454	1.4
447.14539	3.9
448.15491	8.8
449.15991	6.7
463.17792	22.2
464.18301	2.4
477.19550	2.0
478.20102	3.1
479.20822	16.1
491.17245	28.4
492.17465	1.6
505.18707	2.9
506.19574	4.8
507.20068	2.3
523.19849	3.5
538.22241	28.6
539.22961	8.1
593.24109	8.8
625.26678	100.0
626.27136	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	627.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56821	2.1
66.94456	2.6
69.41346	4.2
69.41750	7.9
71.01377	6.7
73.02940	6.6
77.65308	2.1
85.02936	4.5
87.00883	33.0
95.49756	2.9
97.02973	2.3
99.00895	7.3
100.01664	3.4
101.02459	2.4
104.00526	2.5
104.98386	2.2
109.03030	2.7
111.00873	16.1
112.98819	4.0
123.00853	6.3
131.03479	2.7
137.02441	10.6
138.03223	2.6
142.99844	4.9
149.02365	2.7
151.04021	2.9
161.02419	3.2
163.03951	3.5
164.04787	7.4
165.01935	96.0
166.02657	8.9
173.00909	9.7
174.01726	3.1
176.04739	6.4
178.06297	5.4
179.03468	25.5
179.07121	7.6
180.04286	63.5
181.05072	11.8
190.02721	2.6
191.03494	5.3
191.07104	4.3
194.05887	11.8
195.06616	82.9
196.06953	3.8
203.03416	3.1
205.05040	6.2
206.05771	5.1
209.08237	10.5
210.05334	14.6
219.02983	3.4
221.08112	5.2
225.07657	44.7
235.73705	2.2
247.02356	3.1
248.28157	2.4
249.07768	4.2
261.04001	2.3
262.04788	11.0
265.07236	4.1
276.06299	3.8
277.07239	16.4
337.05646	3.3
337.09311	39.7
399.14395	5.4
443.13385	3.0
491.15515	20.2
503.15573	5.6
515.15784	3.2
551.18146	4.3
563.17584	9.4
609.18335	18.8
627.19305	100.0
628.19464	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	627.2093
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
55.09570	0.4
58.01987	0.5
59.01367	1.5
73.02934	1.2
79.89327	0.5
97.75321	0.4
100.74509	0.5
103.01472	0.5
146.51697	0.5
280.16751	0.5
293.83191	0.6
328.55750	0.4
437.12338	0.7
438.13416	1.9
438.19681	0.5
451.13745	1.5
452.14902	4.3
453.15399	0.6
466.16547	0.8
467.16733	0.5
479.17477	1.1
480.14490	1.9
481.15030	8.6
482.15475	0.7
493.15161	1.8
494.16061	1.2
495.16757	17.7
496.16937	2.0
503.12833	0.5
507.16443	1.2
508.18146	3.4
509.18015	1.3
521.14703	0.9
522.15332	1.0
523.20032	1.3
535.16333	2.6
536.17017	2.9
540.16809	4.4
551.19342	37.5
552.19708	3.9
554.18323	1.7
572.15448	1.8
586.17114	1.6
595.18542	6.4
627.20972	100.0
628.21185	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	627.2097
Annotation	Chlorophyllide b
Peak:m/z	Relative Intensity
69.30220	1.6
69.30582	0.5
73.02914	0.9
74.22661	0.3
75.28574	0.3
80.11430	0.3
85.77138	0.3
107.79116	0.3
437.12509	1.0
438.13239	1.3
451.14032	1.2
452.14890	4.5
465.15982	0.6
466.16309	0.7
469.60126	0.4
470.16119	0.4
479.17419	0.7
480.14520	1.4
481.14996	8.4
482.15958	0.8
493.15323	0.9
494.15762	1.2
495.16763	16.2
496.17160	2.0
498.15457	0.4
507.16888	1.1
508.18060	3.6
509.18277	1.7
521.14075	0.7
522.15265	0.7
523.16412	0.9
523.19519	1.0
524.20142	0.4
526.14709	0.6
533.18750	0.6
535.16382	2.4
536.16980	3.6
537.16431	0.4
540.16675	4.3
551.19354	41.7
552.19604	4.2
553.17499	0.8
554.18243	2.3
555.18811	1.3
567.19043	0.5
568.16687	0.5
572.15656	1.4
586.17041	1.1
595.18335	9.0
596.18542	0.7
627.20966	100.0
628.21271	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	627.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02415	0.8
69.47613	2.5
69.48006	1.3
72.91022	0.8
86.58672	0.8
91.57642	0.9
98.21867	0.8
124.97092	0.8
171.13876	1.0
173.17659	0.9
220.09570	0.9
428.16785	0.9
429.17261	1.3
430.17703	2.5
456.17310	1.1
472.18692	1.4
473.19904	15.1
476.16171	1.0
490.20206	2.8
494.16736	1.2
500.18356	6.0
507.22009	1.3
508.18835	1.8
513.19519	5.9
522.17102	1.4
523.20770	3.4
525.36707	1.1
527.20825	3.4
528.21631	11.5
532.21234	3.8
533.20166	2.7
535.17627	1.9
536.18054	2.3
551.20642	100.0
552.21124	5.7
577.03857	1.1
583.19983	1.2
592.05066	1.0
595.19659	76.2
596.19922	4.5
627.22235	20.7
628.22296	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19274	12.3
59.01378	100.0
70.78341	20.2
71.01386	61.7
89.02429	88.1
92.93236	11.6
101.02467	31.3
113.02496	27.8
119.03525	35.9
125.18964	12.5
161.02423	25.5
162.03230	30.0
177.05553	26.5
179.03400	29.2
179.05626	28.1
191.07324	12.0
194.05798	39.4
209.08199	29.7
404.70813	13.9
474.77106	14.9
635.69019	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	627.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49200	2.0
59.01381	62.7
69.13058	7.8
69.13461	4.3
77.28526	1.9
85.21867	2.2
91.45992	1.9
93.03452	2.5
114.98381	2.0
121.02977	3.0
122.03761	5.1
136.65266	1.9
138.78189	2.2
139.77779	2.1
139.78850	1.9
149.02469	21.6
150.03235	57.5
161.02470	6.0
164.04791	11.2
165.05577	75.1
176.04765	3.1
179.03487	9.3
180.04337	4.5
185.50090	2.1
191.07266	2.6
194.05856	11.5
195.06630	100.0
209.08200	43.3
241.01031	2.0
272.83148	2.3
287.00104	2.1
289.94757	2.1
342.11200	6.9
357.13412	46.5
405.15543	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07550	4.0
59.01381	71.9
61.98843	4.8
69.54622	12.5
71.01385	40.2
73.02950	21.6
79.64108	4.2
85.02953	7.4
87.00866	5.4
89.02451	62.8
98.21855	8.7
99.00882	18.5
101.02449	24.1
115.03982	7.8
116.97250	5.6
119.03484	5.1
119.81583	4.8
125.02448	7.8
127.80342	4.2
131.03517	11.2
143.03523	8.8
149.04543	24.9
163.06194	7.9
191.05670	4.9
205.07104	9.6
289.21701	65.6
293.08789	26.8
332.16129	4.2
333.16989	8.7
333.20706	100.0
565.20844	9.8
627.34045	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	13.2
61.98831	100.0
71.45087	1.7
73.02949	1.7
92.95354	1.1
93.18470	1.6
112.24722	1.1
210.09584	1.1
224.87598	1.2
240.29749	1.4
276.60928	1.3
386.79044	1.5
530.86066	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.1
63.41923	1.6
70.25510	1.3
79.60604	1.4
123.08116	1.8
125.09697	2.9
152.99576	1.6
155.10796	1.8
156.82542	1.4
171.10248	4.0
199.09749	3.8
200.10530	4.6
201.11383	4.4
247.20428	2.9
291.19519	8.3
309.20709	100.0
310.21109	5.9
403.63074	1.8
525.62537	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
61.98828	100.0
66.60007	0.7
76.14794	0.6
81.04700	0.7
92.92832	0.6
107.26975	0.6
134.48746	0.7
153.26003	0.6
155.54346	0.8
155.56924	0.9
173.03464	0.6
194.59248	0.7
198.08607	0.6
227.15091	0.6
307.75528	0.7
415.14667	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79695	2.4
59.01380	37.8
61.98830	76.4
71.01379	11.2
73.02934	13.0
85.02975	4.3
89.02434	7.2
92.02905	2.2
96.96000	13.9
101.02461	12.3
113.02457	8.3
199.04665	2.4
523.29108	100.0
524.29333	6.8
596.32300	2.6
620.87665	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	630.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03980	0.5
58.00577	0.6
59.01382	9.9
61.98831	96.2
69.03450	6.3
70.98739	0.6
71.01385	2.7
71.05029	0.5
73.02945	10.2
83.01410	1.2
85.02985	0.7
87.00848	0.4
95.63641	0.4
101.02442	4.0
113.02427	1.2
117.34263	0.4
125.02438	1.2
140.85396	0.5
143.03491	0.9
155.03479	0.4
203.05621	1.6
247.20708	2.0
259.20758	0.8
275.23792	0.9
319.22769	100.0
320.23111	3.1
333.24313	4.4
361.23856	6.2
373.24271	0.5
391.25076	0.9
392.07706	0.5
429.49005	0.5
523.29205	1.3
556.27692	0.6
642.58368	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.6
59.01375	3.1
73.02943	3.3
73.84412	0.3
75.00870	10.5
75.44025	0.3
78.95910	0.6
99.00871	4.6
99.92580	11.0
115.04006	0.7
116.03545	0.6
116.07163	0.4
116.92858	100.0
116.97247	4.3
117.01938	12.3
117.05573	0.9
117.92874	2.4
140.97269	0.3
219.61649	0.3
224.15205	0.3
277.21616	0.6
452.93326	0.3
505.26782	0.3
631.86255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63974	0.5
59.01368	2.0
61.45947	0.5
61.98819	0.9
66.52206	0.5
70.46714	0.6
70.47054	1.0
73.02952	1.8
75.00868	3.9
99.00880	2.6
99.92584	11.8
116.19633	0.5
116.92860	100.0
116.97251	16.9
117.01937	4.9
117.92877	2.3
168.94635	0.6
269.35229	0.5
335.90387	0.6
499.69818	0.5
533.98468	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70823	1.8
54.81180	1.7
60.51941	1.7
61.98831	9.7
69.28954	3.6
69.29343	6.5
78.95909	3.9
79.38077	2.0
139.11261	4.0
154.97112	2.1
159.80013	2.5
161.46796	2.2
171.10278	19.4
185.11826	3.9
193.12354	3.2
201.11345	3.0
217.05963	1.9
275.20081	4.6
293.21185	12.3
311.22284	100.0
312.22806	2.7
319.22653	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	632.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02981	5.3
60.02378	0.7
60.52467	0.7
61.98817	1.3
70.02979	0.9
70.86854	1.0
74.02472	11.4
81.04594	0.8
82.02983	1.2
84.04531	1.1
86.02479	4.5
86.06101	1.0
87.05650	2.8
96.96029	1.5
97.04070	1.8
99.05650	8.0
101.07210	1.1
102.05585	0.8
109.04076	1.0
112.04063	1.3
116.01731	0.9
119.97865	0.7
123.05655	1.3
127.05156	1.7
128.03539	25.7
131.04619	0.9
132.49202	0.7
135.05661	2.3
141.06726	2.4
143.04630	34.1
145.06157	1.5
146.04581	2.6
153.06691	2.7
157.82719	0.7
160.00742	8.8
166.09879	1.8
167.04587	2.6
167.08240	1.4
177.03389	3.7
179.04623	7.8
181.06190	1.2
185.05685	1.5
189.05545	0.8
192.07854	1.3
197.05693	1.0
210.08867	7.0
212.94044	0.7
214.58203	0.8
217.40491	0.7
250.65332	0.7
254.07829	6.6
263.20908	0.9
272.08908	13.4
277.01581	0.8
288.06580	5.4
306.07654	100.0
307.04602	0.8
307.07916	3.4
308.70612	0.8
339.00031	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63174	0.5
62.96411	0.5
64.61079	0.5
78.95905	100.0
79.43938	0.5
96.96964	28.2
107.03645	1.8
125.03571	10.7
134.04733	32.7
158.92543	7.0
176.99568	7.1
195.00636	11.8
214.01350	6.4
256.96213	3.3
274.97293	1.0
303.04001	1.7
312.04929	1.0
321.04916	10.9
330.05768	0.6
383.00308	1.3
392.01733	0.7
401.01620	3.2
410.08658	1.3
446.89200	0.5
499.05283	2.0
508.06244	1.2
536.13293	0.6
554.14032	1.7
616.08917	0.6
634.10675	39.3
635.11206	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	635.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56777	0.2
59.01371	1.2
72.99298	0.4
84.99307	0.6
87.00877	3.1
95.70306	0.3
96.99259	0.3
103.00349	0.4
107.05025	0.6
109.02960	1.8
111.00933	0.4
112.98811	9.1
117.03491	0.3
119.05003	0.4
127.00368	0.3
130.99854	0.8
133.02946	1.5
134.03731	2.2
135.04523	66.2
136.04869	1.4
137.02440	1.0
139.00345	1.7
149.00905	2.8
149.02103	0.4
149.06084	0.9
151.04012	0.6
159.04492	0.4
161.02451	4.8
163.04001	2.5
173.02499	0.3
175.03983	0.3
177.05573	1.4
178.05119	0.4
179.03488	100.0
180.03830	2.6
187.03923	0.6
191.03503	2.2
193.04938	0.3
205.05151	0.4
215.74496	0.4
219.02983	7.9
220.03386	0.4
221.04512	1.0
231.03021	1.0
233.03912	0.3
263.10318	0.4
275.01968	0.4
279.13525	1.2
293.03024	14.0
294.03384	0.6
311.04019	2.2
341.08749	43.2
342.09171	1.9
427.18848	0.4
455.08481	2.7
473.09351	15.5
474.09613	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.4
71.01371	0.3
73.02930	1.4
75.00874	2.0
80.70924	0.2
89.02454	0.8
92.92924	0.2
96.96017	0.7
98.21839	0.4
99.00884	0.7
99.92586	9.3
101.02438	0.3
113.06104	0.2
114.93476	0.4
116.92866	100.0
116.97256	4.8
117.01939	3.1
117.92874	2.1
131.07137	0.7
149.02414	0.3
149.04478	0.2
165.01871	0.2
198.66434	0.2
215.67598	0.2
385.11380	0.3
443.13248	0.3
517.22913	0.3
578.92853	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.4
65.02782	0.2
69.07922	0.6
69.08328	0.5
70.01502	0.2
71.01374	0.2
73.02968	0.4
75.00862	0.4
89.02437	0.2
99.00906	0.2
99.41742	0.2
99.92584	8.4
112.55548	0.2
112.98707	0.2
114.93413	0.5
116.92862	100.0
116.97239	2.6
117.01910	1.1
117.92848	2.3
123.73631	0.2
139.41890	0.2
149.04578	0.3
162.83980	0.3
182.14246	0.2
249.01494	0.2
290.16214	0.2
373.01877	0.2
408.02710	0.2
647.02625	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.251
Annotation	CHEMBL412737
Peak:m/z	Relative Intensity
52.36624	0.7
54.49526	0.6
67.63205	0.7
69.78493	1.4
69.78852	1.5
82.13232	0.6
86.08848	0.6
98.22639	1.5
109.02057	0.7
121.75190	0.8
148.93118	0.7
206.15875	0.7
276.65662	0.7
317.21112	1.0
357.82382	0.7
388.17130	0.8
419.18771	1.7
430.13739	1.1
431.19351	5.0
443.14218	0.8
444.15704	1.3
445.16110	3.5
458.17511	5.3
459.13876	1.5
459.19128	1.0
471.17914	1.0
473.16092	2.8
474.16635	8.3
475.17783	2.2
487.17490	1.4
488.18616	4.8
489.19296	4.2
490.19968	7.6
501.19009	1.7
505.22348	5.2
516.17773	1.3
529.19263	1.1
548.20892	0.8
549.21716	1.0
559.23529	1.4
560.20319	1.6
575.22864	10.9
576.23663	6.6
577.23853	0.9
603.22235	2.0
635.25092	100.0
636.25226	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	635.3072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21038	1.6
52.36452	1.5
55.86422	1.4
59.01392	2.8
69.73341	5.3
69.73696	1.7
72.99307	5.4
82.22058	1.9
84.99307	7.4
87.00877	21.3
89.20331	1.4
98.21973	2.1
104.33441	1.6
112.93741	1.7
112.98817	100.0
116.87019	1.9
117.03508	2.2
119.05032	71.3
145.02963	15.3
147.04503	5.8
156.88908	1.7
161.06091	3.8
163.04018	62.3
175.04002	8.1
185.11880	3.8
202.95473	1.6
203.03513	25.3
215.03481	4.2
233.04628	3.1
259.02356	2.4
275.81311	1.6
277.03543	59.2
327.25269	7.5
339.25424	20.8
357.26456	52.4
365.89664	2.2
371.28122	4.3
396.07254	1.7
399.27438	5.0
406.88333	1.7
413.73135	1.7
453.24606	3.6
471.25937	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	636.266
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39500	0.7
58.02724	0.7
58.02975	9.3
67.63115	0.7
68.55546	0.6
69.18790	3.9
70.02982	4.0
72.00910	2.2
74.21674	0.7
85.82999	0.6
89.42867	0.7
91.05537	6.6
116.92866	1.7
147.04527	17.6
164.07166	51.9
165.07489	0.9
193.55199	0.7
206.08214	100.0
207.08492	3.0
233.42624	0.8
250.07234	1.6
374.03152	0.7
439.63333	0.7
502.05411	0.8
630.91260	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.12178	0.9
61.98822	1.1
67.84800	0.9
69.39090	1.5
69.39497	3.0
78.95897	2.1
93.45199	1.0
96.17239	0.9
98.21835	1.8
119.25938	0.9
141.01701	74.7
157.75896	0.9
255.23305	3.8
257.77045	1.0
298.67996	1.0
362.22284	1.1
480.31052	2.6
606.78662	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23945	1.5
59.01375	2.0
60.59162	1.8
61.10038	1.5
67.23463	1.4
81.45480	1.6
117.10124	2.0
162.06729	1.7
173.64705	2.0
273.22238	8.3
275.67657	2.0
317.21225	49.0
319.22800	100.0
320.23129	4.7
335.18619	3.0
335.22363	6.8
452.23615	2.3
637.44830	85.1
638.44983	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	637.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	1.0
70.13020	3.0
83.05029	1.5
212.09967	1.2
259.20755	1.8
261.22192	15.0
273.22235	6.9
289.21921	1.6
291.23312	1.6
298.22400	1.2
593.45941	4.4
619.43848	3.3
637.44727	100.0
638.45288	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	637.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65664	1.1
52.52757	1.1
69.53919	4.4
69.54280	2.0
73.53639	1.2
83.05022	2.1
97.06579	1.8
98.36950	1.1
124.08544	1.1
141.89636	1.1
146.76096	1.2
176.41957	1.2
261.22223	3.5
273.22226	11.4
291.23291	1.5
301.21683	2.0
303.19644	1.6
364.64478	1.5
452.51401	1.4
593.45605	4.3
614.73065	1.3
619.43774	3.6
637.44714	100.0
638.44867	8.4
649.74048	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06522	0.3
59.01382	0.7
61.98829	100.0
71.44426	0.3
81.03489	0.3
83.05028	1.1
96.96021	0.4
102.35381	0.3
116.92896	0.3
149.02477	0.4
152.55127	0.3
154.09424	0.3
165.40860	0.3
208.03798	0.4
223.06142	1.1
224.06517	0.6
237.07698	0.3
243.17377	0.3
267.86520	0.3
371.07605	0.3
476.16541	0.4
637.44427	1.0
637.94708	1.1
638.44702	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86231	0.6
58.02975	9.4
69.65652	0.7
70.02982	5.1
71.19960	0.6
72.00910	3.7
75.37804	0.7
91.05524	8.9
116.92861	0.7
119.05027	1.2
122.54488	0.8
147.04521	17.9
163.03998	1.6
164.07161	49.5
165.07516	0.9
206.08212	100.0
207.08563	3.4
224.93947	0.7
250.07167	1.4
305.90128	0.7
596.62787	0.7
602.23773	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1566
Annotation	Isorhamnetin 3-glucosyl-(1->3)-galactoside
Peak:m/z	Relative Intensity
53.83548	1.1
56.59578	1.0
57.03437	4.1
71.01388	11.9
75.55902	0.9
77.06600	0.9
84.45400	0.9
85.02950	3.3
96.99306	6.7
97.22736	0.9
114.01972	2.1
115.00404	1.4
116.05061	1.2
120.57413	0.8
125.02454	7.2
128.05104	3.1
129.01947	41.1
132.04539	3.7
138.87170	0.9
141.41635	1.1
144.04541	9.0
146.04810	1.2
146.06114	13.3
151.00363	1.7
157.87172	0.9
162.05582	2.5
170.04846	1.2
171.05641	3.0
172.04039	3.4
189.06702	37.1
197.18472	0.9
198.96712	1.1
199.08800	2.1
214.02747	1.8
222.58815	0.9
241.01472	1.5
242.02245	17.0
243.07721	2.0
245.00874	1.1
270.01657	24.4
270.04434	1.7
271.02310	3.1
280.13428	1.1
285.04007	11.4
287.06723	16.1
298.01184	6.9
299.01935	3.2
313.03537	100.0
314.04105	9.9
315.05133	3.8
319.09329	29.1
476.09601	4.0
477.10394	2.7
554.23480	1.1
639.15662	69.6
640.16040	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	639.1565
Annotation	Isorhamnetin 3-laminaribioside
Peak:m/z	Relative Intensity
53.42228	0.3
54.21233	0.4
59.01388	0.5
61.11633	0.4
63.02398	0.6
65.00347	0.7
83.01389	0.4
84.83083	0.3
106.00625	0.4
107.01419	1.4
123.04539	0.5
125.02412	0.9
128.19991	0.4
135.04530	2.2
136.01689	0.6
149.00958	0.5
149.99551	0.5
151.00368	5.5
161.02515	0.9
163.00383	0.7
164.01140	0.9
165.31067	0.4
178.99854	0.6
179.03496	1.2
184.05406	0.6
186.03253	0.8
198.03096	0.5
199.03998	0.5
201.01952	0.6
214.02728	2.8
215.03502	0.8
226.02798	1.1
227.03519	1.6
228.04427	0.6
239.53751	0.4
241.01459	2.1
242.02194	24.8
243.02945	7.5
245.00871	1.6
254.02223	1.0
255.03058	2.6
257.04514	1.4
268.04166	0.5
270.01688	33.3
271.02429	9.4
272.03201	1.4
282.01556	0.6
283.02325	0.6
285.04044	12.2
286.04758	1.9
289.07056	0.9
293.03134	0.5
298.01196	8.3
299.01999	8.0
299.05466	1.0
300.02740	27.9
301.03036	0.8
311.05661	0.4
312.02728	1.0
313.03540	100.0
314.04224	18.0
315.05099	70.5
316.05359	3.3
327.05170	1.3
328.05609	0.5
337.07175	0.6
342.03763	0.5
356.05356	0.4
357.06125	4.3
381.05850	0.8
461.07272	4.4
476.09555	14.7
477.10367	80.6
478.10675	4.3
519.11462	5.0
561.12598	0.8
639.15662	41.5
640.16016	3.7
665.57025	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1571
Annotation	Quercetin 3-methyl ether 7-galactosyl-(1->4)-glucoside
Peak:m/z	Relative Intensity
54.53682	0.7
63.02425	1.2
69.48483	2.6
83.01398	1.0
87.00900	1.1
89.72501	0.7
98.21829	1.4
107.01426	2.9
112.98825	1.9
133.01457	2.8
133.03026	1.4
135.04485	4.3
136.04868	0.8
137.02475	1.0
149.00963	2.8
151.00381	8.8
161.02441	1.4
163.00443	2.3
164.01143	1.3
179.03549	2.8
179.56664	0.8
180.04126	1.2
200.09398	0.9
214.02740	1.5
226.02873	0.7
227.03513	1.5
241.01601	1.0
242.02228	16.9
242.04539	1.4
243.02934	4.0
245.01039	1.4
250.98845	0.8
255.02963	1.7
270.01706	23.0
271.02444	12.7
272.03244	0.9
283.02362	1.1
284.03336	1.0
285.04044	11.2
286.04791	1.2
287.05743	2.5
289.07510	0.8
293.03198	1.0
298.01175	6.1
298.98480	1.1
299.01990	16.8
299.05362	1.1
300.02750	15.8
301.03186	1.1
313.03540	69.1
314.04260	25.9
315.05084	49.6
316.05542	2.3
327.04999	1.9
331.69244	0.8
357.06152	4.8
368.43695	1.0
461.06924	2.0
462.07886	1.0
476.09515	10.0
477.10376	100.0
478.10620	6.4
519.11145	3.9
639.15625	33.9
640.16357	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	639.266
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	1.5
59.01378	23.1
61.98833	1.0
63.21774	0.9
68.75668	0.6
69.65193	2.2
71.01378	11.4
72.99312	0.7
73.02946	3.4
83.01378	2.0
85.02938	4.4
87.00875	5.1
89.02450	9.8
97.02928	1.0
99.00878	1.0
101.02451	6.3
113.02447	2.0
123.04531	1.1
125.02460	7.4
126.02772	0.8
131.03506	12.6
135.04480	1.2
141.01707	6.8
149.04607	1.2
151.03970	1.6
161.02466	2.1
165.09236	3.1
190.46646	0.8
191.05632	4.5
205.99680	0.8
207.11835	0.6
211.69362	0.7
223.96869	0.8
245.15448	15.0
289.14441	2.6
345.16959	1.3
415.66837	0.8
453.18140	0.8
562.21545	0.9
562.71460	2.4
639.26593	100.0
640.26758	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	640.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01077	0.6
59.01382	24.5
61.98830	61.9
67.52036	0.5
69.06752	0.7
69.07154	2.5
71.01390	2.9
72.99320	0.6
73.02951	1.7
85.02947	2.2
89.02445	2.7
98.22700	0.9
99.49297	0.5
101.02448	1.7
103.04017	1.2
117.03442	2.9
119.04931	0.5
131.01407	1.0
161.02452	0.9
173.02452	1.0
175.00374	5.0
225.27959	0.5
253.05103	0.6
265.05194	0.8
268.03668	0.7
269.04590	5.4
281.04575	5.2
282.05298	10.1
283.06052	4.9
293.04565	58.4
294.05008	2.5
295.05951	2.9
308.03162	0.6
309.04025	0.5
310.04807	0.9
311.02295	0.8
311.05597	9.0
312.06198	0.6
314.04272	2.2
323.05569	7.0
325.07242	1.0
335.05536	1.6
341.06699	5.3
352.55615	0.5
353.06653	2.1
355.08356	0.6
413.08786	14.2
414.09134	0.6
415.60522	0.6
435.32260	0.5
457.11246	3.8
463.36160	0.6
577.15613	100.0
578.15997	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	641.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54728	1.8
55.34324	1.7
57.36092	1.8
58.04179	1.8
59.01385	13.5
69.91753	4.5
70.93304	1.7
83.88593	1.8
84.62889	1.7
87.00877	6.9
95.05015	3.5
103.00372	6.7
103.01504	2.0
105.03445	15.2
108.63269	2.0
112.98817	23.6
116.92803	2.2
130.99873	2.5
133.02957	89.6
135.04527	41.9
153.01950	2.3
177.01932	100.0
177.03493	4.9
178.82864	2.2
179.03496	58.5
185.17825	2.1
373.48959	2.0
432.36493	2.1
553.09155	2.1
622.87897	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	641.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00290	1.1
59.01381	14.8
61.98824	4.1
65.92447	1.3
69.03453	1.4
69.29295	3.6
69.29697	2.3
69.49094	1.2
71.01068	1.0
71.01382	7.1
71.05039	1.2
72.60012	1.0
73.02939	1.5
85.02968	1.2
87.00849	1.6
89.02441	8.6
97.02954	3.6
99.00892	12.1
101.02459	3.1
109.06642	1.3
113.02431	2.5
125.09721	2.5
126.58728	1.4
163.11290	5.4
168.68459	1.2
179.05585	1.4
181.12370	11.1
199.13405	8.3
207.10263	18.5
221.06607	1.5
225.11331	33.8
243.12355	21.1
305.93027	1.3
400.14740	1.7
590.98999	1.7
641.26630	100.0
642.26996	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	642.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83188	0.1
59.01371	1.0
61.98830	100.0
69.51347	0.5
76.10398	0.2
91.36485	0.2
98.21855	0.4
101.27749	0.2
179.03627	0.2
193.70308	0.2
209.08200	0.5
210.08699	0.2
237.72314	0.2
252.93735	0.2
507.02664	0.2
526.73889	0.2
614.99597	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98995	1.3
59.01379	21.6
61.98829	100.0
71.01379	10.0
71.45853	1.3
84.17935	1.4
86.56400	1.4
89.02437	8.2
96.96032	2.0
101.02455	3.5
113.02424	3.4
119.03565	2.3
152.04579	1.5
172.52573	1.5
247.08722	2.4
275.08148	1.6
277.09714	1.7
281.89807	1.5
307.10840	2.9
335.10345	13.1
339.09772	5.2
367.13031	33.9
368.13019	2.0
406.84207	1.4
497.21954	1.5
511.28473	1.5
547.19385	64.7
548.19934	3.4
568.29211	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	643.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
58.25744	0.5
59.01379	100.0
60.01711	0.5
60.54341	0.5
61.18487	0.5
69.14730	1.3
69.15137	1.6
77.00069	0.5
82.92788	0.5
90.95873	0.4
96.14100	0.4
98.21901	0.9
107.58897	0.4
125.93704	0.4
132.98212	1.2
134.97014	0.8
157.03569	5.7
159.01476	3.8
174.99240	24.0
175.99661	0.9
176.98116	9.2
177.98457	0.5
201.02547	70.8
202.02580	2.3
217.00299	97.7
218.00633	1.8
225.56136	0.5
276.98203	1.1
318.92996	0.6
341.99979	0.6
342.99619	0.9
343.03714	18.0
344.03790	0.9
356.90634	0.6
359.01456	85.6
360.01700	3.3
501.02609	8.7
502.02756	0.8
513.68304	0.6
531.36169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06531	1.3
58.73206	1.3
59.01078	1.8
59.01379	33.7
71.01366	6.3
73.02939	3.1
85.02958	4.0
89.02472	1.3
101.02429	1.3
103.04016	1.6
106.37666	1.7
108.52280	1.3
124.80150	1.3
132.50076	1.3
162.26546	1.4
173.76407	1.3
179.03484	1.6
207.97772	1.3
280.03711	3.0
297.04114	5.3
298.04855	5.9
299.05670	3.1
307.02283	2.6
308.03284	17.0
309.04037	3.1
311.05685	2.7
312.06522	1.9
323.05573	35.1
324.05743	1.5
341.06696	6.4
353.06497	4.1
371.07721	4.0
383.07709	1.8
443.09906	14.6
467.99838	1.6
537.85565	1.3
607.16687	100.0
608.16833	7.7
643.32697	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	3.6
70.88178	4.4
80.15937	2.8
128.37775	2.5
296.43176	2.5
452.11554	3.2
497.14655	3.6
510.15402	10.1
511.16153	12.1
538.15033	7.2
544.18512	3.7
567.19098	3.2
583.18140	4.6
643.20477	100.0
644.20917	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	643.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53694	1.5
61.98820	5.2
62.58756	1.4
67.83723	1.5
71.43289	1.8
126.38725	1.4
157.54466	1.7
270.25079	1.6
279.23331	6.4
316.95782	1.7
341.09302	1.6
399.95795	1.8
465.15192	1.7
476.27737	2.3
496.13690	3.5
497.14490	2.8
507.16647	1.9
508.17590	5.6
510.15503	4.4
511.16107	9.8
512.16913	4.3
513.16974	2.6
523.19586	2.1
544.16296	2.8
561.25604	2.5
570.17456	2.0
571.18359	4.8
643.20502	100.0
644.20337	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	643.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03699	2.3
59.01378	4.6
61.98823	7.6
71.09352	2.1
80.91661	5.3
92.41209	2.1
96.00802	2.2
109.02917	4.4
112.99875	2.2
132.05336	2.3
137.02441	24.9
151.00362	5.3
151.03958	3.0
156.00740	2.2
165.01921	100.0
166.02710	17.5
171.47154	2.2
179.03470	20.3
180.04283	58.8
181.05067	20.7
187.04118	2.7
194.05814	2.9
195.06630	71.9
198.40108	2.3
205.05016	3.5
210.05322	10.1
220.07414	3.7
225.07697	60.0
255.75793	2.3
387.14456	4.1
417.15515	29.9
595.21704	37.4
596.22595	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	643.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97092	0.2
53.80089	0.3
55.01856	0.4
57.03437	0.6
58.00607	0.2
59.01380	30.7
61.98821	0.4
71.01382	16.6
72.99281	0.6
73.02941	1.1
80.25639	0.3
83.01389	1.5
85.02957	3.1
87.00868	0.4
89.02441	16.6
90.02773	0.3
95.01369	1.3
97.29761	0.2
98.22639	0.5
99.00877	0.5
101.02442	12.6
102.02764	0.4
113.02457	7.5
119.03500	6.8
131.03456	0.5
143.03444	0.5
161.04504	0.4
213.00552	0.2
213.84572	0.3
225.35054	0.3
229.19872	0.3
243.37871	0.3
293.40445	0.3
301.21661	1.2
463.26981	0.7
481.28058	100.0
482.28421	8.5
537.83063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	20.8
59.01374	4.8
61.98829	2.4
69.10500	9.1
70.76550	1.2
82.22423	1.4
83.05032	23.1
94.25288	1.6
96.96015	14.2
97.78805	1.2
113.78513	1.3
134.01964	1.3
148.96423	1.2
203.14360	2.7
215.14395	17.2
255.17528	2.1
268.33127	1.2
273.18600	32.0
307.19058	3.5
317.17587	100.0
318.17859	3.8
325.20148	4.5
398.37775	1.4
457.42014	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02974	3.7
59.01379	2.5
61.98835	4.3
71.01391	3.3
72.00913	0.9
81.03477	0.7
85.02927	0.8
87.00911	1.0
89.02445	4.8
90.03481	1.4
93.03456	11.1
101.02428	1.0
108.01129	0.7
108.04552	3.7
112.98791	1.0
113.02499	0.8
116.04215	1.4
116.05060	40.3
118.02987	73.6
119.03346	1.3
120.04538	4.3
125.02479	2.5
131.03653	2.6
132.04547	5.1
134.06123	1.7
135.04555	1.6
142.06624	1.4
144.04630	0.8
146.06145	1.0
147.05666	2.3
148.04065	2.4
149.04599	2.8
149.07243	0.9
150.05608	1.1
156.06932	3.0
157.07693	5.8
158.04904	7.6
158.06129	1.5
159.05632	22.0
160.04060	1.4
167.06177	2.2
169.07750	1.5
171.05643	8.1
177.06686	29.1
179.03534	1.1
189.06682	5.1
191.05537	1.0
194.07234	1.7
208.34856	0.7
212.08308	1.7
232.69348	0.7
233.06693	0.9
258.45609	0.7
258.60980	0.8
261.10178	1.0
286.09854	1.1
288.11417	4.9
293.08777	9.2
306.12466	100.0
307.12866	4.0
328.08209	1.9
350.11429	0.8
442.07837	2.5
644.20929	45.3
645.20892	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	644.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.2
61.98829	100.0
68.92302	0.1
69.09184	0.2
69.09589	0.5
84.40472	0.1
119.99017	0.1
134.12122	0.1
223.06172	0.1
266.32529	0.1
609.14490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
57.03458	0.9
58.88275	0.6
59.01378	100.0
61.98832	1.4
69.03465	1.1
70.99223	0.7
70.99560	0.7
71.01382	44.2
72.99313	1.5
73.02946	38.5
83.01382	9.4
85.02951	9.0
87.00885	1.8
89.02444	41.2
95.01402	2.4
96.96002	1.6
97.02946	0.7
99.00881	1.0
101.02444	39.3
107.27306	0.7
109.03050	1.0
113.02454	23.8
114.05237	0.6
119.03510	18.6
119.04324	1.3
121.03016	0.8
122.49261	0.7
125.02479	1.6
131.03490	4.4
135.04529	1.0
143.03496	5.1
145.05963	0.6
149.01260	0.6
149.02470	4.3
149.04550	6.9
152.01048	1.0
161.04552	13.3
163.04036	1.0
164.04770	3.8
165.01930	0.9
179.03421	0.6
179.03992	0.9
179.05630	11.9
179.07120	1.2
182.02522	0.7
193.01410	4.3
203.05650	1.3
208.03796	8.3
221.06694	3.7
223.06107	22.4
224.06369	0.7
245.56471	0.6
293.47388	0.8
300.12823	0.6
655.81189	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.4347
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98794	0.9
71.01385	7.1
71.43215	0.8
71.65565	0.6
78.95885	1.1
92.08216	0.6
96.95964	0.5
101.73309	0.6
124.84403	0.6
125.09683	1.3
125.99324	2.0
143.83273	0.6
152.00862	0.7
165.01672	5.9
171.10283	1.5
193.04715	1.0
193.08417	1.8
194.05606	0.8
221.08018	1.2
222.08723	100.0
223.09113	2.0
236.10297	1.3
241.09296	0.9
254.07777	2.7
266.66110	0.7
293.20984	1.4
311.22250	11.4
333.20462	99.5
334.20837	4.0
534.30603	1.4
645.42651	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48892	1.4
55.93232	1.2
59.01370	2.6
61.42222	1.4
63.50811	1.2
63.77763	1.4
68.99817	3.0
69.81956	4.0
70.02954	1.1
71.01369	2.7
72.99297	2.8
74.73248	1.2
75.00864	2.1
75.02596	1.4
75.06993	1.3
83.01379	2.3
85.01026	1.3
87.00850	1.8
88.98788	2.2
92.58163	1.5
99.00861	4.2
101.65920	1.2
111.00886	1.3
112.98812	7.1
113.00573	1.4
115.02116	1.3
123.69432	1.2
124.98704	1.3
126.94973	1.2
127.00278	1.3
129.01968	1.8
142.99837	2.4
145.01421	3.5
149.02379	1.8
157.01369	2.9
161.02435	1.7
164.04793	3.9
171.01056	3.9
173.00923	1.6
176.04742	1.3
177.01930	1.6
179.07085	3.3
181.05092	2.3
187.02448	1.7
191.03441	3.8
219.02905	1.6
231.02951	2.3
234.05261	3.4
246.05281	2.6
247.06082	2.5
249.07597	4.1
261.07574	2.4
263.05713	10.4
263.08768	1.4
273.07730	2.5
291.08801	8.3
309.09912	2.3
317.08435	2.1
335.09317	2.3
480.46530	1.5
603.17450	2.7
647.16376	100.0
648.16742	4.8
652.24445	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	4.5
59.01381	100.0
61.98819	13.2
71.01378	47.4
73.02956	15.4
82.95426	6.0
83.01370	5.6
83.43385	2.5
84.29855	2.9
85.00454	3.9
85.02947	26.6
87.00878	4.0
89.02444	23.6
95.01424	4.5
96.96009	2.8
99.00859	8.6
101.02441	31.6
101.66277	3.0
113.02447	28.4
119.03522	4.1
143.03525	3.9
156.29137	2.8
161.04578	9.4
208.73840	2.8
243.37822	3.4
399.23691	6.4
543.28131	94.9
544.28424	4.5
561.29187	68.0
562.29858	4.5
578.76788	3.6
603.30176	13.3
647.36316	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	648.3603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76135	1.4
59.01372	18.7
61.98832	14.5
71.01388	8.1
73.02968	1.7
75.93215	1.3
82.95404	2.0
85.00446	1.4
85.02934	3.3
87.00865	1.5
89.02440	4.4
101.02435	5.9
102.05613	9.5
112.39075	1.4
113.02444	2.5
128.03545	27.6
146.04593	2.3
146.44930	1.5
149.04515	1.5
152.48763	1.8
221.29066	1.4
251.75777	2.0
339.25345	5.5
341.27011	1.9
357.26437	10.0
510.89288	1.7
519.31763	20.2
604.37054	1.9
648.35992	100.0
649.36432	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.2
61.98803	1.6
69.24480	2.9
69.24883	5.0
71.01392	2.1
73.02917	1.9
82.95420	19.2
86.00099	2.6
88.98793	2.5
90.25779	1.2
93.03442	4.0
96.96032	3.9
128.90108	2.6
131.03760	6.3
135.04588	2.3
144.04567	2.7
149.47406	1.2
158.10135	1.3
159.03267	7.7
160.04036	12.6
172.04028	3.2
179.03516	1.8
193.06534	1.6
208.05663	2.2
208.07689	13.9
209.06071	13.1
209.08147	2.2
210.06778	1.8
210.74341	1.4
221.06107	4.5
222.05579	3.9
230.72107	1.4
236.07129	12.2
237.05542	43.8
237.07961	13.3
238.06343	21.5
239.07162	8.6
248.07150	2.3
250.06471	2.9
251.07050	1.5
263.05817	2.6
264.03799	1.8
264.06641	45.7
265.07425	90.2
266.08179	36.9
267.06512	2.4
267.08987	5.2
278.08194	9.0
294.07715	6.0
295.08490	2.7
308.09085	2.5
330.89178	1.3
337.09448	7.7
397.10004	1.4
427.12741	2.6
428.13455	3.1
429.14435	8.8
429.19067	1.8
430.10767	1.6
559.16925	100.0
560.16998	7.7
561.17896	1.9
613.14276	1.6
619.14398	2.2
627.77551	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	649.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61380	1.6
58.00591	1.8
59.01378	17.9
66.49528	1.6
69.03458	16.5
71.01381	4.6
73.02954	2.4
80.91679	6.7
113.02519	2.2
141.00653	2.2
141.01715	16.0
143.13890	1.5
151.10179	1.5
153.01706	4.4
155.03357	1.9
216.58675	1.6
243.03574	6.3
247.20700	5.8
254.05099	1.6
319.22772	99.1
320.23071	7.0
333.20572	2.3
333.24353	23.7
334.24402	2.2
361.23849	2.6
401.23077	100.0
402.23505	7.8
413.23111	9.3
415.24646	40.8
416.24698	2.3
443.23941	5.6
503.25049	2.8
658.97467	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24842	10.4
56.98952	9.5
59.01373	38.4
61.98834	13.9
62.73124	12.0
71.01377	15.9
83.85418	13.0
89.02451	28.5
97.62424	9.7
101.02441	12.1
111.78648	11.4
118.30461	10.9
149.04550	26.8
209.37820	11.8
211.97099	9.5
249.18764	13.4
293.08643	66.1
311.09891	12.3
319.22757	53.1
329.06470	100.0
644.16437	12.2
649.29742	80.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19189	1.1
60.25559	1.3
61.98832	1.5
66.45259	1.1
80.02697	2.8
89.60985	1.1
95.05039	3.7
106.04220	1.4
107.05036	1.5
109.06593	1.9
109.63780	1.2
191.14426	4.8
231.01553	1.3
271.20679	43.2
272.20905	1.4
284.39563	1.1
315.19641	100.0
316.19858	4.4
530.18896	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21778	3.4
59.01078	5.7
59.01377	100.0
69.64924	12.3
98.22557	6.5
99.18114	2.8
103.00427	4.3
103.01493	87.1
116.92920	3.7
124.98141	3.2
174.44814	3.1
241.93022	3.6
251.76428	2.8
278.99756	3.0
298.92764	3.1
301.46573	3.0
346.73001	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	651.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01080	0.6
59.01376	9.9
69.03445	0.6
69.25259	1.1
69.25639	1.1
69.49525	0.4
69.92235	0.4
71.01381	9.3
71.68443	0.4
72.00910	5.8
73.02953	1.0
74.02472	13.3
84.32304	0.4
85.02956	1.1
89.02448	11.8
97.02946	1.2
98.21912	1.2
101.02431	2.3
107.05035	1.2
113.02451	2.0
116.05064	42.5
117.05375	0.4
121.17542	0.4
125.02435	5.2
129.05827	0.5
130.06609	1.1
131.03481	2.8
135.04530	7.3
142.06619	11.3
142.07718	0.6
149.00996	0.5
149.04544	6.4
159.09280	8.6
161.04643	0.6
166.23170	0.5
186.05641	2.0
191.05618	1.6
203.08258	100.0
204.08588	2.4
233.06635	1.3
293.08780	33.1
294.09180	0.9
335.16791	0.5
337.08307	0.5
429.14053	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	651.2463
Annotation	Acetylpringleine
Peak:m/z	Relative Intensity
56.48148	1.2
59.01399	1.5
60.37436	1.3
71.43950	1.3
184.16811	1.1
215.61992	1.1
265.14722	1.2
286.90070	1.2
323.48508	1.3
383.03125	1.2
420.65384	1.3
435.18271	2.0
449.19669	1.9
489.15598	10.6
490.16180	1.5
491.17087	10.2
494.20929	1.2
503.17389	2.4
505.18604	6.1
545.18085	2.0
591.22461	20.2
592.22778	3.2
619.21948	1.5
651.24615	100.0
652.24744	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	651.2819
Annotation	Haplophytine
Peak:m/z	Relative Intensity
59.01374	5.2
61.98822	2.4
65.18575	2.2
69.59531	4.1
69.59922	4.6
72.42731	2.1
74.02478	15.2
79.46403	2.2
85.59592	2.4
86.49309	2.5
95.02522	4.6
96.00913	24.2
98.02462	5.5
98.15970	2.2
98.21921	5.0
99.05677	6.2
104.03538	8.5
108.10274	2.2
109.93961	2.8
112.02779	2.4
113.03586	19.6
124.02745	2.9
139.05045	2.4
141.06705	5.0
143.11929	3.3
147.05977	2.5
155.11932	6.3
167.08279	4.1
187.10818	4.6
189.07056	14.2
242.11882	5.0
243.07588	2.9
285.15964	3.5
302.18878	3.1
303.11359	2.5
303.17139	3.4
399.20718	2.9
461.20502	7.2
621.27246	15.3
651.28235	100.0
652.28406	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	651.3023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60609	0.6
57.03445	0.5
59.01384	2.8
61.98835	0.6
67.45927	0.6
69.31886	1.6
69.32281	1.0
69.48870	0.5
77.84892	0.5
84.99308	1.7
87.00875	7.2
107.05009	0.7
108.23961	0.5
109.01765	0.5
109.02956	1.4
112.98816	22.1
112.99603	1.1
114.23871	0.5
117.03423	0.7
130.99857	1.5
133.02960	3.6
134.03761	3.4
135.04530	58.6
136.04851	1.1
137.02446	1.8
139.00389	2.2
157.91324	0.5
161.02449	6.9
163.03969	2.6
173.02406	1.1
177.01942	0.6
177.05643	1.0
179.03499	54.0
180.03870	1.8
185.11833	1.8
191.03497	2.3
205.04987	0.9
219.03001	9.6
231.03038	1.0
271.96231	0.6
293.03027	17.9
297.24280	0.9
309.24463	1.7
325.23889	0.9
327.25455	8.5
328.25827	1.0
339.25476	2.5
357.26465	100.0
358.26843	5.5
489.27039	29.9
489.34372	0.8
490.27557	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	651.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03465	1.0
69.15036	2.5
69.15451	0.9
77.73099	0.5
78.95905	0.7
81.07090	0.7
92.13833	0.5
98.21876	1.1
189.12836	1.1
208.78555	0.5
255.21210	0.8
257.19174	1.1
271.20706	0.9
273.22229	7.6
305.21167	2.8
317.21204	100.0
318.21509	5.7
333.20767	1.5
381.31735	0.5
509.50244	0.5
631.92303	0.5
651.41711	0.6
679.88263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58180	0.9
60.60201	1.0
61.98827	1.4
66.48912	0.9
69.03451	3.9
71.44892	1.0
83.05053	2.0
84.02177	1.7
110.03739	15.5
111.04522	4.2
127.18573	0.9
173.65430	1.0
243.17502	6.5
247.20605	2.9
259.20660	6.2
269.19104	1.8
287.20132	14.8
303.19528	4.9
319.22772	34.0
320.23035	2.9
331.19144	100.0
332.19458	3.9
336.88437	0.9
362.83267	1.0
377.27490	0.9
405.21490	1.3
417.00772	0.9
481.69910	1.0
488.43631	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98723	2.0
54.78596	2.0
55.10873	2.2
57.11336	1.8
59.01384	3.1
61.98833	25.2
68.41587	2.3
69.30014	8.7
87.80919	1.9
88.87910	2.1
103.01176	2.2
106.00043	2.2
147.04529	3.3
151.00388	8.4
166.02731	34.0
175.04037	2.7
181.05066	97.0
182.05417	2.3
187.04021	2.8
190.06325	2.3
193.23877	2.5
203.03506	27.6
218.05823	31.0
233.08165	36.0
293.30060	2.2
355.08231	2.8
367.65134	2.3
370.10486	3.1
385.13034	4.2
415.13983	20.5
447.16583	100.0
448.17007	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	652.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08442	1.1
61.98828	2.9
74.83170	1.3
75.00457	1.1
75.00902	1.5
78.95903	18.3
103.00375	4.2
159.75862	1.5
251.62379	1.2
317.20932	1.3
416.20242	1.5
430.21317	1.8
431.22351	26.2
432.22592	1.4
445.23779	2.8
460.21350	4.6
490.23764	25.6
491.23776	1.6
505.26108	100.0
506.26318	6.5
510.19296	1.4
608.28949	1.7
653.30121	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	653.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41703	2.3
64.59289	2.0
71.44557	2.2
73.80605	2.4
84.23815	2.0
108.04546	2.4
114.81094	1.9
114.81966	2.0
160.04027	12.8
218.04652	4.8
226.11124	9.8
226.13118	2.2
227.11899	2.2
235.08777	4.0
236.05888	2.4
238.07533	8.6
239.08174	12.2
241.13554	12.9
249.10384	3.3
251.08038	11.4
252.09041	4.8
263.08313	4.5
265.06186	2.4
265.09784	9.4
266.06998	8.3
267.07706	4.7
277.09747	4.8
278.07016	6.6
279.07764	25.1
280.08444	4.8
293.09320	11.3
310.09567	5.4
311.10379	3.4
321.08813	68.1
322.08908	3.5
325.11905	6.9
326.65805	2.3
353.11414	100.0
354.11597	6.2
385.14020	12.5
391.15741	2.2
434.20624	3.9
589.20898	7.3
621.23547	55.1
622.24231	5.4
653.26013	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02976	4.3
59.42976	0.6
61.98796	0.8
65.85375	0.6
66.03500	0.8
71.47583	0.6
74.02468	10.1
81.04553	0.6
81.60435	0.5
82.03004	1.2
86.02467	3.1
86.06097	0.9
86.44478	0.6
86.99108	1.5
87.05639	2.3
90.00201	1.5
97.04083	1.2
99.05636	8.5
101.07214	1.1
102.05607	1.3
109.04061	1.2
109.07632	1.2
112.04053	1.0
116.01714	0.6
123.05596	1.3
124.04098	0.6
125.03563	0.7
127.05142	1.6
128.03534	28.5
135.05635	2.6
137.07283	0.6
141.06673	2.4
143.04619	36.8
145.06183	2.0
146.04550	3.4
152.78383	0.6
153.06749	3.2
156.32001	0.5
160.00743	10.1
166.09909	1.5
167.04636	2.9
167.08252	1.2
177.03429	3.9
179.04643	7.2
185.05695	1.4
192.07797	0.8
197.05618	1.2
198.09000	0.8
210.08842	7.8
242.07765	0.8
254.07790	7.1
272.08832	13.1
273.09418	0.7
288.06528	5.7
306.07642	100.0
307.07980	2.8
342.75290	0.6
391.65598	0.7
436.50381	0.6
465.73526	0.6
497.28748	0.7
653.28687	6.9
653.41241	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3178
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27589	0.5
59.01377	2.4
61.98838	2.2
69.34322	0.7
69.34707	1.4
83.83420	0.4
84.99310	1.4
87.00880	7.7
107.05004	1.0
109.02959	2.1
111.00851	0.8
112.98811	22.6
130.99869	1.4
131.52431	0.4
133.02974	2.5
134.03714	3.6
135.04524	57.8
136.04831	0.7
137.02451	1.1
139.00377	2.0
149.06070	0.4
161.02435	6.6
163.04010	3.2
169.35336	0.5
170.87271	0.4
177.01712	0.5
177.05588	0.9
179.03494	52.1
180.03851	0.8
187.04044	0.5
187.19833	0.4
191.03473	2.8
205.05212	0.5
219.02988	9.5
229.98282	0.4
231.03012	1.4
267.23550	0.5
293.03043	18.7
311.25812	0.8
312.94617	0.5
313.23788	4.6
315.43600	0.5
341.27145	1.5
357.26428	0.6
359.28015	100.0
360.28305	3.5
491.28601	35.0
492.29282	0.9
653.32190	0.7
655.03516	0.6
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
50.72474	0.3
51.00646	0.3
55.01877	1.4
57.03455	0.8
58.00597	0.7
59.01382	49.4
60.01714	0.4
61.98842	1.2
69.03456	1.7
69.52144	0.7
69.52518	1.3
70.23857	0.4
71.01382	35.6
72.99315	1.7
73.02946	6.8
73.16368	0.3
74.53554	0.3
75.00884	1.0
81.03445	1.8
82.81213	0.3
83.01382	3.8
83.05036	0.4
85.02951	7.8
86.00156	0.4
87.00877	7.4
87.04543	0.3
89.02447	32.0
91.04001	0.4
95.01392	1.9
97.02954	5.9
99.00883	2.1
99.04552	0.5
101.02445	28.5
109.02973	0.7
111.00845	0.5
111.04535	1.1
113.02454	14.1
113.03247	0.7
115.04020	0.7
119.03502	10.2
121.02974	0.6
123.00915	0.4
125.02454	11.7
127.04031	0.4
131.03500	1.4
133.05069	1.2
139.04021	1.1
141.01970	0.9
143.03494	5.8
149.04561	0.7
157.05019	0.4
161.04559	6.6
167.03557	0.7
169.04982	0.4
171.02931	0.6
179.03429	0.3
179.03958	0.4
179.05609	5.7
185.04639	0.7
199.06113	0.4
203.05548	0.4
217.07211	0.8
219.05182	0.4
221.06674	2.2
235.08223	13.5
245.06647	1.1
253.09312	3.5
255.23294	100.0
256.23645	3.3
263.07758	1.3
277.09253	1.0
287.07642	3.6
305.08786	3.8
323.09781	1.6
361.11331	0.6
379.12549	0.7
397.13492	97.1
398.14047	2.5
415.14566	34.7
416.14920	1.1
597.27576	0.4
653.25763	1.3
653.36884	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40969	1.8
61.98831	3.0
66.76655	1.6
69.37936	1.6
78.95891	4.2
80.55479	1.7
83.23816	1.8
92.34496	1.8
116.62009	1.7
119.94625	1.8
162.73228	2.2
191.03847	1.8
222.92528	1.7
376.36008	1.9
411.77264	1.8
519.76514	2.0
542.91870	1.8
593.48535	2.1
653.44147	100.0
654.44574	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	653.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09521	0.7
74.02430	0.7
78.95911	1.6
80.96530	0.9
97.06602	0.9
102.26830	0.6
152.99579	0.7
177.12767	1.6
189.12750	0.6
199.47540	0.7
219.13846	1.0
242.54326	0.7
259.20630	11.5
271.20963	0.7
273.22256	3.2
275.23795	20.4
276.24115	1.0
277.21732	2.7
293.24878	8.3
317.21109	0.8
318.21423	1.2
319.22769	100.0
320.23157	3.1
321.20551	0.8
333.20688	6.9
337.23816	1.1
393.90952	0.9
577.27136	1.2
653.40643	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.1788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	63.2
69.41545	3.7
69.41917	1.8
88.98803	0.9
91.10269	0.8
93.03444	2.6
100.92503	0.9
116.04794	0.8
118.02947	1.6
119.05034	1.3
147.04550	1.8
174.05605	10.0
221.06027	2.0
238.06430	9.3
239.07143	39.3
240.07709	3.1
252.06621	1.8
253.04936	0.9
265.07538	1.0
266.08209	37.6
267.08975	42.7
268.09424	2.6
353.63791	0.9
561.18518	100.0
562.18750	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
71.01408	0.9
87.75977	0.4
96.99323	3.9
97.02964	0.6
98.99388	0.6
101.00982	0.5
113.00970	0.6
125.00977	0.7
126.98859	0.6
131.01979	0.5
139.97565	0.6
141.01703	69.5
142.02072	0.9
142.05089	1.8
153.00470	0.8
158.89310	0.6
173.03055	1.3
199.51584	0.5
201.02567	0.7
253.09459	0.5
257.05148	0.9
275.06213	6.1
277.21658	2.2
317.07065	1.3
335.08694	1.3
336.70422	0.5
359.20911	2.4
391.19708	1.4
531.87646	0.5
535.27667	7.9
536.27765	1.0
595.29987	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	655.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14164	0.4
54.00749	0.5
56.57111	0.6
59.01378	100.0
66.21085	0.5
71.43925	0.6
78.95885	0.8
88.41281	0.5
90.21203	0.4
96.99310	3.6
97.02967	0.5
100.62610	0.4
108.00903	0.4
134.78786	0.5
141.01698	67.5
253.09178	0.7
265.02692	0.6
275.06122	1.0
277.21625	2.3
283.26016	0.6
317.07178	0.6
359.21637	1.9
531.95605	0.5
535.27716	1.6
595.29907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	5.1
57.49110	0.8
61.98822	0.7
69.03418	0.9
69.82032	0.8
71.07371	0.8
78.95859	0.7
94.36575	0.7
113.09720	11.4
125.09748	5.3
127.11304	4.2
137.09740	0.8
141.09225	1.6
151.11295	1.7
155.10786	2.5
165.09163	2.2
171.10240	4.3
195.10220	1.6
199.09813	1.9
201.11325	48.3
202.11649	2.0
213.11327	26.9
214.11646	0.9
291.19669	4.6
309.20712	7.5
310.21088	0.8
327.21753	100.0
328.22052	5.0
363.19519	0.8
435.97607	0.7
575.49719	0.9
618.11206	0.7
678.14642	0.8
678.59357	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99272	0.3
69.51929	0.5
69.52292	0.6
78.95898	1.7
92.23389	0.2
111.73058	0.3
150.04013	0.2
161.97021	0.3
199.13420	0.6
200.32008	0.3
205.12392	0.4
278.70505	0.3
301.21725	100.0
302.22055	4.1
655.30792	0.9
656.38544	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54333	0.4
60.30432	0.5
65.12293	0.4
68.37074	0.4
71.45379	0.5
78.95924	1.5
109.34200	0.4
112.19781	0.5
127.59041	0.5
182.85574	0.5
207.81099	0.5
271.55872	0.4
301.21719	100.0
302.22073	3.9
308.79236	0.5
484.14059	0.5
490.77933	0.7
655.30450	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40561	2.1
59.01361	3.8
61.98818	3.0
70.59198	2.1
78.76356	2.1
93.58572	2.7
93.86345	2.2
98.21836	8.5
127.18494	2.3
133.02974	6.3
165.03729	2.5
165.99718	3.0
208.00729	22.2
285.03909	6.7
297.04019	15.4
298.04819	45.3
299.05508	8.3
309.04013	12.8
325.03589	4.0
326.04169	3.2
327.05032	27.4
330.03613	2.4
338.04468	2.8
339.04907	6.1
357.06052	14.8
429.08273	7.0
447.09549	15.0
473.10938	17.2
593.15143	100.0
594.15472	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	656.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.7
61.85539	1.0
70.87374	1.4
72.99320	3.5
77.13615	1.0
78.95894	1.6
84.99309	5.5
87.00872	23.9
87.01374	1.7
88.43268	1.0
103.00359	2.9
105.01961	1.3
109.02953	3.8
112.98810	76.4
121.02955	6.7
123.04542	4.5
127.33308	1.0
129.59882	1.0
130.99864	5.4
133.02937	3.2
134.03740	1.9
135.04527	38.4
139.00281	1.5
147.04500	1.1
149.00914	61.4
152.07172	1.6
161.02448	6.0
162.03149	2.7
162.04488	1.0
162.05630	7.1
163.03986	4.6
164.07178	3.3
179.03491	22.8
191.03511	2.1
192.06607	4.9
205.05017	1.7
213.05643	2.2
219.02908	6.5
239.07184	1.4
241.05054	3.0
242.05852	31.8
243.06441	3.1
252.08844	1.3
255.06660	4.0
256.07532	1.9
257.08276	1.3
268.09717	1.2
284.09311	1.5
286.10831	100.0
287.11179	2.7
293.03000	11.6
311.04324	1.8
312.08688	7.5
330.09805	33.6
372.10818	1.5
420.46075	1.1
462.10394	27.2
494.06342	2.1
494.13025	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49323	0.8
59.01377	4.8
60.11277	1.0
64.81728	1.1
69.07949	3.7
69.08377	2.8
71.01360	1.0
72.34937	1.0
72.99312	4.5
84.99316	6.2
87.00880	24.4
89.02460	0.9
94.66216	0.9
103.00378	2.9
105.01982	1.0
107.05022	1.0
109.02958	3.4
112.98812	100.0
115.00438	1.0
121.02950	5.9
122.03673	0.9
123.04531	3.2
130.99876	5.5
133.01431	3.7
133.02983	3.0
134.03732	1.5
135.04532	42.2
139.00356	0.8
147.04526	2.2
147.87376	0.9
149.00917	52.1
150.03290	1.0
151.37544	0.8
152.07216	1.5
161.02434	5.9
162.03229	3.1
162.05600	6.1
163.04024	3.9
164.07184	3.8
166.08733	0.9
175.04106	1.2
176.07086	1.1
177.01944	1.1
177.05600	1.1
179.03502	26.6
191.03442	1.6
192.06740	4.1
205.05032	1.1
219.02980	5.0
231.03017	1.4
241.05141	3.1
242.05843	27.1
243.06358	2.0
252.08804	2.0
253.08743	1.5
255.06735	4.5
256.07333	1.5
257.08286	1.7
268.09787	1.2
286.10843	87.4
287.11102	2.3
293.03064	7.5
311.04034	1.1
312.08743	5.1
330.09827	28.4
331.09946	1.4
360.09390	7.6
372.10800	1.3
405.33142	1.0
435.81320	1.2
462.10403	24.9
494.13068	27.7
502.29803	0.9
628.73090	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32837	0.4
57.50907	0.4
58.99384	0.4
59.01380	8.5
60.01707	0.6
61.98831	0.4
64.07513	0.3
64.66922	0.4
70.03757	0.6
70.04088	0.7
82.67998	0.4
99.04516	0.6
102.04266	0.4
141.01695	4.1
142.01994	0.9
142.97530	1.0
143.03510	2.0
207.57930	0.4
210.41354	0.4
436.15131	1.1
451.14026	0.9
452.14755	0.7
464.15051	1.8
465.15503	0.9
466.16467	0.9
478.12140	0.5
479.17569	0.8
480.14795	0.4
491.13126	0.4
493.15195	1.1
494.15829	2.7
495.16946	1.9
496.14102	0.4
497.18671	0.4
506.16577	0.7
507.16818	12.6
508.17188	1.5
509.18246	0.5
510.15311	1.7
511.16095	0.6
512.16742	1.3
521.13702	4.4
522.19019	0.8
523.19678	0.7
526.14941	0.6
533.16473	0.4
534.15314	1.6
535.16595	1.2
539.15619	3.3
540.16022	0.9
547.84698	0.3
549.17853	8.2
550.18414	0.9
551.16107	0.7
553.17285	24.9
554.17590	3.7
562.44574	0.4
565.17517	0.4
566.18030	4.5
567.18134	0.9
579.79010	0.5
581.20422	4.8
582.18225	0.6
583.18323	0.9
598.17297	1.4
625.19287	2.0
657.22040	100.0
658.22418	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	657.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19897	1.2
57.95216	1.0
59.01370	4.8
64.29030	1.0
69.46211	4.4
71.54124	1.2
80.01054	1.2
141.01732	2.7
158.19797	1.2
160.84190	1.4
258.73734	1.4
305.12598	1.2
320.58401	1.2
451.13611	1.6
493.15335	1.8
495.16513	1.9
506.16458	1.7
507.16632	6.0
521.14258	2.3
539.15924	3.8
540.16656	2.1
549.17786	4.1
553.17224	21.2
554.17828	5.8
566.18066	2.9
567.19025	1.5
581.19598	1.9
584.19604	1.4
598.17889	1.4
657.22028	100.0
658.22253	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	657.2766
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01115	0.6
59.01381	7.5
65.15818	0.5
70.16107	0.5
71.01372	3.6
77.14811	0.4
80.91668	0.9
82.77367	0.5
85.02973	0.7
87.00881	0.6
88.54806	0.5
88.67227	0.5
88.76638	0.5
89.02447	3.4
99.85240	0.5
101.02443	2.5
125.06083	0.9
131.03494	2.1
135.08197	0.9
136.05310	0.5
149.04541	2.1
165.09120	0.7
185.00874	0.5
187.11240	0.7
191.05641	0.7
209.47308	0.5
227.14429	1.0
230.13121	0.8
241.15933	0.6
245.15482	8.4
255.17517	2.3
257.18961	0.9
271.13464	5.6
272.13678	0.5
283.17099	1.0
289.14456	11.9
301.18091	9.7
309.14789	0.5
317.17496	0.6
327.16019	3.0
345.17050	100.0
346.17322	5.9
511.41650	0.5
639.26599	10.0
640.26953	0.9
657.27441	4.8
657.37152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15589	1.4
55.40414	1.3
59.01114	1.9
59.01383	24.1
61.56041	1.3
61.98816	3.2
71.01376	11.9
71.43490	1.5
85.02939	2.6
88.33582	1.3
89.02460	13.0
95.01400	1.8
101.02426	6.0
107.77750	1.3
113.02444	6.9
119.03501	4.6
134.89430	2.0
143.03490	1.7
161.03400	1.5
161.04587	2.0
179.05586	5.2
226.91060	1.3
271.20587	4.3
289.21735	81.3
290.22046	4.1
303.23380	1.3
310.90378	1.4
315.19537	7.8
333.20721	100.0
334.20895	5.1
375.21680	4.8
495.26031	62.5
496.26425	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	657.313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	23.9
61.98866	1.5
70.48980	2.5
71.01368	13.0
80.85035	1.2
85.02967	2.7
89.02451	13.6
101.02460	4.4
113.02457	4.3
119.03521	4.9
143.03545	1.6
161.04616	2.2
179.05659	2.1
225.16652	1.4
243.21062	9.1
271.20749	3.3
289.21725	49.0
290.21954	2.1
303.23294	3.7
315.19620	10.7
333.20697	100.0
334.20926	5.9
375.21768	2.6
495.25967	75.0
496.26474	7.4
679.01678	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	657.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
61.26932	0.7
71.54014	0.6
87.02154	0.8
96.99313	10.5
97.02980	1.4
107.95052	0.6
134.40385	0.7
140.98329	1.8
141.01703	69.3
158.27838	0.7
197.55972	0.7
200.79955	0.7
233.93918	0.6
275.06381	0.8
279.23355	1.6
285.52344	0.7
361.23666	1.4
537.29407	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.5
61.98833	100.0
69.13242	1.0
69.13656	0.5
70.65494	0.2
70.79046	0.2
71.01397	0.5
71.28489	0.2
89.02456	0.7
89.59984	0.2
101.02464	0.5
113.02493	0.3
142.44202	0.3
144.86758	0.2
161.58701	0.3
166.02745	0.5
181.05098	0.9
203.03581	0.3
217.05153	0.3
233.08136	0.4
325.81458	0.2
385.13007	0.7
415.13800	0.5
595.20313	6.5
596.21375	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08661	1.3
59.01380	6.6
61.98828	3.4
71.01381	2.5
71.17562	1.6
72.00900	3.2
74.02476	7.8
89.02425	3.0
93.03472	5.9
101.02457	2.9
115.57395	1.2
119.05029	11.2
136.07693	2.9
163.04027	14.8
166.48172	1.1
180.06660	100.0
181.06958	2.3
188.87610	1.2
237.20311	1.3
262.31125	1.2
271.20630	3.4
272.08884	1.3
284.24063	1.7
328.22787	7.2
341.98465	1.4
372.21686	6.4
408.29135	3.0
424.32013	1.3
434.26984	2.1
478.25961	30.2
479.26288	2.5
496.27060	86.5
497.27432	6.4
538.28052	4.1
658.22278	2.4
658.32391	26.1
659.32819	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84547	0.6
59.01379	100.0
61.98769	0.6
62.03288	0.6
64.91802	0.6
66.53144	0.7
70.52946	1.1
78.95886	0.8
126.95795	0.6
136.32071	0.8
137.97713	0.6
141.01700	70.4
142.02039	1.3
142.05154	0.7
248.88307	0.6
277.21689	3.5
279.37036	0.6
498.83521	0.7
502.29443	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	658.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21111	0.5
50.64754	0.6
52.12511	0.5
53.26958	0.6
57.11079	0.6
59.01380	100.0
60.01722	0.7
61.98840	1.1
69.66418	2.3
78.95905	1.3
88.00922	0.6
141.01704	75.2
224.07028	0.6
277.21817	2.5
321.04211	0.6
502.29053	2.9
503.30365	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72546	0.5
59.01378	68.2
61.98800	0.6
69.11745	3.6
98.22636	0.9
111.18253	0.6
115.34481	0.6
132.98170	1.0
147.33455	0.6
150.94791	1.0
157.03528	1.5
159.01460	1.5
167.75755	0.8
174.99242	28.5
176.98100	0.8
192.95862	9.0
201.02545	18.5
202.02687	1.9
203.02325	0.6
217.00291	100.0
218.00630	2.2
250.40218	0.5
278.13953	0.6
343.03677	1.8
359.01450	29.9
360.01657	1.8
362.18579	0.6
374.99170	47.6
375.99600	1.9
517.00409	9.6
518.00269	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04173	3.2
55.61435	2.9
57.03732	3.0
59.01371	11.1
61.98842	11.4
62.99404	3.4
71.01387	4.0
72.67042	4.0
73.57645	4.5
74.91044	3.1
75.83585	4.3
81.15381	3.2
82.95428	18.9
87.00839	3.7
95.66058	3.9
96.96003	13.6
120.34499	3.6
123.00874	5.9
124.01666	6.8
127.08936	3.4
137.02464	13.0
138.03224	6.6
139.00305	6.0
151.00369	12.3
153.01941	5.8
165.01949	64.9
166.02734	36.8
175.04030	6.1
177.95084	3.7
179.03485	16.7
180.04288	42.9
181.05078	55.3
191.03462	8.2
192.04332	7.2
193.05040	3.6
193.17540	3.9
194.05881	5.3
195.06616	36.6
203.03462	21.3
207.06581	6.6
209.08191	4.0
210.05345	9.9
218.05815	15.3
221.04561	5.0
223.06110	4.6
225.00693	3.6
225.07683	20.9
233.08200	29.2
235.06142	5.4
236.06854	17.8
251.09232	58.7
311.09424	3.8
358.10562	8.7
373.12943	7.5
431.13110	3.9
433.15125	23.1
497.27679	4.2
611.21527	14.2
624.16461	3.9
659.23438	100.0
660.23767	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	659.2362
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14989	2.4
59.00548	1.9
59.94819	2.4
63.50603	2.3
71.44114	2.5
92.92738	2.2
156.20499	2.4
220.54625	2.5
245.22906	2.3
283.51929	2.5
466.12408	2.2
469.22433	3.5
479.20724	2.7
496.17526	9.3
512.17358	15.8
536.17346	3.3
551.19513	2.9
555.18732	8.6
585.19281	3.1
627.21338	5.2
659.23596	100.0
660.23663	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	659.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01701	0.7
61.98837	0.8
69.54784	1.6
71.01380	4.1
73.02943	1.0
85.02976	0.4
89.02451	7.4
89.19236	0.4
96.96014	0.8
96.99317	1.3
98.21854	0.8
99.00866	3.3
101.02444	2.8
113.02449	0.7
117.00439	0.4
125.02455	0.6
127.74309	0.4
131.03471	1.1
131.07091	0.6
141.01703	57.3
142.02087	0.6
143.07169	0.6
149.04558	4.1
161.04500	0.5
191.05643	1.2
205.12288	1.0
213.03813	1.4
221.06540	0.6
233.06686	0.5
251.07629	0.6
273.05762	1.4
293.08640	1.0
436.19632	0.5
462.93347	0.4
467.17642	1.3
517.22852	13.3
599.22241	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	659.3287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.2
57.03443	1.0
58.00577	0.6
59.01381	32.4
61.98837	0.6
65.24995	0.4
71.01383	23.3
72.99310	0.9
73.02949	5.1
75.16240	0.3
75.56719	0.4
83.01400	3.5
85.02955	8.7
87.00879	1.2
89.02450	14.0
89.03014	0.7
95.01395	2.7
96.96009	0.6
97.02944	0.4
99.00882	1.5
101.02450	16.2
105.89111	0.4
111.00867	0.4
113.01705	0.6
113.02453	8.3
119.03509	4.5
125.02432	0.4
129.01956	0.5
131.03474	0.4
137.02412	0.6
141.70959	0.3
143.03505	0.8
159.02979	0.8
161.04558	2.7
165.01907	2.3
166.02727	0.6
179.03450	0.4
179.05612	2.2
180.04240	1.0
181.05077	1.1
195.06630	1.2
203.03503	0.8
218.05861	1.0
225.07681	0.7
233.08209	1.4
251.09029	0.3
273.22147	2.0
286.10373	0.4
317.21423	0.4
373.13229	0.5
419.76569	0.4
433.15155	1.3
453.28568	0.6
479.26584	2.1
497.27588	100.0
498.27954	7.1
539.29034	0.5
659.23090	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3286
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	38.9
60.54413	1.5
61.98823	2.3
65.05235	1.5
65.85166	1.6
71.01385	25.2
73.02950	5.4
77.10130	1.3
83.01402	3.6
85.02952	8.7
87.00877	1.7
89.02444	16.0
90.15837	1.5
95.01421	2.9
96.96026	17.3
98.22679	3.3
99.00869	1.8
101.02435	18.6
103.36245	1.7
113.02456	11.5
119.03468	5.9
131.03468	2.2
161.04582	2.2
168.34073	1.7
179.05576	3.5
294.71466	1.8
339.91443	1.6
404.66663	1.8
479.26523	6.0
497.27548	100.0
498.27914	6.1
659.33459	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	659.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88898	0.4
59.01369	2.2
61.98824	1.2
69.43407	0.9
69.43768	1.8
71.01379	2.0
73.02956	0.9
74.92110	0.4
82.32584	0.4
89.02447	2.1
99.00904	0.7
101.02451	1.3
107.05010	1.1
109.06567	1.2
125.02438	0.5
135.31311	0.4
149.04582	2.2
163.11327	0.6
171.10228	0.7
185.11792	0.6
189.12714	0.4
191.14423	1.4
208.26486	0.5
209.11769	2.5
215.14436	1.8
233.43024	0.6
243.17499	1.3
251.18092	0.6
253.19614	2.5
259.20700	4.5
271.20682	24.9
272.21005	1.4
289.18332	0.9
289.21680	1.0
293.08795	2.7
307.19116	7.0
311.09937	0.6
319.22794	2.3
325.20181	7.6
333.20706	100.0
334.21027	7.3
342.86734	0.6
350.49295	0.5
420.65799	0.5
420.72174	0.4
522.32471	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09434	0.2
54.08332	0.1
61.98830	100.0
69.67889	0.4
69.68250	0.4
73.58259	0.2
74.18661	0.2
81.03477	0.3
93.03445	0.4
106.75827	0.2
113.98707	0.2
118.30719	0.2
119.05071	0.4
123.04529	1.4
125.02489	0.6
151.00339	0.2
161.18109	0.2
167.03496	4.3
167.04874	0.2
168.03844	0.3
179.03546	0.6
191.03586	0.5
273.07700	6.5
274.07944	0.8
275.08224	0.3
276.08676	0.3
297.07764	0.5
315.08688	0.2
435.12939	8.0
436.13425	0.9
437.13593	0.4
438.13998	0.3
660.17566	0.9
677.51569	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.3
57.03432	1.1
58.00602	0.5
59.01378	27.4
69.02905	0.3
71.01381	24.9
72.99306	0.4
73.02956	0.9
75.00882	0.3
80.69396	0.3
82.29656	0.3
83.01402	1.6
85.02454	0.7
85.02946	11.3
87.00858	1.8
89.02444	23.8
90.02811	0.3
95.01385	5.7
97.02954	1.1
99.00845	0.6
101.02438	8.9
107.35471	0.4
113.02449	33.3
114.02802	0.6
119.03501	5.7
125.02438	0.9
131.03484	1.3
143.03516	2.7
149.04507	0.6
161.04556	4.7
179.05598	3.9
268.63275	0.3
275.07645	0.5
287.93054	0.4
341.10788	2.5
359.89517	0.3
470.23489	0.3
485.15030	0.9
503.16165	100.0
504.16440	4.9
504.46884	0.3
576.17560	0.3
660.21436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45106	0.1
59.01376	0.2
61.98831	100.0
70.80823	0.2
98.27222	0.1
138.90500	0.1
219.45041	0.1
249.59694	0.1
277.17538	0.2
492.66718	0.2
671.22241	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01720	0.9
61.98838	0.7
70.10168	1.2
70.10486	0.6
99.94851	0.7
127.92633	0.6
141.01698	76.5
142.01968	0.8
208.78175	0.7
248.67514	0.7
279.23264	4.1
323.51764	0.7
338.29224	0.7
504.30856	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	660.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06679	0.5
53.09080	0.5
56.85265	0.5
58.87117	0.5
59.01381	100.0
61.98825	0.6
66.47370	0.5
69.74026	0.5
71.39985	0.5
71.45950	0.6
78.95911	1.8
81.58583	0.6
82.53815	0.6
95.23602	0.5
101.95031	0.5
132.13284	0.5
141.01706	79.6
242.89717	0.5
279.23276	2.6
363.27246	0.6
490.03296	0.7
495.14633	0.6
504.30984	3.2
505.31143	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92619	0.8
65.00333	1.7
69.77025	0.9
69.77344	2.1
71.01379	1.4
73.31502	0.9
79.95757	0.7
85.18963	0.7
93.03453	1.1
96.96023	0.9
98.11237	0.7
101.44780	0.9
107.01407	3.1
121.02951	3.0
129.01944	1.8
132.04564	1.8
144.04556	1.5
146.06114	1.2
149.00880	1.3
149.78618	0.8
151.00378	21.1
163.00409	1.3
167.55740	0.9
169.01428	1.0
178.99889	7.8
189.06693	2.1
199.04037	1.3
211.04926	2.1
215.03467	1.0
227.03387	1.4
243.02957	2.8
254.02235	0.9
255.02969	9.3
271.02490	31.8
272.03232	1.1
273.04211	0.9
283.02277	1.1
285.03806	1.0
287.05670	0.8
295.63364	0.8
299.01959	28.6
300.02744	56.5
301.03513	71.6
302.03952	1.5
309.05173	1.3
313.03214	1.1
338.28467	0.8
341.07571	6.1
343.97931	1.0
360.83704	0.8
403.08206	0.8
463.08820	100.0
464.09186	3.6
623.16571	1.1
625.14014	31.9
626.14362	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	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.9
57.03448	2.3
57.40663	1.0
59.01378	100.0
59.56301	0.9
60.20180	0.9
68.41357	1.1
69.03457	1.6
71.01385	49.7
73.02943	31.4
79.92369	1.0
80.40521	1.1
80.79913	0.9
83.01394	8.3
85.02950	15.7
87.00861	7.8
89.02445	26.4
95.01389	6.0
97.02937	1.1
97.06614	5.2
99.00891	2.4
101.02444	31.7
113.02451	31.5
119.03503	10.5
125.02415	2.8
131.03540	2.0
134.06902	1.2
137.06168	1.2
137.09692	1.4
143.03485	3.6
149.04581	1.5
153.09189	1.0
161.04552	17.4
177.09180	1.2
179.05659	4.8
193.64696	1.1
225.11270	5.1
227.03432	1.4
243.03038	1.2
255.02925	2.5
271.02444	4.2
297.13220	1.6
299.01938	3.2
300.02664	3.4
314.04318	4.4
315.05069	7.8
315.14404	3.6
316.05219	1.4
389.31552	1.1
395.20776	12.9
413.21719	8.6
455.22824	2.4
552.23657	1.0
557.17218	2.2
557.25983	45.9
558.26196	3.7
575.27087	42.0
576.27075	4.9
617.28156	25.0
618.28491	3.3
623.16187	11.3
625.16425	1.4
685.33569	1.2
691.50305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	45.1
61.98838	2.9
69.03483	1.6
69.06532	10.0
71.01382	19.8
73.02953	7.6
78.91906	2.4
81.99274	1.5
83.01385	3.8
85.02966	10.8
89.02455	5.8
95.01431	2.0
96.95993	2.5
98.21797	2.7
99.00913	3.0
101.02456	18.9
113.02454	8.3
119.03477	1.5
125.02431	1.9
132.74806	1.5
143.03438	2.1
144.93524	1.6
161.04553	2.8
235.17000	7.2
251.16588	2.4
256.10010	1.7
277.18198	1.4
281.46704	1.5
395.20950	5.0
413.21906	9.8
437.21713	16.7
440.45044	1.6
449.20944	1.7
455.22870	100.0
456.23077	8.2
497.23889	12.8
499.28949	26.2
519.76563	1.7
523.00916	1.7
539.24634	1.6
570.75842	1.7
589.22900	4.8
594.66504	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	661.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82787	1.2
59.01381	47.3
61.98832	1.8
71.01382	18.9
73.02567	1.1
73.02927	7.0
82.95391	1.6
83.01379	2.8
85.02929	4.8
87.00920	1.1
89.02450	11.4
95.01382	1.3
96.96011	2.3
98.21791	2.5
99.00905	1.0
101.02441	13.6
101.13729	1.0
113.02445	6.2
119.03506	5.3
197.60614	1.0
390.72522	1.1
395.20547	1.8
411.24319	1.2
413.21677	5.3
437.22034	1.7
455.22849	100.0
456.23123	9.4
499.27563	1.3
591.73773	1.0
619.86957	1.2
653.72864	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.50302	0.3
59.01380	6.7
60.01714	0.4
61.01812	0.4
61.98845	1.2
66.38939	0.3
71.01383	1.3
71.43280	0.3
72.44260	0.2
72.99311	9.1
78.97264	0.2
81.07139	0.2
89.02450	2.0
96.95997	1.1
97.06593	9.4
99.00892	1.1
99.04561	0.3
99.08172	0.5
101.02430	0.7
115.04014	0.4
119.93917	0.2
125.06088	36.8
125.70435	0.2
126.06384	0.7
130.58931	0.2
131.03506	0.4
131.07173	0.6
139.85414	0.2
141.01688	2.5
141.02704	0.3
141.05626	0.3
142.02007	0.5
142.97533	0.8
142.99911	0.5
143.03508	1.5
143.07144	100.0
144.07510	1.8
149.04561	2.0
149.08127	0.2
164.38393	0.3
170.00931	0.2
173.08255	0.3
191.05556	0.5
193.27132	0.3
197.66698	0.2
201.02591	0.2
220.32498	0.2
238.04318	0.3
293.09088	0.3
451.02893	0.3
517.22717	1.9
519.23285	0.4
561.24585	0.3
601.20831	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.0
61.25412	0.4
67.79966	0.4
71.01385	0.9
78.95936	1.0
85.39967	0.4
89.02453	1.3
101.02476	0.5
113.02436	0.7
115.35096	0.5
125.85432	0.4
148.27563	0.4
186.94427	0.4
197.61929	0.4
235.32814	0.5
249.34879	0.4
255.79593	0.5
301.21753	2.1
319.22772	74.5
320.23221	3.8
341.10895	3.4
341.17285	0.9
533.55365	0.4
661.44489	100.0
662.44818	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.4448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.3
64.97071	1.0
69.03462	20.4
70.99287	1.7
71.05042	1.2
73.57935	1.1
119.15315	1.0
129.45279	1.1
158.93170	1.1
201.52731	1.1
224.89647	1.2
225.09410	1.2
247.20668	8.6
259.20587	2.7
264.68124	1.1
275.23834	1.7
319.22778	80.8
320.23163	5.0
327.53757	1.1
406.43155	1.2
592.93256	1.4
624.82977	1.2
661.44482	100.0
662.44568	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	663.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78344	0.7
53.81642	0.7
54.59330	0.9
59.01378	4.9
59.47340	0.9
67.71030	0.9
71.01366	3.0
71.19572	0.8
80.91692	1.6
81.03461	4.3
83.01391	2.7
85.79007	0.7
89.02444	3.0
96.96042	1.0
101.02460	1.4
108.02206	1.8
113.02448	1.7
119.04935	0.7
121.02975	1.0
123.04523	17.2
123.05355	1.2
125.02464	7.6
134.03735	2.8
135.04535	1.8
139.04068	0.7
149.02402	1.1
149.06064	4.3
151.00351	2.7
151.03999	1.1
152.01170	1.4
152.67465	0.8
153.01910	0.8
163.03981	1.3
166.02722	9.2
167.03494	55.4
179.03514	5.5
181.05107	1.3
182.02249	1.7
191.03445	4.7
203.03593	1.1
209.04477	4.9
219.06621	1.2
221.04482	1.8
259.09766	0.9
277.58966	0.8
288.06299	4.9
289.10825	1.0
293.04520	1.3
303.08731	85.2
304.09122	3.9
327.08783	11.1
343.92908	0.9
345.09772	4.4
357.09756	1.4
447.12750	0.9
465.14005	100.0
466.14410	3.7
537.64398	1.0
603.20587	3.4
619.16534	1.5
623.46936	0.8
627.19330	1.3
639.80420	0.9
663.17120	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.3
67.82473	1.8
70.46377	4.5
71.01379	2.2
71.37103	1.7
71.45293	1.7
78.95910	2.5
82.41982	1.6
86.53047	2.1
87.70590	1.8
96.96015	37.2
96.96967	4.4
107.01449	2.3
113.06125	3.5
119.05042	2.2
131.07133	13.5
133.02982	7.1
163.00409	2.4
164.48721	1.8
173.08179	7.9
175.04044	2.7
176.82581	1.7
235.14381	1.8
243.22919	1.8
284.03333	3.7
285.04077	9.7
297.04111	15.0
298.04742	10.8
299.05551	7.9
311.05701	4.0
327.05096	48.3
328.05283	2.2
339.05191	3.2
357.06100	35.0
358.06097	3.1
369.06091	3.3
390.43823	2.0
429.08206	4.5
447.09351	100.0
448.09610	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	665.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
61.78643	0.4
69.27609	1.8
71.01382	11.4
72.99290	0.5
83.41839	0.6
93.03438	0.6
93.11693	0.5
95.57614	0.4
96.96015	0.6
98.32664	0.4
115.00376	10.9
119.05032	42.3
120.05361	1.1
130.92847	0.5
133.01436	22.8
141.11070	0.5
163.04012	100.0
164.04372	2.8
242.30264	0.5
279.05121	8.1
460.64066	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00338	0.4
59.01373	1.4
61.98837	0.8
71.01387	1.2
75.26891	0.4
79.95742	2.8
82.95422	0.5
88.02393	0.4
89.02478	0.5
90.97140	0.5
90.98138	0.4
94.49975	0.4
96.96012	100.0
98.21820	0.9
114.93427	1.3
134.04277	0.4
160.95445	0.4
249.81410	0.5
290.47672	0.6
375.18613	0.9
417.19711	3.6
431.17432	0.9
519.23114	0.7
523.29144	1.7
537.23822	0.9
561.23846	5.3
562.24377	0.7
579.24811	7.8
621.26099	3.6
639.98029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.9
60.99306	17.1
71.01379	0.6
73.02973	0.5
78.00029	0.5
85.02954	0.7
88.98806	100.0
96.55718	0.5
98.22694	1.4
175.00383	0.8
187.53506	0.6
188.74896	0.7
269.04706	0.8
281.04709	0.9
282.05362	1.7
283.06177	0.9
293.04559	13.8
311.05673	1.8
313.70273	0.5
323.05661	1.1
335.05667	0.6
341.06656	1.3
353.06818	0.7
413.08890	3.9
457.11563	0.8
532.06342	0.6
577.15601	24.7
578.15942	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	3.9
78.95905	3.0
84.54965	1.7
104.54897	1.9
162.88048	1.5
171.10341	3.1
211.08727	6.7
237.06630	6.0
271.20578	1.6
277.21826	2.7
303.19742	1.7
305.69400	1.8
331.81653	1.9
333.20596	3.9
475.17691	5.9
489.19250	19.5
490.19653	2.3
533.18329	8.4
549.21295	3.2
635.25183	100.0
636.25604	15.7
667.27820	34.9
668.28540	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2778
Annotation	Swietephragmin D
Peak:m/z	Relative Intensity
61.98839	3.5
69.13220	10.1
73.76122	1.4
78.95904	2.0
91.17027	1.7
91.94294	1.6
101.71248	1.7
106.06649	4.5
113.54704	1.7
164.09163	1.7
171.10336	2.3
211.08833	2.6
237.06525	2.3
271.20764	2.1
331.19131	5.4
333.20746	5.0
335.22000	1.9
381.51511	1.8
387.69299	1.9
475.17706	18.4
476.22354	4.9
477.23117	4.0
489.18869	11.3
490.20078	4.8
501.23074	4.7
533.18213	3.6
534.19171	9.1
549.21350	19.0
559.23212	11.8
575.22900	2.8
577.24695	2.6
591.26538	3.8
635.25146	100.0
636.25513	16.0
660.66107	1.9
667.27814	68.4
668.28363	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	668.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12314	0.2
53.76365	0.3
61.98829	100.0
66.19348	0.2
69.08156	2.0
95.37578	0.3
98.22680	0.6
150.28287	0.2
170.81429	0.3
211.06113	0.3
331.19324	0.5
332.19662	0.3
333.20688	0.5
529.22827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60658	1.5
59.01377	20.3
61.98817	6.1
67.84737	1.6
69.22134	9.1
71.01387	1.8
73.51923	1.3
74.62851	1.4
78.09095	1.3
123.00891	2.3
125.45968	1.8
138.03255	2.2
139.00401	2.4
147.04515	4.0
151.00360	9.1
159.04442	3.2
161.04472	1.6
166.02710	31.0
175.03969	4.1
181.05060	100.0
182.05322	2.8
186.14655	1.5
187.03973	2.5
191.03400	1.6
196.03575	2.0
203.03513	25.5
205.05032	3.4
205.08456	1.6
218.05849	29.3
233.04578	1.8
233.08154	34.4
234.08632	2.3
338.07797	1.8
370.10321	1.8
371.15741	1.8
385.12872	4.4
400.11948	1.7
411.24426	1.7
415.13864	21.0
447.16589	89.1
448.16885	6.3
528.32373	1.7
669.34924	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	669.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	23.5
61.98816	1.5
71.01372	14.6
71.15040	2.2
73.02939	5.8
83.01375	2.7
85.02947	5.9
87.00841	3.1
89.02452	7.9
95.01379	1.8
101.02440	14.2
112.98821	2.1
113.02432	7.8
119.03509	3.0
125.02479	1.6
129.35742	1.4
130.11502	1.3
131.03549	1.7
134.71983	1.5
135.04491	2.9
141.01660	2.3
150.43176	1.5
161.04553	3.1
165.09174	5.7
179.03476	3.6
190.07188	1.6
221.06712	3.7
245.15491	12.5
289.14447	2.3
304.47498	1.5
310.52597	1.5
345.16968	1.9
375.27332	3.4
485.42752	1.6
669.27631	100.0
670.28284	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.313
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01502	1.1
59.01381	3.6
61.98834	4.1
70.45492	1.7
72.86256	1.1
84.99313	1.6
87.00887	5.1
96.96024	1.8
101.02473	1.7
104.03831	1.2
109.02950	2.7
112.98824	23.5
114.66183	1.0
130.99860	1.6
133.02963	1.7
134.03755	3.3
135.04532	50.2
136.04816	1.6
139.00372	2.7
156.66727	1.1
157.12280	1.6
161.02460	5.1
163.04045	3.0
174.54225	1.1
179.03506	41.4
191.03517	2.2
215.12820	1.5
219.03017	8.3
231.03085	1.5
266.35809	1.2
293.03036	21.6
293.26730	1.1
327.34610	1.1
357.26584	3.3
375.27505	100.0
376.27850	5.5
507.28091	32.6
508.28979	2.0
669.40308	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	670.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
61.98831	51.9
69.20948	1.1
69.21348	2.3
71.01383	4.5
73.02958	3.5
85.02963	3.2
89.02439	2.1
91.87459	0.6
96.24848	0.6
101.02424	1.6
103.04007	1.1
113.56612	0.6
116.92817	0.7
130.82864	0.7
133.03015	0.9
137.18558	0.7
269.04520	0.8
280.03705	3.5
284.03156	2.6
296.03336	1.3
297.04044	4.6
298.04773	6.8
299.05505	3.4
307.02570	3.3
308.03244	19.0
309.04065	3.2
310.04581	1.2
311.05493	2.1
312.06317	3.1
323.05594	34.9
324.05914	1.6
338.04291	1.1
339.05139	0.7
340.05878	0.9
341.06638	7.7
342.06943	0.7
344.05304	0.9
350.04181	0.9
351.04700	0.9
353.06671	5.4
365.06415	1.0
371.07562	6.0
383.07483	2.0
428.07208	0.8
443.09818	14.2
487.12561	1.5
512.33368	0.8
580.88300	0.7
604.49536	0.6
607.16681	100.0
608.16968	9.4
664.14948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	670.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55594	0.9
59.08854	1.0
69.43037	2.6
78.95904	7.4
177.83246	1.0
186.86574	2.7
188.86249	4.0
242.89246	1.5
244.88782	3.3
277.21991	1.8
278.22037	2.4
289.71329	0.9
452.15176	5.3
465.15302	1.0
466.16736	1.3
473.70703	1.0
480.14182	1.7
481.15005	6.8
493.15149	1.7
495.16708	14.7
496.17273	2.4
506.26245	1.2
507.16907	1.5
508.17636	1.8
509.17923	2.5
522.15558	1.2
523.20050	1.2
535.15692	1.9
536.16882	2.5
539.15771	1.4
540.16455	4.0
551.19385	38.5
552.19641	4.5
554.17810	2.3
555.18860	1.2
572.15540	1.5
586.16998	1.8
595.18024	4.6
596.14856	3.8
627.21002	100.0
628.20990	14.0
670.21954	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	671.4012
Annotation	Guineamide D
Peak:m/z	Relative Intensity
59.01363	4.8
61.98845	8.2
70.79712	2.9
71.01408	2.4
74.99111	2.3
84.97517	1.6
85.02946	2.5
96.96026	1.8
110.42924	1.6
113.54743	1.6
123.96082	1.8
149.06097	4.5
150.05675	2.2
150.06880	40.3
163.07690	9.2
163.08890	1.7
164.08408	6.4
176.08272	1.8
177.09064	1.6
178.09966	2.4
179.10777	11.6
329.23383	4.2
448.32193	10.4
462.33350	2.4
463.33975	12.0
490.33511	2.2
491.33820	4.5
508.34048	4.1
509.34824	34.4
671.40088	100.0
672.41010	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	673.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	80.1
60.45647	50.9
61.98833	83.6
70.65587	100.0
78.95882	78.4
104.10710	46.6
111.14893	44.2
261.02252	60.6
313.99146	56.5
604.86859	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.215
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98820	5.9
73.02937	2.5
77.28720	1.4
78.99208	1.5
83.85878	1.4
114.75127	1.7
210.71819	1.5
276.06992	1.6
402.80414	1.7
462.33069	1.6
473.18518	3.3
479.17163	2.1
483.20633	2.1
510.15488	6.1
526.14874	22.5
527.15051	2.4
538.18506	1.9
569.16754	8.5
673.21545	100.0
674.21649	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	673.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20021	0.9
60.50316	1.0
61.98826	1.1
69.14752	4.7
73.02939	1.8
74.09151	1.0
75.00866	2.7
78.75021	0.8
83.31458	0.8
94.92529	1.4
96.96012	2.7
104.26049	1.0
113.51238	1.0
154.91830	1.6
156.99391	1.1
192.37445	1.2
302.85907	0.9
304.59500	1.1
322.52628	0.9
455.17108	1.5
466.16348	1.6
467.13083	1.4
473.17963	1.9
481.18085	1.2
483.20306	4.1
493.18903	2.3
495.13077	2.0
510.15326	10.6
511.15427	1.2
521.17944	1.8
523.16199	3.6
525.17834	2.3
526.14740	14.2
527.15363	2.1
537.17731	1.3
538.18378	3.3
539.19611	1.5
550.15045	1.4
553.20850	2.1
569.16956	9.4
570.16815	1.2
599.17871	1.4
641.19116	5.3
673.21503	100.0
674.21667	11.7
704.74988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.5
61.98829	2.7
66.53436	2.2
71.01379	12.4
88.98867	2.5
89.02447	17.2
101.02448	4.7
131.03487	5.7
143.28778	2.3
149.04565	14.0
171.14421	2.2
191.05650	2.8
218.75510	2.4
293.08826	17.8
319.22784	100.0
320.23151	3.6
526.68689	2.7
613.32208	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	673.3443
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	72.8
61.98793	3.1
62.58667	2.6
69.03455	5.5
69.82442	7.7
71.01009	4.5
71.01383	57.5
73.02936	16.2
79.60818	2.4
85.02955	6.4
89.02448	98.8
98.22562	4.5
99.00867	26.4
101.02447	33.3
111.25921	2.9
113.02437	5.6
115.04039	3.4
124.50476	2.7
125.02457	26.0
131.03514	19.8
143.03448	5.8
149.04552	61.4
161.04509	4.7
191.05611	13.3
213.09048	3.1
221.06613	11.1
233.06662	11.9
251.07718	5.8
278.11298	3.6
293.08795	100.0
294.09158	3.4
311.09894	17.3
319.22763	73.3
320.22946	3.7
320.66043	3.1
329.16977	2.7
334.81912	2.5
334.87589	2.6
347.18369	2.6
558.40875	2.9
613.32751	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
58.30604	0.5
59.01377	1.1
59.34743	0.5
61.98827	1.3
71.90060	0.5
73.12326	0.5
78.95910	2.3
83.05025	34.3
96.96029	1.4
107.73705	0.5
109.81650	0.4
116.92910	0.5
148.47530	0.5
148.85316	0.6
152.99545	1.3
205.12387	0.7
221.11841	0.6
231.58765	0.5
233.94800	0.6
259.20642	4.0
277.21628	0.6
303.19647	100.0
304.20035	5.1
347.33038	0.6
380.38019	0.5
421.00372	0.8
448.89597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72106	0.3
57.03453	2.4
59.01374	0.5
59.63463	0.4
67.74088	0.3
68.60718	0.3
69.16003	2.2
80.02678	0.5
81.03473	3.3
83.01382	2.5
93.03491	1.8
94.84572	0.3
95.01402	0.6
95.05048	2.6
97.02951	5.9
105.03400	0.5
108.02163	0.9
109.02957	24.3
110.03369	0.4
119.04997	0.5
121.02966	3.8
122.03733	1.7
123.04525	15.1
124.04854	0.4
125.02451	14.9
135.04527	2.3
135.05354	0.3
137.02463	7.7
138.03218	0.8
138.89140	0.4
139.04030	3.4
145.02942	0.8
146.03700	1.0
147.04556	0.6
149.02441	8.2
150.03172	1.2
151.04019	7.9
152.01138	0.6
157.06621	0.6
159.04498	2.3
160.05292	1.9
161.02437	0.8
161.06085	4.8
162.03229	1.6
163.04015	1.4
164.01131	2.6
164.04790	3.1
165.01947	4.3
166.02582	0.7
167.03467	1.7
173.06123	0.9
174.03276	0.5
175.04033	2.1
175.07602	1.3
177.05615	0.5
179.03494	5.1
179.07098	0.8
185.06026	1.2
187.03998	4.1
188.04823	3.8
193.01401	1.6
199.07692	0.8
201.05589	0.7
202.06374	1.8
203.07140	11.8
204.07532	0.5
205.05032	7.6
208.03784	4.8
212.04648	0.5
217.08614	1.1
221.08182	2.6
223.06117	12.3
224.06534	0.4
227.07080	1.8
229.05086	0.4
231.02962	0.9
245.08183	17.3
246.08482	0.7
247.06067	0.9
271.06067	0.5
276.14673	0.4
289.07178	100.0
290.07507	3.4
385.11493	3.2
387.16409	1.1
434.97501	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16189	0.2
54.61599	0.2
55.01883	1.5
57.03453	1.4
57.19376	0.3
58.00594	0.9
59.01380	63.8
61.98502	0.3
63.52913	0.3
66.79510	0.3
67.01892	0.3
68.99834	0.4
69.03454	2.6
69.51435	0.5
71.01382	40.8
72.99308	1.7
73.02944	7.9
75.00877	1.2
75.49533	0.3
79.12183	0.3
81.03452	2.3
83.01391	4.7
83.05035	0.7
85.02952	9.2
86.00114	0.5
87.00875	9.0
87.04514	0.7
89.02444	36.2
90.68291	0.3
91.04020	0.8
95.01383	3.3
95.05066	0.3
96.37830	0.3
97.02950	7.5
98.21917	0.4
99.00886	2.0
99.04536	0.6
101.02444	32.0
103.00372	0.4
109.02937	0.7
111.00913	0.7
111.04535	1.2
113.02454	16.6
115.04005	0.8
119.03508	11.7
121.02977	0.8
123.00919	0.5
123.04619	0.3
124.01679	0.5
125.02448	14.2
127.03987	0.4
131.03519	1.8
133.05112	1.5
137.02284	0.3
139.03999	1.0
141.02002	0.6
142.02773	0.3
143.03496	6.5
149.04585	1.2
151.04086	0.4
161.04565	7.6
167.03510	1.0
169.05035	0.7
171.03033	0.4
179.05614	6.6
185.04572	0.9
199.06155	0.9
203.05670	0.6
217.07159	1.0
221.06679	2.5
221.81590	0.3
233.06485	0.3
233.22827	0.7
235.08224	14.7
245.06721	1.0
253.09309	3.6
259.20557	0.6
263.07678	2.0
275.20038	0.3
277.09357	1.0
277.21719	100.0
278.22086	3.7
287.07742	4.5
291.23123	0.5
305.08786	4.6
323.09802	1.8
361.11453	0.6
379.12500	1.3
397.13486	93.7
398.13739	3.1
415.14548	38.6
416.14874	0.9
552.91425	0.3
675.35760	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3598
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.4
57.03459	1.9
58.00592	0.7
59.01380	58.2
67.53635	0.3
68.99849	0.4
69.03457	3.2
71.01382	39.1
72.01727	0.5
72.99317	1.4
73.02948	7.5
75.00890	0.9
79.06749	0.4
80.86118	0.4
81.03452	2.0
83.01381	4.5
83.05054	0.4
85.02948	8.4
86.00123	0.5
87.00877	10.6
87.04565	0.3
89.02446	35.0
91.04034	0.8
93.03503	0.4
95.01382	2.7
97.02950	6.8
99.00871	1.8
101.02448	33.4
102.02777	0.4
103.04037	0.4
109.02943	0.5
111.00903	0.6
111.04530	1.5
112.01692	0.4
113.02450	15.3
115.04070	0.8
119.02649	0.6
119.03507	11.7
121.02966	1.1
123.00869	0.3
124.01698	0.4
125.02451	14.0
127.04065	0.7
129.01863	0.4
131.03522	2.2
133.05067	1.6
139.04005	1.1
141.01958	0.7
143.03505	7.0
143.52974	0.3
149.04567	1.1
153.21638	0.3
159.03082	0.3
161.04562	7.6
167.03516	1.0
169.05051	0.5
179.05617	8.1
181.05124	0.4
182.13075	0.3
185.04575	0.7
199.06099	0.6
209.04337	0.3
217.07199	1.2
221.06525	2.5
233.22874	0.4
235.08223	15.7
236.08389	0.3
245.06657	1.0
253.09286	3.9
259.20493	0.6
263.07666	1.4
275.20123	0.4
277.09308	1.0
277.21725	99.7
278.22018	3.0
287.07721	4.1
305.08771	4.8
323.09851	2.2
361.11383	0.8
372.91245	0.5
379.12396	1.5
397.13501	100.0
398.13840	2.3
413.16507	0.4
415.14569	36.4
416.14804	1.1
470.83624	0.3
629.20642	0.4
631.06720	0.4
675.35321	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	8.9
59.31844	4.1
61.98827	11.1
67.75779	4.3
71.01376	9.2
71.05018	6.0
73.76850	3.4
80.11584	3.5
84.56194	4.0
86.00084	3.7
99.04504	7.8
103.92032	31.9
115.88408	4.1
117.05589	16.7
122.89439	14.0
124.89120	5.8
125.87302	19.2
127.87078	32.1
130.87561	4.2
141.91251	7.6
142.87589	8.1
144.87270	11.8
148.91002	42.1
150.90710	20.6
157.86322	5.0
159.85999	5.6
161.08195	88.9
161.13106	4.1
165.91238	13.8
171.99814	5.1
178.92029	5.5
180.91698	4.7
186.88393	8.8
187.38391	3.8
212.17392	5.1
217.34325	4.5
218.33281	3.7
246.90616	6.6
249.93399	21.6
251.93118	9.0
277.21564	7.1
323.96921	11.0
405.08459	5.5
411.14008	5.2
602.10040	5.2
602.19586	100.0
603.19568	6.2
604.19543	49.6
605.18335	7.8
638.16870	13.9
639.16632	5.3
640.16937	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.8
57.03458	1.0
58.00587	0.7
59.01380	56.3
60.01707	0.4
69.03445	2.5
71.01381	34.2
71.43954	0.6
72.99302	1.2
73.02941	6.3
75.00872	0.8
78.95901	1.2
81.03461	1.8
83.01389	3.7
83.05008	0.5
85.02953	7.2
87.00877	7.4
89.02448	31.8
91.03992	1.0
95.01376	2.3
97.02950	6.6
99.00896	1.8
101.02444	26.8
107.27311	0.5
109.02952	0.5
111.04519	1.4
113.02450	15.6
115.04012	0.9
118.99244	3.2
119.03507	9.1
124.01581	0.5
125.02447	11.3
131.03496	1.9
133.05096	1.0
139.04013	1.3
139.22937	0.5
141.01924	0.8
143.03514	5.5
149.04694	0.7
152.99579	1.5
161.04593	5.6
161.08206	1.4
162.08582	0.6
162.98216	1.3
167.03523	0.6
169.05171	0.7
179.05609	5.7
185.04518	0.9
199.06104	0.8
217.07266	0.8
219.05043	0.6
221.06664	1.9
235.08206	13.7
253.09326	3.8
261.22290	0.7
263.07761	1.4
277.09250	1.0
277.21811	0.7
279.23294	100.0
280.23621	5.6
287.07751	2.4
293.24890	0.6
305.08798	3.6
323.09784	1.9
379.12466	0.8
397.13495	88.7
398.13922	3.9
415.14566	32.6
416.14987	1.7
499.03448	0.5
595.28955	1.1
672.75476	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.3
57.03458	0.9
58.00588	0.6
59.01380	52.9
60.01711	0.3
61.98802	0.2
67.01907	0.3
68.99808	0.5
69.03459	2.1
69.68676	0.4
71.01382	33.1
72.01726	0.5
72.99314	1.5
73.02949	6.3
73.03362	0.4
75.00864	0.8
78.95886	0.2
81.03453	1.5
83.01389	4.2
83.05048	0.2
85.02952	7.4
86.00131	0.4
87.00877	7.4
87.04510	0.2
89.02446	28.5
90.02782	0.3
91.04021	0.7
93.03452	0.3
95.01388	2.4
95.05070	0.2
97.02954	6.0
98.21862	0.2
99.00878	1.9
99.04515	0.4
100.41599	0.2
101.02445	27.2
102.02792	0.3
103.00395	0.4
103.04005	0.3
109.02959	0.7
111.00906	0.5
111.04533	1.0
112.01665	0.3
112.86775	0.2
113.02453	13.2
115.03996	0.8
119.02647	0.4
119.03502	8.1
121.02976	0.6
123.00927	0.2
123.04560	0.3
124.01648	0.5
125.02454	11.0
126.02786	0.2
127.04043	0.6
129.01936	0.3
131.03520	1.4
133.05077	1.0
135.04547	0.3
137.02431	0.2
139.03973	1.3
141.01947	0.7
143.03503	5.6
144.03818	0.3
145.52431	0.2
149.02495	0.2
149.04533	1.0
157.05045	0.2
161.04564	6.4
167.03499	0.7
169.05145	0.5
171.02925	0.2
179.05615	5.6
181.05002	0.2
185.04591	0.9
189.49864	0.2
193.33546	0.2
199.06068	0.5
203.05655	0.5
217.07172	1.0
219.05098	0.5
221.06668	2.7
235.08217	12.8
236.08504	0.4
245.06792	0.9
253.09277	3.1
261.22314	0.4
263.07669	1.4
277.09305	0.9
279.23285	100.0
280.23630	6.4
287.07727	2.8
288.08255	0.2
293.24850	0.4
305.08771	3.8
323.09787	1.9
361.11365	0.6
379.12378	0.8
397.13483	81.1
398.13846	4.5
415.14554	31.1
416.14905	1.5
429.37796	0.2
466.52756	0.2
619.14355	0.2
677.36829	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55963	0.2
63.38536	0.2
67.82288	0.2
73.59195	0.2
80.05019	0.2
81.03459	7.4
82.06626	0.5
83.05029	18.7
84.05360	0.3
93.05194	0.2
93.30301	0.2
100.07696	0.3
107.06135	0.4
108.04564	0.5
120.56287	0.2
124.83916	0.2
125.07185	1.4
126.05636	0.5
143.08269	0.6
157.13503	0.2
199.18097	0.2
207.15033	1.5
224.17699	2.5
225.16086	14.4
226.16438	0.5
242.18736	1.0
259.40607	0.2
290.22388	0.3
309.21732	0.9
324.26425	0.8
333.23041	0.9
341.29324	1.4
351.24149	0.2
367.27026	1.5
407.33792	0.2
433.31628	1.5
450.34467	1.7
451.32886	7.3
452.33057	0.5
516.39172	0.3
550.43201	1.3
559.39752	0.5
565.44257	0.4
577.41528	0.2
593.43903	0.6
659.49030	1.6
677.49670	100.0
678.49976	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	677.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55963	0.2
63.38536	0.2
67.82288	0.2
73.59195	0.2
80.05019	0.2
81.03459	7.4
82.06626	0.5
83.05029	18.7
84.05360	0.3
93.05194	0.2
93.30301	0.2
100.07696	0.3
107.06135	0.4
108.04564	0.5
120.56287	0.2
124.83916	0.2
125.07185	1.4
126.05636	0.5
143.08269	0.6
157.13503	0.2
199.18097	0.2
207.15033	1.5
224.17699	2.5
225.16086	14.4
226.16438	0.5
242.18736	1.0
259.40607	0.2
290.22388	0.3
309.21732	0.9
324.26425	0.8
333.23041	0.9
341.29324	1.4
351.24149	0.2
367.27026	1.5
407.33792	0.2
433.31628	1.5
450.34467	1.7
451.32886	7.3
452.33057	0.5
516.39172	0.3
550.43201	1.3
559.39752	0.5
565.44257	0.4
577.41528	0.2
593.43903	0.6
659.49030	1.6
677.49670	100.0
678.49976	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	680.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11090	53.8
59.01345	61.0
61.98843	100.0
63.03296	73.0
128.44554	58.1
296.44409	59.6
311.87872	73.9
321.58661	68.0
353.64520	58.5
425.98532	61.2
647.68475	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68211	0.5
56.47524	0.4
61.98832	100.0
68.05723	0.4
70.50899	0.5
71.41242	0.5
78.95919	0.7
81.73787	0.4
122.61613	0.6
158.64172	0.5
271.63745	0.6
400.78864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.8
57.03460	1.1
58.00593	1.3
59.01381	100.0
61.89104	0.7
71.01383	59.2
72.99300	1.6
73.02956	1.5
75.50048	0.8
83.01379	1.2
85.02958	9.3
87.00878	3.1
87.05628	0.7
89.02448	73.9
95.01369	3.8
101.02442	24.9
113.02456	22.4
119.03513	26.8
131.03508	2.9
143.03516	5.7
149.04552	3.1
159.74376	0.8
161.04564	6.9
179.05614	21.7
261.99261	0.8
278.34940	0.8
333.68420	0.9
339.12369	1.5
381.13336	1.9
388.06601	0.9
413.35760	0.9
501.17648	8.8
661.61707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52799	0.7
57.03434	1.7
58.00582	2.4
59.01379	100.0
64.20400	0.7
69.31688	4.2
71.01382	56.1
72.99298	2.1
73.02944	1.1
73.13825	0.8
74.63888	0.8
79.91543	0.7
83.01398	1.5
85.02946	9.7
87.00874	3.2
89.02446	76.1
95.01376	4.5
101.02438	25.7
113.02441	22.1
115.07598	0.7
119.03503	29.8
131.03500	3.4
143.03482	5.2
149.04547	3.2
161.04567	5.8
179.05617	19.9
188.69939	0.8
339.12421	1.1
381.13525	1.5
419.27435	0.9
429.86996	0.8
501.17664	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	681.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
62.00745	1.8
64.62790	1.7
70.97198	1.9
78.42896	1.9
78.95884	4.3
99.08157	5.5
107.50332	2.0
125.09688	4.3
127.11295	3.2
139.11295	15.2
165.08963	4.1
165.12810	11.8
171.10254	29.6
176.94318	2.0
183.13860	2.0
193.08444	37.2
205.12155	2.8
211.13391	13.6
215.10448	1.7
221.11560	4.8
227.79277	1.7
229.14458	7.3
231.10033	5.2
233.11578	56.5
249.11099	10.8
251.12471	9.8
281.41354	1.8
329.23315	100.0
330.23795	5.9
351.21506	67.7
352.21893	2.2
395.20599	3.1
524.46100	2.0
542.37909	1.8
681.45367	25.9
682.45453	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03000	0.7
59.01377	41.8
69.17052	4.6
71.01368	0.8
71.16845	0.6
72.99314	5.3
82.95379	0.7
103.05525	1.8
112.98811	2.4
119.05032	5.8
134.03670	1.9
135.04578	3.8
147.04520	100.0
148.04865	3.6
158.34180	0.8
165.05566	90.7
166.05908	3.6
178.02669	0.7
179.03511	2.5
193.05099	2.2
207.06621	50.7
208.07002	2.0
219.02954	1.0
253.07118	1.1
281.04510	1.6
283.06104	4.8
293.03235	1.2
311.05609	8.9
316.44873	0.8
341.06577	2.3
389.12408	1.4
431.09732	10.8
438.01416	0.8
590.00262	0.9
664.74213	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	2.0
62.03155	1.7
69.09384	3.0
69.09786	9.2
75.10442	1.4
78.02821	1.5
78.95919	1.9
105.99702	1.4
128.29771	2.0
197.07156	3.8
211.08749	2.7
223.12302	1.9
225.06671	3.5
225.13860	2.3
226.07545	2.5
237.06761	1.8
251.11765	1.5
263.29132	1.9
265.06311	1.8
269.09619	1.6
375.09506	1.7
434.17273	2.0
463.17413	1.8
469.22705	1.8
477.19479	2.6
490.16327	4.7
491.17102	3.6
504.17865	7.9
505.18784	9.5
506.19290	2.5
545.18335	4.6
565.20856	2.7
591.22473	4.5
592.23517	4.2
593.24310	2.8
651.24585	100.0
652.25214	20.6
683.27228	42.8
684.27527	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	683.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90278	1.5
57.03441	5.3
59.01377	5.8
61.98825	12.6
71.01369	3.5
83.05083	2.3
85.02943	2.6
87.00892	2.4
89.02446	3.3
89.56974	1.6
97.06594	17.5
101.02445	4.4
107.78888	2.0
108.08293	1.7
113.02451	2.3
116.17753	1.9
123.08173	7.8
125.09727	89.4
187.09764	36.2
197.07198	3.6
225.06696	2.5
225.14043	2.7
235.08243	2.2
235.48015	1.8
277.21732	37.5
405.17480	2.9
407.57635	1.8
423.18631	5.7
477.19327	3.0
490.16330	4.8
491.17056	5.6
504.18103	8.8
505.18616	10.3
506.19659	2.8
545.18860	2.3
591.22705	4.2
592.22900	4.7
593.23914	3.1
651.24677	62.4
652.25098	15.4
683.27234	67.7
683.40149	100.0
684.27283	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	683.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76764	2.3
55.01872	5.9
57.03444	3.1
57.14329	2.1
59.01075	5.4
59.01378	96.3
61.60261	2.3
61.98834	11.3
68.63100	2.0
70.70869	2.3
71.01382	68.6
71.40318	2.3
73.02947	23.5
83.01382	16.4
85.02956	43.3
87.00877	3.8
89.02438	11.1
89.50188	2.3
95.01387	7.8
96.96007	5.7
97.02988	4.2
97.91972	2.4
99.00868	9.3
101.02441	51.8
111.00838	3.8
113.01811	3.2
113.02460	33.3
119.03494	5.0
125.02464	3.8
127.96063	1.9
131.03513	3.1
143.03506	4.9
159.02980	7.3
161.04553	26.7
193.68825	2.5
196.10284	2.3
234.57703	2.1
279.34692	2.1
371.94568	2.5
479.29883	12.2
521.31250	4.4
641.35394	52.4
644.17834	2.5
683.36481	100.0
684.37189	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	683.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
55.79876	0.2
57.03451	0.6
59.01381	100.0
60.01720	0.4
61.98838	0.3
69.37936	0.6
69.38322	0.6
71.01382	15.3
73.02944	5.5
83.01408	1.8
83.33634	0.3
85.02953	4.4
87.00904	0.8
89.02448	12.0
95.01427	1.2
96.67587	0.3
99.00900	0.5
101.02448	9.6
101.03096	0.5
113.02448	6.3
119.03498	4.8
119.04288	0.3
125.02477	0.5
131.03539	0.8
133.54115	0.3
141.00827	0.3
143.03494	1.4
149.04572	0.8
155.03291	0.3
155.04581	0.3
161.04538	3.3
168.18948	0.3
179.05620	3.1
220.25760	0.3
221.14308	0.3
388.11441	0.3
461.28723	0.4
601.74567	0.3
623.34338	3.3
641.35858	1.6
683.36432	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20150	0.7
57.03435	3.4
59.01374	8.8
61.98837	2.1
69.61881	2.9
71.01384	4.7
83.05019	1.0
89.02439	5.2
91.82000	0.9
95.05019	1.5
97.06590	12.8
101.02447	2.3
113.02456	1.1
119.03556	1.3
123.08160	6.1
125.09734	100.0
126.10046	2.0
143.10748	1.8
169.08719	2.7
187.09767	65.6
188.10138	1.8
211.09769	1.0
220.24031	1.1
222.01270	0.8
253.09282	2.6
260.82904	0.8
261.13470	0.9
277.21698	16.0
313.41757	0.9
405.17697	4.6
405.22125	0.9
423.18665	12.5
463.22604	0.9
683.40094	91.5
684.23639	1.2
684.40430	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21894	0.9
54.66624	0.9
57.03426	4.2
59.01359	4.3
61.98834	9.7
71.01366	4.4
73.02946	1.7
74.99474	1.0
78.95908	1.5
83.05017	1.2
85.02935	2.0
87.00889	1.6
89.02422	3.8
95.05024	1.8
95.66234	1.0
97.06586	15.6
101.02399	4.9
113.02403	3.3
123.08163	8.1
125.09724	80.7
126.10049	2.1
161.04532	2.1
162.54216	1.0
169.08636	2.1
187.09756	33.7
188.10095	1.1
211.08647	1.3
235.08162	2.4
253.09227	2.9
277.21732	42.3
278.22061	1.6
327.98273	1.1
405.17694	5.0
423.18671	4.2
478.47699	1.1
504.17834	1.9
505.18701	2.5
591.22443	1.5
651.24603	14.7
652.25214	4.9
683.27368	16.4
683.39893	100.0
684.27417	4.2
684.40295	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	684.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
69.23731	2.0
69.24146	3.6
72.04192	1.1
73.27625	1.0
78.97066	0.9
109.92135	1.0
250.44649	1.0
265.33551	0.9
268.01248	1.0
438.13272	2.5
452.14847	1.3
481.15179	20.2
482.15530	4.2
495.17154	4.6
496.16876	1.6
540.16504	11.7
541.16614	1.4
554.17896	3.4
555.18854	57.4
556.19342	11.2
572.15576	6.3
586.17090	1.7
609.19611	1.3
638.09766	1.1
641.22546	26.5
642.22394	5.4
684.23090	100.0
685.23419	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	684.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93763	2.5
61.98817	7.5
75.97691	2.8
98.05570	2.5
98.21795	5.0
172.93001	3.0
240.34138	2.8
309.31772	2.7
332.48944	2.7
353.36270	2.6
481.15155	26.5
495.16721	6.3
495.44785	3.0
496.16956	3.2
540.16528	12.0
554.18506	2.9
555.18835	63.7
556.18878	5.8
572.15503	11.4
641.22455	24.5
647.29431	2.9
684.23132	100.0
685.23010	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	685.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73911	2.1
59.01382	4.5
69.56581	6.5
84.32175	2.4
97.64510	2.2
101.65827	2.1
106.07240	2.2
119.03523	2.6
120.99652	8.2
135.04549	2.8
144.31718	2.1
162.03293	2.1
163.04019	17.8
175.04060	3.1
177.05519	3.2
178.06340	6.8
191.98885	5.2
192.04240	8.8
192.99661	22.1
193.08696	3.2
207.01199	8.0
207.06616	18.6
208.01970	35.0
211.04355	3.7
223.04349	100.0
241.05405	17.8
265.05563	2.5
267.13666	2.3
329.06973	27.0
403.10718	22.1
405.03165	2.7
491.12234	33.4
656.82574	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	685.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81893	2.1
50.86688	1.6
59.01381	44.5
63.45074	1.8
65.52563	1.6
70.82755	3.3
71.01385	19.8
73.02949	13.3
83.01386	1.9
85.02967	5.4
89.02451	13.1
101.02465	13.8
113.02461	10.7
119.03514	4.9
130.59338	1.6
150.50986	1.8
244.56964	1.8
301.21719	2.3
335.21335	1.8
463.27075	4.0
481.28281	13.8
523.29156	100.0
524.29309	5.7
531.00262	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	685.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97197	0.3
55.01869	1.5
57.03446	1.2
59.01378	100.0
60.01711	0.6
61.98828	1.4
70.95678	0.4
71.01380	17.6
72.99321	0.5
73.02945	5.7
75.00862	1.3
83.01382	3.1
84.02182	0.3
85.02950	8.9
87.00895	1.0
89.02444	3.4
95.01395	1.9
96.95999	0.3
97.02941	0.8
99.00870	2.3
101.02443	12.8
106.06641	0.3
107.82841	0.3
111.00924	0.3
113.02449	6.8
113.03246	0.4
119.03509	1.0
125.02485	0.5
129.01978	0.4
134.06129	1.8
135.04546	0.9
143.03503	0.8
147.33470	0.3
152.07173	0.4
159.03009	1.6
161.04553	7.5
161.05847	0.5
166.79016	0.3
171.96266	0.3
178.52679	0.3
222.51242	0.2
223.06361	0.6
223.42595	0.3
238.08810	1.1
270.11371	1.1
282.07654	0.7
314.10349	0.4
417.18298	0.3
463.30673	0.4
464.31143	0.3
481.31857	2.6
597.24341	0.5
609.21344	0.4
625.35944	4.4
626.36084	0.4
641.24207	0.5
643.36884	7.2
644.37164	0.7
685.22534	10.4
685.35663	0.5
686.22266	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	686.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45713	0.6
61.98830	41.6
70.71017	0.6
71.44594	0.7
79.15842	0.7
79.96767	0.6
85.32875	0.7
107.01380	0.7
112.98746	0.8
123.04460	0.7
125.02455	1.7
125.30825	0.7
135.04529	0.8
145.02834	0.8
151.00369	2.5
161.02243	0.7
170.55547	0.6
194.29187	0.7
199.04008	2.5
203.03525	0.8
209.57640	0.6
215.03581	1.0
216.40994	0.6
226.02660	1.2
227.03499	3.0
236.48756	0.6
242.02214	1.8
243.02982	14.5
244.03485	1.2
255.02971	9.5
256.03333	0.8
257.04593	2.4
258.73508	0.6
270.01724	2.4
271.02484	26.2
272.03110	3.0
285.03976	3.8
286.04645	1.6
287.05606	1.3
299.01993	24.7
299.05408	1.3
300.02728	24.7
301.03073	1.3
314.04321	34.3
315.05099	63.8
316.05438	3.9
350.78677	0.8
437.13577	1.2
623.16156	100.0
624.16504	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	686.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42943	0.9
59.01380	29.4
60.71829	1.1
61.98822	3.7
69.68902	1.6
71.01379	12.4
73.02927	1.5
74.07161	0.8
83.01386	1.2
85.02962	2.5
89.02443	15.0
89.02959	1.6
90.98592	1.9
95.01373	1.0
101.02447	11.4
113.02421	5.4
119.03506	6.6
142.62431	1.1
166.07076	0.9
183.79587	1.1
218.28046	0.9
301.21768	1.4
343.67361	1.0
383.05316	0.9
428.95914	0.9
481.28091	100.0
482.28445	5.3
595.70361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63139	1.4
59.50976	1.4
65.26633	1.4
71.44606	1.5
84.93862	1.6
85.88652	1.4
88.89131	1.6
90.63774	1.3
99.92587	66.2
100.92669	2.2
100.93365	9.5
115.92076	14.3
116.92860	5.2
124.84777	1.5
126.94968	1.4
145.46004	1.2
153.40306	1.6
190.07562	1.2
208.15785	1.4
239.71097	1.7
260.91888	1.4
279.23483	1.6
301.21732	43.7
302.22125	3.6
384.14008	31.3
385.14578	3.5
424.47940	1.7
452.59003	1.7
686.36407	100.0
687.36633	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	43.2
61.75620	0.4
68.62300	0.4
70.87236	0.6
71.01389	1.5
73.02937	2.3
83.05042	0.6
89.02429	0.6
99.08155	14.2
101.02427	1.7
109.68535	0.3
113.02457	0.9
119.03500	0.3
127.07652	17.9
128.07974	0.5
145.08701	100.0
146.09035	2.5
161.04530	0.7
180.02382	0.3
187.09749	57.9
188.10107	1.1
306.75006	0.4
355.88800	0.4
627.33472	0.5
629.49469	0.4
702.99805	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.4848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59857	0.2
69.05667	0.2
69.64416	0.8
75.56863	0.2
78.95901	0.2
98.21859	0.4
273.22128	0.2
298.62134	0.2
301.21729	0.4
319.22775	100.0
320.23129	7.3
459.87860	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.17
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69875	0.6
51.04530	0.6
59.01379	23.1
61.75228	0.6
69.17393	1.8
69.17805	2.2
71.01381	5.5
73.02940	2.6
81.03463	0.8
85.02952	3.0
89.02448	2.3
89.60573	0.6
96.17650	0.7
96.96009	1.4
98.22666	1.5
101.02442	1.5
103.03999	1.4
128.03540	0.7
176.19568	0.7
218.12386	0.7
280.03760	3.9
284.03259	2.1
296.03143	1.1
297.04071	5.4
298.04831	7.6
299.05646	3.6
307.02505	2.3
308.03250	20.5
309.04010	3.6
310.04803	1.9
311.05478	2.0
312.06207	1.9
323.05579	35.7
324.06033	1.3
325.07117	1.2
337.03635	0.9
338.04233	1.4
339.05325	1.2
341.06628	6.4
344.05438	1.9
350.04425	0.8
353.06604	4.1
354.06860	0.7
363.04813	4.6
365.06625	1.5
371.07736	6.3
383.07672	2.0
418.12338	0.7
423.05725	0.9
428.07413	1.1
435.05997	1.0
443.09830	10.6
465.06873	1.7
487.11932	0.8
509.10660	8.2
536.70050	0.7
607.16669	100.0
608.17078	10.5
629.14325	8.7
647.15027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30265	0.4
57.03461	0.5
59.01381	53.1
61.98816	0.6
69.03439	0.5
70.97853	0.6
71.01367	2.9
73.02953	4.2
74.94312	0.4
83.01402	0.8
85.02983	0.8
85.06589	10.9
88.98809	0.5
89.02442	1.2
90.31876	0.4
97.02934	1.0
101.02451	2.6
113.02466	2.6
113.06090	17.6
114.06437	0.6
120.19493	0.6
125.06118	0.8
131.07144	100.0
132.07437	2.5
138.06879	2.6
139.07663	0.9
149.04506	0.6
151.07674	2.0
152.07216	0.9
152.08385	4.1
153.09209	18.5
154.09590	0.5
161.04590	0.9
165.09145	0.7
173.08188	46.5
174.08557	0.8
203.05682	1.0
205.12328	6.6
223.13402	6.2
241.29744	0.5
299.82779	0.5
326.56183	0.5
367.17575	6.4
385.18637	1.9
427.19757	11.9
428.20193	0.7
689.34912	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44544	0.6
55.01861	0.8
55.47349	0.6
55.86083	0.7
56.45214	0.6
57.03455	1.8
57.85272	0.6
59.01379	28.6
61.98822	0.6
69.03448	0.7
71.01009	1.3
71.01379	13.6
73.02940	5.4
83.01379	3.1
85.02953	6.9
87.00883	1.1
88.98750	0.7
89.02438	3.3
95.01397	1.3
97.02938	1.0
99.00895	1.9
100.86755	0.6
101.02437	11.7
113.02472	6.4
119.03507	1.1
121.02947	1.4
125.02428	0.7
126.70603	0.7
135.65860	0.6
143.03482	1.1
161.04500	0.8
191.03502	0.9
279.19641	2.2
423.24002	3.7
441.18750	1.2
441.24927	24.4
442.25305	1.8
467.00568	0.7
483.25995	100.0
484.26352	7.0
489.19946	0.9
494.41287	0.7
528.96716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04037	4.5
54.04602	4.9
54.89048	5.0
56.73205	4.6
57.70193	4.4
59.01367	16.5
59.18422	4.5
61.98823	14.3
71.01373	14.6
82.94104	4.6
85.02972	5.7
89.02451	11.2
95.06440	5.3
95.07018	4.9
101.02432	10.4
113.02484	6.6
135.96033	4.7
154.21219	5.1
160.08836	5.1
255.23318	36.9
277.21643	6.5
377.14285	6.3
397.13455	100.0
415.14532	29.8
416.15082	5.4
653.37494	12.5
689.35034	82.8
690.35504	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	689.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	27.8
61.98830	16.0
78.95911	19.1
89.02442	13.2
96.65569	9.0
96.96024	14.0
101.02472	19.2
137.43814	8.5
235.08322	9.9
255.23216	26.4
339.65277	9.1
356.71738	8.8
397.13489	100.0
415.14465	32.2
597.70721	9.3
674.02399	11.2
689.34869	79.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49424	0.4
57.03447	2.9
61.07780	0.4
63.40833	0.4
72.73184	0.4
80.62589	0.5
81.03461	2.7
83.01389	3.1
93.03470	1.2
95.01388	0.5
95.05029	3.2
97.02956	6.9
99.59819	0.4
109.02957	23.3
112.98815	0.8
121.02972	3.3
122.03746	1.3
123.04528	15.4
125.02448	15.3
135.04539	2.9
137.02451	9.3
138.03160	0.6
139.04008	2.6
143.05064	0.6
145.02966	1.7
146.03751	1.2
146.08263	0.8
147.04521	0.8
149.00932	0.8
149.02435	2.9
150.03212	1.1
151.04037	7.4
159.04504	2.5
160.05339	1.2
161.02444	0.9
161.06084	4.3
162.03244	1.7
163.04008	1.1
164.01151	2.9
165.01929	3.4
167.03448	1.5
173.06084	1.2
175.04057	1.4
175.07643	1.6
177.05583	0.9
179.03482	7.1
185.06100	1.1
187.04033	4.3
188.04785	3.2
199.07613	0.5
201.05458	0.9
202.06358	1.5
203.03471	0.9
203.07141	12.9
204.07439	0.5
205.05043	8.7
221.08188	3.5
227.07079	2.3
229.05228	0.5
230.05913	0.9
231.02936	0.5
245.08183	16.5
246.08531	0.6
247.06123	1.1
273.25183	0.5
277.03537	1.3
285.97186	0.5
289.07178	100.0
290.07623	3.8
309.09488	0.6
430.15015	0.4
516.27740	0.5
534.77985	0.6
700.98645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50116	0.3
59.01381	39.2
60.01706	0.4
69.51859	1.1
71.01382	0.6
80.98222	0.3
85.02969	0.4
85.06593	11.6
86.06939	0.3
96.96011	1.2
113.06091	17.4
114.06451	0.5
131.07147	100.0
132.07484	2.2
153.09268	0.4
168.02246	0.3
173.08192	52.1
174.08546	1.7
175.08719	0.3
387.19913	0.4
429.20654	0.5
480.79562	0.3
534.19098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21018	0.8
69.03452	24.1
69.27441	3.7
78.95899	2.0
87.04510	19.3
107.08768	0.9
108.91070	0.9
113.77699	0.9
136.68915	0.9
152.99590	2.8
277.21628	2.6
301.21722	78.5
302.21973	5.4
319.22757	3.4
389.26950	100.0
390.27335	6.3
394.46869	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48492	1.0
59.01393	4.7
60.93687	0.9
68.99806	2.6
69.93996	2.5
72.99315	6.8
84.95129	5.3
85.01169	0.8
87.00887	5.2
96.96026	2.0
102.49902	0.9
111.00903	2.2
112.98817	7.6
114.93367	1.3
117.03442	4.2
119.05027	33.7
121.02930	1.6
127.00375	1.2
129.03490	1.1
130.99818	2.3
133.02895	2.1
135.04573	1.4
143.04984	1.9
145.02956	16.6
147.04524	22.3
152.21080	1.0
154.99768	0.9
161.06050	4.0
163.04010	14.7
165.05556	6.6
169.50888	0.9
171.04482	1.0
175.04015	10.8
177.05554	1.1
189.05560	2.6
203.03499	48.4
207.06604	2.7
215.03494	8.0
233.04553	2.2
259.02429	3.5
274.57404	1.0
277.03522	100.0
278.03879	2.2
356.18103	1.2
441.08044	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31974	3.1
59.01369	14.5
61.87679	3.1
61.98827	10.8
71.01387	5.4
78.24763	2.9
89.02450	5.2
96.96023	4.8
101.02425	3.5
113.02448	4.9
116.92889	18.0
127.92789	2.8
170.41040	3.2
177.52954	3.1
210.98503	4.0
211.73314	3.8
243.21077	6.3
247.72514	3.2
289.21716	42.6
315.19455	7.7
333.20691	82.6
334.20840	4.4
342.36935	3.5
409.17297	4.1
495.26016	100.0
496.26544	9.4
539.95782	4.2
693.29108	22.0
693.49329	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	693.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
56.41340	0.9
59.01376	11.3
61.98835	6.7
69.16042	2.9
69.16468	3.4
71.01371	5.3
82.28001	0.9
85.02991	1.3
89.01960	1.4
89.02418	5.8
96.96079	0.8
101.02474	3.0
113.02453	3.7
115.92153	1.1
119.03506	3.3
149.04593	1.4
161.04561	1.1
179.05618	3.2
271.20663	2.8
289.19052	0.9
289.21716	59.1
290.22055	3.5
315.19595	5.4
333.20697	100.0
334.21051	4.8
375.21692	3.6
435.23953	1.3
495.26001	85.4
496.26346	4.3
693.28796	23.6
694.28937	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91415	0.9
56.26775	1.0
59.01378	12.1
61.98818	1.3
63.94021	0.8
71.01382	10.2
73.02943	2.5
83.01360	1.5
85.02944	4.1
89.02432	6.0
95.01396	1.6
96.96002	0.9
99.00861	2.1
100.03578	1.0
101.02436	8.4
113.02480	5.0
119.03513	2.3
129.07578	0.8
144.42902	0.8
160.00143	0.8
161.04579	1.9
169.72624	0.8
179.05659	1.5
368.15314	0.8
497.27579	100.0
498.28015	10.2
583.57452	1.1
695.30524	25.9
696.31165	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	12.3
61.98823	8.3
68.99538	3.6
71.01369	8.8
83.73579	3.5
91.36395	3.1
92.65003	3.3
101.02423	4.2
116.92802	3.9
120.83573	3.4
145.35460	3.5
145.43774	4.1
152.07121	5.5
157.54472	3.6
191.07315	3.3
193.12102	3.7
197.12738	3.1
215.53641	3.7
236.06976	3.6
248.46742	3.8
275.20398	4.0
291.19525	8.8
309.20636	9.8
317.20944	3.7
335.22263	7.9
442.21729	4.0
455.97025	4.1
497.27588	100.0
498.28043	8.4
545.29565	12.6
588.22388	4.5
695.30414	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79299	1.5
59.01377	13.1
59.41685	1.4
61.98823	4.5
69.84423	1.6
70.88595	1.5
71.01385	8.9
73.02930	2.2
81.82786	1.5
85.02962	2.6
87.00906	2.4
89.02450	10.1
96.97977	1.4
97.02876	2.1
101.02448	8.7
112.98823	14.0
113.02428	4.5
113.09730	2.0
113.20304	1.7
121.02975	6.3
122.03740	6.3
141.09219	1.9
151.06398	4.1
152.07182	26.6
161.04565	3.2
161.81950	1.7
165.12823	2.6
167.14325	1.9
181.12393	4.0
193.12308	2.0
195.13882	2.2
211.13370	3.6
221.15373	2.8
242.05646	2.1
247.20743	4.4
251.16542	3.7
253.09293	21.4
273.18494	2.0
286.10992	2.1
289.18210	3.8
291.19650	51.2
292.19992	3.0
307.19113	11.8
309.20715	100.0
310.17447	1.5
310.21063	7.1
312.08771	2.3
330.09744	2.1
402.04404	1.9
497.27567	4.0
498.27673	4.0
501.63879	2.0
543.28223	14.0
545.29639	96.1
546.29968	8.7
616.89081	1.6
696.36548	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	696.3601
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37109	0.8
54.91081	0.8
57.03440	1.6
59.01378	12.7
61.55256	0.8
61.98830	2.3
65.48736	0.8
69.03488	0.9
69.60629	0.8
71.01383	7.3
73.02940	1.8
83.01390	1.3
85.02973	2.4
85.57867	0.9
89.02457	6.4
97.06596	1.4
99.00903	0.9
101.02468	6.5
102.74403	0.9
111.08138	1.0
113.02419	4.3
113.09758	2.9
115.07672	2.0
119.03504	1.9
121.02972	6.2
122.03756	6.9
126.06841	1.1
139.11327	1.6
151.06436	5.0
152.07184	29.7
161.04562	2.9
163.11295	1.0
165.12834	4.6
167.14436	2.0
181.12387	3.8
183.13802	1.0
191.14421	1.2
193.12299	1.6
193.16122	1.2
195.13954	3.2
211.13451	3.3
213.15028	1.3
221.15454	1.8
229.14490	1.2
237.22375	0.9
240.13737	1.1
245.19124	1.6
247.20598	4.3
253.09256	18.2
258.94339	0.9
263.20227	1.4
273.18637	4.2
281.21259	1.8
286.18884	1.0
289.18060	4.7
291.19681	49.6
292.19980	3.0
292.71594	0.9
307.19119	13.6
309.20715	100.0
310.21127	6.4
311.22189	2.0
345.77103	0.8
442.26086	1.1
460.26895	1.9
497.27499	1.4
498.27924	2.4
515.00494	1.0
527.19189	1.0
532.22473	0.9
543.28241	13.5
545.29706	90.1
546.30151	9.3
696.35986	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	696.381
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	36.2
60.32174	1.4
61.98828	2.9
71.01379	22.1
71.44983	1.6
73.02945	3.1
85.02956	3.7
86.82953	1.4
87.00874	5.7
89.02442	22.0
97.02967	4.1
101.02457	18.4
113.02452	9.4
119.03502	7.0
125.02447	8.6
139.03987	1.8
143.03511	2.8
161.04558	4.1
179.05643	3.9
196.77591	1.3
204.45699	1.6
235.08217	11.1
245.03046	1.7
255.23289	67.6
256.23651	3.4
277.21619	1.7
287.07751	2.6
298.44910	1.5
305.08749	3.6
323.09460	2.1
397.13510	100.0
398.13678	2.8
415.14581	27.5
653.37500	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	697.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64264	2.4
61.98822	20.5
69.53961	8.5
75.25461	1.7
79.09074	2.0
84.51311	1.7
120.04546	3.3
196.20421	1.6
211.08974	1.9
218.00900	1.7
239.08212	2.2
242.12215	2.2
253.09929	2.0
281.09244	2.4
330.12393	2.9
358.11835	2.5
489.15927	2.0
519.16583	6.6
605.21222	2.4
607.21790	8.0
665.22559	25.1
666.23236	15.5
667.24365	3.7
697.25134	100.0
698.25427	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	697.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	6.7
70.98836	1.0
90.97043	1.1
92.05041	1.1
92.58774	0.9
96.11243	1.0
98.18166	1.1
106.06622	1.8
122.06116	1.4
144.13748	1.0
184.15999	1.1
197.07181	6.2
209.10777	1.5
210.07768	1.4
211.08763	4.3
223.08806	2.0
225.06639	6.0
226.07469	4.2
227.08304	4.7
237.10274	4.1
239.08138	2.4
239.11923	4.4
251.08344	1.7
253.06155	2.3
253.09846	1.0
255.07681	1.0
265.09756	1.6
266.10297	1.1
267.07666	2.1
267.11435	1.3
283.10901	1.2
285.08749	1.6
292.78598	1.2
328.40604	1.2
339.10056	1.3
463.17874	2.3
476.14816	1.5
490.16724	2.4
491.17148	5.7
492.17993	1.8
501.14389	1.2
505.14905	1.8
518.15906	6.5
519.16663	9.8
520.17413	3.0
559.16113	1.2
579.19714	2.2
605.20361	6.0
606.20947	2.1
607.21710	2.3
637.22888	1.1
665.22491	59.7
666.23035	18.1
697.25159	100.0
698.25433	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64957	1.1
61.98835	9.8
69.11005	3.4
69.11413	5.5
73.47309	1.2
94.92503	2.7
96.96006	5.7
106.06604	1.8
116.92886	1.4
119.94695	3.3
170.08794	1.5
197.07190	3.0
211.08690	4.3
225.06641	3.2
226.07489	3.7
227.08229	1.9
237.10376	2.2
239.08211	1.9
239.11858	2.6
285.08670	1.6
317.43387	1.5
342.21509	1.6
391.94397	1.8
469.02878	1.5
518.15918	3.9
519.16620	6.5
520.17444	2.8
605.20313	3.2
606.21350	2.2
607.21503	2.0
665.22546	28.9
666.23157	10.4
697.25134	100.0
698.25470	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	697.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70092	1.9
55.08831	1.8
58.02668	2.1
59.01363	2.2
61.98823	20.0
69.01543	2.1
106.06606	2.5
120.04551	3.8
124.61362	2.4
142.44138	2.0
144.02957	2.0
183.39406	2.2
235.44690	2.5
289.94269	2.1
330.12564	2.5
392.10461	2.1
397.13220	4.1
518.15509	2.7
519.16736	6.1
591.18787	3.0
605.20386	5.2
607.21973	6.2
665.22534	39.6
666.23431	16.1
667.23730	5.8
697.25012	100.0
698.25507	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	697.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99942	1.8
61.28202	2.0
61.98835	11.2
69.20612	12.7
72.90559	1.9
89.13809	2.2
106.06662	2.2
112.47659	1.9
134.12679	2.6
211.08905	4.6
444.16245	2.7
445.16049	2.3
459.18106	9.4
472.15134	2.8
473.16388	3.7
487.18118	10.7
488.18509	14.1
489.19135	7.7
503.17505	3.4
518.20001	2.3
519.20648	2.4
531.16919	3.1
533.18964	3.0
546.19427	3.9
547.19861	17.6
548.20203	3.0
575.22894	3.6
601.20557	3.4
605.23273	5.8
606.23712	2.3
633.23596	48.8
634.24225	41.4
635.24976	18.3
665.26233	100.0
666.26648	14.1
697.28833	19.4
697.39142	3.4
698.29425	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	697.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28865	2.7
59.01357	6.8
60.89359	3.2
61.98831	12.0
76.14092	3.1
103.10698	3.1
115.20584	2.9
116.92867	8.4
201.02455	2.9
255.23312	3.8
302.94333	3.0
444.15924	5.6
445.16452	4.3
459.18167	13.3
473.15787	5.4
474.16980	4.8
486.16876	4.1
487.17615	8.5
488.18344	15.5
489.19434	9.1
504.17819	3.4
519.20697	4.3
531.16602	3.6
546.19043	6.1
547.19946	19.0
601.20764	4.2
605.24579	3.3
633.23517	51.8
634.24280	34.6
635.25098	18.9
636.25238	3.7
665.26147	100.0
666.26422	20.7
697.28510	56.1
698.29047	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	698.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54516	1.5
59.01381	17.6
61.98816	3.2
69.12453	11.7
71.01379	8.2
83.01389	1.7
84.98299	1.6
87.90518	1.6
89.02448	6.0
96.29427	1.5
98.21797	3.2
101.02428	5.0
106.06685	2.6
113.02413	2.8
116.92859	3.0
119.03506	2.6
134.06137	14.1
135.26079	1.7
152.07152	2.8
180.06714	2.6
184.57658	1.7
188.07149	5.6
211.08676	1.7
225.10294	2.7
235.08723	2.1
251.08246	3.1
252.08954	3.3
253.09753	7.1
263.08185	2.5
264.09100	2.2
265.09735	2.1
267.11331	3.0
277.09805	1.9
279.07629	4.5
279.11331	5.2
292.08563	2.5
293.09232	6.0
294.10126	3.7
295.10867	13.0
305.09250	2.9
307.10880	10.7
321.08643	5.4
339.09811	4.4
390.06665	1.6
433.31967	1.7
486.16702	2.1
502.15372	3.3
638.22894	2.3
666.23071	100.0
667.23499	6.1
698.25702	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	3.3
59.01382	20.5
67.01885	1.1
69.03456	52.2
69.47504	3.9
71.01027	1.2
71.01382	16.4
73.02939	4.0
81.03488	1.7
83.01377	3.5
85.02948	13.5
87.00872	4.9
89.02438	12.7
93.03465	2.0
95.01393	5.7
95.05026	21.3
97.02934	1.3
99.00893	1.3
99.04543	5.8
101.02441	12.1
107.05038	8.9
113.02450	43.2
113.03248	2.2
119.03481	2.3
120.55963	1.2
125.06065	3.9
128.18362	1.1
133.06512	1.8
143.03424	2.3
151.07655	7.0
161.04504	2.6
169.08754	10.7
179.05614	2.4
213.07677	13.1
221.06696	7.7
282.49164	1.2
357.11801	1.8
611.05756	1.4
699.23505	100.0
700.23834	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	699.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	4.5
72.99300	5.3
74.05571	2.1
81.56503	2.2
87.00883	16.5
94.97394	2.1
96.95995	2.7
96.99280	2.5
102.93954	2.0
103.00362	3.1
109.02925	10.3
112.98798	26.1
130.99872	4.4
133.02931	7.2
134.03700	5.3
135.04527	77.9
137.02435	5.9
139.00369	8.7
147.04503	2.6
149.00911	100.0
151.03984	2.5
155.97244	2.0
159.04469	3.2
161.02437	24.6
163.04012	12.3
177.05615	2.6
179.03482	92.1
180.03807	3.8
191.03481	12.5
205.05028	3.0
219.02972	40.5
231.02989	5.1
275.01913	2.1
289.07190	3.2
292.99759	2.7
293.03012	55.3
311.04074	70.3
312.04407	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	699.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26526	2.2
64.32782	1.9
69.56628	4.1
69.57016	4.5
70.79880	2.0
80.63967	1.6
85.18355	1.9
85.39073	1.9
121.02972	7.2
135.04541	2.8
146.03761	2.4
150.03223	4.8
158.03751	2.2
159.04482	6.3
160.05330	16.0
161.04645	1.9
161.06088	8.9
163.04015	3.8
164.04750	5.1
173.06071	3.5
175.07619	11.4
177.05617	7.8
178.06364	6.7
179.44727	2.1
192.07925	4.6
238.06497	5.8
239.07109	4.0
249.05592	2.8
250.06342	3.2
254.05856	7.1
255.06664	3.8
261.13916	2.3
266.05865	11.4
267.06589	20.2
268.07230	3.0
269.08221	16.0
270.08984	2.4
281.08209	25.8
282.08917	12.1
283.09756	3.1
284.10510	5.5
293.08212	6.3
296.10400	3.8
302.07846	2.5
308.10483	2.8
309.11310	4.4
314.07977	3.9
316.09555	2.7
320.10507	2.8
321.11188	3.0
326.11551	3.2
338.11591	2.2
401.15997	2.7
432.15836	4.3
444.15585	7.1
447.18030	7.9
459.18616	13.4
474.16687	8.1
477.19247	78.1
478.19556	5.7
489.19229	100.0
490.19534	11.0
507.20233	58.3
508.20538	6.3
519.20203	84.2
520.20197	11.8
537.21570	2.5
669.25745	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	700.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15899	0.7
61.98808	2.6
66.35558	0.7
68.57764	0.7
78.95906	0.8
79.05353	0.8
80.89024	0.6
98.22678	1.5
109.73254	0.6
199.13489	0.8
210.93814	0.7
255.23279	1.7
397.13303	1.5
441.15094	0.6
459.16373	0.9
481.11124	1.4
496.13626	4.7
497.14362	3.1
509.14896	1.2
510.15237	1.1
511.16125	2.8
512.17181	1.2
513.17328	1.1
538.14496	0.9
544.16034	1.3
571.18243	6.0
597.20190	2.4
598.20752	1.6
599.20630	0.8
640.20099	1.4
657.22083	11.1
658.22546	1.1
700.22577	100.0
701.22803	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
55.12059	1.0
56.10274	1.1
59.28217	1.1
61.98820	3.1
66.02738	1.0
94.33044	0.9
107.05030	1.0
107.35330	1.0
130.85924	1.2
149.09355	1.0
149.85944	1.1
200.02997	1.1
203.40961	1.0
349.20007	3.0
496.13992	5.2
511.15878	1.5
512.16504	1.7
544.16089	2.4
551.15973	1.7
570.17523	1.8
571.18451	4.2
597.19763	1.7
598.20856	2.0
625.19745	1.2
657.21948	9.4
700.22614	100.0
701.22882	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	701.2467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98833	0.7
68.95777	0.4
69.63425	1.6
69.63765	0.5
85.53220	0.4
93.99747	0.4
96.96033	0.5
105.94410	0.4
264.54330	0.5
437.12390	0.8
438.13293	4.0
439.13849	0.7
451.14029	0.9
452.14645	2.3
453.15536	0.7
466.12552	0.6
479.13086	0.8
480.14484	0.6
481.15170	32.0
482.15631	7.3
495.16711	12.9
496.17258	3.4
497.18341	5.7
498.18814	0.9
514.14941	2.1
523.16168	0.7
525.14160	0.9
539.15759	1.8
540.16443	13.9
541.16589	2.4
553.17969	0.7
554.18170	3.9
555.18817	46.2
556.19171	7.4
567.18817	1.0
572.15417	9.3
573.15613	2.4
586.16705	3.5
587.17188	0.9
609.19867	1.0
626.21014	0.5
627.20947	0.9
641.22485	20.5
642.22784	5.0
701.24628	54.8
702.24890	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	701.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65451	4.1
59.01381	100.0
60.76210	4.8
61.98819	7.6
70.68874	4.4
72.87903	4.8
78.95473	4.9
95.97809	5.1
96.05642	4.6
110.76635	4.8
138.73988	7.4
170.79056	4.7
172.43663	5.2
176.36691	4.8
213.40891	4.6
315.67752	4.7
481.15094	39.6
482.15482	11.9
495.16962	10.9
497.18246	6.3
540.16553	18.1
554.74530	5.0
555.18829	73.6
556.19281	15.1
572.15533	15.8
641.22498	36.9
642.22693	7.7
686.39685	5.2
701.24457	82.0
702.24988	15.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91175	1.3
59.01379	59.3
61.98822	7.6
69.69042	4.1
71.01385	26.2
72.99290	1.8
83.01382	2.4
83.57859	1.0
84.87601	1.2
85.02943	5.2
87.00861	1.3
87.38634	1.1
89.02447	23.2
95.01393	2.1
98.22547	1.5
101.02431	15.3
106.06602	4.1
112.04056	3.8
113.02448	8.3
116.05080	6.2
119.03502	9.0
122.06104	3.3
123.03268	5.3
124.04061	3.5
132.04543	6.5
134.06122	68.2
135.06456	2.1
138.05611	14.6
146.06044	1.4
147.04475	1.6
150.05670	1.6
152.07173	7.0
158.02448	4.2
160.04037	31.3
161.04587	1.6
164.07115	3.9
172.04013	3.0
176.69421	1.1
184.06024	1.8
190.05104	14.6
192.06656	88.4
193.07014	1.4
204.06546	6.6
212.10745	2.1
218.08124	1.7
241.24109	1.3
255.11331	5.6
266.06979	1.4
267.11386	1.8
281.09369	7.3
293.09329	1.5
299.10474	1.4
307.10886	7.2
311.14038	3.3
314.12503	7.5
335.42874	1.6
335.47195	1.5
337.11819	3.4
339.13504	27.1
340.13882	1.4
386.22241	1.2
487.17206	44.6
488.17633	4.3
517.18097	7.0
519.19830	100.0
520.20227	7.0
582.24426	3.7
608.22253	9.2
626.23608	33.2
627.23022	4.2
640.25458	1.6
652.20721	3.0
670.22589	21.4
684.24249	13.5
696.64899	1.7
702.25140	39.8
703.25311	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.2518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61794	1.4
59.01379	56.4
69.64580	2.0
69.64964	2.5
71.01387	24.6
72.99297	1.4
73.02940	1.5
75.83057	1.5
83.01402	1.4
85.02941	3.1
87.81875	1.3
89.02444	23.3
95.01382	2.9
96.95995	1.4
99.00867	1.6
101.02436	14.2
103.36249	1.3
103.79441	1.2
106.06607	4.2
109.94860	1.2
110.02500	2.1
112.04041	3.6
113.02454	8.7
116.05078	6.7
117.45579	1.4
119.03490	8.5
122.06110	3.8
123.03237	4.7
124.04021	3.7
125.02394	1.3
132.04575	6.3
134.06125	66.7
135.06422	2.4
138.05614	16.5
140.07114	1.4
152.07153	7.2
158.02457	4.1
160.04042	30.8
161.04460	1.8
163.21674	1.3
164.07187	4.8
184.06102	1.5
190.05083	15.4
192.06659	100.0
192.99606	1.5
193.06989	2.4
204.06601	4.4
208.01953	2.3
218.08162	1.4
223.04350	3.2
255.11299	4.6
267.11377	2.4
279.11279	1.6
281.09213	3.3
293.09143	2.8
307.10870	9.3
311.13931	3.5
314.12646	6.5
323.26208	1.4
337.11993	4.1
339.13528	28.2
386.12949	1.3
401.14618	1.3
410.59421	1.5
487.17172	22.8
517.18231	5.0
519.19849	91.9
520.20056	7.9
582.24701	2.9
608.22485	5.0
626.23517	22.3
627.22742	4.5
640.25336	3.0
652.20984	2.4
658.25684	2.2
670.22528	23.8
671.22302	3.0
684.23517	8.8
702.25092	44.0
703.25824	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	703.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46863	19.3
61.98829	32.8
68.19467	17.2
69.38543	100.0
75.55226	18.0
78.95901	38.4
79.95750	60.1
80.96494	22.3
93.27065	20.0
96.96011	76.0
98.22690	23.2
112.81561	19.8
152.99564	25.2
156.51494	18.6
171.10294	31.4
266.84589	20.3
269.95566	22.3
277.21561	22.2
284.20471	21.5
303.19916	20.6
334.65689	20.6
335.21960	25.0
466.09494	22.5
485.20776	22.5
632.88452	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	703.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80515	15.6
57.54600	15.0
66.64463	16.7
69.40545	100.0
76.19256	16.7
97.82007	16.2
108.97798	17.6
129.00732	19.5
152.99605	30.3
200.98018	18.2
331.28696	18.7
335.54739	17.8
655.66504	18.2
713.09167	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3914
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25283	1.5
57.03436	2.9
59.01380	22.7
71.01375	11.1
73.02936	5.9
83.01402	1.9
85.02961	9.5
87.00869	1.6
89.02412	6.1
99.00903	2.5
101.02434	11.9
113.02451	5.9
117.51841	1.1
119.03449	1.3
173.10422	1.3
274.46625	1.3
445.29688	2.7
463.30707	6.7
481.31738	33.1
482.32339	2.3
625.36035	1.6
643.36981	100.0
644.37335	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	703.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	40.8
66.74993	1.1
68.34245	1.2
72.99300	3.8
74.35427	1.4
76.32136	1.1
96.95995	1.5
97.89908	1.1
111.48798	1.4
119.05048	5.6
147.04523	100.0
148.04836	3.2
165.05568	88.7
166.05891	2.4
197.34364	1.4
207.06619	66.3
208.06912	3.3
614.27344	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.3
60.01719	0.4
61.98828	100.0
71.95550	0.1
92.92236	0.1
117.14392	0.1
117.36784	0.1
136.64914	0.1
150.62138	0.1
439.13928	0.1
441.13342	0.1
454.14899	0.1
482.15305	0.3
483.15192	0.6
484.15469	1.2
497.16534	0.2
498.17157	0.4
500.18384	0.2
542.16742	0.2
543.16956	0.5
556.18964	0.2
557.18811	1.0
558.19061	2.1
559.19196	0.1
574.16028	0.2
575.15845	0.4
589.17511	0.2
643.22925	0.2
644.22870	1.5
703.24805	0.3
704.24390	4.7
705.23877	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66258	0.2
59.01381	4.7
59.32542	0.2
69.35878	0.7
71.01386	0.6
72.99306	0.2
73.02933	0.2
79.33792	0.2
79.95737	2.9
85.02939	0.6
89.02446	0.5
96.96011	100.0
98.21835	0.5
101.02428	0.5
121.02983	0.3
133.02942	0.3
140.51202	0.2
147.04530	2.5
148.04857	0.9
165.05559	2.1
166.05960	0.6
207.06631	1.3
208.07004	0.6
253.07231	0.2
280.03836	0.4
284.03363	0.3
297.04007	0.3
298.04904	1.4
299.05530	0.5
307.02646	0.3
308.03256	2.1
309.03958	0.7
311.05627	0.4
312.06497	0.3
323.02133	0.4
323.05640	4.9
324.06079	0.3
341.06680	1.1
353.06622	0.7
371.07642	0.8
396.01575	0.6
397.02539	0.5
439.03290	1.4
441.05234	0.3
443.09747	1.3
585.09369	2.4
607.16644	12.9
608.16681	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38083	0.1
59.01382	0.3
61.98829	100.0
63.08990	0.1
70.27074	0.1
71.01408	0.2
81.11295	0.1
89.02451	0.2
100.65447	0.1
101.02475	0.1
170.25786	0.1
384.90958	0.1
415.14807	0.2
435.19962	0.1
482.28076	0.2
483.28964	0.3
484.29294	0.2
507.86136	0.1
557.27356	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77553	0.3
59.01372	3.9
66.02491	0.3
71.01007	0.5
71.01376	4.6
72.99302	0.4
73.02933	0.4
82.95397	1.3
83.01382	0.4
85.02924	0.4
87.00878	1.0
89.02437	5.2
93.03451	7.6
96.96036	0.5
97.02956	0.6
101.02445	1.4
112.98802	0.9
113.02443	0.7
117.03462	3.3
119.05025	4.7
123.04533	1.6
125.02435	2.6
131.03560	1.6
131.05013	2.0
132.02164	0.8
132.05815	0.4
133.02989	2.0
135.04523	2.6
136.04836	0.4
140.58623	0.4
143.03482	0.4
145.02943	0.6
147.04510	0.9
149.00891	0.8
149.04556	3.2
159.04459	1.2
161.02481	0.7
163.04012	2.0
164.04379	0.6
176.29332	0.3
179.03493	1.6
191.05586	0.9
203.03442	0.4
209.06084	1.5
210.06923	1.0
211.07625	2.6
219.02975	1.0
223.07593	3.2
224.08415	5.4
225.09200	38.3
226.09558	2.3
233.06671	0.8
251.06995	1.8
252.07895	2.0
253.08685	100.0
254.08990	4.4
258.26526	0.4
277.03510	0.8
278.03745	0.5
293.03253	0.8
293.08786	11.0
294.03482	0.4
295.04541	1.0
296.04959	0.8
415.13962	17.7
416.14313	0.7
535.58087	0.4
547.18195	15.9
548.18744	0.9
631.81866	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.4123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
68.20182	1.2
69.36623	6.4
71.01377	1.8
78.91795	1.2
89.02457	1.8
128.44617	1.3
161.04529	1.3
171.10271	100.0
172.10675	2.9
181.33875	1.2
210.28653	1.2
224.94006	1.4
228.85924	1.1
229.25291	1.2
235.08217	2.7
235.19255	1.3
253.09137	6.1
277.21738	64.1
278.22018	3.3
407.19049	3.9
500.42514	1.2
564.34747	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.1415
Annotation	Quercetin 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
59.01376	2.6
63.02408	1.1
65.00315	3.2
69.34326	2.9
83.01389	1.7
88.75459	0.5
93.03429	1.1
96.25102	0.6
101.02439	0.5
107.01385	6.0
108.02161	0.7
109.02950	1.1
116.92871	0.6
121.02933	5.4
125.02365	1.1
132.35011	0.5
133.02946	0.7
135.04504	1.2
144.36983	0.5
148.01685	0.6
149.00928	0.6
149.02472	1.0
151.00365	27.8
152.00641	0.6
154.73181	0.6
159.04605	0.6
161.02356	0.6
163.00337	1.8
169.01453	0.8
175.04071	0.7
178.98381	1.1
178.99857	14.4
183.04602	0.6
211.04071	0.8
227.03503	1.9
229.05023	1.2
243.02971	5.0
245.04538	1.5
247.53687	0.5
254.02234	1.6
255.02962	16.5
256.03409	0.8
257.04538	0.7
271.02463	32.3
272.02921	2.5
273.04028	1.6
283.02274	0.8
299.01968	4.2
300.02734	71.5
301.03503	100.0
302.03891	4.5
463.08813	72.8
464.09244	5.1
505.09885	25.1
506.10291	2.3
667.15002	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	711.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20995	0.7
53.30321	0.7
54.71478	0.7
56.86075	0.6
59.01368	2.6
63.02399	1.2
65.00319	3.6
74.66158	0.6
83.01373	2.1
83.60477	0.8
93.03447	1.7
107.01401	7.1
108.02165	1.3
109.02945	1.1
115.21311	0.7
121.02938	6.2
123.86562	0.6
125.02399	0.9
133.02885	0.8
135.04529	0.9
148.01671	1.5
149.02390	0.8
150.99147	1.5
151.00374	31.8
163.00360	1.7
169.01433	0.8
178.99866	15.3
193.01506	0.8
199.03920	1.1
211.03954	1.2
226.02652	1.1
227.03551	1.5
229.05161	1.6
237.32086	0.8
241.03217	0.7
243.03003	7.2
245.04422	1.2
254.02246	2.0
255.02979	18.0
256.03360	1.1
271.02466	36.0
272.03067	2.5
273.04047	2.2
283.02591	1.0
299.01956	4.1
300.02744	75.2
301.03510	100.0
302.03864	5.3
463.08804	79.8
464.09259	4.9
505.09909	34.3
506.10303	3.5
524.12781	0.8
667.15271	6.2
668.15466	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3469
Annotation	Tunicyclin C
Peak:m/z	Relative Intensity
56.03471	0.4
61.98824	0.6
64.06168	0.4
69.26070	1.1
69.26478	1.7
70.02961	0.6
73.04067	5.7
83.02512	1.7
84.00913	2.0
84.04541	0.6
85.04086	0.8
87.05627	3.4
95.02510	3.8
97.04079	1.7
98.02491	1.1
99.02014	5.7
99.05636	0.5
102.47184	0.4
109.04076	8.5
110.02488	0.9
111.02000	0.7
111.05574	0.6
112.04092	0.5
112.05170	3.0
113.03573	6.9
113.06483	0.8
113.07220	10.5
116.05074	1.9
123.05647	1.5
125.03580	1.9
125.07197	1.5
126.06720	5.2
127.05142	8.3
129.10349	0.5
130.06229	3.3
131.63168	0.4
135.04451	0.6
138.06769	0.6
139.08734	1.2
140.07213	0.7
140.08292	1.5
141.06674	0.6
141.10423	0.5
142.06621	1.9
144.07799	12.7
146.15065	0.6
146.63098	0.5
149.00906	0.9
151.08743	2.3
152.08342	0.7
153.06709	7.8
155.08270	1.2
156.04178	1.6
158.09344	0.5
166.09839	1.3
167.08369	0.8
168.11409	1.4
169.09816	2.9
170.05704	2.9
170.09348	13.2
181.09856	1.4
182.09247	0.6
182.12973	0.9
183.07397	0.8
183.08882	10.4
183.11351	0.6
184.07268	1.7
184.10938	0.9
186.12450	1.6
187.08324	1.3
201.09926	11.9
202.09836	1.8
209.10434	14.0
209.12598	1.0
210.08865	1.7
212.10362	0.6
223.08202	0.8
223.12006	2.1
224.10402	0.8
225.06758	0.6
225.13550	1.0
226.12044	0.7
227.07935	1.1
227.11487	21.7
237.13533	0.8
238.11923	0.5
241.09483	0.7
241.13068	3.2
243.14621	2.3
255.14594	1.3
258.11987	0.7
265.16782	0.8
266.14935	0.9
273.13599	1.4
281.12808	0.6
283.14581	0.5
283.17746	2.0
293.03018	0.7
298.11548	2.4
298.14832	0.9
310.15137	0.7
314.40250	0.6
323.17355	0.9
325.53488	0.5
330.15628	1.5
337.16174	2.0
340.16061	1.3
354.17725	3.7
355.17334	14.0
356.17758	1.0
380.19333	1.3
397.22089	2.3
409.21884	0.7
411.23862	0.8
483.23679	1.0
484.23080	10.7
485.23257	0.7
508.24933	4.7
509.25565	0.6
637.31006	100.0
638.31171	6.3
649.31207	3.8
667.32172	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	713.2827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.5
61.98845	8.6
63.95814	2.3
69.91492	3.9
69.91793	3.5
73.02956	4.0
92.05078	3.4
98.21995	3.4
104.05053	5.9
120.04546	9.4
147.03348	4.0
148.04056	60.7
150.05589	10.8
160.04086	4.3
162.05524	3.4
166.31078	2.5
167.52725	2.3
174.01927	4.1
225.06694	3.3
241.09833	3.6
265.09866	2.9
274.42081	3.0
277.21750	3.2
279.07727	3.2
293.05499	5.6
295.42627	3.0
297.12494	3.7
299.13937	6.2
307.07281	4.7
309.08914	16.0
323.10556	6.6
349.08502	3.7
397.13519	7.4
416.12253	4.6
446.17178	4.5
573.21613	5.2
590.21692	5.6
605.23584	15.2
607.22345	13.3
608.22705	11.2
639.24573	3.3
649.22955	100.0
650.23297	8.5
681.25348	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44715	7.0
59.01376	19.8
61.98824	30.4
67.19196	7.8
68.56467	7.8
95.10567	7.5
98.21896	22.5
116.97255	74.7
127.07307	6.8
137.21634	7.8
146.84868	7.6
192.37900	8.5
198.97635	9.3
199.52121	7.7
235.08197	11.8
275.20084	10.0
279.23294	26.7
397.13342	56.6
415.14822	21.2
489.16504	12.5
503.17035	19.1
591.22528	25.0
610.47772	8.5
649.22998	66.5
650.23840	27.2
651.24451	16.1
681.25702	100.0
713.26691	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	48.5
59.04329	16.2
61.98830	100.0
93.81448	17.0
142.60771	15.9
200.18588	17.3
275.35635	16.9
277.03998	18.4
279.23282	40.4
342.47656	17.2
397.13358	67.1
415.14496	20.3
544.83545	20.5
713.35944	38.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	8.5
59.01365	18.0
59.99252	5.7
61.98802	12.0
71.01369	23.1
72.25916	6.0
89.02441	10.0
101.02415	8.9
108.71289	6.2
109.00681	5.5
113.02443	9.6
116.97249	14.3
125.02437	6.7
235.08060	8.6
253.49077	7.5
279.23380	49.2
340.99600	8.0
367.99423	6.9
397.13425	100.0
415.14551	36.3
445.34460	7.9
677.37286	11.0
713.35034	70.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31843	1.2
59.01379	36.5
60.17088	1.3
61.98828	3.8
66.23119	1.0
69.03422	1.6
69.37389	5.1
71.01381	22.2
73.02948	3.8
83.01385	2.0
85.02945	5.3
87.00875	4.5
88.55669	1.1
89.02442	22.5
95.01344	1.6
95.31561	1.3
97.02959	4.1
99.00842	1.6
101.02437	18.5
113.02425	8.2
119.03488	7.5
125.02454	7.6
131.03534	1.5
133.05054	1.3
137.40912	1.2
143.03525	3.2
161.04536	4.1
179.05591	4.4
182.96967	1.1
183.38602	1.2
193.67216	1.2
204.00021	1.1
213.06425	1.1
235.08195	9.3
255.23277	66.4
256.23700	2.5
287.07684	4.1
305.08759	4.9
323.09985	1.8
331.67023	1.3
379.11893	1.2
397.13470	100.0
398.13864	3.3
415.14545	31.1
415.20108	1.7
653.37604	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	713.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	42.5
61.98839	6.8
69.03455	1.4
71.01016	1.8
71.01383	23.5
71.42205	1.8
73.02946	5.5
78.95898	2.7
81.03470	1.4
83.01405	2.1
85.02954	6.0
87.00890	3.8
89.02442	25.1
95.01392	1.8
96.96005	4.0
97.02956	5.0
98.28304	1.6
101.02440	16.8
104.48190	1.3
109.89265	1.5
113.02460	11.0
116.97231	1.5
119.03487	6.6
119.82083	1.5
125.02469	10.2
143.03488	2.4
161.04520	4.2
179.05615	3.6
192.95920	1.9
194.95508	1.7
221.06790	1.7
235.08244	11.9
255.23289	71.1
287.07645	2.5
305.08688	5.5
305.30814	1.4
335.03455	1.5
371.52011	1.5
397.13507	100.0
397.43936	1.4
398.13675	4.9
415.14606	25.2
622.11530	1.6
653.37500	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96061	0.1
60.83003	0.1
61.98800	0.3
70.74677	0.1
82.79294	0.1
83.05012	0.4
103.12218	0.1
133.58783	0.1
164.63087	0.1
217.85861	0.2
225.16090	0.3
451.32626	0.3
501.76315	0.2
677.49738	2.3
678.50641	0.3
713.47363	100.0
714.47668	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	714.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43336	4.8
61.98820	20.4
66.59043	5.0
96.96040	7.1
110.08635	5.0
128.20720	6.0
136.09552	5.5
136.47585	5.6
157.49776	5.3
213.84134	5.1
329.29669	6.6
370.34171	5.4
416.40195	5.6
416.65408	6.7
507.22174	5.7
563.44745	5.6
584.57007	5.0
636.69080	5.5
671.23907	7.7
714.24286	100.0
715.24640	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	714.242
Annotation	Unknow
Peak:m/z	Relative Intensity
60.29031	0.9
61.98826	3.1
111.82759	0.9
116.41720	1.0
147.10408	0.9
149.94444	0.9
286.50854	0.9
325.39120	1.1
539.15631	4.0
553.17285	3.9
585.19818	3.1
641.30481	1.1
671.23462	8.0
714.24158	100.0
715.24548	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	715.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.1
61.72324	1.3
61.98792	1.2
67.42847	1.0
69.58617	3.0
71.01379	2.4
89.02439	1.7
92.84930	1.1
93.03466	3.8
96.00884	1.2
108.02150	1.4
119.03521	1.2
121.02950	6.1
122.03748	14.4
123.04465	1.5
133.02907	1.1
135.04500	1.7
136.01671	14.0
137.02386	1.5
139.47426	1.0
141.17165	1.0
149.02437	14.1
150.03226	95.9
151.04027	17.8
164.04796	2.9
165.05565	100.0
166.05977	2.1
175.04007	2.5
179.05655	1.4
180.04333	5.1
189.05521	1.6
190.06390	3.2
195.06621	88.9
196.06966	1.7
209.95424	1.1
213.59276	1.1
287.50946	1.1
299.09213	2.4
327.12430	3.9
339.12506	1.8
342.11615	1.2
357.13480	22.7
475.17612	1.7
505.18686	19.0
553.20813	33.1
554.21136	2.9
645.29877	1.2
728.50226	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	6.4
61.98829	4.5
69.13747	6.0
69.14146	3.4
71.01381	3.9
74.68666	1.9
89.02453	3.0
101.02467	2.3
113.02438	2.0
121.02951	14.0
122.03702	12.0
132.96671	1.9
133.02966	3.4
135.04512	8.9
136.01639	18.2
137.02414	4.3
145.72391	2.2
147.04587	2.1
149.02434	30.4
150.03229	57.8
150.34438	1.9
151.04019	30.7
160.05289	2.8
161.06122	1.9
162.03200	2.1
163.04013	4.3
164.04758	7.1
165.05562	56.6
175.04005	7.4
189.05537	5.1
190.06348	9.3
195.06607	25.2
212.84633	1.9
296.06686	1.9
299.09268	5.1
322.01593	2.1
327.12152	3.3
339.12473	2.3
343.11728	2.4
357.13364	23.2
460.15329	2.3
475.17636	4.3
490.16385	3.4
505.18655	100.0
506.18900	7.0
535.20007	2.7
553.20697	46.5
667.24072	4.4
715.26233	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	715.3544
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98831	3.6
69.32613	9.0
69.33025	4.3
71.01379	33.7
73.02943	10.1
85.02959	11.9
89.02448	30.6
90.58776	2.6
92.40026	2.3
95.01396	3.4
96.50863	2.2
101.02451	21.3
110.53177	2.4
113.02446	20.0
119.02760	2.4
119.03474	12.9
143.03468	2.7
161.04544	5.4
179.05603	7.9
374.01605	2.5
474.43314	3.1
506.21393	2.6
611.34369	48.1
612.34357	6.3
629.35358	35.6
630.35754	4.7
671.36505	18.3
672.36963	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	715.368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.7
61.98829	22.6
63.16376	3.6
69.60199	3.6
70.50994	3.2
71.01381	12.6
73.02918	3.7
78.95924	6.3
89.02454	12.1
94.49206	3.4
96.96015	8.0
97.75027	4.3
101.02452	8.4
109.14075	3.4
113.02454	4.9
125.02438	8.0
281.24905	48.5
378.20151	3.7
397.13522	100.0
415.14621	30.4
679.38354	19.6
715.36700	87.2
716.36780	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	715.3676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	14.3
61.08323	1.8
61.98830	100.0
63.77167	1.9
71.01385	8.3
73.74062	2.0
77.85540	2.2
78.95902	2.4
80.54324	1.9
85.02935	2.9
89.02441	8.9
91.46092	1.8
101.02438	6.6
101.78758	2.0
102.89964	2.1
109.78256	1.9
110.33981	1.8
113.02426	5.0
119.03512	2.1
125.02505	3.1
211.61041	2.5
235.08214	2.8
239.29446	2.3
255.23195	2.3
256.23700	3.1
281.24905	20.6
287.07733	2.4
397.13516	49.7
398.13855	5.3
399.14041	3.6
415.14670	14.6
521.09442	2.4
679.38831	6.8
715.36615	27.9
716.36829	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	716.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.9
69.30380	0.6
91.13978	0.7
110.80091	0.6
120.01254	100.0
120.10796	0.8
130.92395	0.8
148.84654	0.7
160.84245	0.8
359.98660	0.8
489.19461	0.8
715.47089	4.8
716.47693	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	716.2676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98347	1.4
59.01380	61.0
61.98820	2.3
71.01384	28.6
71.44729	1.7
73.02966	1.8
83.01385	2.4
85.02942	7.5
89.02450	30.7
94.40474	1.5
95.01389	1.6
96.36855	1.6
99.92594	2.6
100.92616	1.3
101.02438	21.5
101.93792	1.5
103.19223	1.6
106.00459	1.5
106.06615	6.2
113.02474	11.3
116.92861	26.7
117.92895	9.8
119.03508	11.8
122.03770	1.6
122.06126	5.4
123.93249	1.4
132.04562	1.7
134.03802	1.5
134.06126	45.1
144.60211	1.4
147.04521	1.7
149.02441	1.8
150.03270	2.4
152.07179	10.5
158.02484	1.8
165.05556	2.3
179.45915	1.4
184.93376	1.7
190.05148	8.8
192.06625	3.1
209.10916	1.7
210.07901	1.5
212.12270	1.5
213.10349	3.4
222.07866	1.8
225.06682	3.2
225.10344	2.1
234.52333	1.4
237.10289	14.1
238.08890	2.0
239.08273	2.4
248.06287	1.6
249.06512	1.4
251.04449	1.8
251.08263	4.7
252.05385	1.7
253.09859	8.4
254.10542	1.3
263.08176	3.8
265.06204	8.1
265.09851	3.8
266.06964	16.9
267.07379	1.7
277.06290	1.4
278.06891	7.3
279.07584	1.7
280.08606	3.2
281.09314	86.3
282.09546	8.4
293.09308	47.0
294.09756	5.7
307.10855	2.1
313.11963	13.3
314.12360	6.5
325.11832	2.7
329.14163	1.7
337.11868	1.6
339.13458	1.6
400.16766	3.1
428.16046	5.1
477.19379	2.1
519.19836	2.0
529.40326	1.7
564.23572	2.8
573.65375	1.7
580.23114	2.3
597.02692	1.9
607.66608	1.7
608.22504	81.0
609.22534	8.7
640.25018	28.9
641.24908	2.6
652.21655	15.7
653.21948	2.4
684.24091	100.0
685.24487	16.8
716.26752	49.2
717.27020	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	716.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24887	0.1
55.38353	0.1
59.01378	0.3
61.98829	100.0
62.82104	0.1
70.99011	0.2
71.01395	0.2
89.02407	0.1
101.02464	0.2
118.75431	0.1
140.78203	0.1
153.90753	0.1
177.41965	0.1
250.31393	0.1
255.23308	0.2
256.23557	0.1
296.43820	0.1
397.13828	0.2
399.14227	0.4
400.14227	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	717.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36623	0.8
69.77349	0.8
71.41521	1.0
83.30553	0.8
100.04861	1.0
119.39865	0.9
120.99655	100.0
216.64722	0.9
716.47791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04924	0.4
50.26225	0.5
51.17618	0.5
59.01380	1.3
69.11083	1.4
69.11488	1.9
85.31224	0.5
89.02447	0.9
90.98595	100.0
91.98953	0.7
96.95986	0.7
98.21853	1.1
104.02069	0.5
105.29659	0.5
109.51927	0.5
111.00874	1.3
113.41434	0.5
119.01368	0.6
120.01282	0.6
120.16267	0.6
121.02984	0.6
125.18221	0.5
147.00880	5.1
149.02448	1.3
151.02271	0.8
162.03236	9.8
165.30466	0.5
166.02690	1.0
167.01643	1.3
177.01949	5.4
177.05568	12.9
178.01062	0.5
179.01706	2.0
179.03291	0.6
180.99695	0.9
181.05042	1.5
192.04289	5.1
193.03252	0.6
195.01192	9.5
196.01947	2.8
207.01224	4.5
207.06650	3.5
210.03558	13.8
211.04340	5.7
222.03558	3.6
225.05908	36.4
226.06253	1.1
237.05927	4.9
238.01266	0.6
239.03806	1.0
255.07066	0.8
269.04883	1.0
289.21713	3.0
299.05838	2.0
315.19730	0.9
333.20709	3.1
417.15527	0.7
495.25879	4.0
548.37170	0.6
742.17230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98824	8.2
63.86761	2.2
69.08877	14.2
161.04562	2.6
174.99165	2.5
202.98698	3.8
290.02228	2.5
414.56317	2.8
481.11475	3.4
496.14066	14.1
497.14548	3.8
498.86694	2.4
510.15396	6.5
511.15991	8.5
512.16699	5.5
513.18182	3.9
539.19806	6.5
544.15021	3.1
567.18774	7.2
571.18341	3.4
599.21454	31.0
657.21967	15.8
717.24097	75.0
718.24005	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	717.2417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95902	1.0
55.67459	1.1
59.01379	100.0
61.98829	60.3
72.94620	1.0
98.22681	2.1
98.31865	1.1
100.35165	1.1
114.22843	1.0
129.30257	1.0
134.47826	1.0
215.20056	1.1
453.11829	3.0
457.18954	1.8
459.16678	2.8
481.11188	4.2
493.15320	1.5
495.16391	1.5
496.13892	14.6
497.14590	8.8
498.15289	2.8
510.15433	3.9
511.15884	8.6
512.17004	4.9
513.17957	6.3
539.19061	5.6
544.16370	5.5
551.15601	1.9
567.18970	10.7
570.17645	2.6
571.18341	8.5
597.19867	3.2
598.20667	5.1
599.21509	42.4
600.21637	3.7
657.21967	15.1
658.22144	2.5
717.24115	87.9
718.24506	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	717.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21928	2.5
56.46320	2.3
58.35422	2.4
59.01379	27.0
61.98836	4.9
70.88490	2.5
71.82689	2.6
98.22594	3.1
106.73548	2.8
137.41548	3.2
207.02263	2.5
481.11884	5.1
496.13910	12.4
497.14859	9.3
511.16245	100.0
512.16345	16.7
555.15240	5.8
556.16241	6.0
570.17596	66.8
571.18256	33.2
625.19379	10.1
657.22296	25.3
658.22473	6.1
717.24182	91.3
718.24347	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	717.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	17.4
59.12258	9.2
61.37766	10.4
61.98825	100.0
62.66425	9.7
81.99030	11.6
98.24618	10.7
105.07092	10.7
269.09161	11.8
274.20938	11.5
283.26163	13.5
397.13593	25.3
451.89478	11.9
655.14197	12.0
717.38092	23.5
749.78503	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	718.3656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
57.03452	1.4
58.00593	0.5
59.01381	45.2
60.01725	0.3
61.98832	2.0
68.99824	0.6
69.03468	1.6
71.01383	28.4
72.99316	0.9
73.02946	4.8
75.00882	0.6
81.03481	1.3
81.26302	0.4
83.01379	3.0
85.02954	5.0
87.00879	6.4
87.01382	0.6
89.02448	29.1
90.02816	0.4
91.04021	0.8
93.03465	0.4
95.01373	2.1
97.02946	4.9
99.00900	1.4
99.04529	0.7
101.02443	24.3
109.02960	0.5
111.00880	0.4
111.04543	0.7
113.02452	12.6
119.03513	8.0
119.04327	0.6
120.96931	0.3
121.02971	0.5
125.02454	10.2
127.04067	0.4
131.03522	1.2
133.05078	1.0
139.04056	1.0
141.02022	0.5
143.03513	4.3
149.04524	0.7
161.04567	5.1
161.41360	0.4
167.03506	0.9
173.47932	0.3
179.03979	0.5
179.05620	5.8
185.04694	0.6
199.06203	0.6
217.07068	0.8
221.06677	1.7
235.08228	12.3
245.06656	0.6
253.09286	2.7
253.52646	0.3
263.07651	1.4
275.20059	0.5
277.21722	78.6
278.22061	4.6
287.07831	3.1
305.08817	3.7
323.09799	1.6
370.35248	0.4
379.12457	0.7
397.13492	100.0
398.13828	4.7
415.14572	33.5
416.14886	1.5
422.35501	0.4
493.61829	0.4
571.67487	0.4
675.24487	0.4
675.35651	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	718.3657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51015	0.5
52.90464	0.4
55.01875	1.2
57.03435	0.7
58.00589	1.0
59.01379	41.5
59.24401	0.4
61.98832	4.6
64.05003	0.4
67.01881	0.4
68.99827	0.5
69.03443	1.7
71.01380	27.3
72.99312	0.6
73.02947	4.5
75.00853	0.6
81.03444	1.1
83.01382	3.3
85.02955	6.1
87.00880	6.5
87.04532	0.4
89.02444	24.5
91.03974	0.8
93.03436	0.4
95.01386	1.7
97.02940	4.3
99.00877	1.8
101.02444	23.1
103.00379	0.5
103.04005	0.6
109.02917	0.7
111.00940	0.6
111.04527	0.5
113.01708	0.6
113.02459	10.1
115.04012	1.0
119.03500	7.0
121.02991	0.6
123.04539	0.5
125.02455	10.1
127.04050	0.5
131.03499	1.3
133.05052	0.6
139.04045	1.2
141.01944	0.5
143.03528	3.1
149.04581	0.8
161.04572	5.6
167.03516	0.4
169.05096	0.6
174.47682	0.4
179.05640	4.8
185.04526	0.7
201.51776	0.5
217.07092	0.5
219.05048	0.4
221.06535	2.1
228.78735	0.4
235.05945	0.7
235.08220	11.1
245.06754	0.7
253.09337	2.1
263.07678	1.3
265.84561	0.5
277.21719	70.0
278.22089	3.4
287.07761	3.7
305.08725	4.2
323.09802	1.4
379.12585	0.6
397.13489	100.0
398.13800	2.9
415.14566	32.4
416.14883	1.3
508.33749	0.5
675.35522	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	719.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91251	0.7
59.01366	4.8
61.98818	1.2
63.67218	0.8
64.47537	0.8
70.28415	0.8
71.01390	3.3
85.02963	1.6
89.02453	1.4
101.02456	3.5
102.50224	0.7
104.00740	0.7
113.02421	1.3
125.06773	0.8
134.42665	0.8
163.29112	0.8
275.20178	3.1
275.80444	0.7
317.21240	3.2
335.22220	6.1
483.44635	0.8
497.27594	100.0
498.27759	8.0
638.07074	0.8
652.54938	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25806	0.9
61.32013	0.9
61.98830	100.0
63.74372	0.9
71.45459	0.8
73.37364	0.9
82.23405	1.0
100.62566	1.2
105.64632	1.0
110.34531	1.0
144.48273	1.0
196.27425	1.0
335.92145	1.2
394.79669	1.1
408.21109	1.1
555.67957	1.1
646.39697	1.1
656.35913	1.2
672.58600	1.1
677.21082	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
70.84655	0.8
80.48689	0.7
110.89665	0.8
132.00829	0.7
203.32506	0.7
209.11823	0.8
277.24249	0.6
359.29352	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.6
61.98817	2.7
68.14201	1.8
69.60883	2.5
69.61223	5.5
71.01384	26.8
72.99306	2.2
73.02938	5.0
74.08796	1.5
75.72764	1.7
83.01368	2.1
85.02954	6.0
87.00875	7.7
89.02441	22.7
97.02936	4.1
98.21845	3.4
101.02438	19.0
102.21503	1.9
112.31369	1.5
113.02455	9.4
119.03520	6.3
120.02241	1.6
121.39424	1.8
125.02425	7.9
143.03508	5.0
161.04538	4.3
179.05595	5.2
192.03699	1.7
194.43352	1.6
201.90326	1.7
213.62172	1.6
230.56416	1.7
235.08197	10.7
237.49728	1.8
253.09496	2.1
262.78418	1.6
274.79019	2.0
279.23297	77.6
280.23593	7.2
287.07785	3.9
305.08762	6.9
397.13504	100.0
398.13931	4.4
415.14551	32.1
481.99426	2.1
484.27530	1.8
677.37762	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	720.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06092	1.9
59.01384	41.2
61.98827	4.5
69.03467	2.6
70.45052	2.7
70.45378	1.7
71.01383	23.2
73.02955	2.4
83.01357	1.8
85.02953	6.1
87.00892	3.9
89.02438	22.1
95.01403	2.8
97.02947	4.0
98.21964	2.1
99.00872	2.4
101.02446	22.1
113.02427	9.5
116.92915	2.0
119.03507	5.8
122.75561	1.7
125.02449	7.6
131.81534	1.8
143.03513	4.1
161.04536	4.2
179.05585	4.1
235.08174	11.6
253.09201	2.0
279.23303	84.0
280.23654	6.5
287.07687	3.6
305.08740	4.5
379.12015	2.2
397.13489	100.0
398.13708	4.9
415.14532	35.7
433.60544	1.7
677.37927	2.8
678.43756	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.5029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02292	0.2
64.91853	0.2
66.19613	0.2
66.24863	0.3
81.03455	3.3
82.06583	0.3
83.05028	9.9
87.90740	0.2
100.56155	0.2
107.06168	0.3
108.04593	0.2
125.07195	0.6
138.92429	0.2
143.08197	0.3
150.58583	0.2
207.15025	0.8
224.17671	1.7
225.16084	10.4
226.16393	0.4
242.18697	0.4
290.22488	0.2
309.21701	0.6
318.97659	0.3
324.26501	0.5
333.23050	0.7
341.29123	0.7
342.03482	0.3
367.27121	1.0
433.31827	0.7
450.34509	1.1
451.32880	7.2
452.33264	0.7
527.99939	0.3
550.43420	0.7
559.39740	0.3
593.44263	0.3
659.48596	1.7
660.47968	0.3
677.49677	100.0
678.49994	16.3
678.67383	0.4
720.50323	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	100.0
64.23967	0.4
69.23317	2.6
92.85534	0.4
98.21832	0.7
120.25951	0.4
181.23415	0.4
248.64920	0.4
326.81265	0.5
463.97696	0.4
497.28464	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.1
59.01379	36.9
61.98822	3.0
65.93440	1.7
69.74263	1.2
70.99293	1.1
71.01377	23.3
73.02936	4.4
83.01384	3.2
84.85281	1.3
85.02946	4.4
87.00870	5.4
89.02438	23.9
91.83507	1.2
97.02941	2.9
99.00919	1.4
101.02438	17.8
111.04581	1.3
113.02464	8.7
119.03487	6.8
125.02444	8.6
136.24358	1.4
143.03510	2.1
161.04526	4.4
179.05589	4.0
191.53825	1.3
198.97366	1.3
221.06657	2.1
235.08238	9.5
281.24857	79.6
282.25238	3.6
287.07715	3.3
288.92075	1.4
305.08743	3.9
324.99982	1.5
397.13477	100.0
398.14053	3.0
415.14545	30.9
416.14758	2.0
501.43430	1.4
567.91736	1.5
577.65149	1.6
679.38654	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	722.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43381	0.6
57.50301	0.6
58.00605	0.8
59.01383	32.5
61.98824	2.9
69.03464	1.1
69.65129	2.1
69.65511	1.1
71.01385	22.0
71.82513	0.6
72.99284	0.8
73.02947	4.2
73.91525	0.7
75.00891	1.3
81.03480	0.8
83.01389	2.8
85.02957	4.3
85.67738	0.6
87.00879	4.2
89.02449	20.0
89.03004	1.0
95.01402	1.0
96.05635	0.6
97.02946	4.3
99.00883	1.1
99.04505	0.7
101.02444	17.1
111.04531	0.9
112.17809	0.8
113.02447	8.0
115.96960	0.8
116.92860	0.9
118.96976	0.7
119.03498	6.5
125.02448	7.8
131.03510	1.6
143.03494	4.0
161.04568	4.3
179.05592	5.1
210.33333	0.7
221.06702	1.2
235.08223	11.0
253.09244	2.0
263.07553	0.9
281.24863	69.9
282.25189	3.6
287.07697	2.9
305.08734	4.2
323.09827	1.0
329.95789	0.7
397.13501	100.0
398.13788	4.2
415.14554	32.3
416.14828	1.3
679.39001	4.1
682.58185	0.8
730.99738	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.4
69.57727	15.8
74.02488	16.6
82.03000	6.7
82.46004	3.6
87.05643	4.6
89.25146	3.8
96.04572	11.4
96.95999	5.6
97.04037	7.9
98.02498	6.3
98.22626	3.8
99.05664	6.7
105.75514	3.5
108.04523	9.1
112.04028	6.9
112.07638	5.6
116.01776	5.2
122.06068	3.6
124.04033	7.9
125.03569	12.0
137.07213	10.8
139.05106	8.4
152.03529	5.9
160.00789	21.0
165.06723	21.2
178.01445	5.7
181.06178	8.0
209.05768	7.9
225.05125	34.2
249.24965	3.8
253.04652	100.0
259.04016	11.5
271.05728	26.8
287.03473	14.9
292.78732	3.7
305.04440	59.3
309.16742	3.7
371.78299	4.3
527.79242	5.1
723.21136	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	723.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	2.7
58.34146	1.5
59.01379	36.6
61.98822	6.2
71.01380	21.8
73.02960	4.8
83.01390	1.7
83.05025	3.2
85.02959	4.7
87.00862	3.5
89.02448	20.7
95.04976	1.8
96.95998	1.7
97.02943	3.6
97.06580	2.1
99.04530	1.8
101.02432	18.4
112.74060	2.1
113.02450	7.1
115.07629	1.8
119.03501	4.4
125.02449	5.3
125.09727	4.8
127.07655	5.7
135.08154	3.3
139.07686	1.6
143.03493	2.5
153.09230	18.5
155.10844	1.6
161.04533	3.6
163.11391	3.3
165.12856	1.8
171.10262	27.2
178.10057	4.4
179.05608	4.9
185.11847	6.5
197.11839	6.3
199.13499	1.8
209.11829	68.3
210.12219	1.8
221.06456	3.3
235.08272	5.3
238.12079	1.8
245.19096	4.2
265.63571	1.6
275.21924	1.6
289.18057	12.6
297.20679	3.1
305.09058	1.5
307.19125	100.0
308.19363	6.9
312.46146	1.8
325.20181	63.7
326.20230	2.4
327.21835	1.6
397.08664	2.8
397.13522	35.4
415.14514	32.5
416.14972	2.1
432.21152	1.8
569.24646	2.8
636.26312	5.0
705.33374	34.0
710.44189	1.8
723.34503	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	724.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	3.3
62.90085	0.6
66.91279	0.6
69.72070	0.8
70.75028	0.5
72.99295	2.6
87.00874	12.5
88.04059	1.6
98.22005	0.7
101.33221	0.5
102.08295	0.5
103.00372	2.0
107.04954	0.8
109.02960	2.0
112.98799	7.2
130.99864	1.8
132.03033	2.3
133.02940	0.9
134.03754	2.6
135.04524	56.9
136.04832	1.7
137.02451	0.7
139.00385	1.8
144.70261	0.6
149.00912	100.0
150.01254	1.3
156.92873	0.6
159.04636	0.5
161.02472	4.2
163.03970	1.7
163.78564	0.6
177.05545	0.6
179.03494	79.2
180.03796	2.1
191.03506	3.0
219.02972	8.0
228.02171	0.6
230.99278	0.7
231.03183	0.9
240.95996	0.6
250.07057	0.8
293.03052	19.5
294.03165	0.9
305.84421	0.6
311.04059	64.0
312.04501	3.3
473.07083	2.8
663.03406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52858	0.9
59.01379	26.4
61.98808	3.7
64.88257	0.8
67.66640	0.9
69.03427	1.1
70.56089	0.8
70.96316	1.1
71.01380	17.6
72.99310	1.0
73.02950	2.1
75.00858	1.1
81.03461	1.1
83.01398	2.7
85.02927	4.0
85.47537	0.8
87.00871	4.0
89.02441	17.6
95.01345	1.0
97.02946	3.0
101.02435	15.4
113.02446	8.5
119.03466	4.9
121.89684	1.0
125.02457	7.7
143.03488	3.5
161.04610	4.5
161.79362	1.0
179.05609	5.1
180.16615	1.1
201.13710	1.2
235.08218	10.3
253.09340	1.0
283.26410	53.4
284.26849	5.0
287.07648	3.0
305.08850	2.9
397.13489	100.0
398.13776	6.9
415.09338	2.0
415.14578	29.1
416.14752	1.3
681.40759	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67389	0.7
58.13677	0.7
63.32694	0.7
66.01164	0.8
71.03422	0.8
76.58691	0.8
81.76945	0.6
87.00837	0.7
95.63018	0.7
102.97830	0.8
107.01384	1.3
125.02451	1.2
128.40083	0.7
135.04495	2.1
148.01784	0.8
149.00911	2.9
151.00383	4.7
157.73279	0.6
163.03949	0.8
179.03493	2.2
185.95921	0.7
214.02737	1.4
215.03569	1.2
219.02998	1.2
226.02600	0.7
227.03557	2.2
241.01305	1.0
242.02219	13.8
243.02945	16.9
244.03580	1.4
245.00739	1.4
247.80257	0.7
254.02141	0.8
255.03069	1.6
257.04565	6.2
270.01691	20.3
271.02460	20.5
272.03098	1.4
285.04025	14.8
286.04617	4.3
294.03391	0.9
298.01205	3.4
299.02066	7.8
299.05338	1.3
300.02759	19.3
301.03183	1.4
311.04190	1.3
312.02756	1.2
313.03549	57.7
314.04303	35.9
314.08075	1.0
315.05106	54.7
316.05466	2.5
327.05093	0.9
329.06326	1.1
357.06158	6.8
381.06122	1.1
461.07291	1.9
476.09583	6.9
477.10440	17.1
478.10666	1.5
482.15759	0.8
519.11432	100.0
520.11719	8.4
541.13000	1.2
561.12506	12.7
580.27631	0.9
585.12317	1.0
681.16724	36.1
682.17352	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	725.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88278	0.2
57.03451	6.7
59.01159	0.1
59.01385	1.5
61.98814	0.2
71.01384	2.7
72.33845	0.2
73.02940	0.7
77.03980	0.3
77.11028	0.1
81.07108	0.9
83.01385	0.2
83.05005	0.4
85.02954	1.1
89.02452	0.3
93.03417	0.2
95.01370	0.4
95.05018	1.4
98.21773	0.3
99.00935	0.3
99.08161	35.8
100.08514	0.6
101.02441	1.9
101.06079	0.2
102.55730	0.2
103.32875	0.1
105.03436	0.6
109.06594	1.1
113.02452	1.5
121.02967	0.3
123.04530	73.0
124.04873	1.3
127.07658	48.5
128.08020	0.9
129.05583	34.2
130.05920	0.5
131.03175	0.2
133.10278	0.2
135.29819	0.2
138.03203	1.0
143.03467	0.2
149.02414	0.2
153.05579	39.4
154.05907	0.9
159.02994	0.4
161.04572	3.8
171.06633	8.8
172.06992	0.2
189.07692	2.6
285.09805	12.1
286.10159	0.3
415.15997	0.2
439.15967	0.7
457.17157	100.0
458.11090	0.3
458.17523	5.7
616.59967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4116
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16471	1.0
56.72698	1.1
57.03442	3.6
59.01375	7.6
61.98837	5.1
65.70412	1.0
67.72760	1.2
69.03439	1.1
69.85736	2.0
69.86050	1.4
71.01382	3.9
73.02956	1.1
73.40688	1.2
74.43994	1.0
75.00861	2.2
83.01415	1.8
85.02953	1.9
89.02428	2.4
95.01447	1.1
97.06599	1.7
100.62679	1.2
101.02437	4.5
113.02454	2.4
125.09734	3.3
155.72031	1.2
156.60625	1.2
163.40646	1.1
163.43008	1.1
167.10735	4.0
169.82304	1.0
171.10228	3.2
185.11832	100.0
186.12186	4.1
201.11305	1.4
229.10786	3.3
231.48390	1.1
253.09296	3.3
277.18738	1.9
277.21732	30.5
278.22083	2.2
447.18555	1.3
465.19766	2.6
647.36682	1.2
725.41199	95.8
726.41675	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79245	4.0
59.01384	5.8
61.98816	8.5
70.66905	6.4
94.24778	3.6
97.06598	7.2
99.78806	4.2
108.28099	3.8
127.87860	3.6
139.11418	3.9
144.89783	4.1
167.10832	7.2
184.79492	4.8
185.11824	58.4
186.12057	4.1
277.21695	71.8
278.21796	6.3
376.60852	4.1
725.41205	100.0
726.41443	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	727.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81081	0.6
59.01361	1.1
60.11864	0.7
69.25558	1.4
69.25951	2.1
71.01382	11.1
72.99310	2.0
87.00861	1.2
89.02459	1.4
98.22595	1.8
103.00381	1.1
107.01395	0.8
109.02960	1.1
112.98829	2.0
115.00372	31.0
119.05025	24.1
123.04471	0.8
125.02482	3.0
133.01431	100.0
133.02850	6.2
134.01764	1.2
135.04507	2.2
143.99355	0.7
147.04523	10.7
150.77698	0.8
151.03998	0.8
161.02461	1.9
163.00398	1.6
163.04002	32.1
164.04410	0.7
167.03511	1.1
175.04076	1.5
177.01910	1.1
179.03493	0.9
191.03555	0.8
199.04060	1.2
201.01936	1.5
213.05547	0.8
219.53708	0.6
243.03102	0.8
255.03094	1.0
269.04538	1.5
279.05042	10.5
284.03317	3.9
285.04031	12.2
297.03995	12.6
298.04800	11.7
299.05524	7.8
311.05649	3.5
324.02515	0.9
325.03586	1.9
327.05087	43.1
328.05289	1.7
339.05118	5.7
341.07019	1.0
357.06116	33.6
358.06473	2.2
369.06021	1.5
399.07077	0.9
411.07095	0.7
429.08191	2.6
447.09283	93.7
448.09610	6.5
528.52972	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.8
59.01378	100.0
59.67082	0.5
60.01715	1.1
61.98843	0.8
70.89541	0.5
71.01382	17.2
73.02942	8.7
83.01373	3.2
85.02956	5.6
87.00900	0.6
89.02441	13.9
91.10240	0.5
95.01408	1.4
97.02968	0.4
99.00919	0.5
101.02436	13.8
111.85509	0.5
113.02451	8.6
119.03498	5.7
131.03523	1.8
143.03520	2.0
149.04567	0.9
154.92447	0.6
156.89064	0.5
161.04533	4.9
179.05634	3.3
296.17343	0.5
448.88586	0.5
623.34448	5.7
624.34991	0.9
632.35468	0.9
641.34961	3.9
641.85986	1.1
642.35852	0.9
683.36560	3.5
684.37360	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88082	0.6
59.01377	17.5
64.29669	0.6
66.67864	0.5
70.88365	0.5
71.01397	1.7
71.44769	0.5
76.66211	0.5
77.96563	0.5
82.12812	0.6
89.02431	1.5
101.02462	1.6
108.58398	0.5
113.02408	0.6
115.68225	0.6
125.09674	0.7
127.11307	1.7
142.03583	0.6
154.83011	0.6
171.10271	100.0
171.26131	0.5
172.10677	2.6
206.15247	0.5
234.14030	0.6
235.08223	2.1
253.09210	5.3
277.21719	50.2
278.22025	2.2
301.88107	0.5
314.01471	0.5
407.19342	3.3
451.58514	0.6
513.30463	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.7
63.96238	0.3
71.05016	0.7
79.95734	17.2
80.96518	9.0
80.97018	0.2
81.03441	0.2
95.05042	0.2
101.87542	0.2
108.00055	0.2
135.04626	0.2
145.08749	0.3
151.11237	0.2
172.99135	5.3
187.09705	0.2
188.01501	4.9
214.17802	0.2
258.05621	0.9
273.08023	100.0
274.08319	4.3
383.11234	0.2
602.95081	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81356	1.1
54.10157	1.2
58.10220	1.1
58.19608	1.2
59.01381	42.1
66.04323	1.1
66.12438	1.3
69.30416	4.5
69.30836	2.3
71.01387	16.4
73.02949	13.0
82.97871	1.2
83.01389	4.1
85.02953	3.8
86.58079	1.2
89.02451	11.0
92.67285	1.2
95.01399	1.4
101.02448	12.3
113.02448	7.9
119.03513	3.6
138.79561	1.2
143.03506	1.8
156.17577	1.5
158.71777	1.2
242.55421	1.3
301.21783	3.3
463.27151	1.6
481.28067	5.0
523.29144	100.0
524.29437	10.6
583.92725	1.4
731.76373	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	65.8
61.98817	20.3
69.51591	9.3
69.51984	20.8
71.01379	38.6
85.02953	12.9
89.02430	18.0
89.12101	7.0
101.02450	17.5
113.02438	21.2
118.52853	7.7
132.48349	7.8
268.45703	7.7
297.26181	8.9
685.34436	100.0
686.34766	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	730.237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.1
61.98816	3.5
69.57324	0.6
70.07396	1.1
75.49284	0.5
78.18882	0.6
80.69048	0.5
187.63271	0.6
236.58525	0.7
276.72726	0.5
277.37494	0.6
279.23233	0.6
392.99496	0.6
496.13837	1.2
512.13171	0.9
526.14911	2.0
586.17090	0.7
600.19275	0.8
601.19604	4.0
602.19800	0.7
614.20209	2.4
618.15814	0.9
628.03833	0.6
640.17957	0.8
687.23016	3.8
688.23212	0.7
730.23676	100.0
731.23975	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62407	4.5
59.01378	100.0
61.98831	63.3
70.83762	6.2
77.28348	4.2
94.92474	4.4
95.62081	6.5
135.32220	5.3
182.78064	4.4
200.28429	5.2
264.86987	5.0
328.73099	4.9
466.15143	6.4
467.16022	12.6
482.18823	10.6
495.17624	7.9
496.16586	18.3
497.15887	6.4
498.17813	11.1
510.21634	5.4
538.20715	12.2
539.15625	7.4
568.22034	21.3
583.16949	31.5
611.19525	5.9
626.22534	8.4
642.21838	7.0
670.21429	25.4
730.23547	63.3
731.24139	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	730.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41896	3.1
61.98821	15.9
77.88445	3.9
102.71611	3.5
106.67571	3.5
118.30284	3.6
123.68156	3.8
180.14006	3.6
190.39009	3.8
231.26848	4.0
239.82748	4.3
255.23019	4.0
466.22812	4.0
495.16718	4.2
526.14691	5.1
527.14850	5.8
569.16516	6.5
586.16968	4.6
596.19238	12.1
601.22601	11.0
612.18372	17.5
618.15906	5.9
655.21008	8.9
672.20679	46.9
673.20758	9.9
687.22833	6.5
730.23608	100.0
731.24194	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	730.2833
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79440	2.8
59.01379	28.9
61.98798	4.5
65.30847	2.9
65.33287	2.8
69.42273	2.5
71.01366	12.2
73.54769	2.7
82.68726	2.5
85.02911	2.9
87.40099	2.4
89.02428	12.7
89.72512	2.9
101.02451	4.8
109.87201	2.8
113.02377	3.3
119.03462	2.5
121.05326	10.8
132.04530	16.0
134.06116	17.4
146.22652	3.5
150.05609	4.9
152.07146	8.6
160.04076	3.0
176.86542	2.7
189.39676	3.0
190.05083	9.1
192.06641	13.0
201.35350	2.6
214.86273	3.0
251.07440	2.9
260.59357	3.0
263.08148	4.2
279.11334	3.3
280.08456	4.5
291.07828	10.4
295.10876	5.7
309.08578	2.7
323.10425	26.4
337.11984	7.5
338.12729	24.3
338.88080	2.9
357.14615	6.8
517.18726	5.3
518.19122	16.6
537.52283	3.1
547.84918	2.8
622.23969	6.4
686.29175	11.3
698.25977	10.1
712.32806	5.1
730.28217	100.0
731.28375	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08290	1.2
59.01379	100.0
61.98828	6.5
69.15478	7.9
71.02782	1.3
78.95873	1.2
96.79635	1.3
168.72856	1.2
292.13715	1.3
299.90579	1.4
433.43893	1.4
495.06470	1.4
496.14005	3.4
510.15982	1.4
511.16357	1.5
539.15643	4.6
553.17413	7.3
585.19885	2.9
597.19971	2.7
598.20697	9.4
671.23834	11.8
672.24146	1.6
731.25739	81.1
732.26123	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	731.2579
Annotation	Ilicifoline
Peak:m/z	Relative Intensity
59.01380	100.0
61.98827	22.4
70.70746	4.1
70.71107	9.3
78.95876	4.8
261.86716	5.0
490.49969	5.8
496.14557	6.1
553.17035	10.2
597.19110	5.1
598.20361	14.9
671.23737	16.4
731.13092	5.2
731.25665	96.0
732.25732	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	731.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87587	0.9
54.82208	1.0
59.01378	2.2
59.32676	1.2
61.98821	1.9
63.24544	0.9
70.59887	1.4
75.68000	1.1
79.95732	14.1
80.96511	5.2
101.02425	1.0
130.24966	1.0
172.99135	2.9
177.04297	1.2
188.01430	4.5
192.06647	1.9
275.09601	100.0
276.09906	4.3
284.37827	0.9
444.88379	1.1
445.14166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	100.0
71.32201	0.8
80.96532	3.0
91.01864	0.7
115.27289	0.7
153.69102	0.8
164.52910	0.7
199.13370	1.6
277.21698	1.8
307.61115	0.9
334.01178	0.8
495.20773	0.9
731.37469	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	733.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.2
61.98824	4.5
70.97748	1.6
78.91895	1.9
83.77954	0.8
95.66444	0.9
96.95995	1.2
100.02694	0.9
120.55780	0.8
138.54709	1.0
192.36450	1.0
348.09351	1.0
427.14246	1.0
442.16321	2.1
453.12082	1.8
454.09216	1.5
455.17432	7.3
456.17511	1.2
457.18948	12.2
458.19016	1.6
469.11426	2.1
473.18277	11.3
474.15445	2.6
481.11166	1.7
485.18188	4.6
496.13599	8.3
497.14197	2.9
498.14828	1.1
511.15848	11.2
512.13281	20.0
513.13739	4.5
513.21313	1.4
515.19019	1.0
526.14923	14.8
527.15582	13.3
528.16211	3.6
529.17102	1.9
539.19678	1.3
555.18420	1.8
560.15253	1.2
583.18024	7.8
584.18378	1.9
597.20190	4.2
599.21973	6.8
600.20795	1.5
613.19470	1.6
614.20178	100.0
615.20667	32.2
616.20856	3.6
629.22791	1.3
641.18909	1.2
646.19556	3.2
673.21881	4.2
684.56995	1.3
733.23444	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	733.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	30.2
98.22603	6.0
102.97707	2.1
108.83004	1.9
120.89242	1.9
131.22987	1.8
145.97395	2.1
149.41196	2.2
168.43320	2.7
330.20563	2.4
397.53409	2.3
406.27661	2.1
481.15399	7.4
482.15594	2.8
496.17453	3.7
497.18164	3.6
523.16101	4.0
535.16956	2.2
541.17438	3.6
555.18744	5.4
557.20404	2.9
567.18677	3.4
583.21234	3.5
586.20386	4.8
587.21521	31.3
588.21906	6.1
609.19403	3.1
628.22437	2.6
639.74286	2.4
641.22504	100.0
642.22729	14.6
643.23877	2.4
646.22284	6.0
659.23108	14.9
673.25165	46.2
674.25348	7.4
705.27917	2.4
723.19940	2.5
733.26953	15.4
734.28210	6.2
762.85004	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	735.2042
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88990	0.6
59.01374	2.0
61.79866	0.6
68.99818	1.0
69.14452	3.6
72.99334	1.3
84.99313	5.4
87.00877	14.4
93.44675	0.6
96.67616	0.7
105.01981	0.7
108.02184	3.6
109.02953	33.1
110.03325	1.0
111.00890	0.8
112.98812	81.8
113.99142	2.5
115.78236	0.7
119.05082	0.8
121.02969	0.8
123.04521	0.8
125.02429	1.0
127.00337	1.2
130.99875	4.1
133.02953	4.2
134.03760	2.8
135.04527	61.2
136.04858	1.9
137.02411	3.1
137.25455	0.6
139.00417	4.7
145.02943	1.1
146.03757	0.9
147.04518	1.1
149.00931	11.4
149.06099	1.1
151.04070	0.8
154.24455	0.6
154.99864	0.9
159.04555	3.6
161.02446	16.0
162.02759	1.0
163.04015	7.8
173.02396	1.0
173.05945	0.8
175.03946	0.9
177.05566	2.1
179.03497	38.2
180.03833	1.5
184.80135	0.7
187.04080	0.7
191.03545	6.1
205.05112	2.3
214.05176	0.7
219.02988	26.5
220.03348	1.1
221.04683	1.6
231.02983	4.1
239.03288	0.7
239.07243	0.9
240.04384	0.7
241.05092	1.9
244.12148	4.8
246.26352	0.7
249.03885	0.8
253.05243	0.6
260.11624	2.3
266.05865	1.1
267.06586	6.6
268.07294	2.7
270.10117	4.6
271.10355	0.7
271.73331	0.7
272.11688	6.0
273.12439	50.8
274.12790	2.6
275.02023	1.5
283.09726	3.4
287.14001	13.6
289.07300	1.8
293.03021	56.8
294.03214	2.9
298.09576	5.2
299.10254	2.0
309.07581	0.8
313.11917	6.2
364.58145	0.7
380.13965	1.1
381.14481	6.5
382.15341	11.2
383.15735	0.9
395.15982	1.1
397.17673	100.0
398.17999	8.6
408.13272	0.9
423.15662	11.0
424.16208	0.8
441.16623	11.2
441.21878	0.4
442.17056	0.8
559.20764	1.1
573.17450	6.3
574.17694	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43057	0.8
59.01371	2.9
64.02913	0.9
69.68581	2.5
72.99310	3.2
77.16484	0.8
80.55078	0.8
84.99303	4.8
85.31601	1.0
87.00879	22.9
98.06539	0.8
103.00367	1.5
107.05055	1.0
108.02190	3.6
109.02963	13.1
111.00874	1.2
112.98808	100.0
113.99167	1.0
121.02935	1.4
123.04516	2.5
125.02435	2.0
130.99864	7.6
133.02963	4.5
134.03793	1.0
135.04527	31.6
137.02432	3.9
139.00389	2.4
145.02960	2.4
146.03748	14.2
147.04552	8.5
149.00916	45.5
151.04016	1.1
158.03722	3.0
159.04509	12.9
161.02438	11.7
161.06049	1.6
163.04051	6.0
173.02400	1.4
174.03307	1.3
175.03946	1.3
177.05591	2.1
179.02028	1.1
179.03522	17.0
187.04010	1.2
188.03528	10.0
189.04210	3.1
191.03494	4.2
202.26033	0.9
205.05064	1.7
219.02982	16.2
220.03320	1.4
231.02948	2.8
239.03465	2.6
240.04298	3.0
249.03864	1.6
260.11649	10.7
261.12436	6.5
266.05957	1.5
267.06680	9.4
268.07355	8.1
271.10794	1.5
272.11603	3.2
273.12439	18.9
274.13080	1.5
275.01898	1.3
282.08701	1.1
283.09763	13.7
284.10074	1.4
293.03012	39.0
294.03226	1.4
298.09808	1.9
299.10355	19.3
300.10687	1.4
311.04086	2.9
381.14532	4.8
382.15332	8.5
397.17670	70.1
398.17871	5.6
407.12405	2.5
408.12851	1.5
423.15649	23.1
424.16101	2.7
441.16653	93.1
442.17007	9.3
483.17764	7.4
559.20770	1.0
573.17279	12.5
574.17749	1.7
625.12567	1.2
735.16931	0.9
735.89636	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74009	0.1
52.72012	0.2
54.43747	0.2
56.49508	0.2
57.03203	0.2
57.03447	1.0
63.02399	0.5
65.00321	2.3
67.01889	0.8
68.99815	1.2
70.52335	0.2
70.52646	0.3
73.32542	0.2
73.98867	0.2
81.03445	0.4
81.43200	0.2
83.01384	7.1
85.02956	0.6
93.03425	0.3
93.74659	0.2
94.98947	0.2
96.96000	0.2
107.01386	2.9
109.02946	2.7
111.00876	0.6
112.98827	0.5
119.05006	0.5
122.03725	0.2
123.04509	2.3
125.02446	5.8
126.02788	0.2
133.02937	0.2
135.04497	1.3
137.02382	0.2
138.84224	0.2
149.00893	0.8
151.00371	13.0
151.03999	3.2
152.00664	0.2
153.01933	100.0
154.02274	2.0
161.02460	0.4
163.04071	0.3
165.01996	0.2
179.03502	0.9
181.05070	1.0
183.02975	0.5
219.02960	0.3
261.00760	2.8
293.03064	0.6
305.06769	0.4
350.35867	0.2
397.17685	0.4
424.72815	0.2
541.93805	0.2
592.76947	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	40.7
60.03510	0.2
62.39973	0.2
69.03461	0.4
69.29608	0.9
71.01380	0.5
75.22733	0.2
80.21434	0.2
82.25320	0.2
85.06592	10.8
86.06938	0.2
89.02463	0.4
101.78835	0.2
109.23508	0.2
113.06095	17.5
114.06400	0.3
118.96616	0.2
129.05579	0.2
131.07144	100.0
132.07486	1.9
132.98196	0.3
149.04590	0.3
173.08189	56.9
174.08533	1.3
174.99205	1.2
196.97594	0.4
216.12352	0.2
217.00304	3.3
217.07111	0.3
245.09879	0.2
259.01501	0.2
615.19537	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66481	2.9
59.01119	2.9
59.01382	41.8
61.98813	5.2
62.41085	2.0
62.64854	2.1
71.01386	23.8
73.02948	5.0
83.01386	4.0
85.02943	5.6
87.00867	6.0
89.02444	20.7
89.59628	2.0
97.02956	2.2
98.21796	4.2
101.02444	18.2
107.98551	2.0
113.02454	10.0
119.03514	8.6
125.02469	9.7
143.03526	4.4
161.04536	4.0
179.05569	4.4
190.63684	2.2
194.17696	2.0
217.34720	2.1
221.06555	2.2
235.08218	9.2
279.23294	70.0
280.23566	4.2
305.08719	3.2
395.66913	2.1
397.13516	100.0
398.13840	6.8
415.14603	31.1
427.44427	2.5
677.37390	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	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	64.7
64.51194	1.4
69.03438	2.1
69.22196	1.3
70.75896	1.7
71.01379	28.5
73.02937	5.1
83.01367	2.2
85.02953	5.1
87.00883	5.3
89.02445	23.1
90.68767	1.5
95.01385	2.5
96.95951	1.7
97.02924	3.5
101.02440	21.9
106.13036	1.4
107.11801	1.3
113.02431	9.7
114.67471	1.4
117.87965	1.4
119.03482	6.6
121.51139	1.8
122.67281	1.5
125.02475	7.3
131.03558	1.5
134.00043	1.3
141.01701	22.1
141.18779	1.5
143.03516	4.9
161.04567	3.7
179.05545	5.5
221.06924	1.5
223.01961	2.3
235.08266	10.3
253.09302	2.7
268.09039	1.4
279.23300	81.4
280.23566	3.5
293.51947	1.6
305.08734	4.5
397.13495	100.0
398.13687	5.2
415.14554	29.6
677.37531	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20596	1.1
59.01382	7.2
61.98822	2.0
69.03450	4.1
69.22808	6.6
71.01362	4.8
71.05019	1.3
76.75603	1.0
78.51572	1.1
78.95921	1.3
81.62645	1.2
85.02938	2.0
89.02466	2.6
89.46186	1.1
92.17986	1.3
97.06609	1.5
101.02451	2.7
113.02450	1.8
125.09737	2.2
147.04831	1.1
151.11320	3.0
161.04486	2.1
161.09709	3.5
179.10767	8.4
197.11844	48.4
213.30618	1.1
223.09772	1.2
241.10785	2.6
253.09256	2.7
277.21735	57.4
278.22122	3.6
294.11707	1.1
571.57562	1.3
737.19708	2.8
737.41144	100.0
738.41382	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	737.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.9
59.87416	1.3
61.98820	3.4
66.14247	1.3
69.03452	3.7
71.01381	5.2
71.05032	2.8
71.43903	1.1
73.02932	1.4
79.55359	1.0
83.52769	1.1
85.02959	2.1
89.02450	2.4
92.55134	1.0
101.02441	4.7
113.02483	1.9
121.25185	1.3
125.09702	3.3
151.11301	2.0
153.12865	1.6
161.09677	2.7
179.10817	6.8
197.11839	89.3
198.12158	4.1
241.10823	3.6
253.09218	4.2
277.21735	23.4
278.22003	2.3
325.32306	1.3
355.03125	1.2
461.39828	1.2
477.19504	2.5
515.56769	1.4
626.53729	1.3
672.63055	1.6
737.41162	100.0
738.41565	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	737.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.5
63.34991	1.2
67.22328	1.1
68.31129	1.1
71.44018	1.2
90.97132	4.6
103.38622	1.5
109.32295	1.3
132.98187	7.4
185.21291	1.4
213.04474	2.1
235.70024	1.4
273.04584	2.5
301.21780	9.6
306.87424	1.5
319.22815	5.7
320.23026	2.0
341.10370	1.5
347.18918	1.6
362.77899	1.3
373.16830	6.2
375.18491	14.8
379.18243	4.7
389.20282	2.3
391.21786	3.6
417.19623	47.8
418.20081	3.1
419.17453	3.5
461.18518	3.1
476.67664	1.5
631.40027	1.8
659.39673	11.3
675.39056	2.6
677.40997	48.8
678.40973	6.2
703.38928	1.6
721.40009	2.1
737.43134	100.0
738.43286	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	737.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	17.2
60.54228	0.2
80.71253	0.1
81.02994	0.3
81.03461	5.1
82.06622	0.4
83.05027	14.4
84.05345	0.3
100.07671	0.3
103.26275	0.2
107.06137	0.4
108.04539	0.5
125.07212	1.1
126.05659	0.2
143.08243	0.3
152.03244	0.2
181.17073	0.2
207.15002	1.3
224.17683	2.0
225.16093	13.2
226.16412	0.6
242.18788	0.5
250.15697	0.2
251.14046	0.2
271.04169	0.2
290.22552	0.3
309.21783	0.7
324.26535	0.5
333.22855	0.7
341.29205	1.0
351.24210	0.2
367.27234	1.3
385.28079	0.2
433.31854	1.2
450.34357	1.1
451.32895	7.9
452.33234	0.7
468.35010	0.2
550.43335	1.2
559.39307	0.4
561.74957	0.2
565.44653	0.3
577.40936	0.2
593.44025	0.7
659.48901	2.0
660.49133	0.4
677.49670	100.0
678.49988	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	738.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41944	0.1
59.01385	0.4
61.98831	100.0
62.98549	0.2
70.63631	0.1
71.01393	0.4
73.93162	0.1
76.99811	0.1
89.02453	0.2
98.22671	0.2
101.02467	0.2
104.81762	0.1
205.00894	0.1
250.52917	0.1
277.21835	0.2
278.22134	0.3
279.22556	0.2
342.40317	0.1
397.13458	0.2
398.13861	0.3
399.14035	0.4
400.14682	0.2
417.14972	0.1
558.09503	0.1
562.62256	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.5
61.98830	100.0
62.98545	0.1
71.01387	0.2
73.45485	0.1
80.17839	0.1
85.02952	0.1
89.02435	0.2
98.41643	0.1
101.02440	0.1
125.00190	0.1
179.56834	0.1
220.99689	0.1
242.78282	0.1
271.32474	0.1
277.21832	0.4
278.22162	0.2
279.22614	0.2
280.22656	0.1
397.13602	0.2
398.14178	0.3
399.14020	0.4
400.14420	0.1
417.15378	0.1
451.04828	0.1
546.58588	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89085	0.8
57.23928	0.8
59.01369	3.4
69.09279	2.1
69.09689	3.3
69.44198	0.7
71.01355	1.5
78.95901	2.1
83.72513	0.9
89.02441	1.4
92.92711	0.8
100.03217	0.8
101.02449	1.0
105.51501	0.9
117.97068	0.8
127.11315	1.6
152.99622	1.6
161.04506	1.7
181.12285	1.3
197.11732	1.0
199.13396	100.0
200.13689	2.3
201.94899	1.0
235.08208	3.2
253.09282	12.4
267.66693	0.9
277.21738	74.1
278.22098	5.3
279.23337	6.1
428.99289	0.8
435.22311	3.3
459.34818	4.1
513.30750	1.1
738.51044	1.2
739.42145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5081
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
57.39198	17.1
59.69133	15.2
69.76248	15.7
70.52908	16.8
71.43986	16.1
78.95914	32.4
86.42402	17.4
204.35410	16.6
215.82407	17.5
239.06361	16.1
277.21713	24.3
279.23245	100.0
313.69687	19.4
362.45923	22.2
507.52686	18.5
622.70105	18.1
694.60400	17.5
738.50909	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	38.3
61.09303	1.4
61.98825	5.6
62.30683	1.2
62.55297	1.3
69.78301	3.0
71.01382	21.1
73.02935	4.8
78.95883	2.3
83.01398	2.1
85.02964	4.1
87.00906	5.5
89.02442	16.8
95.01351	1.7
96.96013	1.5
97.02981	4.0
101.02444	18.2
113.02452	7.6
119.03500	6.7
125.02443	6.7
132.52092	1.4
141.01727	1.7
143.03522	2.0
161.04573	3.6
179.05573	4.0
235.08235	11.1
264.29181	1.5
277.21771	2.1
279.23416	2.2
281.24872	72.2
282.25217	3.4
305.08707	4.4
397.13498	100.0
398.13953	3.6
400.86490	1.7
415.14453	25.3
432.94766	1.6
464.63901	1.5
679.38947	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	739.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	39.7
61.98809	2.3
71.01006	2.1
71.01382	25.9
73.02955	6.2
75.46049	1.0
79.39491	0.9
83.01387	3.0
84.95127	1.4
85.00436	4.4
85.02944	5.0
87.00874	6.2
89.01929	2.0
89.02448	24.3
95.01397	2.4
97.02937	4.0
99.00861	1.1
101.02448	18.1
113.02444	11.1
119.03539	6.9
120.76655	1.0
125.02442	9.8
131.68718	1.0
142.70923	1.0
143.03517	5.1
161.04572	3.8
179.05608	4.1
221.06642	1.2
235.08226	11.3
245.06676	1.2
253.09233	1.9
277.21768	1.6
279.23166	1.7
281.24854	80.1
282.25168	4.8
287.07669	3.9
305.08676	4.0
323.09872	1.2
357.03952	1.3
397.13480	100.0
398.13828	5.8
415.14597	30.9
501.13303	1.1
679.38940	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08953	1.6
59.01384	13.2
61.98818	2.6
69.64365	7.2
71.01378	6.0
71.04999	2.2
78.95947	2.0
89.02427	3.1
96.36868	1.6
97.02918	3.4
99.00883	14.4
100.43505	2.0
101.02460	3.1
108.68929	1.8
113.02425	2.2
116.92860	2.0
125.09721	4.4
163.11324	8.6
181.12320	17.5
186.04016	1.8
187.20850	1.8
199.13385	10.6
207.10246	27.9
217.00325	2.3
225.11340	36.5
243.12404	24.3
277.21716	13.2
281.24857	2.3
354.82385	2.3
397.13416	4.6
419.85696	1.8
461.20212	2.9
479.21323	9.4
737.48724	1.9
739.42773	100.0
740.43097	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	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	4.3
61.98835	2.6
71.01394	2.9
71.05014	2.2
77.18026	1.2
78.95890	4.6
79.95728	2.9
83.04990	1.4
89.02417	1.4
91.20158	1.2
96.00922	1.7
96.92197	1.5
96.96011	100.0
96.96989	3.6
97.02905	1.5
97.06572	2.2
99.00878	8.7
101.02425	1.9
123.03844	1.1
123.08128	1.3
125.09724	4.9
163.11269	7.6
169.96339	1.2
181.12349	10.1
199.13440	3.0
207.10284	9.8
225.11263	10.6
243.12415	6.6
264.80469	1.5
277.21710	15.5
281.24823	1.6
319.78665	1.3
397.13409	2.1
475.48148	1.5
479.21127	1.5
500.60095	1.2
540.16315	1.4
628.33881	1.4
739.42700	55.2
740.42957	5.2
743.17963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4947
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00148	1.4
70.11989	1.9
70.12319	3.4
78.95888	2.4
83.47280	1.4
89.85475	1.5
91.05527	11.5
117.03470	55.6
135.04512	2.2
139.65678	1.6
190.47169	1.5
207.78165	1.5
279.23273	3.7
280.23511	1.7
301.21722	75.2
302.22070	3.1
319.22769	100.0
320.23026	5.7
437.26974	81.2
438.27121	4.4
543.90625	1.8
723.54919	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	740.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.11094	0.1
61.98832	100.0
62.98523	0.1
71.01405	0.2
71.26717	0.1
89.02463	0.1
101.02463	0.2
187.41698	0.1
274.61328	0.1
279.23392	0.3
280.23676	0.3
281.24078	0.1
397.13699	0.2
398.13968	0.2
399.13821	0.4
400.14429	0.2
448.91129	0.1
557.77979	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.6
60.77291	0.1
61.98830	100.0
62.98534	0.1
64.07285	0.1
69.58674	0.1
70.66112	0.2
70.66444	0.1
71.01379	0.3
73.40916	0.1
85.17619	0.1
89.02457	0.2
101.02455	0.2
140.16071	0.1
148.07117	0.1
186.98997	0.1
230.47487	0.1
233.15706	0.1
245.24455	0.1
279.23279	0.3
280.23663	0.6
281.23901	0.2
354.23715	0.1
397.13776	0.3
398.13763	0.3
399.14029	0.6
400.14432	0.3
416.15140	0.3
459.32391	0.2
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
58.73439	0.1
59.01355	0.1
60.23025	0.1
61.98829	100.0
83.05028	0.2
115.00702	0.1
119.69167	0.1
139.17189	0.1
186.56894	0.1
422.24780	0.1
448.77151	0.1
484.08136	0.1
497.21579	0.1
586.43530	0.1
678.49988	0.2
679.50983	0.3
680.33228	0.1
680.50647	1.2
740.49164	1.8
741.49316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
60.01704	2.3
69.19633	8.5
71.01384	59.5
77.61809	1.5
81.35737	1.4
85.02964	10.1
87.00881	3.3
89.02448	87.4
90.02795	1.6
94.20442	1.6
95.01414	3.8
101.01797	2.4
101.02451	27.5
113.02458	25.0
119.03502	31.0
131.03519	4.9
143.03473	8.6
149.04562	1.9
153.68613	1.8
161.03395	1.6
161.04558	10.0
179.05618	40.5
200.20244	1.6
298.29181	1.6
343.21329	1.8
501.17685	18.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.428
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.4
59.01381	33.0
61.98820	10.0
63.03130	0.9
68.37730	1.0
71.01013	2.0
71.01381	23.9
72.99310	1.3
73.02947	4.8
78.95889	3.3
80.30223	1.0
83.01392	4.1
83.37341	1.0
85.02947	6.2
87.00867	4.6
89.02444	22.3
95.01366	2.1
96.96031	1.3
97.02956	3.9
98.21769	2.5
99.00922	1.2
101.02441	16.2
110.31358	1.0
113.02428	7.0
116.92849	1.4
119.03507	5.9
125.02441	7.1
131.03471	1.6
141.01750	1.4
143.03476	3.5
145.66455	1.0
161.04556	3.3
179.05606	4.1
209.82684	1.1
235.08235	9.1
261.92859	1.1
283.26437	56.0
284.26740	4.1
287.07709	3.0
305.08881	4.0
318.42319	1.1
397.13483	100.0
398.13770	7.0
415.14590	28.9
416.14722	1.4
681.40619	7.4
741.43494	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
61.98832	100.0
65.49731	0.2
69.32249	0.9
71.01427	0.2
94.01228	0.2
98.22637	0.4
113.40960	0.2
113.86929	0.2
120.89632	0.1
151.89418	0.2
158.11937	0.2
281.25110	0.2
282.24664	0.2
365.87158	0.2
393.07693	0.2
398.14224	0.3
399.13943	0.3
760.94849	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99488	0.3
61.98829	100.0
78.30135	0.4
78.95928	0.4
80.96516	0.4
88.98823	1.1
96.66634	0.3
139.45805	0.4
238.37439	0.3
281.24881	0.5
347.75391	0.4
387.26007	0.4
399.14297	0.5
435.08655	0.4
473.45255	0.4
519.30652	0.4
567.27026	0.4
579.29034	0.6
611.47845	0.4
757.37689	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	3.0
59.01384	33.4
59.71595	2.5
61.98825	7.1
68.99817	26.9
71.01405	4.2
81.99355	2.4
82.95421	41.2
84.16567	2.1
85.02969	2.5
89.02458	3.1
96.95967	3.0
101.02479	3.7
108.02180	46.0
109.02939	7.8
121.02960	2.8
122.03720	6.1
123.00884	14.1
123.04525	42.4
124.04814	2.8
132.02162	7.1
133.02975	3.7
136.01648	10.5
138.03238	17.2
147.04544	2.8
148.01654	3.8
150.03233	22.5
151.00342	3.9
151.04019	14.9
160.01651	2.5
161.02457	19.7
162.03236	58.7
163.04039	19.8
164.04726	3.6
165.05620	2.9
166.02715	10.1
172.15479	2.5
175.04063	3.6
177.05563	80.9
178.02711	47.2
179.03476	5.0
181.05118	10.8
193.03285	5.3
193.05054	97.8
194.05893	11.9
195.06595	2.4
251.33308	2.4
336.43448	2.3
339.08704	8.6
357.09744	4.3
357.26700	2.7
369.13409	3.9
372.11899	2.7
387.14465	8.6
436.43207	2.7
551.19122	4.6
563.19360	9.7
581.20288	100.0
582.20593	9.9
684.47797	2.5
713.25586	2.9
743.25415	44.7
743.38074	3.0
744.25623	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	743.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.0
61.98820	2.5
69.16431	4.6
69.16836	4.5
70.16489	1.4
71.01380	9.0
73.02937	3.3
79.52673	1.3
82.95459	1.5
89.02451	9.3
96.96011	8.8
98.95605	4.6
101.02433	6.7
113.02426	5.6
119.03526	3.3
119.91047	1.4
144.42062	1.3
179.05563	1.5
243.21210	6.6
271.20676	3.9
289.21738	49.4
290.22083	2.8
303.23349	2.5
315.19717	11.3
333.20706	100.0
334.21054	5.5
375.21582	4.0
495.26004	61.7
495.33191	2.9
496.25888	4.4
537.27203	12.3
538.27100	1.9
743.85162	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	745.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
59.24773	0.2
60.01728	0.4
61.98833	0.4
65.80994	0.2
72.16133	0.2
87.15876	0.2
87.50458	0.2
90.53627	0.2
103.01498	75.7
114.82108	0.2
140.19046	0.2
283.54294	0.2
438.13193	0.3
472.96527	0.3
481.15237	1.1
482.15451	0.4
495.17078	0.3
497.18158	0.4
540.16327	0.7
555.10889	0.3
555.18774	3.6
556.19141	0.4
572.15558	0.4
586.17096	0.2
590.81329	0.3
634.12708	0.2
641.22522	1.2
659.23859	0.4
701.24719	2.5
702.24646	0.4
745.24725	0.6
757.21808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	46.7
60.01696	2.1
61.98825	3.7
69.34488	2.3
69.34892	6.4
69.80058	1.3
71.01385	10.6
75.35809	1.6
89.02456	9.3
93.03470	3.8
96.96001	2.2
101.02430	6.2
113.02428	4.3
119.03472	4.7
119.05054	1.9
121.02968	13.0
122.03735	18.6
122.10688	1.4
123.04498	2.6
133.02922	2.3
135.04538	17.0
136.01678	12.7
137.02394	2.9
145.02893	2.4
147.04456	1.6
149.02451	28.7
149.06102	1.6
150.03230	100.0
150.22525	1.5
151.00406	2.4
151.04022	18.9
162.03183	2.0
163.03957	2.5
164.04813	7.1
165.05576	94.1
166.02686	11.8
166.05927	3.3
167.03423	3.1
175.03989	4.9
177.05499	2.8
179.03427	2.1
179.05595	2.4
180.04262	5.5
181.05101	19.4
189.05562	3.6
190.06325	5.6
195.06627	62.8
213.78300	1.9
269.07947	1.6
297.07654	2.3
315.08490	2.4
329.10245	2.1
339.08740	3.5
342.11047	1.6
357.09540	1.7
357.13425	6.9
369.13425	4.8
372.12106	2.5
387.14514	50.7
388.14746	2.9
505.18829	2.9
535.19751	69.6
536.19946	6.9
553.20837	1.9
565.20056	3.7
583.21887	52.2
584.22241	4.2
683.02222	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	745.2718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13660	3.2
59.01379	100.0
61.98823	3.5
64.89636	2.4
71.01380	54.9
85.02951	8.0
89.02444	77.0
92.85760	2.5
93.03432	2.4
95.01351	4.6
97.00978	2.6
101.02457	35.0
113.02463	25.1
119.03516	37.7
120.06733	2.7
122.03738	7.4
131.03494	4.5
143.03545	6.4
143.61208	2.6
149.02484	13.1
149.04549	3.4
150.03235	30.6
154.87532	2.5
161.04518	3.9
165.05565	37.9
173.62775	2.7
179.05591	12.0
179.06981	3.1
182.39969	2.9
195.06607	21.1
208.31914	2.7
339.08755	16.6
354.11108	6.2
366.39291	3.0
369.13419	26.2
517.18573	9.9
535.20148	4.2
732.44836	3.2
745.27686	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	745.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70087	0.7
59.01382	7.9
61.98817	1.5
62.86766	0.7
68.98592	0.6
69.20255	1.8
69.20662	1.8
71.01380	4.8
82.95438	1.0
85.02943	0.9
89.02446	5.4
91.68196	0.6
93.03471	2.6
101.02454	2.4
113.02459	2.0
119.03513	1.9
120.01248	7.6
121.02952	5.3
122.03740	13.8
122.49010	0.6
135.04546	2.1
136.01646	6.5
137.02452	1.9
149.02429	12.9
150.03227	92.3
151.00352	1.8
151.04004	10.2
153.02060	0.6
160.05214	0.8
164.04831	3.2
165.05568	100.0
166.02725	7.5
166.05913	3.9
175.04010	0.7
179.05664	1.5
180.04301	6.5
181.05048	10.0
189.05577	1.1
190.06364	1.4
195.06619	89.6
196.06998	4.1
327.83691	0.7
329.10031	0.7
342.11029	1.7
357.09494	1.4
357.13388	6.5
369.13318	2.5
372.12057	1.7
387.14459	26.5
388.14725	2.6
448.19168	0.7
466.15219	0.7
470.04913	0.7
535.19733	4.6
553.20551	1.6
565.20416	1.0
583.21832	22.0
584.21649	1.9
745.26294	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.5
57.03448	0.8
59.01380	78.1
60.01726	0.5
61.98828	1.7
69.98447	1.6
71.01382	20.7
72.99303	0.9
73.02941	7.5
75.00858	0.7
83.01376	2.7
85.02953	6.3
87.00900	1.2
89.02443	12.6
95.01392	1.8
97.02970	0.5
98.21991	0.7
99.00883	1.1
101.02435	13.7
113.02456	7.4
119.03523	4.1
125.02533	0.7
143.03531	1.2
160.72173	0.5
161.04611	2.8
179.05617	2.5
210.69789	0.5
261.22296	0.8
273.22272	1.6
303.23196	1.5
421.55640	0.7
479.26474	2.4
497.27661	5.4
521.27521	5.3
532.65424	0.6
539.28613	100.0
540.29004	13.8
581.30054	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	745.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96063	1.0
57.24991	1.0
59.01381	12.3
61.38829	0.9
61.98824	1.7
69.54219	3.8
70.72755	0.9
71.01360	4.8
72.55973	0.9
73.02940	1.8
85.02937	2.3
89.02442	2.2
93.15852	0.8
96.95955	1.0
101.02438	4.6
113.02439	2.9
119.03458	1.5
125.31343	0.9
223.54428	1.1
275.20178	6.0
317.21219	4.4
335.22235	9.6
336.22415	2.0
449.45367	1.0
479.20209	1.6
479.26480	17.3
480.26685	1.4
497.27658	28.1
498.27667	3.5
539.28613	100.0
540.28918	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	745.4022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.9
57.03430	1.6
59.01383	99.7
61.37990	1.3
61.98827	7.3
69.37420	4.5
70.21166	1.2
71.01383	20.8
73.02962	8.8
83.01391	5.4
85.02959	14.8
87.00885	2.5
89.02439	6.8
95.01392	3.5
96.96024	1.7
98.22630	2.9
99.00861	2.1
101.02454	16.8
103.35251	1.3
113.02448	13.1
119.03493	2.2
143.03468	2.4
159.02969	1.6
161.04556	2.9
188.54480	1.4
226.79144	1.4
233.93814	1.4
258.62943	1.4
313.07324	1.3
332.28372	1.5
334.45743	1.5
337.83063	1.2
377.26862	2.5
393.22787	1.8
427.28305	2.3
434.59689	1.5
445.29532	4.6
463.30783	6.8
481.31696	20.0
482.31738	1.9
497.27643	1.6
532.73608	1.4
539.28210	19.8
540.28601	2.8
542.37048	1.4
563.79926	1.7
581.33502	3.7
589.33221	2.4
607.34631	8.1
608.35168	2.3
625.35931	100.0
626.36121	14.2
643.36908	17.2
644.37665	2.9
685.38184	19.1
686.37970	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	746.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53645	0.3
59.01381	6.6
60.01704	0.6
61.98836	0.5
70.98095	0.4
71.01405	1.4
78.27406	0.3
89.02457	1.8
101.02465	0.7
113.02467	0.6
119.03537	0.5
120.01255	100.0
121.03050	0.4
122.03757	0.4
127.06997	0.4
149.02446	1.0
150.03229	4.0
151.03584	1.1
153.61476	0.3
165.05565	4.0
166.02771	0.3
166.05916	0.9
179.05640	1.2
180.04303	0.6
180.05873	0.3
182.92482	0.3
192.06624	0.4
195.06596	2.4
196.06929	0.7
241.05440	0.5
262.15607	0.3
340.12604	0.4
369.13412	0.4
447.03662	0.3
450.07227	0.3
679.81329	0.4
760.99243	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50076	2.4
59.01377	31.0
61.65717	2.2
61.98827	2.9
62.71989	2.5
64.91467	2.1
69.39719	8.5
71.01407	14.3
71.01723	2.6
75.94739	2.5
81.81169	2.5
85.02929	2.9
89.02448	9.9
96.29148	2.2
101.02449	8.1
110.75449	2.2
113.02437	4.5
119.03544	3.0
134.06131	4.8
146.52689	2.4
186.94685	2.3
251.08217	3.5
253.09940	3.0
263.08157	3.4
279.07605	13.8
281.09323	8.7
293.09436	3.4
295.06906	2.8
311.10303	6.0
328.10550	2.6
368.10422	2.8
383.12894	4.9
387.11633	2.7
396.09598	4.0
398.11230	7.2
398.15369	6.2
411.12262	4.6
412.12564	4.2
426.14536	29.9
502.15970	5.5
606.20953	40.7
607.21710	3.4
638.23444	11.5
650.19385	7.6
682.22583	100.0
683.22314	12.1
714.24567	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	747.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
60.01724	1.1
69.89142	0.4
70.97421	0.4
76.29727	0.5
85.25453	0.4
136.97581	0.4
159.17145	0.5
186.69478	0.4
188.48714	0.5
440.14502	0.7
455.17319	3.8
456.17499	0.8
459.16708	0.7
467.13376	0.8
469.11359	0.7
473.18375	4.6
474.18701	1.2
483.12857	0.9
496.13434	2.2
499.16071	0.5
510.15497	0.7
511.12543	0.8
511.15533	0.7
512.13397	10.4
513.13745	2.0
525.14203	1.0
526.14917	12.3
526.22882	0.8
527.15271	3.4
569.16748	1.6
586.17285	1.3
599.18402	1.8
600.18640	1.9
601.19305	3.3
602.19763	0.7
613.19952	1.5
614.20203	80.2
615.20435	19.0
629.21844	0.6
632.17517	1.2
646.18958	2.6
647.19232	0.9
673.21210	0.7
687.23145	4.0
688.23297	0.9
747.25244	57.2
748.25488	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	747.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	59.9
61.98819	28.2
67.60385	6.0
78.24252	5.9
78.95962	7.0
87.00871	13.6
88.98796	27.1
89.02450	100.0
110.97341	5.8
124.43336	5.2
180.10533	7.2
256.67706	6.7
277.18863	7.4
327.33328	8.0
388.00815	6.5
465.10812	7.6
523.15765	9.4
526.14862	9.6
527.14935	6.7
557.79291	7.0
569.16571	8.1
596.19214	32.9
597.19788	23.4
599.20844	7.5
601.23145	41.0
602.23114	8.7
612.18811	39.5
613.19092	10.0
614.20685	10.0
627.20734	11.2
631.24390	16.7
655.20514	52.9
656.20166	9.4
657.22272	9.0
672.20709	55.8
673.20923	16.1
687.23022	17.2
747.25000	31.3
748.26233	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	749.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.1
57.98971	1.0
59.01379	1.8
62.28160	1.1
72.99306	2.1
74.19637	0.9
79.64721	0.8
82.37582	1.0
84.99300	4.4
87.00877	14.1
95.04987	1.5
97.02927	1.5
108.02182	4.0
109.02950	33.1
110.03262	1.1
111.00887	1.8
112.98809	90.8
113.99163	1.5
119.78307	1.0
121.02960	1.3
123.04531	4.3
125.02428	5.2
127.00346	1.1
129.87990	1.2
130.99879	5.5
133.02951	4.7
134.03749	1.9
135.04526	53.5
136.04886	1.1
137.02422	5.1
139.00357	4.0
146.03741	3.0
147.04532	3.6
148.99835	1.6
149.00929	14.9
149.02274	1.4
149.06236	1.1
151.03981	2.6
159.04488	5.2
161.02443	14.6
161.06059	1.6
163.04010	9.3
165.01965	1.7
173.02393	1.3
175.04080	1.8
177.05618	2.0
179.03500	33.5
187.04057	1.8
191.03546	4.8
203.07185	2.1
205.05077	3.3
219.02986	25.3
220.03477	1.1
221.04597	1.1
231.03003	2.5
237.49013	1.0
241.05020	1.6
245.08145	4.4
258.13702	4.1
266.05716	1.1
267.06610	7.0
268.07324	1.5
274.13239	2.6
275.01840	1.4
283.09814	3.6
284.11682	4.2
286.13144	4.5
287.14029	36.4
288.14410	1.2
289.07172	23.3
289.15753	1.1
293.03040	58.7
294.03400	2.8
301.15585	10.5
307.82245	0.9
312.11044	4.0
313.11911	3.3
327.13458	5.5
351.42795	1.0
395.16177	3.6
396.16925	8.8
411.19260	100.0
412.19562	6.4
415.13208	1.0
437.17163	7.7
455.18555	15.2
478.80087	1.2
497.19089	1.2
573.22443	2.9
587.19244	5.8
671.37164	1.2
700.91931	1.1
714.89679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68877	1.0
56.84405	1.1
59.01381	3.0
59.86356	1.0
69.08765	1.0
69.94158	1.2
72.99313	2.1
78.87045	1.2
84.99308	5.4
87.00876	24.0
88.01222	1.2
108.02180	4.0
108.67068	1.1
108.69053	1.2
109.02958	25.2
112.98811	100.0
113.99177	1.8
119.05034	1.1
121.02966	1.5
123.04533	1.3
130.99850	8.4
133.02940	6.9
134.03763	2.1
135.04526	47.2
137.02431	4.4
139.00366	3.1
145.02931	1.9
146.03734	13.6
147.04547	10.3
149.00920	36.1
151.04031	1.5
158.03796	1.2
159.04472	9.7
161.02426	13.0
161.06123	1.7
163.04060	7.1
173.02335	1.5
175.04041	2.3
179.03488	29.6
187.04037	2.0
188.03506	8.4
189.04251	2.5
191.03537	4.8
219.02968	20.7
221.13057	1.3
231.03069	2.7
238.56973	1.1
239.03459	1.9
240.04347	2.2
249.03987	1.2
258.13715	1.9
261.12317	1.1
262.18198	1.1
266.05725	1.6
267.06641	11.0
268.07489	6.1
274.13174	7.8
275.01999	1.6
275.13998	3.1
283.09808	10.4
284.11722	3.3
286.13229	4.1
287.13992	30.1
288.14334	1.7
293.03006	47.4
301.15561	4.5
311.04102	2.6
312.11295	2.8
313.11932	18.4
327.13516	4.5
395.16040	5.3
396.16992	9.9
411.19250	95.6
412.19586	5.9
437.17136	23.9
438.17413	1.7
455.18250	77.4
456.18265	6.1
485.12161	1.2
497.19370	6.1
587.18823	14.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.2258
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	7.7
60.01711	0.7
61.98831	100.0
63.29187	0.3
82.18701	0.3
93.52415	0.3
154.70763	0.3
171.62529	0.3
290.66406	0.3
477.30890	0.3
514.13898	0.3
529.15399	0.5
615.20441	0.5
616.20435	2.2
617.20441	5.7
750.25238	6.4
751.24567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.6
71.01382	1.1
72.99309	4.4
73.99631	0.3
75.00871	100.0
76.01218	0.6
85.02950	0.3
87.00885	0.3
89.02428	1.2
98.21895	0.8
100.91657	0.2
101.02452	0.7
113.02472	0.3
118.26254	0.2
125.02415	0.4
161.04549	0.3
179.05663	0.3
235.08311	0.7
277.21677	2.8
287.07895	0.3
346.28091	0.2
397.13483	5.9
415.14523	2.3
520.51904	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3752
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	42.2
61.98807	4.3
63.40629	2.6
69.03438	2.4
69.78300	7.4
71.01374	25.7
71.05013	2.5
73.02944	2.8
83.01408	2.7
84.39019	2.3
85.02941	4.6
87.00872	6.9
87.89750	2.3
89.02444	22.8
97.02938	2.8
98.22655	3.0
99.00835	3.1
101.02435	20.4
113.02428	13.0
119.03500	6.5
125.02422	8.7
143.03539	4.3
144.33534	2.5
156.70795	2.5
161.04550	4.1
179.05602	4.6
212.71930	2.2
235.08214	10.3
235.17026	16.0
237.68427	2.4
253.09203	2.8
257.25443	2.4
275.20129	18.2
293.21210	68.2
294.21451	3.2
305.08932	4.3
393.18030	13.5
397.13464	100.0
398.13889	3.0
415.14493	38.6
488.55600	2.4
684.29980	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	753.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	7.7
60.32618	2.0
71.01395	3.3
72.99313	6.7
74.20242	1.9
84.99326	2.0
87.00883	18.3
88.50157	2.2
96.95983	2.8
96.99297	2.4
103.00382	4.6
109.02940	5.7
111.00945	2.3
112.98801	43.1
115.00357	6.5
117.03469	2.7
117.36776	2.1
119.05022	41.0
121.02943	3.0
122.23601	2.1
130.99873	3.5
133.01411	13.9
133.02972	13.0
133.03876	2.3
134.03659	3.0
135.04526	100.0
137.02446	8.1
145.02946	12.4
147.04526	7.6
148.99699	3.8
149.00905	55.0
151.17052	2.1
159.04492	2.9
161.02451	16.1
161.06102	2.2
163.04012	79.4
171.14589	2.3
175.03970	11.0
177.05630	2.6
179.03506	82.5
180.03824	3.7
191.03508	5.6
203.03484	22.8
215.03464	4.4
219.02986	28.7
231.02924	5.8
275.01956	2.2
277.03516	35.5
293.03006	56.4
295.04578	79.1
296.04800	2.4
311.04010	30.8
473.07108	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	757.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87806	0.6
59.01354	0.8
69.86871	1.6
71.01372	5.0
78.38226	0.6
89.23936	0.7
98.22475	1.3
109.02934	0.7
112.98797	0.8
115.00355	2.3
117.03442	2.1
121.02959	1.2
133.01447	1.2
133.02940	6.7
134.03743	21.7
135.04553	1.2
137.02420	0.8
149.00774	0.8
149.06099	2.5
161.02414	1.2
163.00412	1.1
163.04037	1.2
175.03999	1.5
177.01944	1.3
178.02690	1.4
191.03526	1.1
193.05052	35.7
194.05412	1.2
199.03961	1.1
201.01923	1.2
241.05103	0.9
255.03052	0.7
269.04459	1.1
284.03244	4.9
285.04028	9.7
297.04019	12.7
298.04782	8.8
299.05643	7.9
309.06247	1.6
311.05603	2.4
324.02719	1.0
325.03571	1.7
327.05081	40.4
328.05505	1.8
339.05057	4.7
357.06125	31.1
358.06754	1.5
369.06155	1.6
381.06265	0.9
387.07053	0.9
399.07397	1.0
429.08182	3.9
447.09296	100.0
448.09668	5.5
513.51801	0.7
598.42090	0.9
689.77100	0.7
696.84857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47041	1.1
59.01379	100.0
60.54528	1.0
61.98846	3.2
71.20859	1.8
78.95915	1.3
88.03403	1.3
102.95688	3.6
103.00375	3.3
103.01495	72.3
147.83456	1.3
180.35155	1.0
191.72687	1.0
211.18681	1.1
216.73929	1.2
257.51569	1.0
277.21609	1.7
287.42642	1.1
334.55939	1.3
345.70282	1.1
386.00552	1.1
519.43463	1.2
710.38416	1.4
757.43915	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	761.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76612	0.6
57.03449	8.8
59.01376	0.9
69.11637	3.8
72.99306	1.1
83.01398	2.0
84.99302	5.1
87.00876	18.2
93.03476	0.7
96.96030	1.3
107.05016	0.6
108.32150	0.5
109.02953	5.7
112.98811	100.0
113.99111	1.1
119.05070	0.5
121.02959	1.2
122.03795	0.7
123.04558	1.0
125.02447	90.8
126.02789	1.6
130.99866	6.7
133.02957	3.1
134.03754	0.9
135.04524	19.1
137.02467	2.9
139.03966	0.6
145.02956	4.6
146.03725	0.8
147.04529	2.0
149.00922	5.8
149.02443	1.6
149.06116	1.6
149.09718	0.6
150.03235	1.5
151.04034	1.9
159.04573	1.7
161.02440	18.2
161.03705	1.1
163.00346	0.8
163.04042	1.9
164.01176	2.5
165.01889	2.0
169.06548	0.5
175.04034	4.7
177.01912	6.1
177.05577	2.6
178.02707	0.9
179.03467	6.8
185.06082	0.8
187.04041	2.3
189.01941	0.6
190.02673	0.8
191.03539	2.0
197.06029	0.7
202.99963	1.1
203.03470	0.7
205.05092	1.4
206.94337	0.6
207.93794	0.5
213.05496	1.0
213.53918	0.5
215.07205	0.7
217.05035	1.2
219.02985	4.7
221.04599	3.7
225.05609	0.7
231.02948	1.6
241.05220	0.6
243.06647	0.9
249.04028	1.0
257.08228	0.7
269.04553	0.9
271.06143	7.6
283.06174	2.2
287.05624	7.8
293.03040	10.8
297.04053	1.4
297.07700	2.6
300.38156	0.6
301.07056	1.3
313.07202	1.6
323.05432	0.9
327.05017	0.7
339.05121	0.7
357.06219	1.1
405.09967	0.8
416.27240	0.6
423.10861	33.1
424.11270	2.3
428.02524	0.5
449.08725	6.9
450.09476	0.9
467.10001	1.7
509.10864	6.1
599.10431	21.5
600.10901	2.0
649.70563	0.5
698.96295	0.7
732.51355	0.6
776.16296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12667	0.8
59.01379	100.0
61.38588	0.7
61.98836	1.9
62.99153	0.7
64.23795	0.7
69.86926	2.8
83.97269	0.7
90.97407	0.7
98.21915	1.4
103.01496	70.7
183.56296	0.9
233.49435	0.7
462.94421	0.8
599.21722	2.3
617.79388	0.8
717.24579	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	761.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.19936	0.1
66.33354	0.2
66.95926	2.6
67.53899	0.2
67.54257	0.1
80.79439	0.2
80.91683	1.4
82.95417	100.0
83.02509	1.6
89.05029	0.2
112.98840	0.2
115.89795	0.2
181.04970	0.2
264.02881	0.2
334.50500	0.2
428.11453	0.2
540.75494	0.2
602.41510	0.2
677.50171	0.2
706.01178	0.2
761.45624	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.7
72.99301	3.1
84.99307	5.6
87.00876	20.7
94.31812	1.6
94.35979	1.4
108.02160	2.0
109.02203	3.1
109.02952	45.4
111.00883	2.4
112.98817	100.0
130.99861	5.8
133.03003	8.0
134.03725	2.7
135.04530	72.7
136.04852	2.9
137.02458	5.1
139.00394	4.5
145.02995	2.1
149.00922	31.5
154.80962	1.4
157.90738	1.3
158.03728	1.4
159.04494	4.1
161.02438	19.5
162.02745	2.2
163.04047	8.7
173.04855	2.3
175.04019	1.6
179.03499	51.7
180.03810	2.5
187.04120	1.6
190.05295	1.8
191.03479	9.1
199.02774	4.3
201.04341	10.5
202.05093	43.6
203.05255	1.9
205.05072	2.5
216.06671	17.4
217.06984	1.9
219.02971	29.6
220.03281	2.6
227.02196	4.9
228.02856	2.9
231.02985	3.3
240.04034	1.9
241.05020	1.6
242.04587	6.2
267.06641	8.3
268.07288	2.0
275.01715	2.3
293.03006	69.9
294.03339	4.8
298.09641	2.9
309.06509	2.5
310.07101	3.1
311.04025	7.8
311.07941	13.0
312.08575	1.5
324.08963	1.9
326.10315	64.1
327.10452	4.6
341.11493	8.9
352.08154	3.3
372.25342	1.4
408.14529	50.6
408.19894	3.1
409.14786	6.7
425.17148	28.8
426.17807	2.5
434.24838	1.4
451.15121	17.4
451.40521	1.7
453.16251	1.5
469.16074	9.9
506.60260	1.6
601.16809	7.8
605.51428	1.4
637.99237	1.5
711.52374	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	765.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.4
62.42450	1.1
64.03883	0.9
68.99792	1.6
70.59499	1.6
72.99305	2.3
84.99313	4.4
87.00887	16.9
105.01929	2.1
107.05028	1.1
108.02186	3.9
109.02955	48.4
112.98814	76.0
130.99850	5.0
133.02917	4.7
134.03773	2.1
135.04526	60.2
136.04874	1.7
137.02434	3.1
139.00352	4.3
149.00925	20.0
159.04471	5.3
161.02434	16.1
163.04030	6.0
173.02330	1.4
179.03494	41.3
180.03778	2.1
187.03957	2.1
189.56693	1.1
191.03490	5.9
200.07135	1.4
202.04993	2.4
205.05115	2.7
219.02968	23.8
231.02921	4.0
240.04199	1.3
241.04942	2.2
267.06610	6.9
268.07397	4.3
274.13077	1.1
275.01935	1.4
283.09775	15.5
293.03015	69.7
294.03372	2.3
300.11081	10.1
302.12601	4.8
303.13486	38.8
304.13773	3.3
309.07843	1.5
311.04114	4.5
317.15112	9.4
328.10666	6.8
343.12988	11.7
411.15427	6.7
412.16171	3.0
427.18726	100.0
428.19180	5.5
453.16675	21.4
454.16302	1.8
471.17722	12.8
589.21454	1.5
603.18280	10.5
796.95398	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79220	0.9
57.03453	1.1
59.01368	2.3
61.43694	0.8
69.85697	0.8
72.99312	2.5
84.99310	5.5
87.00879	22.8
103.00387	2.2
108.02179	5.1
109.02956	36.2
112.98812	97.0
113.99136	2.0
119.05000	1.1
121.02948	2.3
122.03708	1.5
123.04494	2.8
125.02454	5.7
130.99873	7.7
133.02937	3.9
134.03729	1.6
135.04533	30.7
136.04890	1.1
137.02460	4.6
139.00374	3.9
145.02927	3.0
146.03745	16.8
147.04530	13.8
149.00917	34.2
151.04070	1.0
153.05472	0.9
158.03725	1.6
159.04510	20.1
161.02452	11.0
161.06076	2.0
163.04068	6.3
173.02458	2.0
174.03206	1.0
174.19690	0.8
175.03906	1.0
177.05508	2.0
179.03494	16.0
179.05031	0.6
180.03891	1.2
187.04131	1.1
188.03554	12.5
189.04263	2.8
191.03484	3.7
196.66368	1.0
201.04225	1.6
202.05016	2.8
205.05127	1.1
217.77315	0.9
219.02995	17.0
222.01927	0.9
227.02139	1.0
228.02925	1.2
231.02930	2.8
239.03444	3.9
240.04285	3.9
243.02975	1.7
265.04846	1.2
266.05634	1.9
267.06671	8.9
268.07379	10.1
275.01828	1.1
283.09756	20.3
284.10120	1.4
285.12476	1.0
287.05621	1.2
289.07202	1.2
290.12781	8.6
291.13492	8.8
293.02982	30.5
301.11694	1.4
302.12759	6.8
303.13486	19.2
304.13901	1.7
309.07214	1.2
310.07114	1.4
311.04053	2.4
317.15121	10.9
318.12140	1.0
328.10587	1.4
329.11414	26.5
393.14679	1.1
397.28693	0.9
411.15518	5.1
412.16269	3.0
427.18713	71.3
428.19070	5.0
437.13507	1.2
438.14246	2.5
440.65045	1.0
453.16681	44.8
454.16919	3.0
471.17728	100.0
472.17969	5.1
513.18811	6.4
603.18280	12.9
604.19208	1.1
746.17303	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51669	0.3
58.56334	0.3
59.01370	1.2
60.02431	0.3
60.99307	18.0
69.61274	0.9
71.01364	0.7
85.00441	0.9
87.00884	4.6
88.00395	1.4
88.01233	0.5
88.98808	100.0
89.02444	42.5
89.99158	0.4
97.02885	0.3
101.02462	0.6
117.45951	0.3
119.03482	0.3
144.76862	0.3
194.55470	0.3
242.93303	0.3
264.57391	0.3
277.21774	1.7
278.22195	0.3
388.56488	0.3
397.13358	3.0
398.13867	0.4
415.14688	1.1
467.24451	0.3
543.48315	0.3
779.65857	0.3
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
57.99687	0.3
59.01373	0.9
60.99307	17.2
61.98831	1.9
64.96278	0.3
71.01376	0.9
78.39427	0.3
85.00429	1.0
87.00886	3.2
88.00406	0.8
88.98808	100.0
89.02443	40.3
89.99123	0.5
90.02742	0.3
101.02431	0.5
113.02361	0.3
116.90249	0.4
159.63771	0.3
203.98108	0.3
277.21744	1.3
286.12738	0.3
334.04248	0.4
356.64194	0.3
397.13538	3.7
415.14545	1.1
541.48462	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.5133
Annotation	Unknow
Peak:m/z	Relative Intensity
82.58487	1.1
83.82993	1.0
84.95126	9.2
85.00437	15.7
85.02963	1.6
86.00713	1.1
87.00876	100.0
88.00396	2.2
90.08726	0.9
98.90326	1.0
141.02519	1.1
177.52263	1.1
197.35121	1.1
236.35864	1.2
253.04622	1.9
268.61981	1.0
281.21149	1.0
479.41086	1.1
590.77258	1.1
677.49481	2.1
765.51501	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	766.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84653	0.6
58.02975	5.8
59.01392	0.8
61.98829	1.3
67.77779	0.6
70.02975	0.9
71.44366	0.7
72.00877	0.7
74.02475	13.0
81.04570	0.6
82.02975	1.5
85.04064	0.6
86.02473	4.3
86.06113	0.8
86.99125	1.7
87.05647	3.7
90.00163	0.9
96.04567	0.8
96.95920	0.6
97.04078	1.6
99.05641	11.4
101.07188	1.8
102.05614	1.6
107.06116	1.0
109.04111	1.4
111.05667	1.2
112.04029	1.3
116.01743	1.1
123.05660	0.9
125.03622	0.8
127.05175	2.1
128.03542	30.3
135.05666	2.6
137.07187	1.0
141.06705	2.9
143.04623	37.5
144.04980	0.7
145.06157	1.4
146.04623	3.3
149.03773	0.6
153.06680	2.6
155.81133	0.6
160.00743	11.7
166.09828	1.8
167.04634	3.7
167.08255	0.9
177.03389	4.2
179.04646	7.1
181.06241	1.6
184.22075	0.5
184.77222	0.6
185.05688	1.6
192.07791	0.9
197.05717	1.3
198.08803	0.7
210.08839	6.4
217.50575	0.6
242.07909	1.0
254.07832	11.9
255.08112	0.7
272.08881	17.8
288.06561	7.2
306.07645	100.0
307.07889	3.2
510.28406	0.7
619.51288	0.7
638.09656	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.25
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54992	3.3
58.02974	6.9
61.98823	14.3
69.28172	19.9
74.02467	12.7
86.02470	4.1
89.69937	3.6
99.05640	11.4
102.05578	3.6
105.16360	3.4
128.03543	31.2
141.06670	3.1
143.04626	41.8
160.00710	9.3
177.03394	5.4
179.04660	8.1
210.08778	7.5
220.27029	3.9
254.07788	7.5
272.08823	17.6
288.06448	7.2
302.03506	3.5
306.07672	100.0
384.57422	4.9
648.04407	3.9
648.52740	3.8
681.30951	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
63.39441	0.4
65.00335	0.5
66.10575	0.4
82.94257	0.4
85.02955	1.0
98.74583	0.4
107.01380	0.6
109.02938	1.6
112.32500	0.4
112.98797	0.6
115.00826	0.4
119.05007	0.6
121.02928	1.0
125.02448	1.6
128.30060	0.5
129.01950	0.8
133.02951	9.4
134.03807	0.9
135.04512	1.5
137.02473	0.8
143.33276	0.5
149.02454	1.0
151.00392	0.6
159.88281	0.5
161.02451	1.9
163.00366	1.7
163.04027	2.0
165.01909	1.4
175.04030	1.8
177.01968	0.9
179.03459	0.8
191.03508	0.9
193.01401	1.4
199.04001	0.7
201.01926	1.1
203.03462	0.9
225.05444	0.6
227.03493	0.6
229.01633	0.5
241.05043	1.3
243.03001	0.7
251.03360	0.5
253.04933	1.1
255.03008	1.1
258.67166	0.5
269.04626	0.8
271.85956	0.5
284.03186	5.7
285.04050	12.1
286.04437	0.9
297.04022	16.9
298.04773	14.5
299.05579	10.7
300.06015	0.6
311.05695	3.8
325.03571	1.4
327.05087	49.4
328.05396	2.5
339.05106	5.8
341.06741	1.2
356.53876	0.5
357.06149	41.6
358.06491	2.5
369.06021	1.7
370.74667	0.4
381.05893	0.5
411.07278	0.6
429.08353	3.9
447.09302	100.0
448.09589	7.0
681.97272	0.5
700.35040	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.3705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.8
60.99306	17.5
61.98826	0.4
71.01388	0.8
81.23246	0.3
82.95387	0.3
85.00444	0.9
87.00871	3.0
88.00384	0.8
88.01196	0.3
88.98806	100.0
89.02441	47.7
89.99149	0.5
90.02782	0.4
148.90944	0.3
173.99265	0.3
223.67876	0.3
233.18637	0.3
269.11292	0.3
278.00607	0.3
278.49005	0.3
279.23264	1.7
280.23788	0.3
397.13443	2.6
415.14502	1.0
641.25720	0.3
713.86450	0.3
767.27411	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99018	0.9
60.99310	15.4
66.72498	0.6
87.00881	7.3
88.00397	1.9
88.01240	1.2
88.98807	100.0
89.02444	58.3
102.42181	0.5
115.08638	0.5
350.78015	0.6
426.41132	0.6
677.49707	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	768.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49065	1.4
57.03445	3.2
65.08723	1.5
66.18842	1.5
71.01360	1.9
87.02005	1.4
99.08162	20.6
123.04527	51.8
127.06803	2.8
127.07658	36.8
128.11311	1.5
129.05592	21.2
131.12260	1.7
153.05568	16.6
161.04568	1.9
171.06647	5.5
215.80048	1.7
285.09714	6.1
289.63412	1.6
306.07385	1.9
343.31110	1.9
457.17172	100.0
458.17261	5.4
671.48724	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	769.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.4
68.99801	0.5
70.61149	1.0
72.99307	4.6
73.45209	0.5
75.00870	0.7
87.00876	13.1
100.57795	0.5
103.00367	3.4
105.01946	1.2
107.04997	1.3
109.02972	2.6
111.00864	0.6
112.98804	10.2
113.33067	0.5
122.55821	0.5
125.02457	0.7
130.99844	2.1
133.01439	1.2
133.02960	2.1
134.03784	3.2
135.04527	65.2
136.04857	1.6
137.02420	0.8
139.00334	1.1
149.00917	100.0
150.01295	1.7
151.04002	1.0
161.02438	4.6
162.91403	0.5
163.04034	3.1
179.03497	80.1
180.03841	2.5
191.03493	2.4
205.05016	0.8
217.31183	0.6
219.02980	9.5
221.67795	0.6
231.02960	1.0
253.08737	1.1
293.03049	21.8
294.03366	0.8
311.04086	80.4
312.04544	3.4
342.13541	0.5
344.61920	0.5
407.71899	0.6
473.07150	3.5
615.05786	0.6
631.13550	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	0.7
65.89677	0.3
67.46702	0.3
69.17508	1.8
71.01379	0.6
77.39427	0.3
84.62309	0.3
89.02444	0.5
93.03477	1.2
121.02953	3.3
121.84256	0.3
130.74234	0.3
135.04521	2.7
137.02373	0.5
149.02448	28.5
150.02759	0.6
151.03960	0.5
152.01157	3.0
163.02655	0.6
163.03990	4.8
164.04794	30.3
165.01935	1.4
165.05177	0.9
167.03517	0.7
169.05110	1.6
179.05679	0.5
179.07129	10.3
180.07426	0.3
180.32159	0.3
191.03654	0.3
193.01414	13.2
208.03772	38.9
209.04143	0.8
223.06122	100.0
224.06499	2.5
282.14493	0.3
351.02930	0.3
385.11392	29.5
386.11600	0.9
473.79813	0.3
770.41315	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61748	1.3
57.53425	1.4
58.92056	1.4
68.99818	16.4
71.01389	1.7
71.43592	1.5
79.15498	1.5
95.01399	3.4
105.03460	2.4
106.08469	1.3
108.02177	1.4
109.02948	3.8
120.02154	1.9
121.03007	2.7
123.00892	15.0
124.01668	1.9
125.02461	8.7
128.03548	2.8
136.01668	16.1
137.02461	9.9
137.99532	1.5
138.03232	35.5
139.03963	4.8
146.69476	1.4
147.00885	2.2
148.01709	3.3
149.02422	5.0
151.00389	3.4
151.04008	22.8
153.01941	10.2
153.05580	39.7
160.01726	2.0
161.02490	1.6
162.03201	4.5
162.88077	1.2
163.00333	4.9
163.04007	1.4
165.01947	13.1
166.02707	14.9
168.04297	14.1
175.00369	13.9
175.04082	2.2
176.01155	34.7
177.01906	18.8
177.05608	2.6
178.02739	12.9
179.03461	4.1
180.04239	5.9
181.05069	16.7
190.02756	1.5
191.03508	34.8
192.04300	47.3
193.01437	33.3
193.05037	20.0
194.02016	2.3
194.05717	2.8
195.06599	2.1
205.05008	2.7
207.06628	58.7
208.03767	44.5
208.06789	2.7
209.04347	4.7
223.06120	92.4
224.06859	13.3
225.07431	1.3
238.04712	1.9
295.56033	1.4
357.09744	2.6
372.12064	5.1
387.14529	10.8
581.20319	7.1
600.06885	1.3
611.21295	100.0
612.21643	12.8
743.26007	1.6
773.26605	55.7
773.37793	2.2
773.71356	2.4
774.27087	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	773.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
56.63592	0.2
57.45136	0.2
59.01372	0.4
61.98835	0.9
69.77787	0.4
69.78166	0.5
71.01373	0.3
78.95906	2.8
79.95735	3.0
90.37887	0.2
94.92498	0.5
96.92194	0.9
96.96014	100.0
96.97000	2.7
98.67095	0.2
116.96687	0.2
118.96628	0.2
136.37454	0.2
144.80159	0.2
152.99615	0.3
166.80751	0.2
201.22739	0.2
277.22015	0.3
361.04230	0.2
397.13535	0.3
415.19543	0.2
435.08310	0.4
447.03140	0.2
453.09308	0.7
495.73007	0.2
582.05536	0.2
687.07721	0.2
713.30414	1.3
773.42499	0.3
791.88708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01358	0.4
61.98832	5.6
71.01399	0.4
78.95905	3.3
79.95731	3.1
94.92513	1.6
96.12302	0.3
96.92227	2.7
96.96014	100.0
96.96899	4.3
98.21865	0.7
118.96627	0.4
128.81213	0.4
171.10440	0.3
181.32935	0.3
188.91528	0.4
242.49995	0.3
277.21536	0.4
361.04605	0.6
397.13531	0.5
435.08212	0.6
453.09384	1.2
674.73083	0.4
705.83295	0.4
713.30548	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	774.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73259	0.5
61.98830	100.0
79.53542	0.5
104.19691	0.4
109.04088	0.6
113.03591	0.8
113.07191	0.7
119.08674	0.5
127.05132	0.5
153.06656	0.7
167.28902	0.5
170.09361	1.3
191.10591	0.4
201.09947	0.8
209.10448	0.7
227.11653	1.3
247.79962	0.5
283.17841	0.6
355.17456	0.9
370.07739	0.6
484.23694	0.6
637.30914	8.6
637.40448	0.6
638.31842	1.0
649.31897	0.9
667.32135	5.7
668.32733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22424	1.1
59.01363	3.4
69.92059	2.7
69.92404	2.1
71.01385	2.3
78.95890	2.7
79.95732	3.1
83.01353	1.2
89.02436	2.9
93.03465	1.3
94.98087	1.7
96.96011	100.0
96.96974	2.5
117.29192	1.1
121.02961	1.8
135.04469	2.0
136.01633	5.1
137.02449	8.1
151.03978	10.3
151.18340	1.1
164.01163	1.8
165.01927	48.5
166.02710	5.8
179.03491	11.4
180.04272	30.3
181.05038	6.9
190.06364	2.9
191.16124	1.2
192.04257	1.4
194.05804	1.8
195.02876	1.2
195.06621	35.9
207.06595	1.6
210.05333	8.2
225.07683	31.3
226.07968	1.8
316.08170	1.1
356.12430	2.1
357.13306	3.3
369.13470	1.4
372.12033	2.2
386.13550	1.9
387.14474	21.1
450.43472	1.2
540.40375	1.6
565.20825	26.7
566.20978	4.1
613.22815	20.6
614.23499	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	775.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.49820	0.2
57.53913	0.2
61.98831	1.4
71.01369	0.5
78.95900	2.4
79.95735	3.4
84.07554	0.2
94.92502	0.6
94.98093	0.2
96.92207	1.1
96.96011	100.0
96.96998	2.5
97.95940	0.3
98.22655	0.5
101.75076	0.2
120.81828	0.2
135.95880	0.2
152.99634	0.3
179.05527	0.2
188.15509	0.2
208.92366	0.2
279.23291	0.5
311.22318	0.4
333.04929	0.2
361.04694	0.3
397.13525	0.4
409.19107	0.4
435.08173	0.6
445.61948	0.2
453.09250	1.3
458.61243	0.2
715.32373	1.4
716.32666	0.3
751.06647	0.2
775.44263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	37.5
61.98820	0.8
70.66409	1.2
71.01387	18.1
73.02947	1.2
74.60201	0.8
83.01369	1.1
85.02950	3.2
89.02444	21.5
95.01389	1.0
99.00898	3.0
101.02439	14.4
113.02460	5.9
119.03536	6.5
126.55366	0.9
131.03529	1.1
148.80421	0.8
149.04536	4.1
162.83919	1.5
168.67848	0.8
202.88757	0.9
301.21713	1.4
308.12344	0.9
481.28082	100.0
482.28540	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
57.80434	0.1
59.01368	0.2
71.01395	0.1
72.10700	0.1
78.95904	4.6
79.95737	3.1
89.02435	0.2
94.98092	0.4
95.97625	0.2
96.96012	100.0
96.96909	7.5
97.95917	0.2
162.22768	0.2
165.01929	0.5
179.03441	0.2
180.04225	0.2
195.06642	0.2
220.37947	0.1
247.14951	0.1
262.88550	0.1
386.34409	0.1
775.47174	0.4
782.65790	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	776.3491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.2
67.52212	1.2
69.28271	6.5
69.28658	2.9
71.01366	7.9
75.64567	1.4
89.02447	7.9
93.03455	1.5
98.58871	1.3
107.05002	2.3
113.02499	1.3
123.04509	5.8
125.02470	1.7
126.05616	11.2
133.02948	4.4
133.22881	1.7
134.03738	100.0
135.04547	15.6
149.04608	2.5
171.08089	1.8
172.08955	2.9
191.05588	1.7
207.27399	1.2
208.10991	1.5
293.08810	18.4
297.22672	1.6
301.21686	5.0
330.16562	1.3
346.20184	23.6
377.25092	2.5
391.26236	5.9
412.54434	1.4
429.13956	3.4
435.25308	4.0
481.50757	1.4
482.25470	28.1
483.25809	1.7
574.83984	1.4
715.33032	3.4
729.35107	3.5
776.34967	44.6
777.34991	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	776.3498
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69236	0.9
58.10345	0.8
59.01381	5.7
61.98820	2.6
69.81383	1.9
69.81741	2.0
71.01386	5.3
72.34447	0.8
79.04687	1.0
86.44851	0.9
89.02435	6.8
93.03461	2.1
97.02946	0.9
98.21883	1.0
101.02441	1.6
106.04240	1.2
113.02451	1.0
117.66962	0.9
123.04515	4.0
125.02439	3.3
126.05605	12.3
131.03484	1.3
133.02956	3.7
134.03738	100.0
135.04581	12.8
149.04518	2.0
171.08144	1.1
172.08925	1.9
179.03349	0.9
214.09914	1.0
293.08801	13.3
296.88675	1.1
301.21667	3.3
318.56000	1.0
346.20166	20.6
391.26526	5.8
429.13702	2.1
435.25482	5.3
482.25409	33.4
483.25671	1.4
524.65753	1.0
715.33160	2.4
729.34540	4.2
776.34924	43.2
777.35010	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	776.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07581	2.8
56.27385	2.5
59.01372	15.4
61.98837	5.7
69.61693	10.8
71.01392	16.3
79.99790	3.1
85.02924	3.6
89.02434	20.9
96.37738	3.1
96.96015	3.1
98.21915	5.1
107.05016	5.2
117.70367	3.0
125.02473	4.8
126.05590	25.7
131.03465	5.3
133.03030	4.9
134.03740	100.0
134.96777	3.1
135.04517	33.5
149.04630	6.8
170.06841	2.8
276.51807	3.1
285.18784	5.5
293.08792	33.3
300.20889	9.3
301.21780	6.4
346.20212	74.6
347.20663	3.8
391.26303	5.1
429.13919	7.0
468.42484	3.2
482.25369	41.5
483.25851	4.9
559.13251	3.1
570.32983	3.4
776.35052	52.2
777.35199	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	776.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	11.5
61.98820	5.7
64.33524	2.3
65.27370	2.0
65.58661	2.6
69.61842	9.9
71.01383	11.5
85.02943	3.7
89.02443	10.4
98.22647	4.3
101.02443	3.1
104.97792	2.8
107.05028	4.7
123.04485	5.0
125.02434	5.1
126.05612	15.1
131.03456	4.0
133.02927	4.7
134.03735	100.0
135.04553	20.8
149.04552	6.6
172.08878	2.7
185.76468	2.5
283.20529	3.1
293.08783	27.9
300.21069	5.0
301.21725	9.1
325.88583	2.6
346.20184	50.5
377.24628	5.0
391.26410	5.3
435.25400	3.7
482.25525	39.5
643.42181	3.0
729.34900	3.8
776.34698	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	2.5
60.45864	1.0
69.76037	2.5
69.94796	1.1
72.99308	3.5
74.18848	1.1
76.19138	1.5
83.01420	1.3
84.99290	2.4
87.00872	16.1
94.29535	1.0
95.05048	1.3
96.95999	1.3
103.00374	2.5
105.03454	3.2
109.02960	11.9
111.00928	2.1
112.98815	59.4
116.62982	1.0
117.03455	1.3
119.05006	2.8
121.03018	2.0
123.04534	3.0
127.00404	2.1
128.98221	1.4
130.99852	2.7
131.05052	1.1
133.02968	25.3
134.03790	2.2
135.04526	84.1
136.04843	2.4
137.02446	7.3
139.00378	8.3
145.02936	1.8
147.04512	4.4
149.00912	29.2
149.02211	1.7
149.06064	1.3
151.03960	2.3
153.01947	5.4
154.99860	1.6
159.04480	3.1
161.02444	29.6
163.04025	13.5
173.02423	3.2
175.03975	4.8
177.01949	7.7
177.05556	4.2
179.03491	59.5
180.03862	1.5
187.04103	1.8
191.03496	11.1
203.03384	1.1
205.05029	1.8
219.02985	53.1
221.04561	1.8
231.02988	6.7
232.03297	1.1
235.02419	1.1
247.02600	1.3
275.01971	2.7
293.03033	100.0
294.03336	3.6
309.02466	4.7
311.04080	18.9
792.73395	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51020	1.1
58.48576	0.8
59.01376	6.6
68.99829	1.6
71.42155	0.9
72.99310	4.3
76.77763	0.9
77.78691	0.9
84.99330	2.4
87.00866	12.2
89.92516	0.9
93.03485	1.3
94.08329	1.0
103.00370	3.3
107.05005	1.5
109.02958	7.2
111.00923	2.5
112.98808	34.7
117.03432	1.8
119.05027	47.5
120.05333	1.2
121.02959	1.2
127.00438	1.3
130.99873	2.8
131.05016	1.0
133.02927	5.2
134.03787	3.3
135.04521	60.4
136.04842	2.3
137.02475	3.6
139.00385	4.5
139.04063	1.0
143.05037	1.4
145.02953	12.4
147.04497	7.5
149.00900	8.3
149.02562	0.9
151.04030	1.6
159.04468	1.8
161.02444	16.2
161.06032	1.9
162.03157	1.1
163.04007	100.0
164.04373	1.5
173.02498	1.1
175.04031	7.4
175.98854	1.0
177.05606	2.6
179.03493	46.1
180.03825	1.8
187.04008	1.3
189.05438	1.2
191.03468	5.8
203.03500	24.1
205.05113	1.7
215.03503	4.2
219.02972	26.8
221.04532	1.4
231.03009	3.6
233.04500	1.0
259.02405	1.2
275.01865	1.2
275.05243	1.1
277.03510	39.4
278.03790	2.0
293.03024	49.2
294.03348	3.5
295.04575	87.2
296.04944	5.2
311.04144	2.8
320.99225	0.9
327.05130	2.6
328.59689	0.9
357.06079	1.7
447.09186	5.1
448.09335	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98820	1.6
69.57679	3.0
75.00866	1.3
80.07981	0.7
98.21925	1.4
102.95699	2.2
103.00384	2.8
103.01496	71.7
104.01891	0.7
109.95638	0.8
120.79839	0.7
130.56955	0.7
139.07793	0.7
165.28758	0.8
310.84537	0.6
410.60516	0.7
535.01459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98837	1.4
64.12051	0.6
66.15202	0.7
73.99265	0.7
75.00844	0.7
78.95916	1.3
79.21822	0.5
102.95711	1.5
103.00390	3.5
103.01498	75.8
107.50339	0.6
171.10368	0.7
183.98402	0.7
194.49446	0.7
209.50073	0.8
242.66492	0.7
305.14362	0.8
561.16870	0.7
602.86761	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.93172	0.4
71.71083	0.4
79.95712	2.1
86.01735	0.4
96.96010	69.0
115.96008	0.4
168.88828	0.4
186.45297	0.4
220.37920	0.5
259.86478	0.4
265.14777	100.0
266.15085	2.5
336.13513	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41513	0.2
58.69864	0.2
59.01379	100.0
60.01721	0.3
61.98844	0.4
70.62569	0.2
75.00871	0.6
92.28862	0.2
102.95692	0.9
103.00375	2.9
103.01498	77.7
104.01836	0.2
170.16547	0.2
235.93187	0.2
319.49689	0.3
336.60162	0.3
626.92981	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.5193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01712	0.6
65.93271	0.2
75.00874	1.0
78.43375	0.2
78.62441	0.2
89.51257	0.2
103.00490	7.6
103.01494	90.9
103.53860	0.2
104.01839	0.8
107.12482	0.2
135.04520	0.5
148.53882	0.2
306.46552	0.2
405.50757	0.2
677.49335	1.2
678.49945	0.3
739.23553	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	4.2
64.97813	0.3
70.69299	0.5
72.92211	0.4
72.99310	4.5
75.17611	0.3
84.99307	0.7
87.00331	0.7
87.00873	13.9
90.22498	0.4
95.05042	0.5
103.00368	2.8
105.01952	0.8
107.05048	0.8
109.02931	2.2
111.00879	0.4
112.98813	8.5
123.51216	0.3
124.15594	0.4
130.99890	1.9
133.02968	3.1
134.03792	3.3
135.04530	69.3
136.04875	2.1
137.02460	1.2
139.00371	1.5
149.00920	100.0
150.01270	1.6
151.04045	0.4
159.04585	0.4
161.02435	4.9
161.16768	0.4
163.04015	2.5
177.01933	1.4
177.05553	0.6
178.02361	0.8
179.03499	82.0
180.03827	2.7
191.03403	1.9
193.05060	1.1
216.22903	0.4
219.02989	7.0
231.02962	0.9
237.38095	0.4
275.02084	0.5
293.03043	18.3
294.03323	1.5
311.04080	67.1
312.04407	3.2
473.07190	3.7
504.59735	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22703	0.4
56.35066	0.4
59.52852	0.4
61.28012	0.4
61.98823	0.5
75.44402	0.4
94.71632	0.4
98.21881	1.0
108.90179	1.2
117.58385	0.4
120.02161	4.2
121.02956	100.0
122.03283	3.1
127.20804	0.4
141.74065	0.4
165.01962	2.4
181.06558	2.6
191.03561	2.2
209.04541	67.4
210.04869	2.7
225.05566	2.6
313.07123	4.7
318.14828	0.5
357.06033	1.9
401.08771	10.7
402.08997	0.6
438.21341	0.4
517.62848	0.4
532.72437	0.4
549.10681	0.6
575.11298	0.5
741.13641	0.6
785.16589	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3966
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.0
61.98830	10.9
62.56760	9.3
75.31107	7.4
86.35034	8.6
92.57578	8.1
92.92789	10.5
96.95979	12.6
122.09468	8.4
155.97580	8.3
171.93008	7.6
197.11838	81.4
209.11769	17.1
264.97812	8.9
289.32626	9.4
747.52069	10.1
785.39484	100.0
786.39978	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	787.1942
Annotation	Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
57.76094	0.8
61.94636	0.7
65.00333	2.0
91.02356	0.7
94.85135	0.8
107.01376	3.4
108.78931	0.7
112.98803	1.0
121.02972	2.9
135.04507	3.4
149.00916	3.3
151.00360	14.8
161.02472	1.2
175.00385	1.4
178.99881	2.1
179.03520	3.0
193.43961	0.8
213.53711	0.8
215.03545	1.1
219.03015	1.2
227.03438	1.7
240.84341	0.8
243.02980	3.0
255.02968	1.3
256.35339	0.7
271.02478	30.7
272.02921	1.4
276.58142	0.9
285.04132	0.9
293.03140	0.9
299.01956	62.0
300.02719	24.0
301.03525	87.4
302.03940	4.1
313.03308	1.3
343.04523	2.5
403.40909	0.8
462.08060	19.1
463.08817	72.5
464.09259	3.4
625.14081	100.0
626.14368	5.8
637.10382	1.0
676.68842	1.0
787.19818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.262
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	0.1
59.63906	0.1
61.98831	100.0
69.68812	0.2
99.08181	0.3
123.04507	0.5
124.04891	0.2
127.07693	0.3
128.08023	0.1
129.05594	0.2
153.05614	0.2
184.64572	0.1
194.25354	0.1
217.69551	0.1
457.17081	0.8
458.17700	0.3
459.17841	0.2
460.18152	0.3
477.87326	0.1
788.26581	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	789.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33817	0.4
59.01381	5.7
60.55107	0.5
61.98832	11.1
64.79584	0.5
69.52657	2.0
71.01352	1.0
73.02921	2.1
73.29987	0.6
73.77676	0.5
78.03492	0.7
88.03213	0.5
89.02427	0.7
92.05036	2.3
92.60206	0.5
94.06617	3.8
96.89188	0.5
101.02434	1.2
103.04356	0.5
104.05057	2.4
105.03462	2.7
106.06622	11.2
107.03758	1.0
108.04536	1.5
113.02441	0.6
113.38574	0.5
120.04536	5.0
121.05372	1.0
122.06120	14.0
123.03249	1.6
124.07662	0.9
131.03778	0.8
132.04562	7.1
138.05611	21.0
148.04025	0.7
150.05627	3.5
161.04500	0.7
166.05133	1.1
174.12762	0.6
184.11137	0.6
184.16605	0.5
189.08014	1.1
214.07303	0.6
215.11894	1.6
216.10065	0.6
217.07440	2.6
229.09862	0.9
231.08994	0.7
231.11461	0.7
241.09831	3.6
243.11377	3.0
259.10864	0.9
259.66055	0.5
271.10953	1.4
289.11942	100.0
290.12314	3.1
295.65945	0.6
333.10916	81.6
334.11234	2.3
397.67761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.432
Annotation	Unknow
Peak:m/z	Relative Intensity
63.96249	0.4
64.97016	0.4
69.07617	2.1
73.06905	0.4
79.95738	19.8
80.96089	0.6
80.96519	8.7
81.03441	2.1
83.05010	0.8
84.65970	0.4
88.97037	6.2
94.98076	1.4
96.95966	0.4
98.22604	0.9
99.04494	1.0
111.73659	0.4
123.46700	0.4
127.04044	0.9
160.99155	0.6
161.99956	0.5
163.00713	0.9
176.95041	0.5
177.02284	4.0
189.99458	0.6
191.00157	1.0
203.49599	0.4
221.01253	100.0
222.01521	2.1
233.04927	0.5
327.39233	0.4
337.09637	66.8
338.09967	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	793.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
61.98826	0.4
63.33181	0.2
63.72029	0.2
68.04174	0.2
71.01389	0.2
72.86892	0.2
73.02948	1.4
75.00864	1.7
77.61414	0.2
87.00923	0.2
99.00861	1.4
99.92586	10.8
100.92597	0.2
114.93420	0.6
116.92863	100.0
116.97254	6.3
117.01941	3.1
117.05499	0.2
117.92873	2.8
130.20251	0.2
246.49481	0.2
277.21786	0.3
335.17697	0.5
342.04626	0.2
397.13809	0.3
421.84012	0.2
456.52386	0.2
507.86935	0.2
543.58850	0.2
548.00507	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.3
59.01380	2.0
71.01380	0.6
71.43523	0.3
72.99314	0.2
73.02943	5.4
74.02477	0.2
75.00871	7.5
75.64115	0.2
87.00874	0.6
87.99453	0.2
89.02452	0.5
91.25299	0.2
96.49326	0.2
96.56464	0.2
99.00880	5.2
99.92585	10.8
100.92601	0.2
114.93379	0.5
115.00354	0.5
115.99925	0.2
116.03541	0.8
116.04332	0.2
116.92863	100.0
116.97235	0.6
117.01939	12.8
117.05576	0.4
117.92868	3.1
234.76750	0.2
277.21494	0.4
307.09750	0.2
397.13635	1.3
415.14554	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4382
Annotation	A 77003
Peak:m/z	Relative Intensity
57.03436	1.8
59.01380	28.4
61.98829	1.9
67.67741	1.4
71.01383	23.4
72.53395	1.2
75.00867	9.4
78.95893	3.1
85.02957	9.1
85.48843	1.4
86.47318	1.2
89.02451	8.8
95.01379	4.0
96.96039	1.7
99.00874	13.0
101.02438	8.3
108.19366	1.6
113.02424	6.6
119.03477	1.7
125.09451	1.3
131.03456	1.4
139.75392	1.3
143.25908	1.4
157.01375	1.7
158.68588	1.4
343.11438	1.3
453.33447	2.7
455.35208	4.1
538.22681	1.5
550.74066	1.5
569.38135	3.6
613.37372	7.1
626.03015	1.4
649.57635	1.4
793.43768	100.0
794.43805	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	795.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	42.0
60.01702	0.3
69.03447	0.3
71.01383	0.9
73.02962	0.5
83.79996	0.2
85.02950	0.7
85.06585	10.7
89.02431	0.7
91.22165	0.3
97.24194	0.3
97.24848	0.3
101.02483	0.4
113.06087	16.2
117.03465	0.8
119.03561	0.3
121.82674	0.2
131.07143	100.0
132.07469	2.3
173.08183	57.1
174.08527	1.5
175.00381	0.9
217.07079	0.4
269.04529	1.1
281.04510	1.4
282.05246	1.6
283.06042	1.6
293.04568	13.6
294.04916	1.3
295.06223	0.5
311.05490	2.2
323.05707	1.5
335.05478	0.5
337.28296	0.3
339.05359	0.3
341.06564	1.6
353.06598	0.4
413.08640	2.9
457.11392	0.7
577.15594	28.8
578.15991	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	795.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.7
71.44692	0.2
72.98296	0.1
73.02625	0.2
73.02956	1.9
75.00867	2.1
79.21622	0.2
89.02419	0.2
99.00857	1.5
99.92584	11.0
100.92597	0.4
112.35677	0.2
114.93406	0.5
115.03966	0.2
116.03548	0.2
116.92859	100.0
116.97243	3.7
117.01939	4.2
117.92870	3.6
271.67535	0.2
279.23285	0.2
337.19009	0.5
397.13376	0.4
743.27289	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	100.0
61.98833	1.6
63.08006	0.8
71.01404	1.7
71.43362	0.8
78.41206	0.7
82.95450	1.0
85.00454	0.7
89.02454	2.2
96.99319	1.6
101.02480	1.7
103.68330	0.8
113.02463	1.0
114.93375	0.8
121.98506	0.9
141.01701	54.9
243.04849	0.9
255.23303	5.9
308.11502	0.8
337.23550	4.7
397.13449	10.9
415.14697	2.0
419.11859	1.7
437.12939	3.3
675.35614	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	795.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.2
70.99821	0.1
73.02941	0.6
75.00869	1.3
84.80091	0.1
99.00858	0.2
99.25043	0.1
99.92584	8.9
100.92619	0.2
114.93427	0.4
115.03971	0.2
116.92863	100.0
116.97237	0.5
117.01936	2.0
117.92873	3.7
206.22330	0.1
450.41611	0.2
454.70468	0.1
559.18207	0.2
713.47528	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.3392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97554	0.2
59.01379	100.0
59.58210	0.2
60.01720	0.8
66.67812	0.3
67.33355	0.2
69.59810	0.5
71.01382	7.5
73.02946	6.6
79.49828	0.2
83.01389	1.9
85.02934	1.8
89.02444	6.3
95.01411	0.5
97.13483	0.2
98.22653	0.4
101.02437	7.5
101.03085	0.4
113.02451	3.7
119.03513	2.3
131.03517	0.5
133.39378	0.3
143.03540	0.8
149.04597	1.1
161.04549	1.8
178.06485	0.2
179.05652	1.1
221.06725	0.3
313.16589	2.9
345.73364	0.2
355.17575	2.4
379.30115	0.3
435.35489	0.3
719.61768	0.2
797.59143	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	74.1
67.12197	2.7
69.49026	6.5
69.49403	7.6
71.01383	27.1
81.94444	3.2
85.02956	9.7
89.02456	22.3
95.01439	3.2
98.22645	6.3
101.02431	16.0
106.06625	9.9
113.02470	7.4
119.03517	4.3
122.06109	4.7
134.06125	59.3
134.50027	3.4
152.07175	10.2
164.10956	3.0
182.72168	3.1
190.81905	3.0
354.12482	7.2
357.14786	5.2
367.09512	4.3
368.14191	6.0
370.15649	13.7
372.80597	2.9
380.10309	4.1
382.11835	13.3
382.16040	4.4
383.12842	9.9
396.13284	4.0
398.15091	55.9
399.15540	5.6
410.15073	25.9
504.21524	4.3
517.22699	5.6
684.28040	4.9
725.28235	100.0
726.28619	9.7
757.30774	28.9
769.27094	23.1
801.29889	75.7
802.30573	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	803.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	31.7
69.43043	12.0
71.01379	16.0
85.87725	3.3
89.02466	6.2
94.71880	2.8
101.02431	3.4
106.06641	5.8
113.02487	5.4
119.03512	3.1
122.06124	8.2
125.02409	5.0
132.04572	3.8
132.32893	3.0
134.06128	20.9
160.06447	3.5
174.05557	2.9
180.70064	2.8
190.05009	3.4
213.10364	17.4
233.72420	3.0
239.11926	7.3
241.13441	6.3
278.10645	3.2
285.12451	22.1
324.76596	3.1
358.15387	6.8
397.13889	3.2
399.15604	4.3
400.16623	7.6
412.16647	6.6
450.30670	2.9
455.99738	3.1
727.29498	3.6
734.10577	3.3
771.28839	100.0
772.28546	15.6
803.31433	25.3
804.31396	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	803.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39091	2.7
59.01362	8.7
61.98827	8.1
65.06762	3.3
68.67597	3.4
69.03443	5.9
69.50414	10.9
71.01395	3.9
71.32262	2.8
73.08590	2.8
74.28495	4.3
79.71514	3.1
81.10662	2.7
91.37730	3.2
117.18261	3.2
125.09756	4.8
127.80860	2.7
148.35420	3.3
161.09654	3.7
163.11359	3.1
179.10780	6.3
183.75865	3.3
185.11772	3.7
191.14383	3.0
197.11819	47.2
243.88867	3.9
245.19003	5.8
289.18069	10.9
307.19052	6.3
308.29474	3.5
311.29837	3.0
427.63211	3.2
749.37653	3.5
767.38629	100.0
769.05078	3.7
776.07770	3.3
803.36835	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	1.6
59.01379	100.0
61.98818	1.4
69.26893	5.9
71.01381	59.1
72.99341	2.5
73.02953	1.6
83.01387	2.2
85.02946	10.1
87.00887	4.2
89.02446	79.9
90.86568	1.2
91.82678	1.2
95.01374	4.9
98.21772	2.1
101.02444	30.3
111.00969	1.7
113.02450	22.3
119.03501	32.4
131.03479	3.5
137.02432	5.6
143.03510	5.4
149.02399	6.6
149.04512	1.5
151.00391	10.6
151.04018	2.2
161.04541	5.3
165.01907	2.6
166.01295	1.6
166.02702	29.1
175.03976	7.3
177.01930	37.8
177.05554	1.4
179.03941	2.1
179.05579	15.7
181.05052	28.1
181.06531	2.2
191.03561	2.5
192.04280	27.1
195.06615	2.3
205.05023	2.5
207.06631	20.9
210.05359	1.6
225.07651	2.5
387.11282	2.3
402.13510	1.5
416.14575	2.4
417.15753	11.0
607.21851	15.6
643.23877	2.2
664.94659	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	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.64060	2.0
62.59094	2.2
109.02971	3.0
122.41576	2.2
136.01711	2.6
136.79712	2.7
137.02437	26.7
138.03290	2.6
150.03181	2.2
151.00323	4.8
151.04037	7.7
152.04756	3.5
153.05536	3.0
164.01173	3.0
165.01936	100.0
165.05490	5.4
166.02715	19.3
172.34859	2.1
173.44775	2.3
176.01199	2.6
178.02643	2.9
179.03499	20.9
180.04291	51.0
181.05075	26.5
192.04335	4.9
194.05855	6.1
195.06633	68.8
205.05061	5.2
208.03731	2.6
210.05325	10.8
220.07547	3.3
223.06154	2.9
225.07710	55.9
226.08032	3.0
371.11279	3.4
416.14160	2.5
417.15552	36.8
595.21783	44.7
643.24060	36.0
644.24042	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	805.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	65.0
65.02886	8.9
69.76475	33.2
98.22605	12.6
99.00905	16.2
153.86436	11.2
197.32164	10.0
216.03514	11.0
225.11385	15.7
238.74789	12.5
245.66959	12.0
461.20551	20.6
769.40247	100.0
805.38013	82.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.3
61.98829	100.0
69.25844	1.2
81.07884	0.2
89.02445	0.4
128.45793	0.2
151.91507	0.2
165.01967	0.8
166.91637	0.2
179.03503	0.3
180.04320	0.3
195.06689	0.5
209.58862	0.3
225.07700	0.4
250.10886	0.3
661.12604	0.2
733.82330	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.8
61.72379	0.4
61.98833	8.1
64.88046	0.4
66.25016	0.4
71.01389	1.3
73.02953	2.6
82.03004	0.6
82.43899	0.4
83.01393	0.5
84.04559	2.8
85.02967	0.8
100.04044	2.3
100.07675	0.5
101.02438	2.2
102.05613	80.2
103.05932	1.1
113.02477	1.1
116.62196	0.4
128.03548	61.7
129.03891	1.2
135.11815	2.1
146.04604	83.9
147.04968	1.0
161.04585	0.6
161.09749	1.8
163.11282	0.8
179.10785	5.4
223.09811	1.2
264.16064	2.0
290.13998	1.2
308.15054	12.0
309.15594	0.7
334.12943	1.1
352.14023	100.0
353.14395	4.6
660.53058	0.5
678.38098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	0.7
59.01371	0.4
60.07800	0.3
70.74047	0.5
74.94440	0.3
85.00447	0.2
97.06587	0.7
101.02492	0.3
125.09746	2.2
127.07642	0.3
141.12857	0.6
149.09705	1.2
151.11212	0.3
180.15219	0.3
185.11827	6.2
186.12170	0.3
195.94148	0.3
197.11783	1.6
240.64233	0.3
249.22217	0.8
253.09355	0.4
275.20432	0.3
279.23294	5.6
280.23517	0.3
293.21222	100.0
294.21500	5.1
516.93274	0.3
543.92700	0.3
821.08624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
58.56136	0.2
59.01380	10.7
59.24555	0.3
69.26163	1.4
71.01382	5.1
71.01768	0.3
73.02947	0.5
85.02956	1.7
88.68297	0.3
89.02448	4.2
94.04253	0.2
95.01385	0.7
97.02955	0.6
98.22631	0.5
101.02430	1.6
107.08657	0.9
109.06591	0.3
111.04520	1.2
113.02442	2.7
119.03511	1.0
120.05834	0.3
133.10231	1.2
135.08150	2.6
149.09753	0.3
153.09210	65.7
154.09554	1.4
161.04552	0.3
167.10815	0.7
177.09261	0.3
179.05667	0.4
179.07138	0.7
188.89566	0.2
195.10274	0.9
197.08182	100.0
198.08524	2.7
201.72182	0.2
226.33786	0.3
239.09265	0.5
240.45726	0.2
269.72061	0.2
299.11539	0.4
331.53104	0.2
359.13467	31.1
360.13776	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	815.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03225	0.8
69.87516	3.2
70.59757	0.9
75.42947	0.8
79.83507	0.8
96.96011	32.2
103.79286	0.9
109.02941	1.8
121.02941	1.3
133.02963	5.4
135.04521	4.3
161.02443	1.1
163.04042	0.9
165.01903	2.1
175.03984	1.6
176.53152	0.8
179.03622	0.9
184.00984	1.0
229.05144	0.9
240.04529	1.1
243.03024	0.9
281.04575	1.0
285.04031	3.7
297.04086	4.6
298.04739	3.7
299.05591	38.9
300.05801	1.9
309.04056	1.3
311.05597	2.5
325.03351	1.5
327.05096	98.4
328.05295	4.9
330.03839	1.4
332.01324	0.9
334.33801	0.9
337.03165	1.0
339.05075	7.6
357.06119	28.6
358.06610	2.5
369.05853	2.3
399.06876	1.0
429.08093	2.4
433.76953	1.0
447.09296	78.1
448.09808	4.5
527.05005	100.0
528.05353	6.0
582.98346	1.1
646.07953	0.9
779.98767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	45.2
69.60207	1.8
70.91533	3.0
71.01385	14.3
73.02941	14.9
83.01383	4.4
85.02949	5.3
86.51054	1.8
89.02452	8.9
98.40730	1.7
101.02453	11.9
113.02453	7.7
119.03486	2.8
139.53075	2.1
201.85048	1.8
294.99445	2.6
443.55872	1.9
481.28448	4.0
490.66101	2.0
505.27985	2.1
523.29102	100.0
524.29913	4.3
565.29663	2.3
607.99109	2.1
755.44556	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	816.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
71.01349	2.9
86.53116	1.8
180.48483	1.7
235.08029	3.5
253.09161	3.7
253.54128	2.1
277.21704	100.0
278.22040	3.8
377.01010	2.5
378.59845	2.0
582.40637	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	817.1293
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35958	5.1
96.96006	27.7
109.02969	1.3
121.03021	1.4
133.02975	5.5
135.04532	2.6
163.03932	1.5
164.83038	1.1
165.01936	1.9
175.04002	1.1
177.01949	1.1
191.87555	0.9
195.11559	1.1
198.99243	1.3
213.05531	1.4
255.06602	1.5
285.03955	3.2
297.04016	6.7
298.04785	3.1
299.05573	38.8
299.08984	1.9
300.05896	2.0
309.03918	1.2
311.05579	2.7
327.05075	94.6
328.05441	4.0
330.03885	1.8
339.05161	6.6
357.06146	26.7
358.06079	1.5
369.06372	2.3
382.40063	1.0
429.08191	1.9
440.53494	1.0
447.09296	72.5
448.09573	3.3
449.10339	1.1
527.04980	100.0
528.05402	4.0
529.04962	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	817.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	100.0
61.98830	2.5
69.66557	1.9
71.01387	2.4
82.95410	0.8
89.02464	2.2
96.99362	1.1
101.02446	1.9
102.28324	0.5
113.02528	0.9
114.21463	0.5
125.02425	0.8
141.01698	51.5
161.04597	0.7
162.87047	0.6
179.05612	0.8
197.11813	0.7
235.08356	1.0
243.04915	0.6
277.21738	6.0
296.00742	0.6
358.83197	0.7
359.22083	4.8
397.13437	10.9
397.18112	0.9
406.23184	0.6
415.14868	2.0
419.11914	2.6
437.12973	3.2
651.25079	1.3
675.36102	0.8
681.25641	0.7
697.34314	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	817.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	100.0
61.98841	1.8
64.19803	0.8
66.23585	0.8
70.49752	0.9
71.01376	2.4
71.43194	0.9
78.05756	0.9
78.95908	1.8
84.26548	0.9
87.00880	1.0
88.48152	0.8
89.02445	2.4
96.99293	1.5
101.02433	1.3
111.73701	0.8
125.02497	1.0
141.01703	60.2
152.99512	1.0
172.06966	0.9
177.30898	1.0
217.00241	1.4
277.21671	6.0
359.22034	4.3
361.19638	1.0
397.13513	10.7
415.14471	2.5
419.11395	2.5
437.12680	3.5
697.33771	2.1
784.41370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.5096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.6
60.36979	0.3
63.33202	0.3
69.10341	2.0
81.20283	0.3
83.05030	0.5
89.02485	0.5
98.21709	0.3
101.02455	0.5
104.65912	0.3
107.85059	0.2
137.55247	0.3
243.17456	0.6
253.09245	2.1
259.20660	1.5
267.03989	0.3
277.21722	12.5
278.22028	0.9
281.20746	0.3
302.22107	0.3
303.19647	100.0
304.20010	5.6
715.93390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.0
61.98814	2.0
69.20989	4.1
69.21396	1.6
73.96500	1.2
82.06627	2.5
87.05633	5.1
91.89283	1.0
96.62585	1.1
112.07674	1.5
117.30997	1.2
127.08715	1.4
129.10364	13.9
130.08734	1.8
139.08786	2.9
140.07181	2.8
146.06129	1.7
155.08278	5.2
155.11855	1.8
164.09552	3.8
165.10339	4.5
167.08206	1.2
182.12927	2.2
183.11430	1.9
197.16559	2.6
200.14063	3.4
207.15063	13.0
223.11958	1.4
224.17679	4.0
225.16106	3.4
241.13382	2.0
242.11954	1.9
242.18709	9.2
259.14505	2.9
276.17236	1.4
295.21344	5.6
302.47311	1.3
312.17242	1.7
313.22354	3.4
330.18103	1.7
337.25955	3.9
347.20804	2.2
355.27075	3.9
371.24756	1.2
380.54977	1.2
389.25354	1.2
443.26364	1.2
539.39453	3.1
573.37665	2.3
782.51825	100.0
783.52100	13.5
818.49493	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	819.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
70.05042	2.3
70.05402	2.2
82.16494	1.0
89.02426	1.1
101.06013	1.0
120.04546	1.5
121.05324	3.0
122.06087	6.8
128.95461	1.1
134.06145	4.0
135.06836	1.1
136.07675	12.1
149.93375	1.1
160.84268	1.3
190.05070	4.3
198.09247	1.6
214.12399	11.1
228.09135	1.6
229.09810	4.0
230.11871	5.1
230.96822	1.1
241.09810	5.6
242.10626	15.5
257.12964	83.9
258.13281	2.5
301.11929	100.0
302.12296	2.1
319.36945	1.4
517.18298	22.9
534.46637	1.1
649.97296	1.4
670.25922	1.5
724.17462	1.2
734.16461	1.4
745.27777	1.5
819.30878	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	819.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72817	0.7
58.43999	0.8
59.01385	3.8
60.41778	0.8
71.01407	0.7
79.05577	1.0
89.02477	1.8
96.95976	0.7
101.02426	1.0
120.04542	2.6
121.05384	1.7
122.06126	6.1
134.06108	3.9
135.06851	1.3
136.07686	10.5
143.60609	0.8
152.07130	0.9
158.02431	0.8
161.07236	1.2
162.05646	1.1
171.11800	2.3
190.05135	5.6
198.09247	2.5
199.09976	1.8
214.12392	11.9
227.08258	4.0
228.08977	1.2
229.09813	3.0
230.11879	3.9
241.09865	6.5
242.10600	14.8
257.12958	77.9
258.13306	2.9
263.68274	0.8
301.11929	100.0
302.12283	4.4
314.12567	1.0
337.12085	1.1
387.10733	0.8
517.10516	1.4
517.18286	25.5
518.18744	1.7
639.20886	1.8
819.30713	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.16172	0.3
59.01118	0.4
59.01378	3.8
67.01878	0.9
69.30837	0.5
69.31242	1.1
71.01368	1.0
72.99300	0.2
79.05500	0.6
87.64345	0.3
89.02438	0.8
93.79216	0.2
94.06590	0.2
95.05023	0.5
96.96017	0.3
101.02418	0.8
101.10725	0.3
107.03789	0.4
113.02425	0.6
119.03513	0.3
119.67033	0.3
120.04558	2.5
121.05373	1.9
122.06127	6.0
130.03008	0.4
132.04530	0.5
132.29118	0.3
134.06143	3.0
135.06931	1.3
136.07692	11.1
145.34993	0.2
152.07153	0.4
158.02495	1.2
160.03969	0.4
161.07217	1.0
162.05550	0.5
171.11784	2.0
172.07684	0.4
186.09238	0.6
187.57605	0.3
189.10367	0.4
190.05113	5.5
197.08498	0.3
198.09296	1.6
199.10046	2.0
201.06586	0.3
213.06664	0.3
214.07640	0.6
214.12370	12.8
215.09604	0.3
215.12688	0.4
218.05766	0.3
226.07410	0.8
227.08232	2.0
228.08997	0.7
229.09822	5.4
230.09796	0.5
230.11847	4.5
239.11923	0.4
241.09819	6.5
242.10602	16.0
243.10817	0.6
256.12125	0.4
257.12955	83.6
258.13220	1.6
283.10867	0.7
300.11102	0.6
301.11929	100.0
302.12271	1.9
309.08606	0.3
314.12442	0.4
323.10217	0.3
337.12018	1.7
396.22385	0.3
479.54196	0.3
517.18280	21.4
518.18762	1.3
743.29132	0.4
775.31708	0.8
787.28186	1.0
819.31177	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	819.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	9.9
68.32719	0.6
69.31333	1.6
69.31730	0.8
71.01385	9.9
73.02934	3.1
73.18362	0.6
80.23886	0.5
83.01379	0.7
85.02951	3.5
86.00097	0.6
87.00874	1.8
89.02440	10.0
98.21844	1.2
101.02444	10.7
106.82811	0.6
112.94259	0.5
113.02450	7.1
119.03477	4.0
122.06125	1.1
125.02488	0.9
125.06132	1.2
129.01816	0.6
131.03497	5.8
135.04532	0.9
136.05338	0.5
143.03528	0.9
150.06856	1.6
161.04550	5.9
165.09273	0.9
179.05615	13.6
187.11314	1.4
191.05592	4.8
195.67392	0.5
214.12430	0.9
217.15892	0.6
221.06657	13.8
227.14406	1.1
230.13077	1.1
239.18060	0.6
245.15450	12.9
246.15846	0.6
255.17552	1.9
257.12943	4.9
257.15283	0.7
263.07700	22.5
264.08105	0.9
271.13394	11.7
283.17017	0.8
289.14453	20.4
290.14807	1.3
293.08795	12.7
294.09521	0.8
299.16357	0.7
301.11948	4.5
309.15033	1.1
311.09851	8.9
327.16003	4.6
345.17053	100.0
346.17374	7.6
353.10873	38.1
354.11200	2.0
363.18091	1.5
383.11868	6.1
413.12903	6.2
455.14053	0.9
473.14987	2.8
495.36972	1.8
516.98114	0.5
517.18469	1.3
526.97552	0.5
657.42316	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	100.0
60.01715	0.4
69.39542	1.1
71.01384	2.2
80.36990	0.5
80.79719	0.4
89.02465	1.5
95.01477	0.5
96.99316	5.7
97.02995	0.7
101.02457	1.5
113.02470	0.8
125.02483	0.8
130.84064	0.4
132.40298	0.5
140.98309	1.4
141.01700	53.2
142.02071	0.8
161.04562	0.5
235.08252	0.8
243.04913	0.8
263.20392	0.4
279.23282	6.8
279.25723	0.5
339.60913	0.4
361.23615	4.8
362.23999	0.5
397.13446	9.4
397.18057	0.7
398.14197	0.6
415.14340	2.0
416.15298	0.5
419.11804	2.1
437.12793	3.6
512.36194	0.5
570.31683	0.5
645.00067	0.5
677.37665	1.3
699.34924	3.8
699.92889	0.5
763.36536	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.5213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62469	0.4
59.01379	100.0
60.01715	0.6
67.27444	0.4
74.17381	0.5
81.03450	0.5
83.05050	1.1
96.99326	0.9
112.91704	0.5
138.03156	0.6
138.91924	0.5
141.01704	71.9
153.62704	0.5
157.42116	0.5
163.81908	0.5
166.02750	0.6
181.05103	0.6
207.06615	0.6
223.06104	1.1
225.16106	1.3
257.12906	2.4
258.30151	0.5
275.18350	0.4
301.11932	2.8
314.02032	0.5
326.06329	0.5
486.85553	0.6
517.18109	1.1
552.48706	0.5
657.22357	2.4
677.49695	16.2
678.49823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	32.4
61.85501	2.4
69.61376	4.1
69.61729	9.9
71.01392	14.9
85.02930	3.5
89.02444	12.3
96.64124	3.0
98.22560	5.2
98.36842	2.8
101.02430	8.5
106.06614	5.6
119.03458	3.2
122.06109	7.8
134.06116	27.1
136.07681	4.9
152.07152	8.2
160.20288	2.7
188.07169	7.7
205.89171	2.6
210.98540	2.7
213.87978	2.6
225.10284	3.2
239.12001	4.2
251.08220	2.9
251.11928	6.5
253.09758	8.3
264.08975	4.8
265.09720	5.9
267.11411	7.8
277.09772	5.6
278.10294	4.5
279.07840	7.1
279.11230	6.2
292.08575	4.8
293.09241	9.4
295.10870	10.6
307.10992	13.8
321.08887	9.9
323.10315	3.6
333.08658	3.7
339.09857	11.4
351.10043	4.5
420.69153	3.3
486.16614	3.6
561.36285	3.6
620.22406	5.9
638.23383	5.4
648.21631	5.4
666.22955	100.0
667.23328	12.9
698.25562	96.2
699.26044	10.7
701.34088	3.5
771.28253	12.8
789.29169	13.2
803.31238	8.6
821.32129	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	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.4
59.01376	13.6
70.87981	1.0
71.01388	8.6
71.05021	2.2
71.43617	1.8
73.02954	3.1
78.95905	1.2
80.02675	1.8
81.03454	1.8
83.05023	4.4
85.02947	2.1
89.02426	6.7
95.05041	1.8
97.06609	2.9
99.04530	1.8
99.08187	1.6
101.02441	7.3
101.63858	1.2
112.05338	1.2
113.02456	4.4
115.07655	1.3
119.03444	1.6
120.57793	1.0
125.09714	5.8
127.07657	2.7
135.08142	2.7
142.48387	1.1
143.03487	1.0
153.09224	18.5
155.10695	1.1
161.04581	2.3
163.11256	3.3
165.12825	2.2
171.10271	24.7
178.09981	4.0
179.05638	2.2
181.12280	1.6
185.11795	5.6
190.50945	1.1
191.10788	2.1
197.10254	1.7
197.11807	8.5
201.11363	4.1
209.11829	60.0
210.12187	1.8
211.13423	1.2
215.70245	1.4
219.10933	1.1
219.13722	1.8
227.12854	1.1
235.08272	3.1
236.10526	1.4
237.14967	1.8
238.12048	1.9
245.19078	4.1
253.09291	13.5
263.20111	2.5
277.21719	100.0
278.22058	3.4
281.21228	1.3
289.18115	16.7
290.18753	1.2
297.20758	2.3
307.19141	78.5
308.19556	2.4
325.20169	36.9
407.19113	1.6
417.05551	1.0
460.13708	1.2
490.36743	1.2
525.27203	5.8
543.28015	26.5
561.29102	4.6
734.42572	4.1
803.49548	19.0
821.51385	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	823.5553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.6
67.62067	1.3
70.80656	2.0
81.03003	1.4
81.03458	16.1
82.28942	1.1
83.05025	43.5
96.96008	2.5
100.07679	6.8
126.05618	1.4
130.27307	1.1
199.18135	8.1
225.16109	5.5
243.17076	16.0
246.63506	1.3
269.14993	2.0
353.20712	4.4
451.32718	3.2
469.33932	10.9
579.37445	2.1
695.50739	3.8
823.55438	100.0
824.55792	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	829.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	42.9
64.90127	0.3
66.46741	0.4
69.05614	0.3
69.33177	0.6
69.33576	2.0
70.88718	0.4
71.01393	1.1
72.99305	4.3
73.02925	0.5
77.89025	0.4
85.02958	0.7
89.02473	0.5
99.08328	0.4
103.05550	1.3
117.03497	0.8
119.05025	6.5
127.61692	0.4
147.04529	100.0
148.04883	1.9
150.10626	0.4
165.05577	87.3
166.05910	1.5
173.76207	0.5
175.00410	1.2
190.44458	0.4
207.06625	56.4
208.06960	1.5
265.05197	0.4
269.04483	1.7
277.03513	0.6
281.04568	0.9
282.05325	1.8
283.06064	1.1
293.04550	13.5
294.05002	0.8
295.06082	0.5
311.05588	2.3
314.04010	0.4
323.05548	1.2
335.05576	0.6
341.06561	1.5
413.08887	2.6
418.15604	0.4
457.11365	0.6
577.15582	21.1
578.16058	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	829.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.5
59.01378	100.0
59.55473	0.3
69.03461	1.5
71.01381	28.1
71.44191	0.6
72.99302	0.6
73.02946	71.6
75.00881	0.9
77.39484	0.4
81.03462	0.8
83.01386	16.6
85.02953	4.1
87.00861	0.9
88.49986	0.4
89.01930	0.6
89.02444	8.6
95.01378	1.6
97.02940	0.9
99.00860	0.5
101.02445	44.9
113.02454	16.8
116.92828	0.5
119.03510	6.0
125.02406	1.6
131.03516	4.6
143.03488	5.7
147.02992	0.6
149.04555	9.4
153.83861	0.4
155.03490	1.2
161.04556	17.3
170.98528	0.3
171.20178	0.3
189.12752	1.4
203.05652	2.5
219.21559	0.4
221.06686	5.7
325.78305	0.4
373.18750	4.4
663.00623	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.57848	1.2
61.98811	1.7
66.42882	1.2
69.14645	6.4
77.53054	1.2
176.21454	1.2
195.98782	1.1
271.20706	2.7
287.20236	3.9
299.20090	7.2
317.21210	100.0
318.21524	4.3
517.61707	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.3
74.39006	0.6
79.06749	0.7
94.92510	1.3
97.96082	0.6
116.92872	3.3
147.78708	0.7
195.96547	0.7
228.01042	0.6
269.19403	0.8
271.20676	4.0
299.20163	6.9
317.21207	100.0
318.21439	4.5
391.24036	0.9
769.71075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	45.5
61.98819	10.3
70.59002	11.8
71.01386	15.9
78.32838	6.8
89.02441	19.6
101.02412	13.5
106.06647	10.0
119.03479	6.2
134.06140	37.4
147.72150	6.4
152.07208	8.7
152.47113	5.9
155.43774	6.7
233.91705	6.8
238.25502	7.0
241.09874	13.2
263.08224	8.3
265.09848	19.4
277.09888	8.0
278.06931	13.6
293.09305	100.0
305.09259	19.6
315.13623	14.7
337.08124	12.2
384.13602	7.8
398.15009	10.2
440.15982	9.1
517.18005	10.7
620.22522	16.7
664.22015	39.6
679.23584	19.7
696.23889	14.7
711.25812	10.1
725.28314	25.3
801.29718	80.2
802.30145	9.7
833.32086	41.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.2
61.98824	5.8
71.01380	14.7
73.15567	5.3
89.02457	8.6
96.96040	6.2
101.02478	6.8
113.02412	9.3
122.06100	8.5
131.31721	4.9
134.06102	24.4
152.07214	7.6
172.35394	5.3
186.03088	5.3
190.45885	5.3
214.88403	6.7
285.12598	10.5
293.09427	9.0
295.10974	6.1
400.16534	5.5
452.50455	6.6
537.53534	6.6
666.23090	27.0
712.26837	11.4
725.60120	5.7
727.30859	6.9
771.28967	46.9
803.31323	100.0
835.34100	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	836.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96503	0.3
61.98829	100.0
71.12714	0.3
88.97287	0.3
97.80841	0.3
98.22636	1.1
154.09456	0.3
180.11238	0.3
228.81677	0.3
246.25243	0.3
251.06883	0.3
573.61566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5452
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03448	5.8
69.57263	4.4
69.57632	2.7
77.85990	1.6
78.95904	5.6
98.21810	2.1
152.46184	1.4
152.99492	1.6
168.81262	1.7
247.20735	2.4
277.21719	56.7
286.38492	1.7
316.19739	1.8
319.22760	100.0
320.23141	2.7
447.33734	1.5
474.26648	3.7
482.55875	1.6
502.29422	54.8
503.29956	5.5
521.39050	1.7
749.39893	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	837.6069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	1.9
66.03481	1.4
71.45025	1.3
82.06639	2.9
82.84367	1.6
109.42120	1.3
112.07731	1.7
129.10358	20.0
130.08745	37.6
139.08765	4.3
140.07198	3.1
154.08791	2.1
164.09518	2.1
171.11458	3.4
180.71228	1.3
182.15536	2.9
197.16565	3.8
199.18152	17.3
207.15019	11.1
208.13492	3.1
218.15561	1.7
224.17741	8.1
225.15990	4.5
225.58150	1.3
232.98669	1.5
242.18753	8.4
243.17053	3.4
246.44037	1.2
266.18781	1.8
277.21671	5.0
283.76025	1.3
309.20825	2.3
312.26593	10.0
337.25995	5.0
355.27048	5.0
379.27100	3.7
397.28088	5.2
425.34772	4.5
469.34354	1.8
569.30438	1.7
737.51343	2.0
837.60706	100.0
838.60736	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	841.2772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	9.2
69.03127	0.2
69.03452	1.0
71.01383	11.0
73.02963	0.9
81.03456	0.4
83.01390	0.8
85.02958	1.7
87.00854	0.3
89.02445	11.9
93.03461	9.6
95.01379	0.4
95.04982	0.2
96.96004	0.3
97.02956	1.4
98.22636	0.3
99.00883	0.2
101.02440	2.7
105.03392	0.2
106.04235	0.4
108.02185	0.4
113.02460	2.2
117.03465	4.4
119.03563	0.5
119.05029	3.9
119.05890	0.2
121.02937	0.2
123.04500	1.6
125.02455	5.3
130.04231	0.3
131.03510	3.5
131.05032	2.4
132.02164	0.9
133.02969	1.4
135.04553	0.6
139.03995	0.3
143.03470	0.6
147.04495	0.7
149.04553	5.4
158.03813	0.3
159.04506	1.8
173.04507	0.3
183.08154	0.6
191.05641	1.8
197.09770	0.2
209.06068	1.8
210.06845	1.0
211.07652	3.7
215.05588	0.2
222.06822	0.4
223.07626	3.8
224.08420	7.2
225.09204	42.4
226.09517	1.1
233.06689	1.3
235.07623	0.7
238.06262	0.4
251.07140	1.9
252.07953	2.4
253.08693	100.0
254.09032	3.0
293.08792	26.5
294.09158	0.5
334.42502	0.2
335.54086	0.2
398.72427	0.2
415.14066	0.2
458.21097	0.2
519.18958	0.3
547.18219	51.3
548.18585	3.1
610.17468	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	22.8
65.10802	20.5
69.61049	92.5
72.12199	22.9
78.01707	23.0
90.70827	21.0
128.57301	25.1
277.21756	100.0
291.19833	39.4
292.69687	27.4
309.20801	54.8
398.22061	23.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81683	25.1
60.94360	28.1
61.98824	35.8
65.40351	26.8
69.23003	29.7
80.88126	25.7
94.12561	29.0
111.07098	27.2
112.02595	32.0
155.11366	31.6
159.92709	28.1
164.45323	30.0
169.74771	31.4
182.27068	29.7
277.21719	77.8
279.18423	28.6
279.23340	49.6
291.19669	33.3
297.93204	29.3
309.20624	100.0
515.55261	36.5
570.67657	31.3
603.10663	29.2
702.33948	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
92.64526	0.9
96.96011	32.1
109.02940	1.6
117.60900	0.7
121.02953	1.1
126.38023	0.7
133.02957	5.6
135.04526	1.9
144.24367	0.8
146.85251	0.7
163.04005	1.5
165.01900	2.4
175.04024	1.4
199.03979	1.2
201.01828	1.0
211.07504	0.7
213.05423	0.9
229.05150	0.8
240.04337	1.2
253.05180	0.8
255.06601	1.1
284.03751	0.8
285.04059	2.9
295.02667	0.8
297.04083	5.4
298.04794	3.8
299.05606	35.2
299.08990	1.8
300.05954	3.2
309.04190	1.3
311.05676	3.9
312.14307	0.8
327.05093	90.5
328.05573	6.1
339.05136	8.2
343.60968	0.8
352.99698	0.8
357.06152	27.7
358.06577	2.1
369.06091	2.0
429.08295	2.2
437.78836	0.9
447.09302	81.3
448.09741	4.9
527.05005	100.0
528.05334	7.2
529.05237	2.1
667.46521	0.9
836.86365	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5168
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	4.6
60.53905	1.9
67.48122	2.0
69.93520	1.9
71.01385	4.0
84.20580	1.8
97.02951	1.9
101.02433	3.2
113.02441	2.4
123.91750	1.9
232.20827	2.2
235.08305	6.5
247.20605	2.2
253.09276	11.5
264.60825	1.9
277.21732	100.0
278.22089	4.2
291.19632	22.6
309.20749	54.5
466.78366	2.0
534.42737	2.5
577.18347	2.4
783.20850	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	853.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
62.57074	0.6
71.01345	1.0
76.42863	0.6
83.05023	0.9
89.57464	0.7
94.02985	1.7
103.04311	0.6
108.04557	2.8
122.06122	9.4
130.46764	0.6
132.04558	0.8
134.06094	2.0
135.06882	0.7
136.03976	4.1
136.07681	9.1
138.05614	1.8
147.04515	0.8
147.05688	0.7
150.05618	9.9
152.07182	2.4
152.50215	0.7
165.05507	1.0
174.09306	1.1
174.45454	0.7
176.03528	0.8
186.09254	2.5
187.11357	0.8
190.05066	2.7
201.06714	2.6
202.07326	1.3
202.08980	0.8
202.12373	1.5
212.10847	1.7
214.07397	0.7
215.08266	2.3
228.10272	2.9
229.09816	12.8
230.12025	7.4
231.11456	1.6
239.08238	1.0
244.08360	1.2
245.09293	5.5
245.12810	1.1
255.11348	4.2
257.09311	5.9
258.10025	1.1
273.12445	22.8
275.10236	1.6
317.11420	13.5
324.43506	0.7
335.12466	100.0
336.12704	3.2
390.46191	0.7
394.58810	0.7
517.18323	9.7
518.18231	1.5
666.12128	0.7
793.30029	1.0
853.31445	2.2
884.97083	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24518	1.0
70.37878	2.2
73.45593	1.0
78.95904	5.3
81.20327	1.1
82.89438	0.9
110.98525	3.0
143.73001	0.8
148.80069	1.1
167.01071	1.7
185.02197	4.1
277.21716	100.0
278.22061	3.4
445.23593	46.7
446.23718	2.4
450.29675	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4667
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34070	15.7
69.34473	21.5
96.24247	6.0
98.22632	10.4
156.61588	6.3
171.10286	11.0
223.13353	5.8
247.13600	8.5
269.15564	6.8
277.21710	100.0
287.16534	26.1
291.19650	8.3
305.17603	15.7
322.81400	8.0
323.41544	7.4
431.30090	7.1
446.14777	7.1
527.55267	7.4
767.29065	8.6
801.47760	23.9
819.48340	9.8
855.46997	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
70.34217	23.7
72.34435	12.3
72.98574	11.1
79.02449	10.9
79.09803	10.4
120.24704	10.5
197.11778	21.2
202.69411	9.9
209.11787	41.8
277.21738	85.3
295.18552	10.9
305.17572	66.7
323.18561	26.3
541.26581	32.7
721.41064	13.7
801.47693	100.0
802.48199	17.9
819.48676	32.9
855.46368	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
65.85219	5.4
66.08647	5.6
67.34834	6.5
69.92756	14.0
69.93104	9.5
72.56945	5.7
75.42833	6.0
84.74630	6.1
108.45044	6.6
112.75771	6.5
118.67648	6.7
153.09288	7.6
171.10274	7.7
180.01285	6.4
197.11833	9.3
201.11278	7.8
205.86404	5.9
209.11887	18.4
235.08174	8.0
243.93953	5.5
253.09213	20.6
265.22186	7.3
277.21738	100.0
289.18246	14.5
303.68024	6.6
307.19131	58.3
325.20251	39.0
339.27307	6.1
460.02841	6.6
470.63995	7.4
525.27118	15.3
543.28186	31.3
734.42511	11.9
803.49640	73.6
821.50690	16.2
857.48096	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.483
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	14.7
83.56828	7.5
110.11844	7.3
134.31540	7.4
163.85452	8.1
171.10300	12.0
249.14879	15.2
253.09288	9.5
266.97400	7.8
277.21729	100.0
278.21896	11.9
289.18018	62.1
307.19235	8.2
389.37186	7.8
525.26959	12.7
850.85553	8.1
857.48602	53.3
883.63147	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	859.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01708	4.7
62.51079	1.7
67.62073	1.6
71.01381	73.6
72.99283	2.1
73.02946	38.9
83.01410	8.9
85.02946	16.4
87.00830	2.5
89.02445	52.4
95.01386	4.6
99.00912	2.8
101.02445	46.0
113.02448	31.3
119.03516	19.7
125.02451	2.5
131.03488	2.0
136.10107	1.8
138.02003	1.6
143.03531	4.6
149.04500	2.9
159.03036	2.6
161.04575	12.9
166.10516	1.7
173.09729	2.3
179.05644	6.3
189.12843	25.5
205.12392	5.1
207.13881	3.1
219.08414	2.1
220.21471	1.8
317.51468	1.7
369.19171	13.2
387.15475	2.6
387.20242	41.2
429.21283	100.0
430.21933	4.8
639.88177	2.1
705.01782	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90139	1.0
70.62761	1.2
71.01379	15.5
71.31294	1.0
73.02948	13.0
83.01393	3.3
84.40688	1.1
85.02950	4.1
89.02443	22.3
98.26405	1.1
99.00891	4.1
101.02440	16.6
113.02467	7.4
119.03491	3.5
131.03514	2.1
149.04576	7.1
161.04605	1.6
172.36551	1.1
196.76872	1.2
241.21968	1.1
260.18137	1.6
293.08743	1.2
301.21704	1.6
311.09744	2.1
430.85052	1.1
481.28452	2.2
523.29132	100.0
524.29547	5.1
589.92480	1.3
793.35486	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	864.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	6.4
73.59280	1.5
73.87475	1.7
83.05059	2.2
86.90147	1.6
89.02449	5.0
97.06617	3.0
98.21848	3.7
101.02440	5.0
113.02443	2.7
113.34650	1.6
121.92764	1.8
125.09747	2.4
153.09186	11.3
162.26372	1.5
163.11185	2.1
171.10271	14.4
174.44777	1.7
178.09998	2.9
185.11870	4.3
191.14432	1.9
197.11819	5.1
201.11359	7.2
209.09850	2.1
209.11832	36.9
210.14275	1.6
235.08147	2.9
245.19096	2.6
253.09285	15.4
257.82407	1.8
277.21722	100.0
278.22089	2.8
289.18057	14.2
307.19147	67.4
325.16290	3.0
325.20203	53.5
525.27362	6.3
543.28198	27.0
561.29132	7.3
734.41974	4.4
803.49310	25.7
804.50531	2.5
821.50446	5.0
840.14117	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	864.5115
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44620	2.8
73.62813	2.2
83.05050	2.8
90.82720	2.4
95.00262	2.3
97.06581	3.6
101.02446	4.4
106.75334	2.3
110.03799	2.5
111.04498	3.1
113.02477	3.3
123.60336	2.1
140.81931	2.0
144.69250	2.2
153.09261	6.2
154.84956	2.7
163.21648	2.3
171.10246	6.4
174.83418	2.5
201.11305	3.6
209.11823	9.7
235.08257	10.1
253.09341	12.1
277.21719	100.0
278.22079	3.1
289.18088	10.9
307.19119	22.1
325.20187	31.4
525.26941	5.2
543.27679	3.5
549.04022	2.7
734.41809	3.7
803.49719	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00305	1.1
69.43212	1.0
83.01397	2.8
85.29212	1.2
88.22726	1.1
92.64810	1.4
95.04996	1.3
107.05020	2.6
109.02960	10.9
121.02988	2.9
123.04550	7.3
125.02449	100.0
126.02762	3.0
133.02963	4.6
135.04504	5.0
137.02437	12.4
147.04562	1.6
149.00932	1.9
149.02402	3.1
150.59279	1.4
151.03990	9.1
159.04498	3.0
161.02451	33.8
161.06035	1.9
162.03004	2.0
163.00354	2.9
163.04001	4.4
164.01141	5.3
165.01915	5.7
173.06094	1.4
175.04013	10.1
177.01883	9.0
179.03482	3.7
187.03978	5.3
189.01984	1.9
199.04036	1.7
201.01718	1.8
201.05670	2.2
203.03473	2.1
203.07129	4.7
205.05025	2.8
213.05554	1.4
215.03322	1.3
217.05049	5.3
219.02998	4.0
227.03500	1.5
229.04962	2.4
231.02991	1.6
243.02954	14.7
243.06573	1.5
245.04597	10.1
245.08150	6.0
255.03018	6.5
256.03735	2.6
257.04260	1.4
261.03995	7.0
269.04538	3.5
271.34613	1.3
273.03961	1.8
281.04565	2.7
283.02527	2.6
285.03961	2.4
287.05630	27.5
288.05908	1.9
289.07187	22.3
290.07578	2.1
293.02914	1.6
299.05615	3.8
329.06284	1.5
336.32602	1.5
405.06058	4.1
407.07721	19.5
413.08615	7.3
423.07281	3.9
425.08890	11.5
449.08447	6.2
450.08832	1.3
451.10367	9.4
543.09412	2.9
575.11700	6.2
577.13470	8.8
578.13336	1.4
587.12085	2.3
612.79089	1.4
695.14044	5.0
713.14661	1.5
739.16748	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	865.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01901	0.9
69.12340	3.2
69.12750	1.2
81.03440	0.8
83.01372	3.7
93.03463	0.7
95.01427	0.7
95.05023	1.2
97.02954	1.9
105.03475	0.7
107.05003	1.8
108.02172	0.7
109.02958	11.5
117.03426	0.9
120.30595	0.6
121.02977	2.5
122.03735	0.7
123.04532	7.3
125.02447	100.0
126.02814	1.6
133.02954	4.8
135.04547	1.8
137.02440	13.5
139.04018	2.2
144.23973	0.7
146.03722	0.7
147.04495	1.1
149.02475	3.6
150.03209	1.6
151.04016	11.7
159.04527	3.4
161.01082	1.6
161.02441	31.1
161.06102	2.3
162.03195	1.6
163.00377	2.9
163.03983	4.1
164.01135	4.7
165.01949	5.3
167.03516	1.6
171.04471	0.6
173.06102	1.5
174.03246	1.2
175.03999	13.1
175.07567	0.8
176.01044	1.1
176.04678	0.7
177.01906	9.3
177.05478	1.1
179.03534	3.2
183.04573	0.9
187.04004	4.2
188.04765	1.6
189.01978	1.1
189.05313	0.6
191.03529	0.7
193.05038	1.2
193.44005	0.6
199.04019	2.9
201.01869	0.7
201.05554	1.8
203.03500	2.1
203.07132	4.6
205.01453	1.6
205.05067	3.9
211.04031	1.3
213.05443	0.9
215.03438	1.0
217.01625	0.6
217.05096	6.1
219.02986	3.6
219.06537	0.7
225.05615	1.2
227.03423	1.7
228.04227	1.0
229.05069	2.5
231.03018	1.4
243.02992	16.4
243.06656	1.9
244.03423	0.9
245.04576	9.8
245.08170	6.6
246.04948	1.2
247.06062	0.7
253.05139	1.0
255.02968	5.9
256.03809	2.8
257.04547	1.3
261.04028	4.8
269.04581	2.7
273.04071	2.0
277.19943	0.6
281.04639	2.3
282.01920	0.7
283.02551	1.1
285.04095	1.8
287.05600	23.6
288.06100	1.5
289.07159	21.6
290.07416	1.2
297.03964	0.8
299.05585	3.8
327.05045	0.7
339.08640	1.9
341.06656	1.6
405.06024	4.1
407.07660	20.8
408.08228	1.9
413.08884	6.3
423.07144	2.9
425.08807	11.6
426.08975	0.8
449.08804	6.6
451.10303	7.6
525.08038	1.0
533.10870	1.1
543.09509	3.7
559.12915	1.3
561.10529	2.1
575.11670	5.8
577.13367	9.3
578.14008	1.0
587.11780	3.7
642.47253	0.8
695.14160	5.5
713.15466	2.5
739.17010	1.8
865.20203	1.4
895.08752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
69.21336	11.3
76.01380	1.7
82.02963	2.1
96.00890	9.7
97.04073	2.5
98.02486	30.2
108.08185	2.1
108.90031	1.8
110.02484	4.3
111.05669	2.1
113.07220	45.4
114.05603	2.8
123.03282	2.1
125.02444	2.2
137.07193	2.4
138.05649	2.8
138.71471	1.7
139.05113	3.0
139.08757	2.0
141.06717	4.6
146.06137	2.7
149.07193	4.8
150.05544	2.4
151.05109	4.7
151.08865	2.2
152.07173	7.4
153.03070	3.9
153.06679	5.6
156.07777	2.6
164.07146	3.9
165.06601	3.3
166.09837	10.7
167.08273	8.1
169.09796	4.0
170.09274	2.5
173.90831	1.9
174.89636	2.1
184.10889	9.3
186.05568	2.8
187.05144	2.3
207.07770	4.7
210.08798	2.2
212.14067	6.5
222.16075	10.7
248.10448	11.7
250.11913	2.0
260.14035	6.5
265.16693	4.0
266.15207	2.2
275.13632	2.4
300.02789	2.3
309.15735	9.2
362.21967	9.6
380.22855	3.6
517.24261	15.4
760.37592	4.0
778.38599	3.2
820.41077	100.0
821.40790	5.2
838.42432	4.3
868.42975	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	873.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
62.09421	0.3
62.21408	0.3
65.00313	1.0
68.75628	0.3
68.99810	2.0
72.99310	6.5
78.86462	0.4
84.99295	0.5
87.00877	6.3
93.03454	0.9
98.22672	1.0
100.10064	0.3
108.72273	0.3
111.00866	1.8
112.51920	0.3
112.98067	0.4
112.98811	6.2
117.03452	3.8
118.47935	0.3
119.05023	36.6
121.02950	2.7
123.04504	0.6
127.00371	1.7
129.03453	1.5
130.04243	0.6
130.99846	1.9
131.05025	1.0
133.02956	1.3
133.06581	0.6
134.03580	0.3
143.04996	2.3
145.02954	22.5
147.04518	15.4
154.99864	0.8
159.04512	0.8
161.06075	4.3
163.04002	14.0
171.04518	1.4
175.04008	12.1
177.05531	0.5
189.05548	3.0
203.03496	50.9
204.03810	0.9
205.05034	2.0
215.03510	9.3
233.04587	2.3
259.02463	2.8
277.03522	100.0
278.03830	1.7
295.04428	0.5
311.05664	0.8
341.06757	0.4
342.00266	0.3
431.09818	1.0
484.75272	0.4
702.27112	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.339
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48841	2.6
71.01381	92.9
71.43537	3.5
73.02946	40.4
83.01393	14.8
85.02949	49.9
87.00868	5.7
89.02449	52.6
95.01392	5.9
97.02925	3.8
99.00879	30.7
101.02446	80.5
113.02442	33.4
125.02437	8.7
131.03439	13.0
143.03516	3.7
145.29004	2.6
146.47496	2.4
149.04567	45.6
157.33342	2.7
159.02945	7.6
161.04564	35.5
162.32555	3.0
163.11336	4.2
191.05589	13.1
205.12347	7.4
251.07703	5.2
262.54977	2.9
269.10309	81.7
293.08838	6.7
311.11392	100.0
355.10187	3.7
489.48721	3.3
517.22937	36.5
568.10614	2.7
835.66895	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	873.4781
Annotation	Unknow
Peak:m/z	Relative Intensity
67.67949	6.9
68.48029	6.2
70.67634	9.6
171.10165	8.0
253.09276	10.1
281.98001	7.7
291.19632	43.9
293.21295	9.8
307.19138	14.9
309.20670	100.0
545.29840	10.1
765.76776	7.2
873.47614	65.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
62.84426	1.1
66.03503	1.3
69.24117	5.5
73.04063	4.8
74.45622	1.2
83.02512	2.8
84.00881	2.2
86.41824	1.2
87.05600	5.5
87.39141	1.4
95.02505	5.9
97.04071	2.5
98.02456	1.5
99.02011	14.8
99.05569	1.7
103.10388	1.3
109.04083	7.8
111.02005	1.4
111.05672	1.3
112.05148	2.6
113.03582	12.6
113.07205	14.2
116.05107	2.5
119.05027	17.8
120.93904	1.1
123.05627	3.2
125.03534	1.7
126.06717	6.9
127.05132	12.6
129.64738	1.3
130.06198	7.8
136.11244	1.3
142.06595	4.3
144.07793	7.9
145.65359	1.3
149.31253	1.2
152.04556	1.2
152.08229	1.6
153.06691	13.7
156.04233	2.6
162.05580	4.5
166.06171	2.5
166.09911	1.2
170.05708	5.8
170.09340	20.0
172.90074	1.2
180.11571	1.3
181.13414	2.0
183.08891	6.9
184.07306	2.5
201.09972	6.2
202.05045	3.1
209.10435	5.5
209.12877	8.2
219.07834	1.8
223.08362	1.8
226.15674	1.6
227.07751	2.3
227.11351	5.5
241.13115	1.4
248.13971	1.7
258.12006	3.4
266.15302	1.1
273.13623	1.5
276.13470	7.9
279.18192	2.0
280.14093	4.1
281.12531	1.9
298.15259	6.0
305.16071	2.6
305.19730	1.8
333.15546	1.9
350.21854	3.3
372.20248	2.3
404.19244	2.7
407.24249	1.8
412.19299	2.3
611.23401	1.3
647.29468	1.6
711.34473	2.9
840.40430	100.0
841.40900	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	884.5013
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
69.54558	0.4
84.52499	0.1
98.22607	0.2
116.92863	0.1
277.21854	0.1
278.21988	0.2
676.75946	0.1
810.29767	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	887.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35700	1.8
71.01383	13.9
81.07089	5.3
83.05020	0.8
85.02959	3.2
87.00829	0.4
89.02446	14.6
94.04266	0.4
95.01398	1.1
95.05035	0.7
98.22640	0.6
101.02454	6.3
109.06590	6.4
113.02460	4.9
119.03510	5.5
121.02921	0.4
123.04530	16.7
123.27452	0.4
127.07655	36.6
127.41792	0.4
128.08000	0.5
137.95100	0.3
138.03229	6.7
143.03494	1.0
153.05577	100.0
154.05916	2.0
161.04518	2.1
171.06636	27.9
172.06969	0.6
173.11748	0.4
179.05606	13.7
187.11200	0.5
274.07162	0.4
333.11862	0.8
351.12750	0.6
405.13876	0.4
439.16077	76.8
440.16434	2.2
464.08304	0.4
474.03922	0.4
619.22424	49.7
620.22870	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	887.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98825	8.6
62.45503	4.1
71.01379	10.3
96.96020	11.1
101.02453	5.7
113.02407	5.8
125.09747	5.6
152.43018	4.2
153.09093	10.2
163.11325	7.7
165.12753	4.3
171.10300	29.7
185.11830	10.4
191.14323	4.5
197.11855	6.9
209.11821	43.5
215.01170	3.9
235.08302	6.5
245.19092	11.7
253.09305	16.2
287.16556	4.9
289.18152	54.6
291.19626	7.9
297.20563	4.6
305.17526	12.5
307.15826	8.2
307.19144	100.0
309.20670	12.1
325.20239	27.5
517.56049	4.6
543.28113	25.2
615.38977	5.2
691.16241	4.2
753.41577	5.2
764.40363	6.2
815.45178	10.1
833.47241	34.0
851.48053	22.0
887.45148	16.5
893.86816	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	889.4729
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	4.9
69.64084	5.4
69.64452	10.0
79.35441	3.1
89.02451	4.0
101.02477	6.0
109.49734	3.1
127.62802	3.2
153.09250	6.9
166.02238	3.0
170.75552	3.6
171.10318	7.8
209.11861	17.8
227.00812	3.2
235.08186	8.4
238.49301	3.1
253.06938	3.2
253.09138	17.4
289.18036	11.6
291.19653	49.9
307.15829	5.7
307.19110	61.0
309.20728	100.0
325.20197	32.6
325.75742	3.3
525.27069	4.4
527.28125	6.9
543.27997	22.1
565.85126	4.0
589.28766	3.2
604.87793	3.0
766.41412	4.2
835.48279	35.5
853.49640	16.6
889.47040	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4194
Annotation	Unknow
Peak:m/z	Relative Intensity
64.68806	0.6
68.99812	2.0
69.20913	3.0
72.99315	4.7
79.44675	0.6
80.38602	0.7
87.00868	4.9
95.13210	0.7
102.33082	0.7
111.00876	1.7
112.98814	4.9
117.03460	3.1
119.05027	32.3
121.02958	2.2
123.04516	0.8
125.02422	0.8
127.00345	1.4
130.99861	1.6
131.05025	1.0
133.02922	1.4
135.04506	0.7
143.05025	1.9
145.02957	20.7
147.04514	13.2
154.99767	0.6
161.06062	4.6
163.04001	13.7
171.04570	1.1
175.04018	11.4
189.05547	2.7
197.02264	0.6
199.37787	0.7
203.03502	46.4
204.03784	0.9
205.05023	1.7
211.30083	0.7
215.03494	8.1
219.06473	0.9
220.73801	0.7
233.04495	3.2
259.02490	4.7
277.03531	100.0
278.03772	2.1
289.44592	0.7
300.02835	1.0
441.08081	1.5
441.17844	1.5
463.08801	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01373	0.9
72.99290	0.5
83.01391	0.6
101.02452	0.6
107.01411	2.1
108.02166	0.7
109.02949	1.3
112.34744	0.4
113.02411	0.7
119.05033	1.7
121.02960	1.4
125.02505	0.7
145.02966	0.5
147.04568	0.6
148.01729	0.8
151.00371	6.0
163.00400	1.4
163.03954	1.0
173.89929	0.4
178.99875	3.2
199.03990	0.6
203.03494	2.3
204.03868	0.9
215.03500	0.6
226.02783	0.6
227.03511	1.5
243.02956	4.7
245.04544	0.7
254.02260	0.6
255.02997	11.8
271.02484	26.0
272.02945	1.7
273.03934	1.2
277.03488	3.3
278.03836	1.9
281.04807	0.7
283.02509	1.0
283.06110	2.3
288.45261	0.5
295.06363	0.5
299.02045	0.8
300.02750	70.4
301.03506	30.8
302.03958	0.8
311.05591	3.8
341.06577	0.6
430.14667	0.5
431.09952	4.1
443.19086	3.9
463.08835	100.0
464.09229	3.3
464.43246	0.6
665.74115	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.5062
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30561	3.5
69.94030	0.6
90.97110	0.7
96.96030	1.4
132.98192	2.7
174.99246	27.4
215.96024	1.2
216.77702	0.6
217.00291	100.0
405.31445	0.6
405.36783	0.6
715.44348	6.0
908.68994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
65.19739	0.4
69.32378	2.1
71.01364	0.5
79.01915	0.4
93.03468	0.5
97.59468	0.4
98.22591	0.9
117.03481	2.9
119.05036	0.7
121.02915	0.6
131.07735	0.4
135.04526	0.8
159.04475	0.6
161.02437	1.7
163.04036	0.8
179.95189	0.4
183.04562	0.6
191.03410	0.7
203.03452	0.6
211.07620	0.5
234.65964	0.5
239.07158	1.3
253.04922	0.5
268.03732	1.4
269.04535	5.1
281.04535	5.4
282.05334	3.0
283.06110	25.7
284.06360	1.0
295.06186	2.8
308.03238	0.8
309.04141	0.5
311.05615	52.5
311.64795	0.4
312.05936	1.5
314.04248	0.9
323.05582	4.7
325.07208	0.5
341.06659	23.7
353.06631	1.5
383.07651	0.7
413.08624	0.9
431.09814	100.0
432.10217	4.0
622.30005	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.205
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	1.9
71.44511	1.7
72.99314	4.5
74.83878	1.9
84.99292	3.5
87.00872	21.3
90.62318	1.8
93.03454	6.0
95.05018	1.6
99.00814	1.9
103.00353	3.0
105.03465	10.5
107.05030	2.1
108.02137	4.7
109.02950	20.8
111.00846	3.2
112.98817	51.5
119.05042	2.8
121.02938	3.7
122.03730	3.6
123.04517	2.1
125.02439	5.8
129.03508	1.9
130.99878	5.1
132.02171	4.3
133.02960	76.5
134.03754	31.8
135.04527	100.0
136.04822	2.5
137.02429	20.0
139.00378	9.9
139.03976	4.5
141.11244	1.8
143.61101	1.7
145.02876	2.3
147.04515	8.8
149.00926	40.7
149.02321	3.3
149.02518	3.0
151.03993	3.2
159.04422	3.8
160.01649	6.4
161.01086	2.5
161.02441	44.5
162.03230	4.1
163.03972	14.6
173.02412	4.4
175.03990	13.7
177.01927	34.9
177.05554	5.5
178.02693	19.8
179.02019	3.1
179.03502	42.7
191.03471	9.1
193.04977	1.7
203.03485	5.8
205.05028	2.6
219.02969	39.7
220.03540	1.7
231.02986	7.6
240.07832	2.7
241.08627	7.2
248.03259	5.2
251.07135	8.5
262.84140	1.7
269.08179	31.1
270.08655	1.8
275.01904	4.8
292.02151	6.7
293.03040	76.4
294.03217	2.1
295.06125	4.0
308.27313	1.6
309.02045	1.8
310.03351	13.8
311.04092	3.8
351.19269	1.8
563.17645	40.9
564.18036	2.9
568.55591	2.2
589.15588	7.4
607.16663	38.0
608.16919	2.3
721.16772	2.6
739.17523	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	901.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
70.75973	2.5
70.76287	2.6
72.99319	11.3
87.00880	26.3
90.15771	2.1
91.90219	1.9
93.03461	26.3
103.00407	2.9
107.05033	2.5
109.02982	5.8
112.98820	31.9
119.05042	6.9
121.02989	2.3
127.00408	2.1
130.99854	7.2
133.02957	17.8
134.03757	10.9
135.04527	88.6
136.04764	2.1
137.02460	5.0
139.00362	3.9
147.04518	24.0
149.00919	100.0
161.02435	15.7
163.04042	7.3
173.02399	3.9
175.03993	29.5
177.01999	5.9
178.02602	3.3
179.03496	50.1
191.03551	9.4
205.05035	3.3
219.02962	18.0
231.03075	2.7
232.76128	2.3
235.80849	2.4
239.07169	3.5
241.08652	6.9
251.07117	42.9
267.06668	3.2
269.08203	8.8
293.03061	35.2
295.06216	4.8
310.03262	3.6
311.04114	15.3
312.84045	2.3
563.17743	39.3
589.15527	22.2
607.16736	46.3
721.16504	6.1
739.17401	7.5
785.22083	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
68.96261	12.5
71.01366	14.4
79.62346	12.0
87.32505	11.0
98.21816	38.5
108.93413	14.6
171.10225	18.3
189.70532	13.3
197.11833	22.3
209.11821	69.1
225.11314	11.8
277.18109	13.3
287.16306	15.8
305.17712	60.9
307.19083	51.6
323.18738	29.2
325.20163	41.2
438.94540	13.6
524.89471	13.3
541.26495	36.8
543.28137	24.3
633.64575	13.3
668.13147	14.5
776.50952	15.4
798.40430	16.2
831.45129	68.1
849.47034	100.0
867.47021	34.6
903.45245	73.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99828	1.8
70.59595	1.9
72.99316	4.7
75.00956	0.9
84.99306	1.8
87.00881	13.4
93.03459	1.6
103.00393	2.8
103.40185	1.1
107.05013	1.6
109.02952	6.2
111.00862	1.7
112.98817	35.2
117.03441	2.0
119.05029	44.3
121.02975	2.2
127.00369	2.6
130.99858	3.6
131.05054	1.3
133.02959	10.7
134.03769	3.6
135.04529	71.0
136.04869	1.3
137.02437	4.5
139.00406	6.3
141.31345	1.1
145.02956	13.5
147.04517	9.4
149.00986	7.9
149.02144	1.8
150.83292	1.2
154.74161	1.2
159.04485	1.4
161.02428	16.1
161.06126	2.3
163.04004	95.3
173.02438	1.3
174.97369	1.0
175.03987	6.8
177.05492	3.3
179.03499	56.8
187.04031	1.3
189.05589	1.4
191.03487	5.6
203.03505	24.9
204.03786	1.8
205.05052	1.3
215.03552	2.8
219.02982	30.5
221.04486	2.0
231.03018	5.5
233.04640	1.4
259.02567	2.0
275.01993	1.9
277.03510	50.2
278.03873	1.7
284.03278	1.7
285.03909	3.4
293.03049	57.6
294.03482	1.4
295.04581	100.0
296.04764	1.7
297.04001	5.0
298.04730	3.1
311.03781	3.0
327.05118	12.3
339.05026	1.3
357.06085	9.5
447.09351	24.6
457.07822	2.5
766.69983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.4
73.02948	0.7
74.38261	0.3
98.21871	1.6
109.02926	0.4
112.98784	1.0
119.05022	0.9
121.02969	0.4
125.02457	0.7
131.01303	0.5
133.02957	4.6
134.03726	1.1
135.04514	0.8
137.02489	0.4
137.98799	0.3
145.02991	0.5
147.04463	0.4
151.00339	0.4
161.02452	1.1
163.00336	1.0
163.03943	1.0
165.01866	0.5
175.00331	1.0
175.03987	1.3
177.01932	0.6
201.01877	0.6
202.55647	0.4
203.03500	1.4
225.05476	0.5
241.05003	0.9
269.04617	0.9
270.05179	0.6
277.03513	2.6
281.04459	0.7
282.05374	0.7
284.03244	2.5
285.04016	5.8
297.04025	9.6
298.04819	41.8
299.05466	5.1
309.00452	0.8
309.04037	13.3
311.05646	2.2
325.03595	2.3
326.04230	2.7
327.05090	18.9
330.03751	2.0
337.03369	0.9
338.04263	2.8
339.05087	5.0
341.06595	1.3
351.04971	1.0
353.03009	0.7
357.06134	11.3
358.06235	0.6
369.06128	1.8
381.06290	0.7
399.07245	0.6
411.07138	1.1
429.08115	3.9
447.09262	7.3
448.09604	0.6
473.10901	14.1
474.11035	0.6
593.15112	100.0
594.15375	5.2
699.43622	0.4
709.70398	0.4
899.85999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00294	0.4
69.10445	0.4
70.82446	0.8
72.99320	5.3
74.43246	0.5
86.68620	0.4
87.00874	13.6
103.00373	2.2
105.01939	0.7
107.05054	1.4
109.02940	2.1
111.00876	0.8
112.98810	9.4
117.03473	1.1
119.05025	6.0
127.00319	0.6
130.99849	2.0
133.02960	2.2
134.03745	3.1
135.04524	65.8
137.02440	1.6
139.00380	1.8
143.04990	0.6
145.02945	4.0
147.04529	3.2
149.00916	100.0
150.01347	0.4
159.04526	1.0
161.02435	5.4
163.03993	6.2
171.09279	0.5
175.03963	2.4
177.05568	0.9
179.03491	78.9
180.03795	1.5
181.51538	0.5
187.03986	0.6
191.03537	2.5
194.02856	0.5
203.03516	6.4
205.05075	0.7
215.03540	1.0
219.02971	8.4
221.04539	0.6
231.02997	1.6
244.29301	0.4
275.02008	0.5
277.03531	7.0
293.03027	22.6
294.03342	0.6
311.04083	76.2
312.04355	1.9
375.06738	0.5
379.85345	0.4
399.72705	0.5
473.07254	3.1
703.89923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
69.72906	2.1
71.01382	27.5
73.02948	11.0
83.01388	4.6
85.02950	15.7
85.03467	0.8
87.00896	0.9
89.02439	4.0
89.97749	0.6
90.54863	0.5
95.01404	2.1
96.87410	0.6
97.02933	0.9
99.00867	3.0
101.02441	21.7
111.00870	0.6
113.02446	12.7
119.03501	1.8
125.02418	0.7
129.01961	0.6
137.09709	0.7
143.03488	2.0
159.02974	2.3
161.04544	8.3
181.18573	0.5
209.15454	5.9
215.20410	0.6
228.34692	0.5
229.06938	0.5
353.19659	26.4
354.20154	0.5
366.90604	0.6
371.20734	37.5
399.83966	0.5
413.21793	100.0
414.22168	1.4
481.95120	0.6
527.59613	0.6
591.16321	0.6
839.43799	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00315	0.3
65.45142	0.2
65.69592	0.2
88.65737	0.2
107.01384	0.4
108.02167	0.3
109.02974	0.4
112.65872	0.2
121.02969	0.4
125.02464	0.3
135.00859	0.3
151.00365	3.7
163.00388	1.0
163.03934	0.3
178.99852	2.5
190.02734	0.4
191.24467	0.2
216.04311	0.4
226.02716	2.6
227.03502	1.3
243.02969	6.0
244.03616	0.4
254.02219	2.6
255.03004	4.0
271.02484	29.9
272.03094	1.2
273.04086	0.3
299.01974	0.3
300.02759	45.3
301.03519	10.8
343.04715	0.6
463.08829	100.0
464.09213	2.6
664.64777	0.3
774.94153	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
63.97332	2.4
71.85789	2.5
73.04060	3.2
80.05038	2.8
82.02935	2.3
84.00906	2.2
93.03458	4.6
95.02512	22.4
99.02014	10.7
112.05167	8.1
113.03561	4.4
113.07205	20.2
119.05029	26.7
125.03543	3.6
127.05114	7.4
130.06198	5.8
149.45274	2.4
153.06691	7.8
155.08270	4.2
162.05602	10.4
167.11862	5.3
170.09355	37.7
179.08217	4.9
195.11351	9.4
201.06767	4.5
202.30246	2.5
204.55316	2.8
209.10406	11.9
210.69397	2.8
212.14011	9.2
222.12466	4.6
227.11513	5.1
258.20807	2.8
266.12527	4.1
284.13611	5.8
362.03079	3.1
372.16553	4.7
390.17749	5.6
459.06961	2.8
501.49747	3.0
692.34680	12.4
810.41406	3.6
824.63898	2.9
916.45679	100.0
917.45892	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	917.5162
Annotation	Unknow
Peak:m/z	Relative Intensity
67.91838	0.7
78.95902	14.7
96.96957	1.5
98.22674	2.4
152.99594	18.3
171.00610	1.8
175.81764	0.7
227.03300	2.1
245.04245	2.0
255.23285	100.0
256.23593	2.6
307.79694	0.7
406.24597	0.8
433.23682	2.0
483.27264	85.2
484.27798	2.9
527.84094	1.0
699.29938	0.8
772.71118	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
71.44769	1.4
72.99309	5.6
74.86507	1.1
87.00882	13.3
94.03966	1.0
103.00379	3.6
107.05081	1.8
109.02950	3.0
112.98803	12.2
119.05050	2.2
121.03010	1.4
133.02950	5.5
134.03770	3.3
135.04527	74.8
137.02469	1.3
139.00394	2.7
145.02861	1.3
149.00917	100.0
161.02492	6.0
163.03996	4.3
173.42366	1.1
175.04077	1.8
179.03494	79.3
191.03435	2.3
203.03445	2.9
219.02893	9.3
220.03206	1.2
231.03120	1.4
277.03574	4.9
293.03030	22.3
294.03320	3.0
311.04086	69.0
315.94882	1.1
327.05051	4.4
341.06586	2.7
357.06238	3.0
447.09286	6.5
448.09607	3.1
473.07120	4.6
579.90356	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28396	1.0
67.03001	2.9
70.02973	1.7
73.04054	2.8
81.04543	1.7
82.02983	3.8
84.00903	4.3
93.04596	7.4
95.02496	2.4
96.00919	20.0
96.85104	1.2
98.02441	2.2
99.01993	3.4
105.03327	1.7
106.04084	1.3
108.05688	4.3
109.04080	7.5
111.02028	1.5
113.03531	2.7
113.07217	7.9
118.04122	2.5
119.05038	11.8
119.98090	1.2
120.05659	3.3
123.05640	3.9
124.04033	6.2
125.03548	2.6
125.07210	1.1
127.05141	33.3
128.03529	6.8
129.10324	4.3
131.04922	3.7
131.47711	1.1
134.03581	3.8
136.05165	2.0
139.05089	2.5
139.08778	3.2
141.06691	3.5
141.10358	2.1
144.05627	1.5
145.06297	1.3
149.07164	1.5
151.08766	60.4
152.07173	1.5
153.06691	3.8
153.07814	1.8
155.08263	9.3
155.11919	1.4
157.05382	1.3
162.05606	19.6
164.04671	2.2
165.05428	2.1
166.06215	6.8
167.04651	9.8
167.08244	6.5
168.11414	16.2
169.09853	10.7
170.09335	27.2
179.08247	1.3
184.07315	5.9
186.12485	5.1
188.11935	11.4
192.07715	1.2
203.09380	1.8
205.06094	1.8
212.10350	3.6
221.14105	1.3
222.12459	2.9
231.12520	2.4
232.10927	11.4
240.13661	1.2
249.13664	2.3
252.13562	2.0
253.16771	1.2
265.16721	6.3
276.13504	21.0
279.14615	61.8
291.28699	1.2
297.15662	47.1
373.15045	3.7
389.21710	1.9
394.17255	16.7
435.58005	1.1
493.27490	1.5
548.09100	1.2
671.31696	5.1
825.42761	1.3
904.43231	7.0
922.44299	100.0
923.45032	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	927.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
70.66806	1.6
78.95908	20.2
88.98779	1.2
89.26177	0.9
103.02675	1.0
134.39206	1.0
140.01166	5.3
152.02574	1.0
152.99579	2.1
196.03818	10.8
214.04916	2.1
255.23296	100.0
256.23560	1.1
311.69580	1.1
312.93524	1.1
324.41174	1.2
452.27808	80.4
453.28174	1.7
569.39215	1.1
927.54974	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	929.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52498	0.5
70.87839	0.5
71.01381	6.3
73.02946	14.9
81.07092	4.6
83.01388	2.2
83.05040	1.0
85.02941	1.7
89.02435	1.6
91.02861	0.4
93.03478	0.5
94.04262	0.8
95.01415	0.9
95.05032	0.9
101.02447	9.4
103.28385	0.4
109.06592	5.6
113.02448	5.2
119.03469	1.1
123.04528	14.4
127.07660	31.8
131.03493	1.3
134.88542	0.5
138.03242	8.0
142.17288	0.5
143.03500	0.7
149.04565	2.2
153.05577	100.0
161.04552	5.4
171.06633	25.3
179.05652	0.8
221.06659	5.8
225.97986	0.5
317.71945	0.5
393.14169	0.7
439.16077	69.7
440.16199	1.1
481.17203	3.7
661.23486	42.5
662.23541	1.3
717.77692	0.5
895.43933	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	0.6
70.56991	0.6
70.57327	0.4
72.99310	4.8
77.78320	0.4
84.99326	0.5
87.00877	14.8
91.05530	0.5
103.00370	2.9
105.01922	0.7
107.05027	1.1
109.02956	2.3
111.00854	0.6
112.98808	10.0
117.03430	0.4
119.05018	4.0
127.00417	0.5
130.99863	1.9
133.02960	3.1
134.03737	3.8
135.04523	74.0
136.04858	0.9
137.02438	1.5
139.00385	2.6
145.02953	1.7
147.04512	1.4
149.00912	100.0
150.01274	0.8
161.02446	6.3
163.04007	9.0
175.04008	1.3
177.05542	0.8
179.03491	81.6
180.03886	0.6
187.04022	0.6
191.03523	2.3
203.03528	1.8
219.02966	11.7
221.04576	0.4
231.03023	1.5
275.01978	0.4
277.03558	1.7
293.03033	22.3
295.04584	2.6
311.04074	69.3
341.06665	0.5
365.58096	0.5
473.07288	4.1
518.71307	0.5
552.77808	0.4
876.00000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.6421
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27921	1.4
69.28326	0.6
74.30408	0.4
83.05042	0.6
93.56172	0.4
98.21379	0.5
106.38527	0.4
107.52563	0.4
225.16116	0.7
240.90102	0.4
261.07516	0.4
332.22446	0.4
437.27325	0.5
451.32779	1.0
546.47223	0.5
600.58337	0.4
656.54321	0.5
858.12463	0.4
903.66992	2.0
939.64197	100.0
940.64618	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	943.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
72.47932	0.8
80.37405	0.6
122.24521	0.7
253.56177	0.8
271.20462	1.3
384.02484	0.9
403.20200	0.8
452.14905	1.7
465.15521	1.3
480.14563	1.3
481.15018	3.9
495.16693	7.6
508.17572	0.8
513.61957	0.8
535.16077	1.5
536.16791	0.9
540.16345	2.7
551.19244	28.2
552.19330	1.2
554.18018	2.3
555.18427	1.0
572.15491	2.6
586.16980	2.3
595.18201	1.3
627.20947	100.0
628.21161	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	945.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40556	0.3
71.46092	0.3
76.77059	0.3
78.95905	49.4
86.29958	0.3
96.96956	6.2
112.56380	0.3
130.40848	0.3
139.03040	0.3
148.37292	0.3
150.97975	1.6
152.99585	100.0
171.00668	3.8
212.77202	0.3
277.21811	0.6
301.08310	0.3
431.22028	37.3
432.22430	0.5
627.20135	0.4
648.01520	0.4
821.31018	0.3
958.73108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95902	53.1
79.49575	0.1
96.96960	6.7
96.97594	0.3
101.57536	0.1
150.98003	2.0
152.99585	100.0
171.00630	4.2
277.21719	0.7
300.33591	0.2
318.13278	0.1
354.44263	0.2
431.22009	38.4
432.22366	0.5
448.76141	0.2
513.48657	0.1
733.22076	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6707
Annotation	Unknow
Peak:m/z	Relative Intensity
66.10085	0.6
69.23317	3.7
75.57931	0.6
80.06533	0.6
81.03455	3.1
83.05021	10.2
92.80758	0.6
107.50385	0.5
143.08258	0.7
207.15002	1.0
224.17697	1.8
225.16032	6.2
252.12749	0.5
407.39429	0.6
433.31927	1.2
450.34366	0.7
451.32837	6.7
484.88242	0.6
544.42023	0.6
567.46313	0.8
648.44714	0.6
677.50378	0.8
752.52478	0.7
759.36328	0.6
799.26398	0.6
885.64709	0.7
903.66547	100.0
904.67297	3.2
946.67065	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	947.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91551	0.5
72.99301	4.1
81.95073	0.6
84.99303	0.8
87.00876	12.0
88.90612	0.5
90.02412	0.5
103.00394	2.6
105.01951	0.6
107.05029	1.4
109.02943	2.6
111.00871	0.9
112.98810	8.0
118.51883	0.6
129.01936	0.7
130.99846	1.7
133.02977	1.6
134.03763	3.2
135.04527	63.2
136.04869	1.2
137.02483	1.3
139.00357	2.0
147.04541	0.7
149.00916	100.0
159.04521	0.7
161.02428	5.5
163.04037	3.2
177.05510	0.8
179.03494	75.1
187.03957	0.6
191.03526	2.0
216.99142	0.5
219.02988	9.2
219.04941	0.7
231.03050	1.3
275.01962	0.8
293.03040	21.0
294.03296	0.7
311.04086	73.6
312.04407	1.6
366.04071	0.5
439.08286	0.5
441.65237	0.4
452.06818	0.5
473.07492	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	947.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99786	0.5
69.30965	0.6
69.31366	1.3
72.99303	3.3
75.00880	0.4
84.99342	0.7
87.00880	13.2
98.21934	0.7
98.44446	0.4
103.00389	2.8
105.01936	0.8
107.05049	0.7
109.02917	2.0
111.00896	0.6
112.98805	9.0
117.03435	0.8
130.99864	1.1
133.02963	1.9
134.03754	3.5
134.36263	0.4
135.04527	67.2
137.02461	1.3
139.00378	2.2
147.04440	0.4
149.00916	100.0
150.01213	0.4
159.04532	0.5
161.02440	5.7
161.03691	0.5
163.03995	3.0
177.05603	1.2
179.03494	79.5
180.03864	1.0
185.29503	0.4
187.03999	0.5
191.03462	1.9
205.05002	0.5
219.02992	8.7
221.04434	0.4
231.03053	1.5
275.01990	0.5
285.42493	0.5
293.03052	24.7
294.03354	0.7
311.04083	82.7
312.04453	1.5
473.07199	4.4
953.34174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	947.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	52.6
73.02944	32.4
83.01396	3.3
83.98942	2.4
85.02952	17.3
87.00880	3.1
89.02451	31.2
95.01394	4.0
99.00887	2.5
101.02438	37.6
113.02461	26.3
119.03522	12.1
131.03560	2.7
143.03525	3.5
156.38133	2.2
159.41743	2.6
161.04541	16.0
162.90695	2.6
179.05634	5.1
189.12868	22.2
276.83295	2.5
332.01755	2.5
342.99011	3.2
369.19302	16.7
387.20203	38.6
429.21292	100.0
430.21640	2.7
479.83127	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	947.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.15197	1.6
69.47166	0.3
74.49410	0.3
78.95905	19.0
122.00144	0.8
130.33966	0.3
140.00220	0.4
140.01208	5.6
152.99576	1.7
171.28000	0.3
196.03804	8.4
214.04796	1.5
255.23293	100.0
256.23764	1.4
333.10516	0.3
386.95773	0.3
452.27823	85.8
453.28067	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	959.5499
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.3
78.95901	6.7
83.05011	0.2
104.97473	0.3
110.98524	4.4
122.88940	0.2
127.73062	0.2
152.99568	0.9
166.99895	0.2
167.01160	1.6
182.13281	0.3
185.02194	3.5
233.22661	0.4
259.20627	0.6
275.20139	0.4
277.21713	100.0
278.22076	1.2
288.89764	0.2
426.75116	0.2
444.22537	0.2
445.23578	52.9
446.23929	0.6
536.60358	0.2
924.49884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99820	0.6
72.99303	5.4
77.03973	0.9
79.16914	0.4
82.86775	0.4
84.99313	2.0
87.00876	16.4
87.60246	0.5
89.03951	0.7
95.05041	1.7
96.99306	0.6
97.01418	0.4
103.00382	3.6
104.26566	0.4
105.01925	1.2
105.03453	6.4
107.05033	2.5
109.02970	3.3
111.00877	0.5
112.98812	45.6
117.03474	0.9
119.05014	1.0
121.03021	0.8
123.04515	1.5
127.00368	0.5
130.99858	2.0
133.01897	0.5
133.02960	31.9
134.03751	7.0
135.04524	76.5
136.04832	0.5
137.02458	2.0
139.00385	2.0
145.02921	1.0
147.04520	3.0
149.00914	100.0
149.06082	1.2
151.04015	1.9
153.86644	0.6
158.03758	0.4
159.04501	1.5
161.02451	7.8
163.04048	3.6
163.77596	0.5
173.02406	0.9
174.03249	0.8
175.03984	3.8
177.01921	11.6
177.05582	1.2
178.53699	0.4
179.03493	88.9
180.03793	0.9
184.71928	0.4
187.04028	0.7
191.03490	4.3
193.05078	4.5
195.02934	2.4
203.03471	2.3
219.02968	13.3
231.02971	1.8
233.04468	2.1
235.02521	1.2
247.02373	1.2
265.03540	1.9
275.02081	1.0
291.01520	0.7
293.03040	27.3
294.03452	0.5
306.07895	0.5
307.04559	1.4
309.02481	0.7
311.04074	80.8
312.04300	0.7
325.05624	3.6
473.07233	5.3
562.12750	0.4
647.42798	0.5
957.94012	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.10670	0.4
69.11090	0.5
71.01385	0.2
73.37583	0.1
78.95904	5.6
83.05062	0.2
84.08490	0.1
104.97475	0.1
110.98535	4.0
120.00213	0.2
152.99570	1.0
167.01151	1.8
171.00584	0.2
182.13219	0.2
185.02196	3.9
201.63828	0.1
205.19627	0.2
233.22670	0.6
245.04305	0.4
259.20584	0.6
275.20178	0.6
277.21716	100.0
278.22092	1.0
379.67157	0.1
445.23584	50.6
446.23883	0.6
481.25699	0.9
482.26093	0.6
967.96088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99821	1.6
72.99293	4.0
84.99305	3.3
87.00875	16.7
88.01149	0.7
92.78891	0.8
95.05022	2.8
96.99316	1.3
103.00381	2.6
105.03457	7.7
107.05011	3.8
109.02953	9.2
111.00871	2.7
112.98810	77.9
113.99133	5.3
114.99220	2.1
119.05031	2.4
123.04520	2.6
127.00357	1.6
130.99869	3.0
131.05028	1.5
133.02959	50.2
134.03644	5.0
135.04524	96.4
136.04884	4.1
137.02437	5.1
137.61674	0.8
139.00388	8.6
145.75955	0.7
147.04521	3.5
148.05197	0.9
149.00917	81.9
149.06042	1.8
150.01263	2.8
151.03984	3.3
159.04495	3.2
161.01102	1.0
161.02441	19.1
163.04025	12.6
173.02419	1.4
174.03114	1.1
175.04015	7.2
176.04277	0.8
177.01939	14.0
177.05515	3.4
178.02272	3.6
179.03496	100.0
180.03854	5.7
181.04024	1.3
185.70416	0.8
187.04018	2.0
191.03474	9.9
192.03839	1.0
195.02953	9.3
203.03488	3.4
204.30962	0.8
205.05104	2.3
219.02980	43.2
220.03247	1.7
221.04512	1.0
231.03061	6.5
235.02444	1.3
236.02765	0.9
247.02522	2.1
248.02711	1.1
265.03329	1.4
266.03683	0.8
275.01877	2.3
293.03033	98.5
294.03506	3.9
295.06055	0.8
309.02493	5.1
311.04086	72.1
312.04398	7.6
313.04428	2.3
327.03510	8.7
363.24582	0.9
400.07117	0.9
422.43036	0.9
473.07095	2.8
825.86102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.63654	1.2
71.36880	0.5
81.03459	6.5
83.05029	13.1
96.96022	0.4
107.36983	0.4
108.04507	0.4
125.07207	0.5
126.05632	0.5
207.15074	0.9
224.17589	2.1
225.16086	9.8
242.18564	0.5
262.24771	0.5
267.40518	0.4
309.21814	1.0
341.29272	0.5
367.27231	0.7
433.31967	1.1
450.34521	0.9
451.32935	7.6
550.42426	0.6
567.45801	0.5
677.49817	1.5
679.59253	0.4
903.66565	100.0
904.67133	3.6
943.70081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.5364
Annotation	Unknow
Peak:m/z	Relative Intensity
70.52751	1.0
78.95901	29.1
96.96972	2.2
102.36995	0.6
116.35317	0.5
122.37599	0.5
152.99588	45.7
153.99916	0.9
171.00627	9.5
227.03235	3.7
245.04301	40.5
246.04716	1.7
247.04628	1.0
253.21709	15.6
254.22115	1.8
255.23286	100.0
256.23633	1.4
451.27969	0.6
481.25717	73.5
482.25964	7.9
483.27219	75.0
484.27615	1.7
735.19031	0.7
962.00092	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.6596
Annotation	Unknow
Peak:m/z	Relative Intensity
69.29394	14.7
81.03476	3.3
83.05013	4.5
95.26220	3.2
171.24628	3.3
173.67337	3.6
905.67365	19.0
906.67542	34.6
966.65991	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	967.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
69.82707	0.3
72.23663	0.2
78.47435	0.2
78.95905	8.0
81.53079	0.2
96.96954	0.5
132.71957	0.2
150.98064	0.2
152.99590	14.5
157.69908	0.2
171.00613	1.1
210.37024	0.2
227.03296	2.3
245.04291	1.2
255.23286	100.0
256.23636	1.6
358.99271	0.2
363.34457	0.2
483.27274	80.6
484.27682	1.5
496.26651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.6305
Annotation	Unknow
Peak:m/z	Relative Intensity
67.79172	0.4
69.84366	0.8
69.84689	0.5
71.01352	0.4
72.20921	0.4
171.10265	9.7
235.08380	0.5
244.20125	0.4
245.94092	0.4
253.09200	0.8
258.48898	0.5
277.21698	9.7
301.21719	100.0
302.22177	1.1
378.85760	0.5
455.62012	0.4
680.72125	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	0.5
71.41457	0.5
78.95901	10.0
93.24266	0.5
107.46184	0.4
140.01224	3.3
152.99573	1.3
181.98898	0.4
196.03824	1.3
214.04869	4.1
231.08099	0.5
234.50720	0.5
259.06812	0.6
277.21722	100.0
278.22043	0.9
341.57016	0.5
474.26230	58.2
475.26517	1.7
521.39130	0.5
654.17365	0.6
774.47424	0.6
823.33557	0.5
971.51178	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	975.5454
Annotation	Unknow
Peak:m/z	Relative Intensity
74.72504	0.5
77.07784	0.5
77.36330	0.4
78.95911	7.6
92.13712	0.5
98.42397	0.5
140.01204	2.5
152.99498	0.7
184.16812	0.5
196.03815	1.4
199.82878	0.5
207.44450	0.5
214.04846	3.3
279.23294	100.0
280.23618	1.2
319.60107	0.5
476.27811	49.3
477.28262	0.7
609.07562	0.5
975.54346	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	977.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44592	1.4
69.44974	2.1
71.01378	1.5
73.02967	0.7
78.97360	0.8
80.00771	0.7
85.02939	1.2
87.00861	0.9
89.02441	1.6
98.22710	0.8
101.02459	2.4
113.02457	1.4
117.03471	40.3
119.03572	1.2
119.05030	19.8
119.73882	0.8
121.02956	1.3
145.02957	100.0
146.03308	0.9
161.06071	2.2
163.04002	20.0
187.04007	1.3
205.05113	1.0
235.06064	1.1
259.43082	0.8
265.07349	0.8
289.07034	1.6
777.22418	2.2
793.03955	1.0
795.23706	8.8
941.07922	1.9
941.27173	41.0
942.27185	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	982.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01328	0.3
71.29316	0.4
78.95903	12.4
81.77066	0.2
81.80991	0.2
83.05035	0.5
96.96971	1.2
127.07687	0.4
152.99585	15.6
162.45035	0.3
171.00627	2.2
178.84283	0.3
227.03238	2.7
233.22806	0.8
245.04266	2.0
259.20514	0.4
275.20172	0.6
277.21710	97.9
278.22067	0.8
279.23340	2.1
320.62790	0.3
438.43106	0.3
476.27832	3.7
505.25723	100.0
506.25873	1.4
719.63416	0.4
1017.57141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08138	2.2
69.08546	2.3
72.99310	8.4
84.99330	1.9
85.02963	1.0
87.00344	1.4
87.00877	27.2
90.67990	0.8
98.22629	1.4
103.00397	3.8
105.01912	1.1
105.03483	0.7
107.05022	1.7
109.02951	5.2
111.00883	2.4
112.98809	30.5
117.03461	1.3
119.05038	0.8
121.02967	0.7
123.04505	0.7
126.61248	0.7
127.00400	0.6
128.95967	7.7
130.99879	4.7
133.02954	12.3
134.03749	10.0
135.04527	100.0
136.04897	1.7
137.02454	2.8
139.00404	6.1
140.92534	0.7
145.02939	0.9
147.04526	1.8
149.00920	90.3
149.06039	1.3
151.03990	1.0
159.04543	1.5
161.02446	52.5
162.02765	0.7
163.04021	8.0
173.02419	1.2
175.04042	1.1
177.01884	0.9
177.05562	2.5
179.03496	90.0
180.03862	1.4
186.96509	9.0
187.03958	2.0
189.01910	0.9
191.03508	6.2
204.99060	4.5
205.04979	1.1
216.99086	37.2
219.02982	25.9
220.03253	0.9
221.04529	2.1
231.00844	0.7
231.02888	3.1
249.04056	1.0
275.01840	1.5
286.99625	1.8
293.03027	62.2
294.03348	1.3
311.04065	46.3
312.04422	1.3
330.98633	15.2
348.99683	30.8
379.02170	3.3
444.97983	2.2
462.99417	4.1
473.07217	6.8
511.02838	56.4
512.03009	1.8
533.76361	0.7
558.30743	0.7
625.02386	1.1
661.04028	2.6
752.16748	0.7
823.07135	1.1
876.63538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	988.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
75.41240	0.7
78.95919	1.8
80.05064	3.7
83.05032	1.4
90.03509	0.8
92.05019	0.7
95.05026	0.6
96.04568	1.2
108.04551	8.7
122.62722	0.6
124.64050	0.6
126.05612	100.0
152.99603	2.2
171.62862	0.8
176.73917	0.6
191.56786	0.6
196.76962	0.7
205.12306	6.5
217.70946	0.6
219.13889	2.4
227.86377	0.6
245.04340	1.2
255.23291	2.8
256.23880	0.8
277.00681	0.6
285.18887	1.0
340.48901	0.6
346.20212	40.1
363.23834	0.6
420.37741	0.6
438.13354	0.7
457.48312	0.7
481.15152	7.6
481.25381	1.0
482.15988	1.0
483.27283	2.3
484.27121	0.9
495.16791	3.0
497.18134	1.1
540.16455	4.3
554.18231	1.5
555.18988	8.9
572.15692	4.7
586.17523	1.5
588.73535	0.7
627.20551	0.8
634.54565	0.7
641.22693	10.8
988.43506	77.5
989.44379	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	989.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
70.28642	1.1
74.69495	1.3
74.99056	2.0
78.95907	7.9
111.43374	1.4
120.58414	1.2
134.99367	5.3
136.97227	1.5
152.99597	9.5
161.06375	9.2
203.05579	4.7
205.03485	1.9
217.07207	100.0
218.07242	1.5
238.25269	1.3
245.04179	2.4
255.23273	39.0
285.13480	47.1
301.16583	43.6
370.24057	1.3
473.18042	1.3
481.25388	2.1
483.27304	30.4
496.13611	2.3
511.12341	1.6
512.13220	1.5
526.14691	5.0
555.28192	1.9
569.28540	1.4
613.19470	3.0
614.19653	1.6
674.48120	1.4
687.22601	2.7
989.39825	56.4
990.39874	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	990.592
Annotation	Unknow
Peak:m/z	Relative Intensity
74.46008	0.2
78.95903	7.4
96.96983	0.3
107.58234	0.2
122.00146	0.3
140.01196	1.6
152.99577	1.4
154.95621	0.2
171.00626	0.6
196.03734	1.1
214.04852	2.5
261.22205	0.3
277.21851	0.4
278.22043	0.2
279.23285	100.0
280.23694	1.3
319.62912	0.2
453.54346	0.2
476.27811	52.0
477.28098	1.3
508.10904	0.2
558.27014	0.2
754.49976	0.2
828.66309	0.2
928.78674	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
69.13681	1.2
71.01412	0.2
83.31414	0.3
95.03725	0.2
107.01443	0.3
125.02423	0.5
145.06607	0.2
151.00380	1.4
153.01967	0.4
173.02434	0.3
175.03976	0.2
178.99886	0.4
187.04065	0.2
199.04001	1.2
201.02061	0.4
204.04291	0.4
211.08734	0.2
215.01749	0.2
215.03540	1.3
215.29456	0.2
219.06448	0.3
226.02647	0.4
227.03578	1.4
242.02148	2.8
243.02979	18.4
255.02869	1.0
257.04559	5.2
270.01733	4.4
271.02487	18.8
272.02936	0.3
285.04059	11.4
286.04825	2.8
299.02002	6.0
299.05402	0.4
300.02783	3.4
314.04337	39.3
315.05087	6.8
315.08704	0.5
351.07092	0.3
357.06131	1.2
477.10385	100.0
478.10583	1.3
700.96332	0.2
739.93909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	991.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03444	0.7
71.01382	22.5
71.42480	0.6
73.02946	25.7
83.01389	6.3
85.02950	7.3
87.00893	0.9
89.02442	11.7
90.32277	0.5
95.01387	2.1
95.06598	0.3
97.02950	0.7
99.00896	1.9
101.02444	26.3
113.02449	13.3
118.73320	0.4
119.03505	5.2
121.61456	0.4
125.02444	1.2
131.03496	1.8
136.05333	0.4
139.07544	0.3
143.03481	2.6
149.04556	4.9
151.07634	0.6
152.08415	4.1
153.09203	0.7
159.03079	0.8
161.04556	8.2
163.11378	0.7
191.05576	0.7
203.05510	0.8
205.03978	0.5
205.12305	0.7
205.56178	0.4
207.13960	0.9
221.06642	2.5
225.15018	4.9
242.41013	0.4
284.78247	0.4
293.08679	0.4
319.10754	1.1
361.11652	0.5
369.19144	27.2
372.17792	0.7
387.20224	22.1
429.21277	100.0
430.21780	0.7
441.98102	0.5
517.22961	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	991.5792
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	0.2
78.95905	7.6
83.05041	0.3
113.06095	0.1
122.00105	0.3
127.07626	0.2
140.01195	2.5
152.99582	0.9
171.00662	0.1
182.13080	0.1
196.03790	1.3
196.05482	0.1
205.19533	0.1
214.04854	3.6
215.87180	0.1
233.22711	0.5
259.20636	0.6
275.20172	0.5
277.21713	100.0
278.22015	1.2
311.04309	0.1
352.41769	0.1
474.26221	67.3
475.26599	0.9
564.18262	0.1
619.33807	0.1
1010.62189	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	993.3974
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03446	3.5
70.47179	1.1
70.47497	1.8
71.01380	50.6
72.99303	1.3
73.02946	100.0
81.03435	1.4
83.00925	1.2
83.01389	24.0
85.02952	10.2
87.00872	2.8
89.02448	23.1
95.01374	3.9
95.42908	1.0
97.02933	2.2
101.02446	80.3
107.05042	11.5
111.04537	1.3
113.02451	31.2
119.03490	12.9
119.04982	1.7
122.15528	1.0
125.02424	4.0
128.33928	1.0
131.03496	8.7
135.04555	1.5
135.08142	1.9
137.06084	2.0
143.03496	9.2
147.08127	1.7
149.00949	1.4
149.04596	10.2
149.05995	8.7
155.03494	3.4
160.05371	1.2
161.04555	21.1
162.06812	1.0
163.11267	14.0
177.12845	1.7
179.05592	10.0
187.11296	4.2
189.05547	1.3
203.05594	4.0
205.12329	84.0
221.06624	2.8
223.13354	5.4
239.90341	1.0
268.47507	1.1
311.12903	1.4
341.13889	3.4
375.02805	1.0
427.19791	1.5
521.20251	15.3
545.26526	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5789
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02673	0.8
81.03442	0.6
81.07099	1.3
87.44575	0.2
95.05006	1.6
102.88174	0.3
107.05022	2.3
109.06625	1.2
135.08141	0.4
137.09729	1.8
169.11176	0.3
188.12161	0.4
189.12814	0.7
191.14413	0.7
203.14421	0.3
215.14372	1.0
221.09955	0.3
223.59241	0.3
243.17331	0.3
253.19611	0.9
255.17511	0.5
269.19138	0.8
271.20667	37.6
272.20847	0.5
279.23438	0.4
285.18777	0.3
303.19580	1.6
314.83707	0.3
315.19632	100.0
316.19913	1.5
397.13571	0.5
492.58322	0.3
681.37732	0.3
887.25513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6235
Annotation	Unknow
Peak:m/z	Relative Intensity
69.09407	1.2
78.95907	4.7
139.49237	0.2
140.01207	1.5
140.44292	0.2
152.99541	0.5
196.03795	1.0
214.04860	2.1
281.24854	100.0
282.25266	1.5
394.92651	0.2
395.72903	0.2
468.48087	0.2
478.29379	53.6
479.29922	0.5
700.25049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.5948
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	7.7
69.56007	0.7
69.56393	0.8
71.01384	17.3
71.05005	0.8
73.02937	3.3
74.05237	0.4
75.00835	0.4
81.03478	0.9
81.79833	0.4
83.01390	2.0
83.05024	0.7
85.02950	3.0
87.00878	4.3
89.02443	14.8
95.01388	1.1
96.07144	0.4
97.02965	3.2
99.00877	0.8
101.02444	13.8
111.04521	1.0
113.02439	6.6
119.03497	4.0
123.04545	0.4
125.02451	7.2
126.90400	0.4
131.03461	1.1
133.05092	0.6
135.83101	0.4
141.01825	0.4
143.03520	2.7
149.04396	0.5
151.26770	0.3
161.04546	3.6
167.03439	0.5
169.05112	0.6
172.72757	0.4
179.05627	3.7
181.43997	0.4
221.06647	1.2
235.08208	7.9
245.06584	0.5
247.20583	2.5
253.09294	1.2
259.20593	1.5
263.07745	0.8
275.23813	0.6
277.21725	48.1
278.22061	0.7
287.07700	2.8
303.92166	0.4
305.08817	3.5
318.17346	0.7
319.22769	38.9
320.23145	0.8
323.09912	1.1
325.81299	0.3
379.12488	0.8
397.13489	100.0
398.13623	0.7
415.14551	31.3
416.15060	0.6
492.46912	0.4
496.71909	0.5
675.35913	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	995.6108
Annotation	Unknow
Peak:m/z	Relative Intensity
75.14113	0.3
78.95906	6.8
106.72831	0.3
110.58241	0.3
140.01160	1.8
152.99612	0.9
196.03810	0.8
196.73389	0.3
214.04842	2.3
220.64230	0.3
279.23288	100.0
280.23560	1.6
348.46451	0.4
370.71231	0.3
476.27817	68.9
477.28192	1.2
688.02142	0.4
842.56006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	995.6111
Annotation	Unknow
Peak:m/z	Relative Intensity
69.12900	0.3
69.63423	0.9
78.95907	27.4
81.60991	0.3
114.21912	0.3
122.00161	1.1
128.26704	0.3
134.98576	0.3
140.01195	6.5
152.99622	2.1
171.00690	0.3
196.03801	10.9
214.04814	2.4
247.78038	0.2
261.22214	0.5
275.37149	0.3
279.23288	99.0
280.23679	1.6
334.78925	0.3
345.70996	0.3
352.46973	0.3
376.47522	0.3
476.27814	100.0
477.28168	2.1
750.43347	0.3
919.07257	0.3
END